#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b9l n GLN 3 N 0.00 1.62 -0.08 0.00 -0.06 -1.26 -5.05 117.38 112.55 1b9l n GLN 3 Ca 0.00 -4.11 0.00 0.00 -2.00 0.00 0.00 57.00 50.89 1b9l n GLN 3 Cb 0.00 -1.98 0.00 0.00 -4.06 0.00 0.00 30.24 24.20 1b9l n GLN 3 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1b9l n PRO 4 N 1.59 0.00 -3.47 3.69 -0.02 -1.26 -4.75 135.00 130.78 1b9l n PRO 4 Ca 0.25 0.00 -0.17 0.00 -2.02 0.00 0.00 63.50 61.56 1b9l n PRO 4 Cb 0.43 -0.40 -0.12 0.00 -0.02 0.00 0.00 33.50 33.38 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 0.16 -0.35 0.10 3.55 0.00 -1.26 -2.61 121.76 121.35 1b9l s ALA 5 Ca 0.00 0.25 -0.25 0.00 0.00 0.00 0.00 51.96 51.96 1b9l s ALA 5 Cb 0.00 -1.40 -0.07 0.00 0.00 0.00 0.00 23.12 21.65 1b9l s ALA 5 CO 0.00 -1.26 0.76 0.00 0.00 0.00 0.00 175.76 175.25 1b9l s ALA 6 N 2.35 3.42 -0.16 0.00 0.00 0.14 -4.77 121.76 122.73 1b9l s ALA 6 Ca 0.08 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.34 1b9l s ALA 6 Cb -0.16 -2.95 0.00 0.00 0.00 0.00 0.00 23.12 20.01 1b9l s ALA 6 CO -0.15 0.19 -0.15 0.42 0.00 0.00 0.00 175.76 176.08 1b9l s ILE 7 N -0.63 2.65 -0.16 0.00 1.01 -1.26 -1.68 121.20 121.14 1b9l s ILE 7 Ca 0.37 -0.77 -0.03 0.00 0.00 0.00 0.00 60.65 60.21 1b9l s ILE 7 Cb -0.22 -2.12 -0.03 0.00 0.01 0.00 0.00 42.46 40.10 1b9l s ILE 7 CO 0.24 0.51 -0.04 -0.63 0.00 0.00 0.00 174.94 175.02 1b9l s ILE 8 N 0.91 3.81 -0.06 2.92 1.01 0.10 -4.97 121.20 124.92 1b9l s ILE 8 Ca -0.03 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.29 1b9l s ILE 8 Cb -0.15 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 1b9l s ILE 8 CO -0.02 0.49 -0.24 -0.13 0.00 0.00 0.00 174.94 175.04 1b9l s ARG 9 N 0.42 2.54 -0.38 2.79 0.52 -1.26 -1.54 118.95 122.03 1b9l s ARG 9 Ca -0.04 -0.88 -0.05 0.00 -0.52 0.00 0.00 55.73 54.23 1b9l s ARG 9 Cb -0.14 -2.13 0.08 0.00 0.52 0.00 0.00 34.95 33.27 1b9l s ARG 9 CO 0.03 0.35 0.17 0.42 0.02 0.00 0.00 175.30 176.29 1b9l s ILE 10 N -0.10 3.62 -0.16 1.52 1.01 -0.11 -4.99 121.20 121.99 1b9l s ILE 10 Ca -0.05 -1.58 -0.18 0.00 0.00 0.00 0.00 60.65 58.84 1b9l s ILE 10 Cb -0.14 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 1b9l s ILE 10 CO 0.04 -0.45 0.49 -0.54 0.00 0.00 0.00 174.94 174.48 1b9l s LYS 11 N 1.30 4.27 -1.16 2.79 1.02 -1.26 -1.27 119.74 125.42 1b9l s LYS 11 Ca 0.02 0.42 -0.25 0.00 0.02 0.00 0.00 55.97 56.19 1b9l s LYS 11 Cb -0.22 -3.49 0.01 0.00 -0.52 0.00 0.00 37.83 33.60 1b9l s LYS 11 CO -0.01 0.02 0.76 0.09 -0.92 0.00 0.00 175.35 175.30 1b9l n ASN 12 N 4.17 -4.94 -4.61 2.83 5.03 -1.21 -4.90 115.26 111.63 1b9l n ASN 12 Ca -0.06 -1.10 -0.43 0.00 0.87 0.00 0.00 54.58 53.86 1b9l n ASN 12 Cb 0.51 -2.91 -0.02 0.00 -1.02 0.00 0.00 39.78 36.34 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 -6.75 3.69 -0.36 3.41 2.96 0.75 -4.82 118.68 117.57 1b9l s LEU 13 Ca 0.48 0.69 -0.17 0.00 -0.22 0.00 0.00 54.13 54.91 1b9l s LEU 13 Cb -0.20 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 42.94 1b9l s LEU 13 CO 0.89 -1.22 0.45 -0.13 -1.32 0.00 0.00 176.35 175.02 1b9l s ARG 14 N 4.42 3.54 0.22 1.98 0.52 -1.26 -0.17 118.95 128.20 1b9l s ARG 14 Ca 0.51 -0.32 0.02 0.00 -0.52 0.00 0.00 55.73 55.43 1b9l s ARG 14 Cb -0.10 -3.82 -0.05 0.00 0.52 0.00 0.00 34.95 31.50 1b9l s ARG 14 CO 0.29 -0.62 0.02 -0.51 0.02 0.00 0.00 175.30 174.50 1b9l s LEU 15 N 2.23 2.04 -0.01 2.53 1.02 -0.92 -5.03 118.68 120.54 1b9l s LEU 15 Ca 0.15 -1.25 0.04 0.00 0.02 0.00 0.00 54.13 53.10 1b9l s LEU 15 Cb -0.16 -0.14 -0.01 0.00 0.02 0.00 0.00 46.19 45.90 1b9l s LEU 15 CO 0.13 -0.58 -0.13 -0.13 0.02 0.00 0.00 176.35 175.65 1b9l s ARG 16 N -3.92 1.07 0.27 1.70 0.52 -1.26 -1.65 118.95 115.67 1b9l s ARG 16 Ca 0.30 -0.50 -0.20 0.00 -0.52 0.00 0.00 55.73 54.81 1b9l s ARG 16 Cb 0.06 -1.04 0.06 0.00 0.52 0.00 0.00 34.95 34.56 1b9l s ARG 16 CO 0.09 0.28 0.91 -0.08 0.02 0.00 0.00 175.30 176.52 1b9l s THR 17 N -0.36 0.00 -0.17 0.02 -1.32 -0.92 -4.60 115.64 108.29 1b9l s THR 17 Ca 0.05 -0.79 -0.18 0.00 -1.21 0.00 0.00 61.69 59.56 1b9l s THR 17 Cb -0.05 -2.72 -0.04 0.00 -1.51 0.00 0.00 72.50 68.18 1b9l s THR 17 CO -0.00 