#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 3.28 -0.56 0.00 -0.06 -1.26 -4.99 117.38 113.79 1b9l n GLN 3 Ca 0.00 -4.54 -0.07 0.00 -2.00 0.00 0.00 57.00 50.39 1b9l n GLN 3 Cb 0.00 -2.43 -0.02 0.00 -4.06 0.00 0.00 30.24 23.73 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 1.78 0.00 -3.43 3.69 -0.02 -1.26 -4.69 135.00 131.07 1b9l n PRO 4 Ca 0.25 -0.25 -0.16 0.00 -2.02 0.00 0.00 63.50 61.31 1b9l n PRO 4 Cb 0.37 -1.43 -0.11 0.00 -0.02 0.00 0.00 33.50 32.31 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 3.32 -0.48 0.04 3.55 0.00 -1.26 -3.53 121.76 123.40 1b9l s ALA 5 Ca 0.11 0.16 -0.21 0.00 0.00 0.00 0.00 51.96 52.02 1b9l s ALA 5 Cb 0.02 -1.56 -0.06 0.00 0.00 0.00 0.00 23.12 21.52 1b9l s ALA 5 CO 0.06 -1.41 0.62 0.00 0.00 0.00 0.00 175.76 175.04 1b9l s ALA 6 N 2.38 3.50 -0.19 0.00 0.00 0.12 -4.80 121.76 122.77 1b9l s ALA 6 Ca 0.09 0.09 -0.01 0.00 0.00 0.00 0.00 51.96 52.13 1b9l s ALA 6 Cb -0.15 -2.76 0.00 0.00 0.00 0.00 0.00 23.12 20.21 1b9l s ALA 6 CO -0.21 0.24 -0.12 0.42 0.00 0.00 0.00 175.76 176.09 1b9l s ILE 7 N -0.56 2.75 -0.18 0.00 1.01 -1.26 -1.65 121.20 121.31 1b9l s ILE 7 Ca 0.32 -0.71 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 1b9l s ILE 7 Cb -0.19 -2.20 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1b9l s ILE 7 CO 0.19 0.49 0.06 -0.63 0.00 0.00 0.00 174.94 175.05 1b9l s ILE 8 N 1.22 4.74 -0.13 2.92 1.01 0.59 -4.95 121.20 126.60 1b9l s ILE 8 Ca 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 60.65 60.65 1b9l s ILE 8 Cb -0.14 -3.13 0.01 0.00 0.01 0.00 0.00 42.46 39.21 1b9l s ILE 8 CO -0.05 0.46 -0.21 -0.13 0.00 0.00 0.00 174.94 175.01 1b9l s ARG 9 N 0.35 2.88 -0.45 2.79 0.52 -1.26 -0.72 118.95 123.06 1b9l s ARG 9 Ca 0.03 -0.80 -0.14 0.00 -0.52 0.00 0.00 55.73 54.29 1b9l s ARG 9 Cb -0.12 -2.33 0.06 0.00 0.52 0.00 0.00 34.95 33.08 1b9l s ARG 9 CO 0.00 -0.01 0.34 0.42 0.02 0.00 0.00 175.30 176.08 1b9l s ILE 10 N 0.81 5.05 -0.20 1.52 1.01 0.27 -4.99 121.20 124.67 1b9l s ILE 10 Ca -0.08 -1.01 -0.17 0.00 0.00 0.00 0.00 60.65 59.38 1b9l s ILE 10 Cb -0.16 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.31 1b9l s ILE 10 CO -0.01 -0.49 0.47 -0.54 0.00 0.00 0.00 174.94 174.37 1b9l s LYS 11 N 1.61 4.18 -1.03 2.79 1.02 -1.26 -2.07 119.74 124.98 1b9l s LYS 11 Ca 0.04 0.33 -0.15 0.00 0.02 0.00 0.00 55.97 56.21 1b9l s LYS 11 Cb -0.23 -3.56 -0.01 0.00 -0.52 0.00 0.00 37.83 33.52 1b9l s LYS 11 CO 0.07 -0.11 0.75 0.09 -0.92 0.00 0.00 175.35 175.23 1b9l n ASN 12 N 4.69 -5.66 -4.57 2.83 5.03 -1.20 -4.92 115.26 111.46 1b9l n ASN 12 Ca -0.06 -0.87 -0.42 0.00 0.87 0.00 0.00 54.58 54.10 1b9l n ASN 12 Cb 0.51 -3.42 -0.03 0.00 -1.02 0.00 0.00 39.78 35.82 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 -5.86 3.63 -0.27 3.41 2.96 0.25 -4.84 118.68 117.95 1b9l s LEU 13 Ca 0.33 0.08 -0.15 0.00 -0.22 0.00 0.00 54.13 54.18 1b9l s LEU 13 Cb -0.12 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 1b9l s LEU 13 CO 0.85 -1.38 0.36 -0.13 -1.32 0.00 0.00 176.35 174.73 1b9l s ARG 14 N 4.63 3.99 0.20 1.98 0.52 -1.26 -0.56 118.95 128.44 1b9l s ARG 14 Ca 0.41 -0.01 0.02 0.00 -0.52 0.00 0.00 55.73 55.63 1b9l s ARG 14 Cb -0.08 -3.66 -0.05 0.00 0.52 0.00 0.00 34.95 31.68 1b9l s ARG 14 CO 0.25 -0.28 0.03 -0.51 0.02 0.00 0.00 175.30 174.81 1b9l s LEU 15 N 2.05 1.99 -0.04 2.53 1.02 -1.04 -5.03 118.68 120.15 1b9l s LEU 15 Ca 0.14 -1.23 0.04 0.00 0.02 0.00 0.00 54.13 53.10 1b9l s LEU 15 Cb -0.16 -0.04 -0.00 0.00 0.02 0.00 0.00 46.19 46.01 1b9l s LEU 15 CO 0.10 -0.61 -0.14 -0.13 0.02 0.00 0.00 176.35 175.59 1b9l s ARG 16 N -3.94 1.46 0.17 1.70 0.52 -1.26 -1.50 118.95 116.10 1b9l s ARG 16 Ca 0.28 -0.50 -0.24 0.00 -0.52 