#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 0.75 -0.18 0.00 -0.06 -1.26 -5.06 117.38 111.57 1b9l n GLN 3 Ca 0.00 -3.38 0.00 0.00 -2.00 0.00 0.00 57.00 51.62 1b9l n GLN 3 Cb 0.00 -1.47 0.00 0.00 -4.06 0.00 0.00 30.24 24.71 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 1.79 0.00 -3.67 3.69 -0.02 -1.26 -4.74 135.00 130.79 1b9l n PRO 4 Ca 0.24 -0.06 -0.26 0.00 -2.02 0.00 0.00 63.50 61.40 1b9l n PRO 4 Cb 0.50 -0.99 -0.17 0.00 -0.02 0.00 0.00 33.50 32.82 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 1.34 0.65 -0.06 3.55 0.00 -1.26 -2.34 121.76 123.64 1b9l s ALA 5 Ca 0.00 -0.40 -0.21 0.00 0.00 0.00 0.00 51.96 51.35 1b9l s ALA 5 Cb 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1b9l s ALA 5 CO 0.00 -1.07 0.60 0.00 0.00 0.00 0.00 175.76 175.29 1b9l s ALA 6 N 2.02 3.42 -0.22 0.00 0.00 0.81 -4.78 121.76 123.03 1b9l s ALA 6 Ca 0.01 0.01 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 1b9l s ALA 6 Cb -0.16 -2.80 0.01 0.00 0.00 0.00 0.00 23.12 20.17 1b9l s ALA 6 CO -0.08 0.01 -0.09 0.42 0.00 0.00 0.00 175.76 176.02 1b9l s ILE 7 N 0.43 2.84 -0.22 0.00 1.01 -1.26 -1.47 121.20 122.54 1b9l s ILE 7 Ca 0.32 -0.78 -0.07 0.00 0.00 0.00 0.00 60.65 60.12 1b9l s ILE 7 Cb -0.17 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 1b9l s ILE 7 CO 0.16 0.39 0.07 -0.63 0.00 0.00 0.00 174.94 174.92 1b9l s ILE 8 N 1.38 4.52 -0.09 2.92 1.01 0.38 -4.95 121.20 126.36 1b9l s ILE 8 Ca 0.04 -0.11 0.03 0.00 0.00 0.00 0.00 60.65 60.60 1b9l s ILE 8 Cb -0.15 -3.08 -0.01 0.00 0.01 0.00 0.00 42.46 39.23 1b9l s ILE 8 CO -0.06 0.39 -0.18 -0.13 0.00 0.00 0.00 174.94 174.96 1b9l s ARG 9 N 1.04 2.99 -0.44 2.79 0.52 -1.26 -0.80 118.95 123.79 1b9l s ARG 9 Ca 0.04 -0.77 -0.10 0.00 -0.52 0.00 0.00 55.73 54.39 1b9l s ARG 9 Cb -0.14 -2.43 0.09 0.00 0.52 0.00 0.00 34.95 32.99 1b9l s ARG 9 CO 0.03 0.32 0.29 0.42 0.02 0.00 0.00 175.30 176.39 1b9l s ILE 10 N 0.03 4.30 -0.10 1.52 1.01 -0.13 -5.00 121.20 122.82 1b9l s ILE 10 Ca -0.06 -1.48 -0.20 0.00 0.00 0.00 0.00 60.65 58.90 1b9l s ILE 10 Cb -0.15 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1b9l s ILE 10 CO 0.05 -0.59 0.57 -0.54 0.00 0.00 0.00 174.94 174.43 1b9l s LYS 11 N 1.42 4.38 -0.85 2.79 1.02 -1.26 -2.20 119.74 125.03 1b9l s LYS 11 Ca 0.04 0.62 -0.03 0.00 0.02 0.00 0.00 55.97 56.61 1b9l s LYS 11 Cb -0.24 -3.44 0.00 0.00 -0.52 0.00 0.00 37.83 33.63 1b9l s LYS 11 CO 0.02 0.11 0.64 0.09 -0.92 0.00 0.00 175.35 175.29 1b9l n ASN 12 N 3.74 -5.45 -4.57 2.83 5.03 -1.19 -4.90 115.26 110.75 1b9l n ASN 12 Ca -0.05 -0.80 -0.43 0.00 0.87 0.00 0.00 54.58 54.17 1b9l n ASN 12 Cb 0.51 -2.53 -0.04 0.00 -1.02 0.00 0.00 39.78 36.70 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 -5.00 4.06 -0.29 3.41 2.96 0.67 -4.85 118.68 119.64 1b9l s LEU 13 Ca 0.06 0.23 -0.16 0.00 -0.22 0.00 0.00 54.13 54.04 1b9l s LEU 13 Cb -0.03 -3.15 -0.03 0.00 0.50 0.00 0.00 46.19 43.49 1b9l s LEU 13 CO 0.87 -0.93 0.42 -0.13 -1.32 0.00 0.00 176.35 175.25 1b9l s ARG 14 N 3.51 3.89 0.09 1.98 0.52 -1.26 -0.55 118.95 127.13 1b9l s ARG 14 Ca 0.35 -0.02 0.02 0.00 -0.52 0.00 0.00 55.73 55.56 1b9l s ARG 14 Cb -0.11 -3.70 -0.04 0.00 0.52 0.00 0.00 34.95 31.61 1b9l s ARG 14 CO 0.22 -0.38 -0.06 -0.51 0.02 0.00 0.00 175.30 174.59 1b9l s LEU 15 N 2.15 2.50 -0.03 2.53 1.02 -0.79 -5.03 118.68 121.02 1b9l s LEU 15 Ca 0.16 -0.99 0.07 0.00 0.02 0.00 0.00 54.13 53.39 1b9l s LEU 15 Cb -0.16 -0.06 -0.02 0.00 0.02 0.00 0.00 46.19 45.98 1b9l s LEU 15 CO 0.11 -0.46 -0.24 -0.13 0.02 0.00 0.00 176.35 175.64 1b9l s ARG 16 N -3.76 2.12 0.14 1.70 0.52 -1.26 -1.66 118.95 116.75 1b9l s ARG 16 Ca 0.11 -0.87 -0.25 0.00 -0.52 0.00 0.00 55.73 54.19 1b9l s ARG 16 Cb 0.05 -1.97 0.07 0.00 0.52 0.00 0.00 34.95 33.62 1b9l s ARG 16 CO -0.05 0.48 0.97 -0.08 0.02 0.00 0.00 175.30 176.64 1b9l s THR 17 N -0.44 0.00 -0.21 0.02 -1.32 -0.87 -4.66 115.64 108.15 1b9l s THR 17 Ca 0.06 -0.61 -0.25 0.00 -1.21 0.00 0.00 61.69 59.68 1b9l s THR 17 Cb -0.11 -1.95 -0.01 0.00 -1.51 0.00 0.00 72.50 68.92 1b9l s THR 17 CO 0.00 0.00 0.83 -0.36 -2.21 0.00 0.00 174.62 172.88 1b9l s PHE 18 N -3.23 3.36 -0.06 9.09 0.08 -1.26 -0.95 117.98 125.00 1b9l s PHE 18 Ca 0.12 1.18 -0.01 0.00 0.12 0.00 0.00 56.93 58.34 1b9l s PHE 18 Cb -0.01 -3.03 0.03 0.00 -0.57 0.00 0.00 43.02 39.44 1b9l s PHE 18 CO 0.01 -0.33 -0.00 0.42 -0.10 0.00 0.00 175.22 175.22 1b9l s ILE 19 N 2.55 0.36 -1.23 0.64 1.01 -1.25 -0.62 121.20 122.65 1b9l s ILE 19 Ca 0.36 0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.10 1b9l s ILE 19 Cb -0.16 -0.48 0.00 0.00 0.01 0.00 0.00 42.46 41.83 1b9l s ILE 19 CO 0.09 0.23 0.00 0.61 0.00 0.00 0.00 174.94 175.88 1b9l n GLY 20 N 4.81 0.81 0.00 6.18 0.00 -0.08 -4.75 105.19 112.17 1b9l n GLY 20 Ca -0.13 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.55 0.00 -2.14 -0.61 -6.64 -1.26 -4.57 119.36 103.58 1b9l n ILE 21 Ca 0.00 -0.09 -0.37 0.00 -1.77 0.00 0.00 62.75 60.51 1b9l n ILE 21 Cb 0.00 0.55 0.00 0.00 -1.44 0.00 0.00 39.64 38.76 1b9l n ILE 21 CO 0.00 0.00 0.00 -0.54 -1.77 0.00 0.00 176.55 174.24 1b9l s LYS 22 N -1.52 3.62 0.27 6.28 1.02 -1.26 -4.81 119.74 123.35 1b9l s LYS 22 Ca 0.00 1.90 -0.06 0.00 0.02 0.00 0.00 55.97 57.83 1b9l s LYS 22 Cb 0.00 -2.39 0.49 0.00 -0.52 0.00 0.00 37.83 35.42 1b9l s LYS 22 CO 0.00 -0.70 1.58 0.93 -0.92 0.00 0.00 175.35 176.24 1b9l h GLU 23 N 1.94 0.02 -0.23 1.68 4.39 -1.99 -0.87 114.58 119.51 1b9l h GLU 23 Ca -0.50 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 1b9l h GLU 23 Cb 1.26 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 1b9l h GLU 23 CO 0.60 0.01 0.08 1.49 -1.16 0.00 0.00 179.01 180.03 1b9l h GLU 24 N 0.02 0.35 -0.55 2.33 4.81 -1.98 -2.14 114.58 117.42 1b9l h GLU 24 Ca 0.47 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.65 1b9l h GLU 24 Cb 0.81 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 30.11 1b9l h GLU 24 CO -0.90 0.42 0.37 0.93 -0.73 0.00 0.00 179.01 179.09 1b9l h GLU 25 N 0.22 0.69 0.00 1.92 5.08 -1.46 -0.83 114.58 120.20 1b9l h GLU 25 Ca 0.08 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1b9l h GLU 25 Cb 0.20 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1b9l h GLU 25 CO -0.00 0.46 -0.52 -0.84 -1.00 0.00 0.00 179.01 177.10 1b9l h ILE 26 N 0.71 0.20 0.00 3.13 3.07 -1.26 -3.33 117.51 120.02 1b9l h ILE 26 Ca 0.21 -1.31 -0.18 0.00 1.55 0.00 0.00 64.86 65.13 1b9l h ILE 26 Cb -0.02 1.93 -0.03 0.00 -0.27 0.00 0.00 36.82 38.43 1b9l h ILE 26 CO -0.05 0.11 -1.32 0.78 -1.05 0.00 0.00 178.15 176.62 1b9l h ASN 27 N 0.00 0.00 -4.34 2.16 2.35 -0.77 -3.47 115.58 111.50 1b9l h ASN 27 Ca -0.02 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.17 1b9l h ASN 27 Cb 1.13 0.00 -0.28 0.00 0.05 0.00 0.00 38.32 39.21 1b9l h ASN 27 CO 0.02 0.65 -0.84 0.20 -1.65 0.00 0.00 177.43 175.81 1b9l s ASN 28 N -5.95 2.23 0.54 5.81 -0.87 -0.37 -5.09 114.94 111.24 1b9l s ASN 28 Ca -0.02 -0.38 -0.18 0.00 -1.57 0.00 0.00 52.86 50.70 1b9l s ASN 28 Cb 0.08 -0.23 -0.06 0.00 -0.02 0.00 0.00 41.25 41.03 1b9l s ASN 28 CO 0.81 0.21 1.06 -0.13 -2.57 0.00 0.00 177.10 176.47 1b9l s ARG 29 N -0.63 3.51 0.22 -0.60 0.52 -1.26 -4.67 118.95 116.03 1b9l s ARG 29 Ca 0.07 1.32 0.11 0.00 -0.52 0.00 0.00 55.73 56.71 1b9l s ARG 29 Cb -0.08 -2.05 -0.05 0.00 0.52 0.00 0.00 34.95 33.30 1b9l s ARG 29 CO -0.00 -0.67 -0.21 -0.65 0.02 0.00 0.00 175.30 173.79 1b9l s GLN 30 N -3.63 1.54 -0.12 3.54 -0.21 -0.13 -4.83 119.66 115.82 1b9l s GLN 30 Ca 0.66 -1.61 -0.26 0.00 0.02 0.00 0.00 55.36 54.18 1b9l s GLN 30 Cb -0.17 -1.71 -0.02 0.00 1.00 0.00 0.00 33.01 32.11 1b9l s GLN 30 CO 0.29 0.34 0.82 -0.51 -2.12 0.00 0.00 175.29 174.11 1b9l s ASP 31 N -3.02 7.03 0.08 5.90 1.01 -1.26 -2.06 116.67 124.35 1b9l s ASP 31 Ca 0.24 1.25 0.05 0.00 0.71 0.00 0.00 52.55 54.80 1b9l s ASP 31 Cb -0.06 -2.46 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 1b9l s ASP 31 CO 0.11 -0.31 -0.13 0.27 0.21 0.00 0.00 175.17 175.32 1b9l s ILE 32 N 1.66 1.06 -0.12 0.77 -4.36 -0.67 -2.08 121.20 117.45 1b9l s ILE 32 Ca 0.40 -1.35 0.02 0.00 -0.26 0.00 0.00 60.65 59.45 1b9l s ILE 32 Cb -0.17 -1.09 0.02 0.00 1.25 0.00 0.00 42.46 42.46 