0.00 0.47 -0.36 -2.21 0.00 0.00 174.62 172.52 1b9l s PHE 18 N -2.48 3.42 -0.06 9.09 0.08 -1.26 -0.44 117.98 126.33 1b9l s PHE 18 Ca 0.17 0.77 -0.02 0.00 0.12 0.00 0.00 56.93 57.97 1b9l s PHE 18 Cb -0.04 -2.59 0.03 0.00 -0.57 0.00 0.00 43.02 39.86 1b9l s PHE 18 CO 0.08 0.02 0.05 0.42 -0.10 0.00 0.00 175.22 175.68 1b9l s ILE 19 N 1.20 0.03 0.00 0.64 1.01 -1.25 -1.03 121.20 121.79 1b9l s ILE 19 Ca 0.23 0.30 0.00 0.00 0.00 0.00 0.00 60.65 61.18 1b9l s ILE 19 Cb -0.15 -0.29 0.00 0.00 0.01 0.00 0.00 42.46 42.03 1b9l s ILE 19 CO 0.09 0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.81 1b9l n GLY 20 N 5.26 1.51 0.00 6.18 0.00 -0.54 -4.78 105.19 112.82 1b9l n GLY 20 Ca -0.04 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.87 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 -1.43 0.00 -2.07 -0.61 -0.00 -1.26 -4.56 119.36 109.44 1b9l n ILE 21 Ca 0.00 -0.20 -0.41 0.00 -0.00 0.00 0.00 62.75 62.15 1b9l n ILE 21 Cb 0.00 0.69 -0.02 0.00 -0.00 0.00 0.00 39.64 40.31 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 -1.30 4.31 0.25 6.28 1.02 -1.26 -4.76 119.74 124.27 1b9l s LYS 22 Ca 0.00 2.27 -0.05 0.00 0.02 0.00 0.00 55.97 58.21 1b9l s LYS 22 Cb 0.00 -3.05 0.45 0.00 -0.52 0.00 0.00 37.83 34.70 1b9l s LYS 22 CO 0.00 -0.24 1.35 0.39 -0.92 0.00 0.00 175.35 175.92 1b9l n GLU 23 N 0.74 -0.08 -0.16 1.68 -0.58 -1.26 -0.25 120.64 120.73 1b9l n GLU 23 Ca 0.00 1.33 -0.10 0.00 -0.42 0.00 0.00 57.16 57.98 1b9l n GLU 23 Cb 0.41 -2.02 0.02 0.00 -0.57 0.00 0.00 31.44 29.29 1b9l n GLU 23 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1b9l h GLU 24 N 0.00 0.98 -0.12 3.49 4.81 -1.97 -1.46 114.58 120.31 1b9l h GLU 24 Ca 0.43 -0.39 -0.09 0.00 -0.13 0.00 0.00 59.36 59.19 1b9l h GLU 24 Cb 0.71 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 1b9l h GLU 24 CO -0.87 1.06 -0.32 0.93 -0.73 0.00 0.00 179.01 179.08 1b9l h GLU 25 N 0.86 0.24 0.00 1.92 5.08 -0.88 -1.57 114.58 120.23 1b9l h GLU 25 Ca 0.13 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1b9l h GLU 25 Cb 0.72 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 1b9l h GLU 25 CO 0.06 0.53 -0.73 -0.84 -1.00 0.00 0.00 179.01 177.03 1b9l h ILE 26 N 0.21 0.22 0.00 3.13 3.07 -1.02 -3.35 117.51 119.77 1b9l h ILE 26 Ca 0.03 -1.36 -0.27 0.00 1.55 0.00 0.00 64.86 64.81 1b9l h ILE 26 Cb 0.67 1.87 -0.05 0.00 -0.27 0.00 0.00 36.82 39.04 1b9l h ILE 26 CO 0.05 0.12 -1.56 0.78 -1.05 0.00 0.00 178.15 176.50 1b9l h ASN 27 N 0.00 0.00 -4.12 2.16 2.35 -1.16 -3.47 115.58 111.33 1b9l h ASN 27 Ca -0.03 0.00 -0.60 0.00 -0.55 0.00 0.00 56.30 55.12 1b9l h ASN 27 Cb 1.16 0.00 -0.31 0.00 0.05 0.00 0.00 38.32 39.22 1b9l h ASN 27 CO 0.02 0.97 -0.85 0.20 -1.65 0.00 0.00 177.43 176.12 1b9l s ASN 28 N -6.18 2.43 0.62 5.81 -0.87 -0.60 -5.09 114.94 111.06 1b9l s ASN 28 Ca -0.03 -0.39 -0.16 0.00 -1.57 0.00 0.00 52.86 50.71 1b9l s ASN 28 Cb 0.08 -0.52 -0.02 0.00 -0.02 0.00 0.00 41.25 40.77 1b9l s ASN 28 CO 0.82 0.21 1.09 -0.13 -2.57 0.00 0.00 177.10 176.52 1b9l s ARG 29 N -0.20 3.08 0.32 -0.60 0.52 -1.26 -4.63 118.95 116.18 1b9l s ARG 29 Ca 0.01 1.33 0.10 0.00 -0.52 0.00 0.00 55.73 56.65 1b9l s ARG 29 Cb -0.11 -1.99 -0.06 0.00 0.52 0.00 0.00 34.95 33.31 1b9l s ARG 29 CO 0.01 -1.02 -0.13 -0.65 0.02 0.00 0.00 175.30 173.53 1b9l s GLN 30 N -4.01 1.77 -0.13 3.54 -0.21 0.41 -4.87 119.66 116.17 1b9l s GLN 30 Ca 0.66 -1.88 -0.19 0.00 0.02 0.00 0.00 55.36 53.97 1b9l s GLN 30 Cb -0.19 -1.72 -0.04 0.00 1.00 0.00 0.00 33.01 32.06 1b9l s GLN 30 CO 0.38 0.20 0.50 -0.51 -2.12 0.00 0.00 175.29 173.74 1b9l s ASP 31 N -3.58 6.68 0.07 5.90 1.01 -1.26 -2.17 116.67 123.32 1b9l s ASP 31 Ca 0.32 0.81 0.04 0.00 0.71 0.00 0.00 52.55 54.42 1b9l s ASP 31 Cb 0.00 -2.30 -0.03 0.00 1.01 0.00 0.00 42.92 41.61 1b9l s ASP 31 CO 0.16 -0.05 -0.12 0.27 0.21 0.00 0.00 175.17 175.64 1b9l s ILE 32 N 0.88 0.94 -0.11 0.77 -4.36 -0.66 -2.03 121.20 116.63 1b9l s ILE 32 Ca 0.26 -1.33 0.02 0.00 -0.26 0.00 0.00 60.65 59.34 1b9l s ILE 32 Cb -0.15 -1.03 0.01 0.00 1.25 0.00 0.00 42.46 42.54 1b9l s ILE 32 CO 0.11 -0.34 -0.17 -0.69 0.24 0.00 0.00 174.94 174.08 1b9l s VAL 33 