0.00 0.00 55.73 54.75 1b9l s ARG 16 Cb 0.06 -1.30 0.06 0.00 0.52 0.00 0.00 34.95 34.29 1b9l s ARG 16 CO 0.07 0.20 0.90 -0.08 0.02 0.00 0.00 175.30 176.41 1b9l s THR 17 N 0.07 0.00 -0.20 0.02 -1.32 -0.80 -4.65 115.64 108.76 1b9l s THR 17 Ca -0.03 -0.67 -0.23 0.00 -1.21 0.00 0.00 61.69 59.54 1b9l s THR 17 Cb -0.10 -1.91 -0.02 0.00 -1.51 0.00 0.00 72.50 68.96 1b9l s THR 17 CO 0.01 0.00 0.75 -0.36 -2.21 0.00 0.00 174.62 172.81 1b9l s PHE 18 N -3.42 3.38 -0.07 9.09 0.08 -1.26 -0.40 117.98 125.38 1b9l s PHE 18 Ca 0.11 1.09 0.00 0.00 0.12 0.00 0.00 56.93 58.26 1b9l s PHE 18 Cb -0.02 -2.93 0.02 0.00 -0.57 0.00 0.00 43.02 39.52 1b9l s PHE 18 CO 0.02 -0.25 -0.06 0.42 -0.10 0.00 0.00 175.22 175.25 1b9l s ILE 19 N 2.20 0.78 0.00 0.64 1.01 -1.25 -1.11 121.20 123.48 1b9l s ILE 19 Ca 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.78 1b9l s ILE 19 Cb -0.16 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.51 1b9l s ILE 19 CO 0.11 0.30 0.00 0.61 0.00 0.00 0.00 174.94 175.96 1b9l n GLY 20 N 4.44 1.29 0.00 6.18 0.00 0.57 -4.66 105.19 113.02 1b9l n GLY 20 Ca -0.18 -2.23 0.00 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.15 0.00 -2.13 -0.61 -0.00 -1.26 -4.52 119.36 109.68 1b9l n ILE 21 Ca 0.00 -0.14 -0.41 0.00 -0.00 0.00 0.00 62.75 62.20 1b9l n ILE 21 Cb 0.00 0.62 -0.02 0.00 -0.00 0.00 0.00 39.64 40.23 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 -1.46 4.37 0.17 6.28 1.02 -1.26 -4.78 119.74 124.08 1b9l s LYS 22 Ca 0.00 2.19 -0.18 0.00 0.02 0.00 0.00 55.97 58.00 1b9l s LYS 22 Cb 0.00 -3.08 0.11 0.00 -0.52 0.00 0.00 37.83 34.34 1b9l s LYS 22 CO 0.00 -0.18 1.27 0.39 -0.92 0.00 0.00 175.35 175.92 1b9l n GLU 23 N 0.95 -0.25 -0.23 1.68 -0.58 -1.26 -0.31 120.64 120.64 1b9l n GLU 23 Ca 0.00 1.26 -0.06 0.00 -0.42 0.00 0.00 57.16 57.95 1b9l n GLU 23 Cb 0.42 -1.86 0.05 0.00 -0.57 0.00 0.00 31.44 29.48 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 0.87 -0.27 3.49 4.81 -1.97 0.16 114.58 121.67 1b9l h GLU 24 Ca 0.23 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 1b9l h GLU 24 Cb 0.44 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1b9l h GLU 24 CO -0.80 0.58 -0.02 0.93 -0.73 0.00 0.00 179.01 178.97 1b9l h GLU 25 N 0.89 0.41 0.00 1.92 5.08 -0.93 -0.03 114.58 121.93 1b9l h GLU 25 Ca 0.24 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1b9l h GLU 25 Cb -0.10 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1b9l h GLU 25 CO -0.05 0.46 -0.73 -0.84 -1.00 0.00 0.00 179.01 176.84 1b9l h ILE 26 N 0.40 0.06 0.00 3.13 3.07 -0.51 -3.31 117.51 120.34 1b9l h ILE 26 Ca 0.09 -1.11 -0.15 0.00 1.55 0.00 0.00 64.86 65.24 1b9l h ILE 26 Cb 0.30 1.71 -0.03 0.00 -0.27 0.00 0.00 36.82 38.53 1b9l h ILE 26 CO 0.01 0.04 -1.23 0.78 -1.05 0.00 0.00 178.15 176.70 1b9l h ASN 27 N 0.00 0.00 -3.62 2.16 2.35 -0.15 -3.46 115.58 112.85 1b9l h ASN 27 Ca -0.01 0.00 -0.51 0.00 -0.55 0.00 0.00 56.30 55.22 1b9l h ASN 27 Cb 1.05 0.00 -0.32 0.00 0.05 0.00 0.00 38.32 39.10 1b9l h ASN 27 CO 0.01 0.55 -0.82 0.20 -1.65 0.00 0.00 177.43 175.71 1b9l s ASN 28 N -5.90 1.80 0.56 5.81 -0.87 -0.07 -5.07 114.94 111.20 1b9l s ASN 28 Ca -0.02 -0.30 -0.19 0.00 -1.57 0.00 0.00 52.86 50.78 1b9l s ASN 28 Cb 0.09 -0.68 -0.05 0.00 -0.02 0.00 0.00 41.25 40.59 1b9l s ASN 28 CO 0.80 0.07 1.17 -0.13 -2.57 0.00 0.00 177.10 176.44 1b9l s ARG 29 N 0.40 3.22 0.26 -0.60 0.52 -1.26 -4.64 118.95 116.85 1b9l s ARG 29 Ca -0.10 1.72 0.11 0.00 -0.52 0.00 0.00 55.73 56.95 1b9l s ARG 29 Cb -0.13 -2.00 -0.05 0.00 0.52 0.00 0.00 34.95 33.29 1b9l s ARG 29 CO 0.03 -0.98 -0.13 -0.65 0.02 0.00 0.00 175.30 173.58 1b9l s GLN 30 N -3.26 1.89 -0.02 3.54 -0.21 0.46 -4.81 119.66 117.25 1b9l s GLN 30 Ca 