1b9l s ILE 32 CO 0.16 -0.29 -0.16 -0.69 0.24 0.00 0.00 174.94 174.20 1b9l s VAL 33 N -1.48 1.57 -0.12 8.37 1.01 -0.86 -1.89 120.40 127.00 1b9l s VAL 33 Ca -0.01 -0.68 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1b9l s VAL 33 Cb -0.09 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.82 1b9l s VAL 33 CO 0.02 0.46 0.02 -0.63 0.00 0.00 0.00 175.10 174.97 1b9l s ILE 34 N 1.05 4.46 -0.08 2.22 1.01 0.29 -1.55 121.20 128.61 1b9l s ILE 34 Ca -0.05 -0.18 0.01 0.00 0.00 0.00 0.00 60.65 60.44 1b9l s ILE 34 Cb -0.15 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.42 1b9l s ILE 34 CO -0.03 0.56 -0.11 0.20 0.00 0.00 0.00 174.94 175.56 1b9l s ASN 35 N -0.47 1.84 -0.04 3.58 -0.87 -0.51 -0.24 114.94 118.23 1b9l s ASN 35 Ca 0.09 -0.29 0.06 0.00 -1.57 0.00 0.00 52.86 51.15 1b9l s ASN 35 Cb -0.12 -0.81 -0.01 0.00 -0.02 0.00 0.00 41.25 40.29 1b9l s ASN 35 CO 0.02 -0.01 -0.23 -0.69 -2.57 0.00 0.00 177.10 173.62 1b9l s VAL 36 N 0.97 1.85 -0.11 1.60 1.01 -0.94 -1.18 120.40 123.60 1b9l s VAL 36 Ca -0.09 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1b9l s VAL 36 Cb -0.15 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.69 1b9l s VAL 36 CO 0.00 0.52 -0.15 -0.89 0.00 0.00 0.00 175.10 174.59 1b9l s THR 37 N -0.25 1.46 -0.06 3.92 2.01 -0.30 -0.96 115.64 121.46 1b9l s THR 37 Ca 0.01 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.41 1b9l s THR 37 Cb -0.12 -1.35 0.01 0.00 0.01 0.00 0.00 72.50 71.06 1b9l s THR 37 CO 0.02 0.43 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.63 1b9l s ILE 38 N 1.06 1.11 0.07 1.82 1.01 0.02 -0.32 121.20 125.96 1b9l s ILE 38 Ca -0.05 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.17 1b9l s ILE 38 Cb -0.15 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 1b9l s ILE 38 CO -0.03 0.35 -0.02 -1.00 0.00 0.00 0.00 174.94 174.25 1b9l s HIS 39 N 0.62 2.97 0.05 3.97 3.76 0.26 -0.47 115.29 126.46 1b9l s HIS 39 Ca -0.14 -0.03 -0.26 0.00 -0.15 0.00 0.00 55.06 54.48 1b9l s HIS 39 Cb -0.15 -1.55 0.07 0.00 1.11 0.00 0.00 32.58 32.05 1b9l s HIS 39 CO 0.03 0.46 0.62 1.52 -0.85 0.00 0.00 174.74 176.53 1b9l s TYR 40 N -1.25 -0.58 -0.05 1.40 1.13 -0.54 -1.15 117.35 116.32 1b9l s TYR 40 Ca 0.24 0.70 -0.38 0.00 -1.41 0.00 0.00 57.07 56.21 1b9l s TYR 40 Cb -0.12 0.47 -0.17 0.00 -1.10 0.00 0.00 41.96 41.04 1b9l s TYR 40 CO 0.16 -0.72 1.44 -2.30 -2.51 0.00 0.00 175.55 171.62 1b9l n PRO 41 N 0.28 0.99 0.13 -3.49 -0.02 -1.26 -0.13 135.00 131.51 1b9l n PRO 41 Ca -0.18 0.36 0.05 0.00 -2.02 0.00 0.00 63.50 61.71 1b9l n PRO 41 Cb 0.61 -1.99 0.51 0.00 -0.02 0.00 0.00 33.50 32.60 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 5.16 1.79 -0.26 3.55 0.00 -1.77 -2.77 119.26 124.96 1b9l h ALA 42 Ca -0.48 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1b9l h ALA 42 Cb 1.34 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1b9l h ALA 42 CO 0.82 0.17 0.03 0.38 0.00 0.00 0.00 179.25 180.66 1b9l h ASP 43 N 0.25 0.42 0.10 0.00 2.03 -1.90 -2.89 116.42 114.43 1b9l h ASP 43 Ca 0.06 -0.27 -0.02 0.00 -0.73 0.00 0.00 57.03 56.08 1b9l h ASP 43 Cb 0.05 -0.11 -0.00 0.00 -0.83 0.00 0.00 39.33 38.44 1b9l h ASP 43 CO -0.01 0.58 -0.07 0.11 -1.03 0.00 0.00 179.24 178.82 1b9l h LYS 44 N 0.24 0.00 -0.58 4.15 1.57 -1.88 -2.75 116.57 117.32 1b9l h LYS 44 Ca 0.08 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1b9l h LYS 44 Cb 0.35 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 1b9l h LYS 44 CO 0.01 0.07 0.31 0.00 -0.57 0.00 0.00 179.45 179.27 1b9l h ALA 45 N 1.93 0.75 0.00 3.86 0.00 -1.35 -1.55 119.26 122.91 1b9l h ALA 45 Ca -0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1b9l h ALA 45 Cb 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1b9l h ALA 45 CO 0.01 -0.03 -0.14 -0.09 0.00 0.00 0.00 179.25 179.00 1b9l h ARG 46 N 0.58 0.00 -0.89 0.00 9.65 -1.56 -2.62 114.38 119.54 1b9l h ARG 46 Ca 0.26 0.00 -0.36 0.00 -1.10 0.00 0.00 59.98 58.77 1b9l h ARG 46 Cb 0.15 0.00 -0.22 0.00 -1.39 0.00 0.00 29.97 28.52 1b9l h ARG 46 CO -0.17 0.14 0.46 -2.37 2.80 0.00 0.00 179.97 