N -1.56 1.65 -0.11 8.37 1.01 -0.72 -2.17 120.40 126.86 1b9l s VAL 33 Ca -0.02 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.20 1b9l s VAL 33 Cb -0.08 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1b9l s VAL 33 CO 0.01 0.47 -0.04 -0.63 0.00 0.00 0.00 175.10 174.91 1b9l s ILE 34 N 0.82 3.88 -0.10 2.22 1.01 0.76 -1.01 121.20 128.78 1b9l s ILE 34 Ca -0.09 -0.39 0.02 0.00 0.00 0.00 0.00 60.65 60.18 1b9l s ILE 34 Cb -0.16 -2.64 0.02 0.00 0.01 0.00 0.00 42.46 39.69 1b9l s ILE 34 CO 0.01 0.56 -0.14 0.20 0.00 0.00 0.00 174.94 175.57 1b9l s ASN 35 N -0.35 2.26 -0.11 3.58 -0.87 0.03 -0.18 114.94 119.30 1b9l s ASN 35 Ca 0.06 -0.38 0.03 0.00 -1.57 0.00 0.00 52.86 51.00 1b9l s ASN 35 Cb -0.12 -1.00 -0.00 0.00 -0.02 0.00 0.00 41.25 40.10 1b9l s ASN 35 CO 0.02 0.00 -0.23 -0.69 -2.57 0.00 0.00 177.10 173.64 1b9l s VAL 36 N 1.00 2.16 -0.18 1.60 1.01 -0.40 -1.45 120.40 124.16 1b9l s VAL 36 Ca -0.07 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1b9l s VAL 36 Cb -0.15 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.41 1b9l s VAL 36 CO -0.01 0.55 -0.18 -0.89 0.00 0.00 0.00 175.10 174.58 1b9l s THR 37 N 0.41 2.31 -0.06 3.92 2.01 0.14 -0.94 115.64 123.44 1b9l s THR 37 Ca -0.17 -0.87 0.04 0.00 0.31 0.00 0.00 61.69 61.01 1b9l s THR 37 Cb -0.17 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.36 1b9l s THR 37 CO 0.07 0.52 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.72 1b9l s ILE 38 N 1.17 1.48 0.05 1.82 1.01 -0.59 -0.13 121.20 126.01 1b9l s ILE 38 Ca 0.02 -0.72 0.07 0.00 0.00 0.00 0.00 60.65 60.01 1b9l s ILE 38 Cb -0.14 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 1b9l s ILE 38 CO -0.08 0.43 -0.16 -1.00 0.00 0.00 0.00 174.94 174.12 1b9l s HIS 39 N 0.19 2.60 0.03 3.97 3.76 0.10 -0.72 115.29 125.22 1b9l s HIS 39 Ca -0.08 -0.23 -0.27 0.00 -0.15 0.00 0.00 55.06 54.33 1b9l s HIS 39 Cb -0.13 -1.46 0.08 0.00 1.11 0.00 0.00 32.58 32.18 1b9l s HIS 39 CO 0.03 0.30 0.73 1.52 -0.85 0.00 0.00 174.74 176.47 1b9l s TYR 40 N -0.98 -0.52 -0.29 1.40 1.13 -0.67 -0.21 117.35 117.20 1b9l s TYR 40 Ca 0.16 0.59 -0.42 0.00 -1.41 0.00 0.00 57.07 55.99 1b9l s TYR 40 Cb -0.11 0.50 -0.17 0.00 -1.10 0.00 0.00 41.96 41.08 1b9l s TYR 40 CO 0.07 -0.66 1.65 -2.30 -2.51 0.00 0.00 175.55 171.80 1b9l n PRO 41 N 0.17 0.81 0.24 -3.49 -0.02 -1.26 0.25 135.00 131.70 1b9l n PRO 41 Ca -0.15 0.30 0.10 0.00 -2.02 0.00 0.00 63.50 61.72 1b9l n PRO 41 Cb 0.61 -1.92 0.67 0.00 -0.02 0.00 0.00 33.50 32.84 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 6.25 2.00 -0.16 3.55 0.00 -1.80 -2.94 119.26 126.15 1b9l h ALA 42 Ca -0.46 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1b9l h ALA 42 Cb 1.34 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1b9l h ALA 42 CO 0.94 -0.07 -0.02 0.38 0.00 0.00 0.00 179.25 180.48 1b9l h ASP 43 N 0.00 0.29 0.06 0.00 2.03 -1.89 -3.04 116.42 113.86 1b9l h ASP 43 Ca 0.03 -0.34 -0.01 0.00 -0.73 0.00 0.00 57.03 55.98 1b9l h ASP 43 Cb 0.10 -0.08 -0.00 0.00 -0.83 0.00 0.00 39.33 38.52 1b9l h ASP 43 CO -0.00 0.56 -0.04 0.11 -1.03 0.00 0.00 179.24 178.84 1b9l h LYS 44 N 0.01 0.00 -0.99 4.15 1.57 -1.91 -2.84 116.57 116.56 1b9l h LYS 44 Ca 0.04 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.90 1b9l h LYS 44 Cb 0.42 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.66 1b9l h LYS 44 CO 0.01 0.04 0.63 0.00 -0.57 0.00 0.00 179.45 179.57 1b9l h ALA 45 N 1.96 1.40 0.01 3.86 0.00 -1.51 -2.60 119.26 122.38 1b9l h ALA 45 Ca -0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.70 1b9l h ALA 45 Cb 0.08 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1b9l h ALA 45 CO 0.01 0.37 -0.91 -0.09 0.00 0.00 0.00 179.25 178.63 1b9l h ARG 46 N 1.11 0.10 -0.66 0.00 9.65 -1.60 -3.14 114.38 119.84 1b9l h ARG 46 Ca 0.44 -0.12 0.00 0.00 -1.10 0.00 0.00 59.98 59.20 1b9l h ARG 46 Cb 0.25 0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 1b9l h ARG 46 CO -0.20 0.93 0.00 2.41 2.80 0.00 0.00 179.97 185.92 1b9l n THR 47 N -3.56 0.00 0.15 0.20 -1.04 -0.98 -3.86 114.28 105.18 1b9l n THR 47 Ca -0.02 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.01 