0.74 -1.61 -0.23 0.00 0.02 0.00 0.00 55.36 54.28 1b9l s GLN 30 Cb -0.27 -1.93 -0.05 0.00 1.00 0.00 0.00 33.01 31.77 1b9l s GLN 30 CO 0.30 0.35 0.69 -0.51 -2.12 0.00 0.00 175.29 174.00 1b9l s ASP 31 N -3.45 7.05 0.06 5.90 1.01 -1.26 -1.91 116.67 124.06 1b9l s ASP 31 Ca 0.29 1.26 0.03 0.00 0.71 0.00 0.00 52.55 54.84 1b9l s ASP 31 Cb -0.06 -2.42 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 1b9l s ASP 31 CO 0.16 -0.01 -0.10 0.27 0.21 0.00 0.00 175.17 175.70 1b9l s ILE 32 N 0.26 0.76 -0.16 0.77 -4.36 -0.56 -2.91 121.20 115.00 1b9l s ILE 32 Ca 0.36 -1.22 0.02 0.00 -0.26 0.00 0.00 60.65 59.55 1b9l s ILE 32 Cb -0.19 -0.84 0.02 0.00 1.25 0.00 0.00 42.46 42.69 1b9l s ILE 32 CO 0.19 -0.36 -0.20 -0.69 0.24 0.00 0.00 174.94 174.12 1b9l s VAL 33 N -1.49 2.01 -0.17 8.37 1.01 -0.73 -2.51 120.40 126.90 1b9l s VAL 33 Ca -0.06 -0.93 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 1b9l s VAL 33 Cb -0.09 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1b9l s VAL 33 CO 0.01 0.54 0.08 -0.63 0.00 0.00 0.00 175.10 175.09 1b9l s ILE 34 N 1.06 4.93 -0.11 2.22 1.01 0.28 -1.25 121.20 129.35 1b9l s ILE 34 Ca -0.01 0.01 0.01 0.00 0.00 0.00 0.00 60.65 60.66 1b9l s ILE 34 Cb -0.14 -3.20 0.02 0.00 0.01 0.00 0.00 42.46 39.14 1b9l s ILE 34 CO -0.07 0.50 -0.11 0.20 0.00 0.00 0.00 174.94 175.45 1b9l s ASN 35 N 0.04 2.21 -0.12 3.58 -0.87 -0.28 -0.58 114.94 118.92 1b9l s ASN 35 Ca 0.06 -0.36 0.03 0.00 -1.57 0.00 0.00 52.86 51.03 1b9l s ASN 35 Cb -0.12 -0.94 0.00 0.00 -0.02 0.00 0.00 41.25 40.17 1b9l s ASN 35 CO 0.00 -0.04 -0.21 -0.69 -2.57 0.00 0.00 177.10 173.59 1b9l s VAL 36 N 1.27 2.22 -0.14 1.60 1.01 -0.88 -1.36 120.40 124.12 1b9l s VAL 36 Ca -0.02 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.03 1b9l s VAL 36 Cb -0.14 -1.88 0.01 0.00 0.00 0.00 0.00 36.38 34.37 1b9l s VAL 36 CO -0.04 0.55 -0.20 -0.89 0.00 0.00 0.00 175.10 174.51 1b9l s THR 37 N 0.54 2.23 -0.05 3.92 2.01 -0.33 -0.56 115.64 123.39 1b9l s THR 37 Ca -0.13 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 60.96 1b9l s THR 37 Cb -0.17 -1.90 0.02 0.00 0.01 0.00 0.00 72.50 70.46 1b9l s THR 37 CO 0.04 0.54 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.79 1b9l s ILE 38 N 0.74 0.92 0.05 1.82 1.01 0.10 -0.56 121.20 125.28 1b9l s ILE 38 Ca -0.08 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.24 1b9l s ILE 38 Cb -0.16 -0.86 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 1b9l s ILE 38 CO 0.00 0.31 -0.00 -1.00 0.00 0.00 0.00 174.94 174.24 1b9l s HIS 39 N 0.70 3.01 0.09 3.97 3.76 0.38 -0.30 115.29 126.90 1b9l s HIS 39 Ca -0.13 0.01 -0.26 0.00 -0.15 0.00 0.00 55.06 54.54 1b9l s HIS 39 Cb -0.15 -1.59 0.08 0.00 1.11 0.00 0.00 32.58 32.03 1b9l s HIS 39 CO 0.02 0.46 0.73 1.52 -0.85 0.00 0.00 174.74 176.63 1b9l s TYR 40 N -1.20 -0.45 -0.19 1.40 1.13 -0.66 -0.71 117.35 116.67 1b9l s TYR 40 Ca 0.23 0.27 -0.40 0.00 -1.41 0.00 0.00 57.07 55.76 1b9l s TYR 40 Cb -0.12 0.55 -0.17 0.00 -1.10 0.00 0.00 41.96 41.13 1b9l s TYR 40 CO 0.14 -0.71 1.56 -2.30 -2.51 0.00 0.00 175.55 171.73 1b9l n PRO 41 N -0.32 0.90 0.04 -3.49 -0.02 -1.26 0.15 135.00 130.99 1b9l n PRO 41 Ca -0.13 0.33 0.02 0.00 -2.02 0.00 0.00 63.50 61.69 1b9l n PRO 41 Cb 0.64 -1.96 0.37 0.00 -0.02 0.00 0.00 33.50 32.53 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 5.85 1.52 -0.24 3.55 0.00 -1.87 -2.11 119.26 125.97 1b9l h ALA 42 Ca -0.47 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.24 1b9l h ALA 42 Cb 1.