180.83 1b9l n THR 47 N -3.37 2.97 0.44 0.20 5.66 -0.60 -4.47 114.28 115.10 1b9l n THR 47 Ca -0.00 -1.69 0.03 0.00 -3.05 0.00 0.00 64.05 59.34 1b9l n THR 47 Cb 0.34 -0.44 0.14 0.00 -1.55 0.00 0.00 70.33 68.82 1b9l n THR 47 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1b9l n SER 48 N -0.62 2.53 0.00 1.09 2.88 -0.99 -3.62 113.62 114.88 1b9l n SER 48 Ca 0.49 -2.29 0.00 0.00 -1.33 0.00 0.00 58.87 55.74 1b9l n SER 48 Cb 1.49 -0.51 0.00 0.00 -0.75 0.00 0.00 64.21 64.44 1b9l n SER 48 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1b9l n GLU 49 N 0.23 3.24 -0.08 -1.46 0.28 -1.26 -4.84 120.64 116.75 1b9l n GLU 49 Ca 0.10 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.98 1b9l n GLU 49 Cb 0.54 -0.54 -0.08 0.00 1.43 0.00 0.00 31.44 32.79 1b9l n GLU 49 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 1b9l h ASP 50 N 0.00 0.00 -3.91 -1.84 5.19 -1.90 -3.47 116.42 110.49 1b9l h ASP 50 Ca 0.00 -0.43 -0.46 0.00 -0.62 0.00 0.00 57.03 55.52 1b9l h ASP 50 Cb 0.00 0.00 0.11 0.00 0.18 0.00 0.00 39.33 39.62 1b9l h ASP 50 CO 0.00 1.01 0.33 0.27 -3.12 0.00 0.00 179.24 177.73 1b9l s ILE 51 N -2.14 2.09 0.00 0.35 -4.36 -1.25 -5.04 121.20 110.84 1b9l s ILE 51 Ca -0.18 -0.14 0.00 0.00 -0.26 0.00 0.00 60.65 60.08 1b9l s ILE 51 Cb 0.02 -2.95 0.00 0.00 1.25 0.00 0.00 42.46 40.78 1b9l s ILE 51 CO 0.42 0.00 0.34 -0.46 0.24 0.00 0.00 174.94 175.48 1b9l n ASN 52 N -3.32 0.54 -0.27 4.36 6.94 -1.26 -4.58 115.26 117.67 1b9l n ASN 52 Ca 0.11 -1.11 0.09 0.00 -0.02 0.00 0.00 54.58 53.65 1b9l n ASN 52 Cb 0.60 0.00 0.41 0.00 -2.36 0.00 0.00 39.78 38.44 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 -0.05 0.80 -4.26 0.53 9.92 -1.26 -4.94 116.55 117.28 1b9l n ASP 53 Ca 0.00 -1.62 -0.36 0.00 -0.53 0.00 0.00 54.79 52.29 1b9l n ASP 53 Cb 0.21 -0.06 0.06 0.00 -0.64 0.00 0.00 41.12 40.69 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 -0.23 -3.40 -2.62 2.24 0.00 -1.26 -4.92 120.51 110.32 1b9l n ALA 54 Ca 0.14 -0.46 -0.43 0.00 0.00 0.00 0.00 53.44 52.68 1b9l n ALA 54 Cb 0.18 -1.53 -0.02 0.00 0.00 0.00 0.00 19.45 18.08 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 3.16 4.02 -0.34 0.00 0.20 -1.26 -5.00 118.68 119.46 1b9l s LEU 55 Ca 0.53 1.25 -0.04 0.00 0.69 0.00 0.00 54.13 56.56 1b9l s LEU 55 Cb -0.28 -3.54 0.06 0.00 -0.43 0.00 0.00 46.19 42.00 1b9l s LEU 55 CO 0.70 -0.79 0.08 0.21 -0.29 0.00 0.00 176.35 176.26 1b9l s ASN 56 N 1.54 5.13 0.59 3.68 3.84 -1.26 -4.96 114.94 123.49 1b9l s ASN 56 Ca 0.46 -1.38 0.32 0.00 0.21 0.00 0.00 52.86 52.47 1b9l s ASN 56 Cb -0.14 -1.80 1.82 0.00 -0.55 0.00 0.00 41.25 40.58 1b9l s ASN 56 CO 0.12 -0.34 2.22 0.10 -2.79 0.00 0.00 177.10 176.40 1b9l h TYR 57 N 8.10 0.00 -0.29 0.43 -0.00 -2.00 -1.48 116.97 121.73 1b9l h TYR 57 Ca -0.20 0.00 -0.14 0.00 0.00 0.00 0.00 58.73 58.39 1b9l h TYR 57 Cb 1.07 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.79 1b9l h TYR 57 CO 0.60 0.03 -0.37 0.00 -0.00 0.00 0.00 178.16 178.41 1b9l h ARG 58 N 0.00 0.67 -0.10 0.10 3.08 -1.99 -1.59 114.38 114.54 1b9l h ARG 58 Ca -0.00 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 59.67 1b9l h ARG 58 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.15 1b9l h ARG 58 CO 0.00 0.93 -0.12 1.15 -1.07 0.00 0.00 179.97 180.86 1b9l h THR 59 N 0.55 1.37 -0.09 2.04 2.02 -1.71 -0.96 112.91 116.13 1b9l h THR 59 Ca 0.05 -1.31 0.04 0.00 0.77 0.00 0.00 66.41 65.96 1b9l h THR 59 Cb 0.90 2.00 -0.06 0.00 -1.74 0.00 0.00 68.15 69.24 1b9l h THR 59 CO 0.08 0.37 -0.36 0.58 0.37 0.00 0.00 175.52 176.57 1b9l h VAL 60 N -0.15 0.24 -0.50 3.16 2.07 -1.38 0.28 116.25 119.97 1b9l h VAL 60 Ca 0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.57 1b9l h VAL 60 Cb 0.66 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.63 1b9l h VAL 60 CO 0.03 0.00 0.27 0.74 0.02 0.00 0.00 177.57 178.63 1b9l h THR 61 N -0.46 1.00 -0.51 2.57 2.02 -1.28 0.24 112.91 116.49 1b9l h THR 61 Ca 0.08 -0.18 0.07 0.00 0.77 0.00 0.00 66.41 67.14 1b9l h THR 61 Cb 0.58 0.41 -0.06 0.00 -1.74 0.00 0.00 68.15 67.35 1b9l h THR 61 CO -0.34 0.10 