1b9l n THR 47 Cb 0.84 -0.34 0.14 0.00 -1.82 0.00 0.00 70.33 69.16 1b9l n THR 47 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 1b9l h SER 48 N 0.29 0.00 -0.91 8.00 0.87 -1.58 -1.36 113.55 118.87 1b9l h SER 48 Ca 0.00 0.00 -0.44 0.00 -1.23 0.00 0.00 61.79 60.12 1b9l h SER 48 Cb 0.33 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.03 1b9l h SER 48 CO 0.00 0.52 0.56 -1.84 -0.53 0.00 0.00 176.83 175.53 1b9l n GLU 49 N -3.39 2.50 0.07 2.24 0.28 -1.25 -4.34 120.64 116.75 1b9l n GLU 49 Ca 0.01 -2.90 0.00 0.00 -0.16 0.00 0.00 57.16 54.11 1b9l n GLU 49 Cb 0.66 -2.14 0.00 0.00 1.43 0.00 0.00 31.44 31.39 1b9l n GLU 49 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 1b9l n ASP 50 N -0.88 0.40 -4.95 -1.84 -0.08 -1.08 -5.12 116.55 103.00 1b9l n ASP 50 Ca 0.54 0.21 -0.24 0.00 -1.51 0.00 0.00 54.79 53.79 1b9l n ASP 50 Cb 1.57 -0.01 0.04 0.00 2.34 0.00 0.00 41.12 45.07 1b9l n ASP 50 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1b9l s ILE 51 N -2.00 2.84 -0.21 5.18 -4.36 -0.53 -5.06 121.20 117.06 1b9l s ILE 51 Ca 0.00 -0.42 0.12 0.00 -0.26 0.00 0.00 60.65 60.09 1b9l s ILE 51 Cb 0.00 -3.12 -0.21 0.00 1.25 0.00 0.00 42.46 40.38 1b9l s ILE 51 CO 0.00 -0.11 -0.03 -0.46 0.24 0.00 0.00 174.94 174.58 1b9l n ASN 52 N -2.53 0.92 -1.33 4.36 6.94 -1.26 -4.56 115.26 117.80 1b9l n ASN 52 Ca 0.07 -0.04 -0.02 0.00 -0.02 0.00 0.00 54.58 54.57 1b9l n ASN 52 Cb 0.59 0.52 0.01 0.00 -2.36 0.00 0.00 39.78 38.54 1b9l n ASN 52 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1b9l n ASP 53 N -2.87 4.37 -4.75 0.53 9.92 -1.26 -4.95 116.55 117.55 1b9l n ASP 53 Ca -0.35 -2.30 -0.36 0.00 -0.53 0.00 0.00 54.79 51.25 1b9l n ASP 53 Cb 1.06 -0.85 0.05 0.00 -0.64 0.00 0.00 41.12 40.74 1b9l n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1b9l s ALA 54 N -0.19 2.46 -0.09 2.24 0.00 -1.26 -4.96 121.76 119.96 1b9l s ALA 54 Ca 0.03 1.03 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 1b9l s ALA 54 Cb 0.03 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1b9l s ALA 54 CO 0.00 -1.33 1.32 -1.17 0.00 0.00 0.00 175.76 174.58 1b9l s LEU 55 N -4.26 4.25 -0.36 0.00 0.20 -1.26 -4.98 118.68 112.26 1b9l s LEU 55 Ca 0.78 1.87 -0.02 0.00 0.69 0.00 0.00 54.13 57.45 1b9l s LEU 55 Cb -0.31 -3.55 0.08 0.00 -0.43 0.00 0.00 46.19 41.98 1b9l s LEU 55 CO 0.36 -0.72 0.11 0.21 -0.29 0.00 0.00 176.35 176.02 1b9l s ASN 56 N 1.97 5.09 0.65 3.68 3.84 -1.26 -4.95 114.94 123.96 1b9l s ASN 56 Ca 0.59 -1.72 0.41 0.00 0.21 0.00 0.00 52.86 52.34 1b9l s ASN 56 Cb -0.26 -1.77 2.27 0.00 -0.55 0.00 0.00 41.25 40.93 1b9l s ASN 56 CO 0.21 -0.42 2.33 0.10 -2.79 0.00 0.00 177.10 176.53 1b9l h TYR 57 N 8.01 0.00 -0.30 0.43 -0.00 -1.99 -0.76 116.97 122.35 1b9l h TYR 57 Ca -0.16 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 58.39 1b9l h TYR 57 Cb 1.05 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.78 1b9l h TYR 57 CO 0.57 0.00 -0.52 0.00 -0.00 0.00 0.00 178.16 178.21 1b9l h ARG 58 N 0.00 0.87 -0.21 0.10 3.08 -1.99 -1.98 114.38 114.25 1b9l h ARG 58 Ca 0.00 -0.54 -0.15 0.00 0.07 0.00 0.00 59.98 59.36 1b9l h ARG 58 Cb 0.02 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1b9l h ARG 58 CO -0.00 1.17 -0.47 1.15 -1.07 0.00 0.00 179.97 180.75 1b9l h THR 59 N 0.68 1.31 -0.03 2.04 2.02 -1.61 -0.40 112.91 116.92 1b9l h THR 59 Ca 0.02 -1.70 0.02 0.00 0.77 0.00 0.00 66.41 65.53 1b9l h THR 59 Cb 1.12 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 69.36 1b9l h THR 59 CO 0.12 0.53 -0.10 0.58 0.37 0.00 0.00 175.52 177.02 1b9l h VAL 60 N 0.38 0.73 0.25 3.16 2.07 -1.24 -0.43 116.25 121.18 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 1.08 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1b9l h VAL 60 CO 0.10 0.00 -0.25 0.74 0.02 0.00 0.00 177.57 178.19 1b9l h THR 61 N -0.16 0.47 -0.69 2.57 2.02 -1.32 -0.59 112.91 115.22 1b9l h THR 61 Ca 0.05 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.34 1b9l h THR 61 Cb 0.22 0.47 -0.12 0.00 -1.74 0.00 0.00 68.15 66.98 1b9l h THR 61 CO -0.13 0.00 -0.36 0.50 0.37 0.00 0.00 175.52 175.90 1b9l h LYS 62 N -0.53 -0.13 -0.83 6.66 3.64 -0.69 0.20 116.57 124.90 1b9l h LYS 62 Ca -0.01 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1b9l h LYS 62 Cb 0.49 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 1b9l h LYS 62 CO -0.06 -0.08 0.54 -0.91 -2.27 0.00 0.00 179.45 176.67 1b9l h ASN 63 N -0.13 0.96 -0.45 4.20 2.35 -0.71 -0.94 115.58 120.86 1b9l h ASN 63 Ca 0.25 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1b9l h ASN 63 Cb 0.56 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.67 1b9l h ASN 63 CO -0.75 0.70 0.26 0.40 -1.65 0.00 0.00 177.43 176.39 1b9l h ILE 64 N 1.12 1.14 0.73 2.81 2.04 0.91 -1.34 117.51 124.93 1b9l h ILE 64 Ca 0.30 -0.34 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1b9l h ILE 64 Cb -0.12 0.56 0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1b9l h ILE 64 CO -0.06 0.15 -0.35 0.40 0.00 0.00 0.00 178.15 178.28 1b9l h ILE 65 N 0.59 0.26 -0.33 -0.67 2.04 -0.62 -0.24 117.51 118.54 1b9l h ILE 65 Ca 0.16 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 66.05 1b9l h ILE 65 Cb 0.01 0.28 -0.08 0.00 -0.74 0.00 0.00 36.82 36.29 1b9l h ILE 65 CO -0.03 0.00 -0.19 -0.61 0.00 0.00 0.00 178.15 177.33 1b9l h GLN 66 N -1.02 -0.14 -0.61 2.37 4.15 -1.14 -0.75 115.11 117.98 1b9l h GLN 66 Ca -0.10 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.29 1b9l h GLN 66 Cb 0.76 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.46 1b9l h GLN 66 CO 0.17 -0.09 0.22 1.25 -1.93 0.00 0.00 178.83 178.45 1b9l h HIS 67 N -0.14 0.95 -0.16 3.99 2.76 -1.18 -2.59 115.15 118.78 1b9l h HIS 67 Ca 0.17 -0.08 -0.08 0.00 -2.20 0.00 0.00 60.37 58.18 1b9l h HIS 67 Cb 0.40 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 29.08 1b9l h HIS 67 CO -0.40 0.77 -0.21 0.28 -1.30 0.00 0.00 177.93 177.07 1b9l h VAL 68 N 0.86 1.35 0.00 5.26 2.07 -0.33 -3.30 116.25 122.16 1b9l h VAL 68 Ca 0.20 -1.41 -0.13 0.00 0.82 0.00 0.00 66.70 66.18 1b9l h VAL 68 Cb 0.24 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1b9l h VAL 68 CO -0.01 0.42 -0.61 -0.33 0.02 0.00 0.00 177.57 177.05 1b9l h GLU 69 N 0.06 0.00 -0.94 1.57 5.08 -1.21 -3.27 114.58 115.87 1b9l h GLU 69 Ca 0.02 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 58.14 1b9l h GLU 69 Cb 0.77 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.87 1b9l h GLU 69 CO 0.05 0.61 0.31 0.09 -1.00 0.00 0.00 179.01 179.07 1b9l n ASN 70 N -3.64 3.55 -3.54 1.42 5.03 -0.98 -4.93 115.26 112.17 1b9l n ASN 70 Ca -0.01 -2.88 -0.11 0.00 0.87 0.00 0.00 54.58 52.45 1b9l n ASN 70 Cb 0.65 -0.68 -0.04 0.00 -1.02 0.00 0.00 39.78 38.69 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 -0.41 0.31 -0.00 6.41 -0.87 -1.24 -5.01 114.94 114.14 1b9l s ASN 71 Ca 0.34 -1.18 0.06 0.00 -1.57 0.00 0.00 52.86 50.52 1b9l s ASN 71 Cb 0.28 0.66 -0.02 0.00 -0.02 0.00 0.00 41.25 42.15 1b9l s ASN 71 CO 0.07 -1.29 -0.20 -0.13 -2.57 0.00 0.00 177.10 172.99 1b9l s ARG 72 N -3.38 1.56 -0.02 -0.60 0.52 -1.26 -4.33 118.95 111.44 1b9l s ARG 72 Ca 0.24 -0.76 0.06 0.00 -0.52 0.00 0.00 55.73 54.75 1b9l s ARG 72 Cb -0.01 -1.55 -0.01 0.00 0.52 0.00 0.00 34.95 33.90 1b9l s ARG 72 CO 0.14 0.42 -0.19 -0.06 0.02 0.00 0.00 175.30 175.62 1b9l s PHE 73 N -0.54 1.75 -0.11 -0.53 0.40 -0.20 -5.02 117.98 113.73 1b9l s PHE 73 Ca 0.08 -0.34 -0.27 0.00 -0.60 0.00 0.00 56.93 55.80 1b9l s PHE 73 Cb -0.08 -1.13 -0.26 0.00 0.51 0.00 0.00 43.02 42.06 1b9l s PHE 73 CO -0.00 -0.04 0.85 0.66 0.70 0.00 0.00 175.22 177.39 1b9l h SER 74 N 5.69 0.11 -4.63 1.36 4.64 -1.84 -1.43 113.55 117.45 1b9l h SER 74 Ca -0.38 -0.94 -0.32 0.00 -0.47 0.00 0.00 61.79 59.68 1b9l h SER 74 Cb 1.14 -0.04 -0.22 0.00 -0.31 0.00 0.00 62.40 62.98 1b9l h SER 74 CO 0.48 1.05 -0.75 -0.76 -0.87 0.00 0.00 176.83 175.98 1b9l s LEU 75 N -8.24 2.25 0.28 5.97 1.02 -1.26 -3.14 118.68 115.55 1b9l s LEU 75 Ca -0.17 -0.54 0.01 0.00 0.02 0.00 0.00 54.13 53.44 1b9l s LEU 75 Cb -0.02 -0.28 0.57 0.00 0.02 0.00 0.00 46.19 46.48 1b9l s LEU 75 CO 0.72 -0.15 1.82 -0.07 0.02 0.00 0.00 176.35 178.69 1b9l h LEU 76 N 4.53 0.85 -0.71 1.79 3.38 -1.97 -1.25 115.31 121.93 1b9l h LEU 76 Ca -0.37 0.06 0.08 0.00 0.09 0.00 0.00 57.88 57.74 1b9l h LEU 