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1b9l h ALA 42 CO 0.89 0.35 -0.07 0.38 0.00 0.00 0.00 179.25 180.80 1b9l h ASP 43 N 0.43 0.47 0.61 0.00 2.03 -1.90 -2.65 116.42 115.41 1b9l h ASP 43 Ca 0.10 -0.38 -0.03 0.00 -0.73 0.00 0.00 57.03 55.99 1b9l h ASP 43 Cb 0.22 -0.13 -0.00 0.00 -0.83 0.00 0.00 39.33 38.58 1b9l h ASP 43 CO 0.00 0.74 -0.16 0.11 -1.03 0.00 0.00 179.24 178.90 1b9l h LYS 44 N 0.20 0.00 -0.78 4.15 1.57 -1.87 -3.12 116.57 116.72 1b9l h LYS 44 Ca 0.06 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 1b9l h LYS 44 Cb 0.54 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.79 1b9l h LYS 44 CO 0.03 0.16 0.47 0.00 -0.57 0.00 0.00 179.45 179.54 1b9l h ALA 45 N 1.84 1.06 0.00 3.86 0.00 -1.00 0.18 119.26 125.19 1b9l h ALA 45 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1b9l h ALA 45 Cb 0.51 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1b9l h ALA 45 CO 0.02 0.20 0.00 -2.13 0.00 0.00 0.00 179.25 177.35 1b9l n ARG 46 N -4.67 0.57 -3.70 0.00 3.00 -1.18 -4.48 116.66 106.21 1b9l n ARG 46 Ca 0.10 0.00 -0.29 0.00 -0.00 0.00 0.00 57.85 57.67 1b9l n ARG 46 Cb 0.16 -1.17 -0.16 0.00 0.00 0.00 0.00 32.46 31.29 1b9l n ARG 46 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1b9l s THR 47 N -2.00 0.55 0.00 5.15 -4.23 0.63 -4.77 115.64 110.97 1b9l s THR 47 Ca 0.10 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1b9l s THR 47 Cb 0.04 -1.27 0.00 0.00 1.34 0.00 0.00 72.50 72.61 1b9l s THR 47 CO 0.07 -0.49 0.00 -1.20 -0.54 0.00 0.00 174.62 172.46 1b9l n SER 48 N 5.01 0.00 0.13 3.99 7.64 -1.22 -4.03 113.62 125.14 1b9l n SER 48 Ca -0.06 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.60 1b9l n SER 48 Cb 0.44 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.49 1b9l n SER 48 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1b9l h GLU 49 N 0.00 0.45 0.00 1.43 4.11 -1.92 -3.38 114.58 115.27 1b9l h GLU 49 Ca 0.00 -0.77 -0.08 0.00 0.07 0.00 0.00 59.36 58.57 1b9l h GLU 49 Cb 0.00 0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1b9l h GLU 49 CO 0.00 1.37 -0.53 0.22 0.07 0.00 0.00 179.01 180.13 1b9l h ASP 50 N 0.12 0.00 -3.76 3.06 1.82 -1.86 -3.47 116.42 112.33 1b9l h ASP 50 Ca -0.23 -0.51 -0.68 0.00 -0.39 0.00 0.00 57.03 55.21 1b9l h ASP 50 Cb 2.11 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 41.92 1b9l h ASP 50 CO 0.25 1.06 -0.72 0.27 -1.61 0.00 0.00 179.24 178.49 1b9l s ILE 51 N -2.17 3.49 0.00 2.25 -4.36 -1.26 -5.07 121.20 114.08 1b9l s ILE 51 Ca -0.19 -0.63 0.00 0.00 -0.26 0.00 0.00 60.65 59.58 1b9l s ILE 51 Cb 0.01 -2.43 0.00 0.00 1.25 0.00 0.00 42.46 41.29 1b9l s ILE 51 CO 0.47 0.55 0.00 0.59 0.24 0.00 0.00 174.94 176.79 1b9l n ASN 52 N 2.09 0.00 -3.72 4.36 3.02 -1.26 -3.39 115.26 116.36 1b9l n ASN 52 Ca -0.17 0.00 -0.05 0.00 -0.03 0.00 0.00 54.58 54.33 1b9l n ASN 52 Cb 0.53 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.68 1b9l n ASN 52 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1b9l n ASP 53 N 0.00 -0.40 -4.76 6.41 8.00 -1.26 -4.84 116.55 119.69 1b9l n ASP 53 Ca 0.00 -0.81 -0.38 0.00 0.71 0.00 0.00 54.79 54.30 1b9l n ASP 53 Cb 0.00 -0.09 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1b9l n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1b9l s ALA 54 N 2.94 3.05 -0.48 2.24 0.00 -1.26 -4.94 121.76 123.31 1b9l s ALA 54 Ca 0.07 1.13 -0.28 0.00 0.00 0.00 0.00 51.96 52.89 1b9l s ALA 54 Cb 0.02 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.70 1b9l s ALA 54 CO 0.04 -0.87 1.08 -1.17 0.00 0.00 0.00 175.76 174.83 1b9l s LEU 55 N -2.90 3.74 -0.47 0.00 0.20 -1.26 -4.98 118.68 113.01 1b9l s LEU 55 Ca 0.63 0.35 -0.13 0.00 0.69 0.00 0.00 54.13 55.67 1b9l s LEU 55 Cb -0.35 -3.44 0.09 0.00 -0.43 0.00 0.00 46.19 42.06 1b9l s LEU 55 CO 0.43 -1.20 0.38 0.21 -0.29 0.00 0.00 176.35 175.88 1b9l s ASN 56 N 2.42 5.99 0.60 3.68 3.84 -1.26 -4.92 114.94 125.29 1b9l s ASN 56 Ca 