0.19 0.50 0.37 0.00 0.00 175.52 176.34 1b9l h LYS 62 N 0.54 0.36 -0.43 6.66 3.64 -0.29 0.43 116.57 127.48 1b9l h LYS 62 Ca 0.21 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.51 1b9l h LYS 62 Cb 0.08 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1b9l h LYS 62 CO -0.13 0.24 0.04 -0.91 -2.27 0.00 0.00 179.45 176.42 1b9l h ASN 63 N 0.37 0.71 0.05 4.20 2.35 0.58 -1.89 115.58 121.96 1b9l h ASN 63 Ca 0.25 -0.28 0.01 0.00 -0.55 0.00 0.00 56.30 55.73 1b9l h ASN 63 Cb 0.26 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1b9l h ASN 63 CO -0.25 0.81 -0.09 0.40 -1.65 0.00 0.00 177.43 176.66 1b9l h ILE 64 N 0.58 0.78 0.16 2.81 2.04 0.40 -2.26 117.51 122.02 1b9l h ILE 64 Ca 0.13 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.99 1b9l h ILE 64 Cb 0.42 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1b9l h ILE 64 CO 0.01 0.00 -0.14 0.40 0.00 0.00 0.00 178.15 178.43 1b9l h ILE 65 N -0.19 0.70 -0.77 -0.67 2.04 -0.91 -0.93 117.51 116.79 1b9l h ILE 65 Ca 0.02 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.02 1b9l h ILE 65 Cb 0.20 0.70 -0.10 0.00 -0.74 0.00 0.00 36.82 36.88 1b9l h ILE 65 CO -0.05 0.00 0.30 -0.61 0.00 0.00 0.00 178.15 177.79 1b9l h GLN 66 N -0.31 0.43 -0.09 2.37 4.15 -1.23 0.65 115.11 121.07 1b9l h GLN 66 Ca -0.00 -0.03 -0.20 0.00 0.77 0.00 0.00 58.65 59.19 1b9l h GLN 66 Cb 0.29 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1b9l h GLN 66 CO -0.02 0.28 -0.78 1.25 -1.93 0.00 0.00 178.83 177.64 1b9l h HIS 67 N 0.44 0.74 -0.04 3.99 2.76 -1.26 -2.98 115.15 118.79 1b9l h HIS 67 Ca 0.42 -0.34 -0.06 0.00 -2.20 0.00 0.00 60.37 58.20 1b9l h HIS 67 Cb 0.66 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.51 1b9l h HIS 67 CO -0.17 1.12 -0.22 0.28 -1.30 0.00 0.00 177.93 177.65 1b9l h VAL 68 N 0.36 1.47 0.00 5.26 2.07 0.09 -3.32 116.25 122.19 1b9l h VAL 68 Ca -0.05 -1.71 -0.10 0.00 0.82 0.00 0.00 66.70 65.66 1b9l h VAL 68 Cb 1.38 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 33.61 1b9l h VAL 68 CO 0.14 0.48 -0.46 -0.33 0.02 0.00 0.00 177.57 177.42 1b9l h GLU 69 N -0.36 0.00 -0.89 1.57 5.08 -1.05 -3.22 114.58 115.71 1b9l h GLU 69 Ca -0.02 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.03 1b9l h GLU 69 Cb 0.89 0.00 -0.19 0.00 0.50 0.00 0.00 28.75 29.95 1b9l h GLU 69 CO 0.04 0.46 0.40 0.09 -1.00 0.00 0.00 179.01 179.00 1b9l n ASN 70 N -3.82 4.08 -3.87 1.42 5.03 -1.13 -4.96 115.26 112.02 1b9l n ASN 70 Ca -0.01 -3.21 -0.12 0.00 0.87 0.00 0.00 54.58 52.12 1b9l n ASN 70 Cb 0.51 -0.75 -0.07 0.00 -1.02 0.00 0.00 39.78 38.45 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 -0.88 0.28 -0.06 6.41 -0.87 -1.22 -5.02 114.94 113.59 1b9l s ASN 71 Ca 0.48 -1.24 0.05 0.00 -1.57 0.00 0.00 52.86 50.59 1b9l s ASN 71 Cb 0.40 0.54 -0.01 0.00 -0.02 0.00 0.00 41.25 42.16 1b9l s ASN 71 CO 0.11 -1.08 -0.22 -0.13 -2.57 0.00 0.00 177.10 173.21 1b9l s ARG 72 N -3.83 2.28 -0.03 -0.60 0.52 -1.26 -4.28 118.95 111.76 1b9l s ARG 72 Ca 0.30 -0.78 0.07 0.00 -0.52 0.00 0.00 55.73 54.81 1b9l s ARG 72 Cb 0.02 -1.93 -0.02 0.00 0.52 0.00 0.00 34.95 33.54 1b9l s ARG 72 CO 0.13 0.31 -0.25 -0.06 0.02 0.00 0.00 175.30 175.45 1b9l s PHE 73 N -0.03 2.38 -0.10 -0.53 0.40 0.20 -5.01 117.98 115.30 1b9l s PHE 73 Ca -0.05 -0.43 -0.14 0.00 -0.60 0.00 0.00 56.93 55.70 1b9l s PHE 73 Cb -0.13 -1.52 -0.28 0.00 0.51 0.00 0.00 43.02 41.60 1b9l s PHE 73 CO 0.04 -0.03 0.56 0.66 0.70 0.00 0.00 175.22 177.14 1b9l h SER 74 N 5.53 0.42 -4.36 1.36 4.64 -1.84 -0.19 113.55 119.10 1b9l h SER 74 Ca -0.42 -0.87 -0.41 0.00 -0.47 0.00 0.00 61.79 59.61 1b9l h SER 74 Cb 1.13 -0.14 -0.24 0.00 -0.31 0.00 0.00 62.40 62.84 1b9l h SER 74 CO 0.47 1.67 -0.78 -0.76 -0.87 0.00 0.00 176.83 176.56 1b9l s LEU 75 N -7.47 2.18 0.25 5.97 1.02 -1.26 -3.39 118.68 115.98 1b9l s LEU 75 Ca -0.19 -0.46 -0.05 0.00 0.02 0.00 0.00 54.13 53.45 1b9l s LEU 75 Cb 0.05 -0.52 0.34 0.00 0.02 0.00 0.00 46.19 46.08 1b9l s LEU 75 CO 0.78 -0.00 1.86 -0.07 0.02 0.00 0.00 176.35 178.93 1b9l h LEU 76 N 4.90 0.87 -0.59 1.79 3.38 -1.98 -1.63 115.31 122.04 