76 Cb 1.20 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.78 1b9l h LEU 76 CO 0.41 0.42 0.38 -0.33 0.09 0.00 0.00 178.44 179.41 1b9l h GLU 77 N 0.91 0.65 -0.11 1.13 3.07 -1.98 0.12 114.58 118.36 1b9l h GLU 77 Ca 0.50 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.30 1b9l h GLU 77 Cb 0.56 -0.15 -0.00 0.00 -0.84 0.00 0.00 28.75 28.32 1b9l h GLU 77 CO -0.29 0.43 -0.00 0.87 -1.40 0.00 0.00 179.01 178.61 1b9l h LYS 78 N 0.67 0.20 -0.38 2.33 6.56 -1.66 -1.95 116.57 122.34 1b9l h LYS 78 Ca 0.33 -0.07 0.04 0.00 -1.06 0.00 0.00 60.65 59.89 1b9l h LYS 78 Cb 0.28 -0.02 -0.04 0.00 -0.57 0.00 0.00 32.23 31.88 1b9l h LYS 78 CO -0.22 0.46 0.17 1.25 -2.06 0.00 0.00 179.45 179.04 1b9l h LEU 79 N -0.08 0.22 -0.60 2.94 5.85 -1.20 -0.54 115.31 121.90 1b9l h LEU 79 Ca 0.03 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1b9l h LEU 79 Cb 0.37 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 1b9l h LEU 79 CO 0.01 0.17 0.28 0.74 -0.34 0.00 0.00 178.44 179.29 1b9l h THR 80 N 0.35 1.22 -0.13 1.05 2.02 -0.76 -1.94 112.91 114.72 1b9l h THR 80 Ca 0.17 -0.63 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1b9l h THR 80 Cb 0.11 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 1b9l h THR 80 CO -0.14 0.25 0.07 -0.61 0.37 0.00 0.00 175.52 175.46 1b9l h GLN 81 N 0.83 0.18 -0.72 6.66 5.75 -1.00 0.19 115.11 127.00 1b9l h GLN 81 Ca 0.21 -0.02 0.09 0.00 -0.15 0.00 0.00 58.65 58.78 1b9l h GLN 81 Cb 0.14 -0.03 -0.07 0.00 1.07 0.00 0.00 27.48 28.59 1b9l h GLN 81 CO -0.02 0.20 0.36 -0.44 -2.65 0.00 0.00 178.83 176.28 1b9l h ASP 82 N 0.11 0.48 -0.11 -0.69 5.19 -1.00 0.10 116.42 120.49 1b9l h ASP 82 Ca 0.04 0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.49 1b9l h ASP 82 Cb 0.08 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.55 1b9l h ASP 82 CO -0.01 0.28 -0.03 0.58 -3.12 0.00 0.00 179.24 176.94 1b9l h VAL 83 N 0.62 1.29 -0.52 -1.35 2.07 -1.00 -2.48 116.25 114.88 1b9l h VAL 83 Ca 0.35 -0.96 0.10 0.00 0.82 0.00 0.00 66.70 67.01 1b9l h VAL 83 Cb 0.35 1.70 -0.09 0.00 -1.52 0.00 0.00 31.29 31.73 1b9l h VAL 83 CO -0.26 0.27 -0.05 0.25 0.02 0.00 0.00 177.57 177.81 1b9l h LEU 84 N -0.10 -0.32 -0.32 2.57 5.85 0.29 0.19 115.31 123.46 1b9l h LEU 84 Ca 0.03 0.14 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1b9l h LEU 84 Cb 0.44 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.69 1b9l h LEU 84 CO 0.01 -0.12 0.08 0.44 -0.34 0.00 0.00 178.44 178.51 1b9l h ASP 85 N 0.07 0.05 -0.73 1.25 3.32 -0.83 -0.25 116.42 119.30 1b9l h ASP 85 Ca 0.26 0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.43 1b9l h ASP 85 Cb 0.40 0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.96 1b9l h ASP 85 CO -0.48 0.06 0.48 0.40 -1.72 0.00 0.00 179.24 177.99 1b9l h ILE 86 N 0.20 1.01 -0.23 0.35 2.04 -0.52 -2.34 117.51 118.02 1b9l h ILE 86 Ca 0.15 -0.26 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 1b9l h ILE 86 Cb 0.15 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1b9l h ILE 86 CO -0.18 0.14 -0.17 0.00 0.00 0.00 0.00 178.15 177.94 1b9l h ALA 87 N 1.61 0.34 -0.39 1.87 0.00 0.93 -3.26 119.26 120.36 1b9l h ALA 87 Ca 0.32 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1b9l h ALA 87 Cb 0.28 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1b9l h ALA 87 CO -0.11 0.24 0.01 2.89 0.00 0.00 0.00 179.25 182.29 1b9l n ARG 88 N -4.44 3.58 -0.12 0.00 1.85 -0.42 -4.48 116.66 112.62 1b9l n ARG 88 Ca -0.04 -2.11 -0.07 0.00 -1.00 0.00 0.00 57.85 54.62 1b9l n ARG 88 Cb 0.38 -2.01 0.09 0.00 -1.05 0.00 0.00 32.46 29.87 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 2.62 0.86 -6.98 2.89 4.81 -1.48 -3.45 114.58 113.86 1b9l h GLU 89 Ca 0.01 -0.30 -0.50 0.00 -0.13 0.00 0.00 59.36 58.43 1b9l h GLU 89 Cb 1.51 -0.06 0.05 0.00 0.63 0.00 0.00 28.75 30.88 1b9l h GLU 89 CO 0.34 0.94 0.47 -1.58 -0.73 0.00 0.00 179.01 178.45 1b9l s HIS 90 N -4.78 3.01 -2.00 0.92 2.46 -1.26 -4.94 115.29 108.69 1b9l s HIS 90 Ca -0.10 1.56 0.14 0.00 0.47 0.00 0.00 55.06 57.13 1b9l s HIS 90 Cb 0.13 -3.33 0.83 0.00 -0.13 0.00 0.00 32.58 30.08 1b9l s HIS 90 CO 0.84 -1.27 1.30 -2.39 -2.47 