0.45 -1.53 0.32 0.00 0.21 0.00 0.00 52.86 52.30 1b9l s ASN 56 Cb -0.08 -2.12 1.92 0.00 -0.55 0.00 0.00 41.25 40.42 1b9l s ASN 56 CO 0.30 -0.67 2.27 0.10 -2.79 0.00 0.00 177.10 176.31 1b9l h TYR 57 N 8.67 0.00 -0.31 0.43 -0.00 -2.00 -1.66 116.97 122.09 1b9l h TYR 57 Ca -0.27 0.00 -0.15 0.00 0.00 0.00 0.00 58.73 58.32 1b9l h TYR 57 Cb 1.10 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.82 1b9l h TYR 57 CO 0.65 0.00 -0.40 0.00 -0.00 0.00 0.00 178.16 178.42 1b9l h ARG 58 N 0.00 0.76 -0.20 0.10 3.08 -2.00 -1.90 114.38 114.22 1b9l h ARG 58 Ca -0.00 -0.39 -0.19 0.00 0.07 0.00 0.00 59.98 59.46 1b9l h ARG 58 Cb 0.01 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1b9l h ARG 58 CO 0.00 1.02 -0.65 1.15 -1.07 0.00 0.00 179.97 180.42 1b9l h THR 59 N 0.62 1.30 -0.50 2.04 2.02 -1.74 -1.85 112.91 114.81 1b9l h THR 59 Ca 0.05 -1.88 0.01 0.00 0.77 0.00 0.00 66.41 65.37 1b9l h THR 59 Cb 0.95 1.83 -0.03 0.00 -1.74 0.00 0.00 68.15 69.16 1b9l h THR 59 CO 0.09 0.59 0.32 0.58 0.37 0.00 0.00 175.52 177.47 1b9l h VAL 60 N 0.53 1.10 -0.18 3.16 2.07 -1.30 -1.46 116.25 120.16 1b9l h VAL 60 Ca -0.01 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.26 1b9l h VAL 60 Cb 1.24 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1b9l h VAL 60 CO 0.13 0.12 0.00 0.74 0.02 0.00 0.00 177.57 178.58 1b9l h THR 61 N 0.65 1.25 -0.59 2.57 2.02 -1.32 -1.66 112.91 115.84 1b9l h THR 61 Ca 0.19 -0.85 0.10 0.00 0.77 0.00 0.00 66.41 66.62 1b9l h THR 61 Cb -0.04 1.47 -0.08 0.00 -1.74 0.00 0.00 68.15 67.75 1b9l h THR 61 CO -0.06 0.26 0.16 0.50 0.37 0.00 0.00 175.52 176.75 1b9l h LYS 62 N 0.07 0.30 -0.67 6.66 3.64 -1.16 0.48 116.57 125.88 1b9l h LYS 62 Ca 0.05 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 1b9l h LYS 62 Cb 0.38 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.11 1b9l h LYS 62 CO 0.01 0.20 0.18 -0.91 -2.27 0.00 0.00 179.45 176.66 1b9l h ASN 63 N 0.31 1.01 -0.15 4.20 2.35 -1.15 -1.45 115.58 120.70 1b9l h ASN 63 Ca 0.30 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 1b9l h ASN 63 Cb 0.42 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 1b9l h ASN 63 CO -0.35 0.97 0.05 0.40 -1.65 0.00 0.00 177.43 176.84 1b9l h ILE 64 N 0.99 1.17 0.25 2.81 2.04 -0.50 -1.92 117.51 122.36 1b9l h ILE 64 Ca 0.21 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1b9l h ILE 64 Cb 0.34 1.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.68 1b9l h ILE 64 CO -0.00 0.16 -0.13 0.40 0.00 0.00 0.00 178.15 178.58 1b9l h ILE 65 N 0.06 0.73 -0.09 -0.67 2.04 -0.83 -0.10 117.51 118.65 1b9l h ILE 65 Ca 0.05 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.95 1b9l h ILE 65 Cb 0.21 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 36.97 1b9l h ILE 65 CO -0.00 0.00 -0.24 -0.61 0.00 0.00 0.00 178.15 177.30 1b9l h GLN 66 N -0.35 -0.31 -0.81 2.37 4.15 -1.28 0.15 115.11 119.03 1b9l h GLN 66 Ca -0.03 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.37 1b9l h GLN 66 Cb 0.28 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 1b9l h GLN 66 CO 0.05 -0.21 0.34 1.25 -1.93 0.00 0.00 178.83 178.33 1b9l h HIS 67 N -0.33 1.22 0.25 3.99 2.76 -1.26 -1.32 115.15 120.46 1b9l h HIS 67 Ca 0.09 -0.08 -0.01 0.00 -2.20 0.00 0.00 60.37 58.16 1b9l h HIS 67 Cb 0.46 -0.37 0.00 0.00 1.55 0.00 0.00 27.41 29.05 1b9l h HIS 67 CO -0.32 0.91 -0.12 0.28 -1.30 0.00 0.00 177.93 177.38 1b9l h VAL 68 N 1.18 0.74 0.00 5.26 2.07 -0.64 -3.32 116.25 121.54 1b9l h VAL 68 Ca 0.27 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.93 1b9l h VAL 68 Cb 0.19 1.