1b9l h LEU 76 Ca -0.37 0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.70 1b9l h LEU 76 Cb 1.18 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.70 1b9l h LEU 76 CO 0.44 0.56 0.23 -0.33 0.09 0.00 0.00 178.44 179.42 1b9l h GLU 77 N 1.01 0.40 0.23 1.13 3.07 -1.98 0.22 114.58 118.65 1b9l h GLU 77 Ca 0.38 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 59.21 1b9l h GLU 77 Cb 0.17 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 1b9l h GLU 77 CO -0.17 0.26 -0.11 0.87 -1.40 0.00 0.00 179.01 178.46 1b9l h LYS 78 N 0.41 -0.30 -0.36 2.33 6.56 -1.74 -0.77 116.57 122.70 1b9l h LYS 78 Ca 0.30 0.02 0.07 0.00 -1.06 0.00 0.00 60.65 59.98 1b9l h LYS 78 Cb 0.35 0.07 -0.07 0.00 -0.57 0.00 0.00 32.23 32.01 1b9l h LYS 78 CO -0.29 -0.10 -0.10 1.25 -2.06 0.00 0.00 179.45 178.15 1b9l h LEU 79 N -0.46 -0.36 -0.70 2.94 5.85 -0.86 0.60 115.31 122.33 1b9l h LEU 79 Ca -0.03 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1b9l h LEU 79 Cb 0.34 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 1b9l h LEU 79 CO 0.05 -0.13 0.30 0.74 -0.34 0.00 0.00 178.44 179.06 1b9l h THR 80 N -0.01 1.24 -0.05 1.05 2.02 -0.51 -1.64 112.91 115.02 1b9l h THR 80 Ca 0.18 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 1b9l h THR 80 Cb 0.28 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1b9l h THR 80 CO -0.38 0.30 0.03 -0.61 0.37 0.00 0.00 175.52 175.22 1b9l h GLN 81 N 0.99 0.07 -0.52 6.66 5.75 -0.30 0.46 115.11 128.22 1b9l h GLN 81 Ca 0.24 -0.01 0.10 0.00 -0.15 0.00 0.00 58.65 58.83 1b9l h GLN 81 Cb 0.18 -0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.63 1b9l h GLN 81 CO -0.02 0.14 -0.06 -0.44 -2.65 0.00 0.00 178.83 175.80 1b9l h ASP 82 N -0.02 -0.34 -0.22 -0.69 5.19 -0.69 0.28 116.42 119.92 1b9l h ASP 82 Ca 0.02 0.14 -0.03 0.00 -0.62 0.00 0.00 57.03 56.54 1b9l h ASP 82 Cb 0.10 0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.87 1b9l h ASP 82 CO -0.00 -0.12 0.02 0.58 -3.12 0.00 0.00 179.24 176.59 1b9l h VAL 83 N 0.06 1.24 -0.73 -1.35 2.07 -1.01 -2.30 116.25 114.23 1b9l h VAL 83 Ca 0.26 -0.81 0.15 0.00 0.82 0.00 0.00 66.70 67.11 1b9l h VAL 83 Cb 0.40 1.35 -0.10 0.00 -1.52 0.00 0.00 31.29 31.42 1b9l h VAL 83 CO -0.48 0.25 0.24 0.25 0.02 0.00 0.00 177.57 177.84 1b9l h LEU 84 N 0.16 0.15 -0.30 2.57 5.85 0.17 -0.54 115.31 123.37 1b9l h LEU 84 Ca 0.06 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1b9l h LEU 84 Cb 0.36 0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1b9l h LEU 84 CO 0.01 0.04 0.17 0.44 -0.34 0.00 0.00 178.44 178.76 1b9l h ASP 85 N 0.35 0.37 0.09 1.25 3.32 -0.81 -2.00 116.42 118.99 1b9l h ASP 85 Ca 0.40 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 1b9l h ASP 85 Cb 0.64 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1b9l h ASP 85 CO -0.44 0.33 -0.08 0.40 -1.72 0.00 0.00 179.24 177.73 1b9l h ILE 86 N 0.37 1.03 0.21 0.35 2.04 -0.57 -2.39 117.51 118.56 1b9l h ILE 86 Ca 0.11 -0.28 -0.32 0.00 1.00 0.00 0.00 64.86 65.37 1b9l h ILE 86 Cb 0.04 1.15 0.03 0.00 -0.74 0.00 0.00 36.82 37.30 1b9l h ILE 86 CO -0.02 0.08 -1.40 0.00 0.00 0.00 0.00 178.15 176.81 1b9l h ALA 87 N 1.92 -0.08 -0.40 1.87 0.00 -0.95 -3.31 119.26 118.31 1b9l h ALA 87 Ca -0.00 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1b9l h ALA 87 Cb 0.15 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1b9l h ALA 87 CO 0.01 0.78 0.00 2.89 0.00 0.00 0.00 179.25 182.93 1b9l n ARG 88 N -3.67 2.37 -0.24 0.00 1.85 -0.78 -4.38 116.66 111.82 1b9l n ARG 88 Ca -0.14 -1.62 -0.06 0.00 -1.00 0.00 0.00 57.85 55.03 1b9l n ARG 88 Cb 1.08 -1.52 0.05 0.00 -1.05 0.00 0.00 32.46 31.02 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 2.43 0.90 -6.94 2.89 4.81 -1.53 -3.44 114.58 113.70 1b9l h GLU 89 Ca 0.00 -0.08 -0.52 0.00 -0.13 0.00 0.00 59.36 58.63 1b9l h GLU 89 Cb 0.81 -0.19 0.07 0.00 0.63 0.00 0.00 28.75 30.07 1b9l h GLU 89 CO 0.09 0.64 0.57 -1.58 -0.73 0.00 0.00 179.01 177.99 1b9l s HIS 90 N -6.00 2.93 -1.45 0.92 2.46 -1.26 -4.93 115.29 107.96 1b9l s HIS 90 Ca -0.13 1.47 0.12 0.00 0.47 0.00 0.00 55.06 