0.00 0.00 174.74 170.75 1b9l n HIS 91 N -0.25 0.00 0.00 3.88 1.44 -1.26 -2.86 115.22 116.17 1b9l n HIS 91 Ca 0.06 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.83 1b9l n HIS 91 Cb 0.48 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.47 1b9l n HIS 91 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 1b9l n TRP 92 N -0.83 0.34 -1.67 -1.40 7.02 -1.26 -4.94 117.44 114.70 1b9l n TRP 92 Ca 0.10 0.10 -0.44 0.00 -1.02 0.00 0.00 57.50 56.24 1b9l n TRP 92 Cb 0.05 -0.76 -0.04 0.00 -2.42 0.00 0.00 31.31 28.14 1b9l n TRP 92 CO 0.00 0.00 0.00 0.28 -2.02 0.00 0.00 177.69 175.95 1b9l n VAL 93 N -2.52 0.70 -0.05 -0.99 0.31 -1.14 -4.27 118.33 110.38 1b9l n VAL 93 Ca -0.09 -0.13 -0.20 0.00 -0.01 0.00 0.00 64.34 63.91 1b9l n VAL 93 Cb 0.70 -2.16 -0.13 0.00 -0.91 0.00 0.00 33.84 31.35 1b9l n VAL 93 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1b9l n THR 94 N 5.39 1.67 -3.80 2.52 -1.04 0.70 -4.91 114.28 114.82 1b9l n THR 94 Ca 0.21 -0.60 -0.12 0.00 -2.04 0.00 0.00 64.05 61.49 1b9l n THR 94 Cb 0.37 -1.64 -0.11 0.00 -1.82 0.00 0.00 70.33 67.13 1b9l n THR 94 CO 0.00 0.00 0.00 -0.47 -0.64 0.00 0.00 175.07 173.96 1b9l s TYR 95 N -2.54 -0.20 -0.03 -1.42 5.04 -1.19 -2.15 117.35 114.86 1b9l s TYR 95 Ca -0.27 0.47 -0.02 0.00 -2.44 0.00 0.00 57.07 54.81 1b9l s TYR 95 Cb 0.08 0.07 0.02 0.00 0.35 0.00 0.00 41.96 42.47 1b9l s TYR 95 CO 0.70 -0.18 0.07 0.00 -1.34 0.00 0.00 175.55 174.79 1b9l s ALA 96 N -0.29 -0.10 -0.01 3.97 0.00 -0.87 0.02 121.76 124.48 1b9l s ALA 96 Ca -0.04 0.29 0.02 0.00 0.00 0.00 0.00 51.96 52.23 1b9l s ALA 96 Cb -0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 23.12 22.89 1b9l s ALA 96 CO 0.01 -0.07 -0.06 -2.00 0.00 0.00 0.00 175.76 173.64 1b9l s GLU 97 N 0.52 0.51 -0.07 0.00 2.12 0.81 -0.60 118.70 121.99 1b9l s GLU 97 Ca -0.04 -0.20 -0.02 0.00 0.36 0.00 0.00 54.97 55.07 1b9l s GLU 97 Cb -0.06 -0.50 0.03 0.00 0.26 0.00 0.00 34.13 33.87 1b9l s GLU 97 CO -0.02 0.11 0.03 0.08 -0.54 0.00 0.00 175.26 174.91 1b9l s VAL 98 N -0.03 0.22 -0.11 3.70 1.01 -0.41 -0.68 120.40 124.09 1b9l s VAL 98 Ca 0.01 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 1b9l s VAL 98 Cb -0.04 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 1b9l s VAL 98 CO -0.00 0.19 -0.06 -0.70 0.00 0.00 0.00 175.10 174.52 1b9l s GLU 99 N 2.03 3.21 -0.14 2.72 2.12 -0.53 -2.04 118.70 126.08 1b9l s GLU 99 Ca 0.05 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 54.83 1b9l s GLU 99 Cb -0.13 -2.73 0.03 0.00 0.26 0.00 0.00 34.13 31.56 1b9l s GLU 99 CO -0.05 0.44 -0.11 0.42 -0.54 0.00 0.00 175.26 175.42 1b9l s ILE 100 N -0.21 1.38 -0.16 -3.70 1.01 -0.45 -0.79 121.20 118.28 1b9l s ILE 100 Ca 0.03 -0.57 -0.17 0.00 0.00 0.00 0.00 60.65 59.94 1b9l s ILE 100 Cb -0.13 -1.35 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 1b9l s ILE 100 CO 0.03 0.38 0.43 -1.81 0.00 0.00 0.00 174.94 173.96 1b9l s ASP 101 N 1.56 6.56 -0.59 3.58 1.11 -0.18 -1.61 116.67 127.10 1b9l s ASP 101 Ca 0.04 0.67 -0.12 0.00 0.18 0.00 0.00 52.55 53.32 1b9l s ASP 101 Cb -0.13 -2.26 0.15 0.00 1.07 0.00 0.00 42.92 41.75 1b9l s ASP 101 CO -0.09 -0.03 0.51 -0.75 1.18 0.00 0.00 175.17 175.98 1b9l s LYS 102 N 0.91 2.92 0.16 8.23 2.20 0.02 -1.76 119.74 132.42 1b9l s LYS 102 Ca 0.22 -1.97 -0.33 0.00 -0.36 0.00 0.00 55.97 53.53 1b9l s LYS 102 Cb -0.15 -4.16 -0.13 0.00 -1.51 0.00 0.00 37.83 31.89 1b9l s LYS 102 CO 0.08 -1.26 1.69 1.28 -0.36 0.00 0.00 175.35 176.78 1b9l n LEU 103 N 4.69 3.62 -3.75 5.43 4.32 -0.86 -2.97 117.00 127.47 1b9l n LEU 103 Ca -0.04 1.06 -0.28 0.00 -0.02 0.00 0.00 56.01 56.73 1b9l n LEU 103 Cb 0.42 -1.50 0.02 0.00 -1.62 0.00 0.00 43.42 40.74 1b9l n LEU 103 CO 0.44 -0.02 -0.12 1.41 -1.22 0.00 0.00 177.39 177.88 1b9l n HIS 104 N 4.11 -1.85 0.02 -1.77 8.25 -0.82 -4.78 115.22 118.39 1b9l n HIS 104 Ca 0.17 0.61 -0.02 0.00 -0.26 0.00 0.00 57.72 58.22 1b9l n HIS 104 Cb 0.32 -3.71 -0.10 0.00 1.12 0.00 0.00 29.99 27.63 1b9l n HIS 104 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1b9l n ALA 105 N -4.24 1.85 -2.61 -1.41 0.00 -1.18 -4.80 120.51 108.11 1b9l n ALA 105 Ca -0.19 -0.60 -0.33 