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1b9l h VAL 68 CO -0.03 0.16 -0.17 -0.33 0.02 0.00 0.00 177.57 177.22 1b9l h GLU 69 N -0.81 0.00 -1.02 1.57 5.08 -0.97 -3.03 114.58 115.40 1b9l h GLU 69 Ca -0.03 0.00 -0.55 0.00 -1.00 0.00 0.00 59.36 57.77 1b9l h GLU 69 Cb 0.51 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 29.48 1b9l h GLU 69 CO 0.06 0.17 0.71 0.09 -1.00 0.00 0.00 179.01 179.04 1b9l n ASN 70 N -3.69 5.31 -3.31 1.42 5.03 -0.50 -4.97 115.26 114.55 1b9l n ASN 70 Ca -0.02 -3.60 -0.11 0.00 0.87 0.00 0.00 54.58 51.73 1b9l n ASN 70 Cb 0.29 -0.89 -0.02 0.00 -1.02 0.00 0.00 39.78 38.14 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 -1.35 0.31 -0.04 6.41 -0.87 -1.15 -4.99 114.94 113.26 1b9l s ASN 71 Ca 0.57 -1.19 0.03 0.00 -1.57 0.00 0.00 52.86 50.70 1b9l s ASN 71 Cb 0.46 0.73 0.01 0.00 -0.02 0.00 0.00 41.25 42.43 1b9l s ASN 71 CO 0.06 -1.42 -0.12 -0.13 -2.57 0.00 0.00 177.10 172.92 1b9l s ARG 72 N -3.02 1.43 -0.00 -0.60 0.52 -1.26 -4.26 118.95 111.76 1b9l s ARG 72 Ca 0.22 -0.42 0.08 0.00 -0.52 0.00 0.00 55.73 55.09 1b9l s ARG 72 Cb -0.03 -1.24 -0.02 0.00 0.52 0.00 0.00 34.95 34.18 1b9l s ARG 72 CO 0.14 0.11 -0.25 -0.06 0.02 0.00 0.00 175.30 175.26 1b9l s PHE 73 N 0.34 2.26 0.00 -0.53 0.40 -0.26 -5.03 117.98 115.16 1b9l s PHE 73 Ca -0.08 -0.42 -0.05 0.00 -0.60 0.00 0.00 56.93 55.79 1b9l s PHE 73 Cb -0.12 -1.43 -0.28 0.00 0.51 0.00 0.00 43.02 41.70 1b9l s PHE 73 CO 0.02 0.00 0.86 0.66 0.70 0.00 0.00 175.22 177.46 1b9l h SER 74 N 5.32 0.44 -4.77 1.36 4.64 -1.85 0.16 113.55 118.86 1b9l h SER 74 Ca -0.43 -0.60 -0.22 0.00 -0.47 0.00 0.00 61.79 60.07 1b9l h SER 74 Cb 1.13 -0.14 -0.17 0.00 -0.31 0.00 0.00 62.40 62.90 1b9l h SER 74 CO 0.46 1.50 -0.71 -0.76 -0.87 0.00 0.00 176.83 176.45 1b9l s LEU 75 N -7.06 2.41 0.12 5.97 1.02 -1.26 -3.56 118.68 116.32 1b9l s LEU 75 Ca -0.09 -0.83 -0.16 0.00 0.02 0.00 0.00 54.13 53.07 1b9l s LEU 75 Cb 0.07 -0.05 -0.03 0.00 0.02 0.00 0.00 46.19 46.19 1b9l s LEU 75 CO 0.86 -0.39 1.59 -0.07 0.02 0.00 0.00 176.35 178.36 1b9l h LEU 76 N 3.59 0.60 -0.51 1.79 3.38 -1.99 -2.88 115.31 119.30 1b9l h LEU 76 Ca -0.35 -0.27 0.10 0.00 0.09 0.00 0.00 57.88 57.45 1b9l h LEU 76 Cb 1.18 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.68 1b9l h LEU 76 CO 0.56 0.73 -0.05 -0.33 0.09 0.00 0.00 178.44 179.43 1b9l h GLU 77 N 0.46 0.06 0.32 1.13 3.07 -1.98 0.26 114.58 117.90 1b9l h GLU 77 Ca 0.11 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1b9l h GLU 77 Cb 0.39 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1b9l h GLU 77 CO 0.01 0.04 -0.25 0.87 -1.40 0.00 0.00 179.01 178.28 1b9l h LYS 78 N 0.06 -0.56 -0.50 2.33 6.56 -1.96 -0.58 116.57 121.92 1b9l h LYS 78 Ca 0.25 0.04 0.08 0.00 -1.06 0.00 0.00 60.65 59.96 1b9l h LYS 78 Cb 0.39 0.13 -0.06 0.00 -0.57 0.00 0.00 32.23 32.12 1b9l h LYS 78 CO -0.47 -0.37 0.14 1.25 -2.06 0.00 0.00 179.45 177.94 1b9l h LEU 79 N -0.58 0.09 -0.95 2.94 5.85 -1.09 0.30 115.31 121.86 1b9l h LEU 79 Ca -0.02 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1b9l h LEU 79 Cb 0.51 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.59 1b9l h LEU 79 CO -0.01 0.08 0.38 0.74 -0.34 0.00 0.00 178.44 179.29 1b9l h THR 80 N 0.29 1.25 0.14 1.05 2.02 -0.34 -1.76 112.91 115.56 1b9l h THR 80 Ca 0.25 -0.68 -0.01 0.00 0.77 0.00 0.00 66.41 66.74 1b9l h THR 80 Cb 0.30 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1b9l h THR 80 CO -0.29 0.29 -0.07 -0.61 0.37 0.00 0.00 175.52 175.22 1b9l h GLN 81 N 1.13 -0.18 -0.62 6.66 5.75 0.28 -0.97 115.11 127.15 1b9l h GLN 81 Ca 0.27 0.01 0.13 0.00 -0.15 0.00 0.00 58.65 58.91 1b9l h GLN 81 Cb 0.11 0.04 -0.11 0.00 1.07 0.00 0.00 27.48 28.58 1b9l h GLN 81 CO -0.04 0.07 -0.12 -0.44 -2.65 0.00 0.00 178.83 175.66 1b9l h ASP 82 N -0.42 -0.50 -0.29 -0.69 5.19 -0.77 0.61 116.42 119.54 