56.99 1b9l s HIS 90 Cb 0.14 -3.56 0.61 0.00 -0.13 0.00 0.00 32.58 29.64 1b9l s HIS 90 CO 0.77 -1.76 1.29 -2.39 -2.47 0.00 0.00 174.74 170.18 1b9l n HIS 91 N 0.15 0.00 0.06 3.88 1.44 -1.26 -2.54 115.22 116.95 1b9l n HIS 91 Ca 0.04 0.00 0.04 0.00 -2.01 0.00 0.00 57.72 55.79 1b9l n HIS 91 Cb 0.45 -0.27 -0.05 0.00 0.12 0.00 0.00 29.99 30.23 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 -1.95 -1.40 4.06 -1.93 -3.46 115.95 111.26 1b9l h TRP 92 Ca 0.00 0.00 -0.59 0.00 2.06 0.00 0.00 58.89 60.36 1b9l h TRP 92 Cb 0.11 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.27 1b9l h TRP 92 CO 0.00 0.38 1.36 0.28 -3.56 0.00 0.00 178.44 176.90 1b9l n VAL 93 N -2.83 0.46 -0.02 1.49 0.31 -1.05 -4.28 118.33 112.41 1b9l n VAL 93 Ca -0.06 -0.30 -0.19 0.00 -0.01 0.00 0.00 64.34 63.77 1b9l n VAL 93 Cb 0.74 -2.27 -0.13 0.00 -0.91 0.00 0.00 33.84 31.26 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 6.52 1.32 -3.13 2.52 2.02 -1.44 -3.46 112.91 117.25 1b9l h THR 94 Ca -0.42 -2.38 -0.16 0.00 0.77 0.00 0.00 66.41 64.22 1b9l h THR 94 Cb 1.26 2.91 -0.25 0.00 -1.74 0.00 0.00 68.15 70.33 1b9l h THR 94 CO 0.96 0.62 -0.41 -0.47 0.37 0.00 0.00 175.52 176.59 1b9l s TYR 95 N -2.38 -0.25 0.01 3.16 5.04 -1.24 -1.40 117.35 120.28 1b9l s TYR 95 Ca -0.20 0.60 0.01 0.00 -2.44 0.00 0.00 57.07 55.05 1b9l s TYR 95 Cb 0.02 0.09 -0.01 0.00 0.35 0.00 0.00 41.96 42.41 1b9l s TYR 95 CO 0.73 -0.17 -0.04 0.00 -1.34 0.00 0.00 175.55 174.73 1b9l s ALA 96 N -0.08 0.33 0.00 3.97 0.00 -0.76 -0.57 121.76 124.65 1b9l s ALA 96 Ca -0.02 -0.29 0.02 0.00 0.00 0.00 0.00 51.96 51.68 1b9l s ALA 96 Cb -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1b9l s ALA 96 CO 0.01 0.04 -0.07 -2.00 0.00 0.00 0.00 175.76 173.73 1b9l s GLU 97 N -0.43 0.59 -0.05 0.00 2.12 0.56 -1.28 118.70 120.20 1b9l s GLU 97 Ca -0.02 -0.31 -0.01 0.00 0.36 0.00 0.00 54.97 54.99 1b9l s GLU 97 Cb -0.03 -0.55 0.03 0.00 0.26 0.00 0.00 34.13 33.83 1b9l s GLU 97 CO -0.00 0.15 0.02 0.08 -0.54 0.00 0.00 175.26 174.97 1b9l s VAL 98 N -0.29 0.15 -0.13 3.70 1.01 -0.35 -1.15 120.40 123.35 1b9l s VAL 98 Ca 0.02 0.23 0.01 0.00 0.00 0.00 0.00 61.98 62.24 1b9l s VAL 98 Cb -0.03 -0.34 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 1b9l s VAL 98 CO -0.00 0.21 -0.16 -0.70 0.00 0.00 0.00 175.10 174.45 1b9l s GLU 99 N 1.86 3.27 -0.19 2.72 2.12 -0.33 -1.67 118.70 126.49 1b9l s GLU 99 Ca 0.02 -0.74 0.01 0.00 0.36 0.00 0.00 54.97 54.63 1b9l s GLU 99 Cb -0.12 -2.58 0.03 0.00 0.26 0.00 0.00 34.13 31.72 1b9l s GLU 99 CO -0.04 0.14 -0.16 0.42 -0.54 0.00 0.00 175.26 175.09 1b9l s ILE 100 N 0.51 1.93 -0.11 -3.70 1.01 -0.45 -1.42 121.20 118.97 1b9l s ILE 100 Ca -0.10 -1.04 -0.19 0.00 0.00 0.00 0.00 60.65 59.32 1b9l s ILE 100 Cb -0.16 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 1b9l s ILE 100 CO 0.04 0.36 0.51 -1.81 0.00 0.00 0.00 174.94 174.04 1b9l s ASP 101 N 1.30 6.73 -0.57 3.58 1.01 -0.59 -1.44 116.67 126.68 1b9l s ASP 101 Ca 0.01 0.87 -0.12 0.00 0.71 0.00 0.00 52.55 54.02 1b9l s ASP 101 Cb -0.15 -2.31 0.14 0.00 1.01 0.00 0.00 42.92 41.62 1b9l s ASP 101 CO -0.10 -0.02 0.49 -0.75 0.21 0.00 0.00 175.17 175.00 1b9l s LYS 102 N 0.67 2.90 0.04 8.23 2.20 0.15 -2.02 119.74 131.90 1b9l s LYS 102 Ca 0.28 -1.92 -0.32 0.00 -0.36 0.00 0.00 55.97 53.65 1b9l s LYS 102 Cb -0.15 -4.16 -0.11 0.00 -1.51 0.00 0.00 37.83 31.89 1b9l s LYS 102 CO 0.11 -1.27 1.84 1.28 -0.36 0.00 0.00 175.35 176.96 1b9l n LEU 103 N 4.79 3.72 -3.50 5.43 4.32 -0.88 -3.11 117.00 127.77 1b9l n LEU 103 Ca -0.06 0.98 -0.22 0.00 -0.02 0.00 0.00 56.01 56.69 1b9l n LEU 103 Cb 0.41 -1.46 0.06 0.00 -1.62 0.00 0.00 43.42 40.81 1b9l n LEU 103 CO 0.45 0.03 -0.02 1.41 -1.22 0.00 0.00 177.39 178.04 1b9l n HIS 104 N 6.06 -2.15 -0.05 -1.77 8.25 -0.78 -4.75 115.22 120.03 1b9l n HIS 104 Ca 0.20 0.71 -0.22 0.00 -0.26 0.00 0.00 57.72 58.15 1b9l n HIS 104 Cb 0.34 -3.96 -0.13 0.00 1.12 0.00 0.00 29.99 27.36 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 -3.80 0.87 -2.87 -1.41 0.00 -1.21 -4.86 120.51 107.21 1b9l n ALA 105 Ca -0.13 -0.58 -0.36 0.00 0.00 0.00 0.00 53.44 52.38 1b9l n ALA 105 Cb 0.62 -0.59 -0.06 0.00 0.00 0.00 0.00 19.45 19.42 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 -7.37 4.32 0.17 0.00 2.01 -1.26 -5.07 118.68 111.47 1b9l s LEU 106 Ca -0.26 0.40 -0.29 0.00 0.01 0.00 0.00 54.13 53.99 1b9l s LEU 106 Cb 0.07 -2.24 -0.07 0.00 0.01 0.00 0.00 46.19 43.95 1b9l s LEU 106 CO 0.69 0.35 0.91 0.00 1.01 0.00 0.00 176.35 179.31 1b9l s ARG 107 N -1.35 4.73 0.00 1.70 1.70 -1.26 -3.33 118.95 121.15 1b9l s ARG 107 Ca 0.19 1.39 0.00 0.00 -0.47 0.00 0.00 55.73 56.84 1b9l s ARG 107 Cb -0.12 -3.32 0.00 0.00 -0.57 0.00 0.00 34.95 30.94 1b9l s ARG 107 CO 0.09 0.40 0.00 0.66 -1.08 0.00 0.00 175.30 175.37 1b9l n TYR 108 N 2.08 0.00 -4.21 5.89 4.01 -1.26 -5.05 117.16 118.61 1b9l n TYR 108 Ca -0.01 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.56 1b9l n TYR 108 Cb 0.48 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.39 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 -2.52 0.95 0.21 -0.72 0.00 -1.21 -5.05 121.76 113.42 1b9l s ALA 109 Ca 0.00 -0.80 -0.08 0.00 0.00 0.00 0.00 51.96 51.08 1b9l s ALA 109 Cb 0.00 -0.09 0.16 0.00 0.00 0.00 0.00 23.12 23.19 1b9l s ALA 109 CO 0.00 0.13 1.80 -0.44 0.00 0.00 0.00 175.76 177.25 1b9l h ASP 110 N 4.75 1.07 -1.46 0.00 5.19 -1.97 -3.41 116.42 120.58 1b9l h ASP 110 Ca -0.37 -0.15 0.21 0.00 -0.62 0.00 0.00 57.03 56.10 1b9l h ASP 110 Cb 1.19 -0.27 -0.04 0.00 0.18 0.00 0.00 39.33 40.39 1b9l h ASP 110 CO 0.43 0.91 0.56 -1.54 -3.12 0.00 0.00 179.24 176.48 1b9l n SER 111 N -4.33 -0.80 -3.85 6.45 3.41 -1.26 -1.86 113.62 111.38 1b9l n SER 111 Ca 0.07 -1.20 -0.17 0.00 -0.26 0.00 0.00 58.87 57.32 1b9l n SER 111 Cb 0.15 1.25 -0.16 0.00 -0.26 0.00 0.00 64.21 65.19 1b9l n SER 111 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1b9l s VAL 112 N -2.08 0.23 0.16 -3.33 0.11 -1.18 -4.87 120.40 109.43 1b9l s VAL 112 Ca 0.19 0.01 0.07 0.00 -2.93 0.00 0.00 61.98 59.32 1b9l s VAL 112 Cb -0.01 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.52 1b9l s VAL 112 CO -0.00 0.13 -0.16 -0.94 -3.33 0.00 0.00 175.10 170.80 1b9l s SER 113 N 0.74 2.44 -0.14 3.54 1.04 -1.26 -0.68 113.70 119.38 1b9l s SER 113 Ca -0.08 -0.88 0.02 0.00 0.48 0.00 0.00 55.95 55.50 1b9l s SER 113 Cb -0.11 -0.12 0.01 0.00 0.10 0.00 0.00 66.02 65.90 1b9l s SER 113 CO -0.01 -0.10 -0.21 -0.32 0.98 0.00 0.00 173.24 173.58 1b9l s MET 114 N -2.94 2.91 -0.05 4.02 -2.45 -0.52 -4.94 119.30 115.32 1b9l s MET 114 Ca 0.15 -0.81 0.05 0.00 -1.25 0.00 0.00 55.69 53.83 1b9l s MET 114 Cb -0.04 -2.38 -0.02 0.00 1.25 0.00 0.00 34.83 33.63 1b9l s MET 114 CO 0.05 -0.05 -0.19 0.99 1.05 0.00 0.00 175.02 176.88 1b9l s THR 115 N 0.91 2.66 0.02 10.11 2.01 -1.26 -1.34 115.64 128.76 1b9l s THR 115 Ca -0.05 -0.87 0.01 0.00 0.31 0.00 0.00 61.69 61.09 1b9l s THR 115 Cb -0.15 -2.01 -0.02 0.00 0.01 0.00 0.00 72.50 70.33 1b9l s THR 115 CO -0.04 0.58 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.67 1b9l s LEU 116 N -0.54 2.18 0.16 4.42 1.43 -0.67 -5.00 118.68 120.67 1b9l s LEU 116 Ca 0.07 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 1b9l s LEU 116 Cb -0.11 -0.07 -0.04 0.00 0.03 0.00 0.00 46.19 46.00 1b9l s LEU 116 CO 0.01 -0.17 0.04 -0.94 0.23 0.00 0.00 176.35 175.52 1b9l s SER 117 N -1.10 0.73 -0.03 2.29 1.04 -1.26 -1.21 113.70 114.16 1b9l s SER 117 Ca -0.09 -1.22 -0.04 0.00 0.48 0.00 0.00 55.95 55.08 1b9l s SER 117 Cb -0.07 0.22 0.01 0.00 0.10 0.00 0.00 66.02 66.27 1b9l s SER 117 CO -0.00 -0.67 0.10 0.86 0.98 0.00 0.00 173.24 174.50 1b9l s TRP 118 N -3.88 -0.07 0.38 5.02 -0.00 -0.41 -5.00 118.94 114.99 1b9l s TRP 118 Ca 0.26 0.17 0.08 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 33.49 1b9l s TRP 118 CO 0.04 -0.09 0.09 -0.65 -0.00 0.00 0.00 176.95 176.34 1b9l s GLN 119 N -0.23 2.14 0.00 5.86 -1.52 -1.26 -1.83 119.66 122.82 1b9l s GLN 119 Ca -0.03 -1.84 0.00 0.00 -1.95 0.00 0.00 55.36 51.54 1b9l s GLN 119 Cb -0.02 -1.92 0.00 0.00 -0.22 0.00 0.00 33.01 30.85 1b9l s GLN 119 CO 0.00 -0.00 0.00 0.54 -0.25 0.00 0.00 175.29 175.58