0.00 0.00 0.00 0.00 53.44 52.32 1b9l n ALA 105 Cb 0.63 -0.91 -0.14 0.00 0.00 0.00 0.00 19.45 19.03 1b9l n ALA 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1b9l s LEU 106 N -5.81 2.61 0.47 0.00 2.01 -1.26 -5.06 118.68 111.65 1b9l s LEU 106 Ca -0.04 -0.28 -0.21 0.00 0.01 0.00 0.00 54.13 53.62 1b9l s LEU 106 Cb 0.09 -1.53 -0.08 0.00 0.01 0.00 0.00 46.19 44.67 1b9l s LEU 106 CO 0.82 0.30 1.06 0.00 1.01 0.00 0.00 176.35 179.53 1b9l s ARG 107 N -0.45 3.82 0.00 1.70 1.70 -1.26 -3.03 118.95 121.43 1b9l s ARG 107 Ca 0.05 1.44 0.00 0.00 -0.47 0.00 0.00 55.73 56.76 1b9l s ARG 107 Cb -0.12 -2.19 0.00 0.00 -0.57 0.00 0.00 34.95 32.07 1b9l s ARG 107 CO 0.02 -0.43 0.00 0.66 -1.08 0.00 0.00 175.30 174.47 1b9l n TYR 108 N -0.79 0.00 -4.49 5.89 4.01 -1.26 -5.00 117.16 115.51 1b9l n TYR 108 Ca 0.09 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.61 1b9l n TYR 108 Cb 0.51 -0.36 -0.14 0.00 -0.31 0.00 0.00 39.34 39.04 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 -2.55 1.21 0.20 -0.72 0.00 -1.17 -5.06 121.76 113.68 1b9l s ALA 109 Ca 0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 51.96 51.10 1b9l s ALA 109 Cb 0.00 -0.24 0.14 0.00 0.00 0.00 0.00 23.12 23.02 1b9l s ALA 109 CO 0.00 0.26 1.87 -0.44 0.00 0.00 0.00 175.76 177.45 1b9l h ASP 110 N 5.27 0.83 -5.64 0.00 5.19 -1.95 -3.40 116.42 116.72 1b9l h ASP 110 Ca -0.37 -0.03 0.26 0.00 -0.62 0.00 0.00 57.03 56.28 1b9l h ASP 110 Cb 1.17 -0.21 -0.06 0.00 0.18 0.00 0.00 39.33 40.42 1b9l h ASP 110 CO 0.46 0.60 0.76 -0.94 -3.12 0.00 0.00 179.24 177.00 1b9l s SER 111 N -5.86 -0.00 -0.02 6.45 1.04 -1.26 -1.93 113.70 112.11 1b9l s SER 111 Ca -0.13 -0.40 0.02 0.00 0.48 0.00 0.00 55.95 55.92 1b9l s SER 111 Cb 0.14 0.30 -0.00 0.00 0.10 0.00 0.00 66.02 66.57 1b9l s SER 111 CO 0.77 -0.60 -0.08 0.54 0.98 0.00 0.00 173.24 174.85 1b9l s VAL 112 N -2.13 0.69 0.23 5.02 0.11 -1.16 -4.91 120.40 118.25 1b9l s VAL 112 Ca 0.25 -0.34 0.06 0.00 -2.93 0.00 0.00 61.98 59.02 1b9l s VAL 112 Cb -0.01 -0.61 -0.05 0.00 -1.53 0.00 0.00 36.38 34.18 1b9l s VAL 112 CO 0.02 0.21 -0.08 -0.94 -3.33 0.00 0.00 175.10 170.98 1b9l s SER 113 N 0.05 2.35 -0.10 3.54 1.04 -1.26 -0.80 113.70 118.52 1b9l s SER 113 Ca -0.00 -1.12 0.01 0.00 0.48 0.00 0.00 55.95 55.32 1b9l s SER 113 Cb -0.06 -0.10 0.02 0.00 0.10 0.00 0.00 66.02 65.98 1b9l s SER 113 CO 0.00 -0.33 -0.11 -0.32 0.98 0.00 0.00 173.24 173.46 1b9l s MET 114 N -3.73 1.78 0.05 4.02 1.75 -0.63 -4.96 119.30 117.57 1b9l s MET 114 Ca 0.25 -0.39 0.08 0.00 -1.25 0.00 0.00 55.69 54.37 1b9l s MET 114 Cb 0.03 -1.61 -0.03 0.00 2.84 0.00 0.00 34.83 36.06 1b9l s MET 114 CO 0.08 -0.11 -0.20 0.99 -0.65 0.00 0.00 175.02 175.13 1b9l s THR 115 N 1.15 2.64 -0.01 10.11 2.01 -1.26 -1.34 115.64 128.95 1b9l s THR 115 Ca -0.05 -1.25 -0.06 0.00 0.31 0.00 0.00 61.69 60.63 1b9l s THR 115 Cb -0.14 -2.10 0.00 0.00 0.01 0.00 0.00 72.50 70.27 1b9l s THR 115 CO -0.03 0.33 0.13 -0.76 -0.69 0.00 0.00 174.62 173.60 1b9l s LEU 116 N -1.43 1.57 0.19 4.42 1.43 -0.86 -5.00 118.68 119.00 1b9l s LEU 116 Ca 0.14 -0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 53.11 1b9l s LEU 116 Cb -0.10 0.61 -0.04 0.00 0.03 0.00 0.00 46.19 46.68 1b9l s LEU 116 CO 0.05 -0.31 0.10 -0.94 0.23 0.00 0.00 176.35 175.48 1b9l s SER 117 N -1.11 0.45 -0.02 2.29 1.04 -1.26 -1.29 113.70 113.80 1b9l s SER 117 Ca -0.12 -1.33 -0.03 0.00 0.48 0.00 0.00 55.95 54.94 1b9l s SER 117 Cb -0.07 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.36 1b9l s SER 117 CO 0.01 -0.78 0.08 0.86 0.98 0.00 0.00 173.24 174.39 1b9l s TRP 118 N -4.03 -0.03 0.35 5.02 -0.00 0.23 -4.99 118.94 115.50 1b9l s TRP 118 Ca 0.34 0.07 0.09 0.00 -0.00 0.00 0.00 56.10 56.61 1b9l s TRP 118 Cb 0.07 -0.01 -0.06 0.00 -0.00 0.00 0.00 33.47 33.47 1b9l s TRP 118 CO 0.10 -0.10 -0.05 -0.65 -0.00 0.00 0.00 176.95 176.25 1b9l s GLN 119 N -0.36 1.91 0.00 5.86 -1.52 -1.26 -2.04 119.66 122.24 1b9l s GLN 119 Ca -0.04 -1.91 0.00 0.00 -1.95 0.00 0.00 55.36 51.46 1b9l s GLN 119 Cb -0.03 -1.76 0.00 0.00 -0.22 0.00 0.00 33.01 31.00 1b9l s GLN 119 CO 0.00 0.11 0.00 0.54 -0.25 0.00 0.00 175.29 175.69