1b9l h ASP 82 Ca -0.02 0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.55 1b9l h ASP 82 Cb 0.34 0.36 -0.01 0.00 0.18 0.00 0.00 39.33 40.19 1b9l h ASP 82 CO 0.03 -0.19 0.12 0.58 -3.12 0.00 0.00 179.24 176.67 1b9l h VAL 83 N 0.02 1.17 -0.59 -1.35 2.07 -1.23 -1.98 116.25 114.36 1b9l h VAL 83 Ca 0.30 -0.53 0.10 0.00 0.82 0.00 0.00 66.70 67.40 1b9l h VAL 83 Cb 0.48 0.98 -0.08 0.00 -1.52 0.00 0.00 31.29 31.14 1b9l h VAL 83 CO -0.61 0.18 0.16 0.25 0.02 0.00 0.00 177.57 177.57 1b9l h LEU 84 N 0.33 0.08 -0.15 2.57 5.85 0.37 0.36 115.31 124.71 1b9l h LEU 84 Ca 0.10 0.10 0.01 0.00 0.84 0.00 0.00 57.88 58.92 1b9l h LEU 84 Cb 0.17 0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1b9l h LEU 84 CO -0.01 0.06 0.09 0.44 -0.34 0.00 0.00 178.44 178.68 1b9l h ASP 85 N 0.31 0.15 -0.80 1.25 3.32 -0.80 0.35 116.42 120.19 1b9l h ASP 85 Ca 0.30 0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.38 1b9l h ASP 85 Cb 0.42 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1b9l h ASP 85 CO -0.36 0.11 0.53 0.40 -1.72 0.00 0.00 179.24 178.20 1b9l h ILE 86 N 0.19 1.14 -0.32 0.35 2.04 -0.43 -1.90 117.51 118.57 1b9l h ILE 86 Ca 0.06 -0.35 -0.17 0.00 1.00 0.00 0.00 64.86 65.40 1b9l h ILE 86 Cb -0.01 0.05 -0.00 0.00 -0.74 0.00 0.00 36.82 36.12 1b9l h ILE 86 CO -0.03 0.18 -0.46 0.00 0.00 0.00 0.00 178.15 177.85 1b9l h ALA 87 N 1.53 0.49 -0.37 1.87 0.00 0.42 -3.16 119.26 120.04 1b9l h ALA 87 Ca 0.32 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1b9l h ALA 87 Cb 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1b9l h ALA 87 CO -0.09 0.64 0.00 2.89 0.00 0.00 0.00 179.25 182.70 1b9l n ARG 88 N -4.06 2.41 0.11 0.00 1.85 0.04 -4.37 116.66 112.63 1b9l n ARG 88 Ca -0.04 -1.55 0.01 0.00 -1.00 0.00 0.00 57.85 55.27 1b9l n ARG 88 Cb 0.58 -1.55 0.33 0.00 -1.05 0.00 0.00 32.46 30.77 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 2.28 0.25 -6.84 2.89 4.81 -1.32 -3.44 114.58 113.20 1b9l h GLU 89 Ca 0.00 -0.07 -0.51 0.00 -0.13 0.00 0.00 59.36 58.65 1b9l h GLU 89 Cb 0.84 -0.03 0.04 0.00 0.63 0.00 0.00 28.75 30.23 1b9l h GLU 89 CO 0.11 0.46 0.53 -1.58 -0.73 0.00 0.00 179.01 177.79 1b9l s HIS 90 N -4.55 3.36 -1.70 0.92 2.46 -1.26 -4.92 115.29 109.60 1b9l s HIS 90 Ca -0.05 1.60 0.14 0.00 0.47 0.00 0.00 55.06 57.21 1b9l s HIS 90 Cb 0.15 -3.42 0.76 0.00 -0.13 0.00 0.00 32.58 29.95 1b9l s HIS 90 CO 0.75 -1.03 1.32 -2.39 -2.47 0.00 0.00 174.74 170.91 1b9l n HIS 91 N 0.95 0.00 0.06 3.88 1.44 -1.26 -2.54 115.22 117.75 1b9l n HIS 91 Ca -0.00 0.00 0.06 0.00 -2.01 0.00 0.00 57.72 55.77 1b9l n HIS 91 Cb 0.44 -0.15 -0.05 0.00 0.12 0.00 0.00 29.99 30.35 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 -1.15 0.85 -1.63 -1.40 7.02 -1.26 -4.92 117.44 114.95 1b9l n TRP 92 Ca 0.08 0.26 -0.46 0.00 -1.02 0.00 0.00 57.50 56.37 1b9l n TRP 92 Cb 0.08 -0.97 -0.04 0.00 -2.42 0.00 0.00 31.31 27.96 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 -2.72 0.53 -0.04 -0.99 0.31 -1.05 -4.39 118.33 109.98 1b9l n VAL 93 Ca -0.05 -0.21 -0.20 0.00 -0.01 0.00 0.00 64.34 63.86 1b9l n VAL 93 Cb 0.68 -2.11 -0.13 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 6.09 1.12 -3.78 2.52 2.02 -1.25 -3.47 112.91 116.15 1b9l h THR 94 Ca -0.45 -2.33 -0.17 0.00 0.77 0.00 0.00 66.41 64.24 1b9l h THR 94 Cb 1.26 2.68 -0.22 0.00 -1.74 0.00 0.00 68.15 70.14 1b9l h THR 94 CO 0.96 0.58 -0.63 -0.47 0.37 0.00 0.00 175.52 176.33 1b9l s TYR 95 N -2.40 0.15 -0.10 3.16 5.04 -1.21 -2.46 117.35 119.53 1b9l s TYR 95 Ca -0.22 -0.32 -0.07 0.00 -2.44 0.00 0.00 57.07 54.01 1b9l s TYR 95 Cb 0.04 -0.12 0.03 0.00 0.35 0.00 0.00 41.96 42.26 1b9l s TYR 95 CO 0.70 -0.20 0.25 0.00 -1.34 0.00 0.00 175.55 174.96 1b9l s ALA 96 N -1.26 -0.59 0.02 3.97 0.00 -1.00 -0.47 121.76 122.42 1b9l s ALA 96 Ca -0.14 0.83 0.03 0.00 0.00 0.00 0.00 51.96 52.68 1b9l s ALA 96 Cb -0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 23.12 22.52 1b9l s ALA 96 CO -0.00 -0.15 -0.09 -2.00 0.00 0.00 0.00 175.76 173.52 1b9l s GLU 97 N 0.62 0.63 -0.08 0.00 2.12 0.28 -0.71 118.70 121.55 1b9l s GLU 97 Ca -0.04 -0.53 -0.03 0.00 0.36 0.00 0.00 54.97 54.73 1b9l s GLU 97 Cb -0.05 -0.54 0.05 0.00 0.26 0.00 0.00 34.13 33.84 1b9l s GLU 97 CO -0.04 0.13 0.14 0.08 -0.54 0.00 0.00 175.26 175.04 1b9l s VAL 98 N -0.72 -0.24 -0.10 3.70 1.01 -0.38 -1.19 120.40 122.48 1b9l s VAL 98 Ca -0.02 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1b9l s VAL 98 Cb -0.06 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 1b9l s VAL 98 CO 0.00 0.14 -0.17 -0.70 0.00 0.00 0.00 175.10 174.38 1b9l s GLU 99 N 2.27 3.07 -0.17 2.72 2.12 -0.47 -2.02 118.70 126.23 1b9l s GLU 99 Ca 0.03 -0.76 0.01 0.00 0.36 0.00 0.00 54.97 54.61 1b9l s GLU 99 Cb -0.12 -2.46 0.03 0.00 0.26 0.00 0.00 34.13 31.84 1b9l s GLU 99 CO -0.05 0.29 -0.12 0.42 -0.54 0.00 0.00 175.26 175.25 1b9l s ILE 100 N 0.12 1.60 -0.13 -3.70 1.01 -0.60 -1.13 121.20 118.38 1b9l s ILE 100 Ca -0.08 -0.81 -0.19 0.00 0.00 0.00 0.00 60.65 59.56 1b9l s ILE 100 Cb -0.15 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.69 1b9l s ILE 100 CO 0.05 0.32 0.54 -1.81 0.00 0.00 0.00 174.94 174.05 1b9l s ASP 101 N 1.45 6.73 -0.75 3.58 1.01 -0.38 -1.56 116.67 126.74 1b9l s ASP 101 Ca 0.02 0.87 -0.13 0.00 0.71 0.00 0.00 52.55 54.02 1b9l s ASP 101 Cb -0.14 -2.32 0.19 0.00 1.01 0.00 0.00 42.92 41.66 1b9l s ASP 101 CO -0.10 -0.07 0.68 -0.75 0.21 0.00 0.00 175.17 175.14 1b9l s LYS 102 N 0.92 3.37 -0.07 8.23 2.20 0.64 -1.78 119.74 133.25 1b9l s LYS 102 Ca 0.28 -2.31 -0.37 0.00 -0.36 0.00 0.00 55.97 53.22 1b9l s LYS 102 Cb -0.16 -4.33 -0.15 0.00 -1.51 0.00 0.00 37.83 31.68 1b9l s LYS 102 CO 0.12 -1.29 1.64 1.28 -0.36 0.00 0.00 175.35 176.74 1b9l n LEU 103 N 4.20 2.53 -3.70 5.43 4.32 -1.15 -2.77 117.00 125.87 1b9l n LEU 103 Ca 0.07 1.07 -0.28 0.00 -0.02 0.00 0.00 56.01 56.85 1b9l n LEU 103 Cb 0.45 -1.25 0.03 0.00 -1.62 0.00 0.00 43.42 41.03 1b9l n LEU 103 CO 0.37 -0.49 -0.09 1.41 -1.22 0.00 0.00 177.39 177.37 1b9l n HIS 104 N 4.59 -1.90 0.03 -1.77 8.25 -0.60 -4.84 115.22 118.98 1b9l n HIS 104 Ca 0.22 0.59 -0.18 0.00 -0.26 0.00 0.00 57.72 58.09 1b9l n HIS 104 Cb 0.21 -3.69 -0.14 0.00 1.12 0.00 0.00 29.99 27.49 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 0.77 0.41 -3.35 -1.41 0.00 -1.77 -3.45 119.26 110.46 1b9l h ALA 105 Ca -0.65 -1.29 -0.67 0.00 0.00 0.00 0.00 54.91 52.30 1b9l h ALA 105 Cb 1.36 0.51 -0.16 0.00 0.00 0.00 0.00 17.79 19.50 1b9l h ALA 105 CO 0.51 1.27 -0.63 -0.51 0.00 0.00 0.00 179.25 179.90 1b9l s LEU 106 N -6.88 3.52 0.37 0.00 2.01 -1.26 -5.07 118.68 111.37 1b9l s LEU 106 Ca -0.14 0.10 -0.25 0.00 0.01 0.00 0.00 54.13 53.84 1b9l s LEU 106 Cb 0.07 -1.81 -0.09 0.00 0.01 0.00 0.00 46.19 44.37 1b9l s LEU 106 CO 0.82 0.35 1.06 0.00 1.01 0.00 0.00 176.35 179.58 1b9l s ARG 107 N -0.69 4.29 0.00 1.70 1.70 -1.26 -2.94 118.95 121.75 1b9l s ARG 107 Ca 0.11 1.58 0.00 0.00 -0.47 0.00 0.00 55.73 56.95 1b9l s ARG 107 Cb -0.12 -2.70 0.00 0.00 -0.57 0.00 0.00 34.95 31.56 1b9l s ARG 107 CO 0.02 -0.05 0.00 0.66 -1.08 0.00 0.00 175.30 174.85 1b9l n TYR 108 N 0.25 0.00 -4.64 5.89 4.01 -1.26 -5.02 117.16 116.39 1b9l n TYR 108 Ca 0.03 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.54 1b9l n TYR 108 Cb 0.48 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.37 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 -3.35 1.34 0.19 -0.72 0.00 -1.15 -5.05 121.76 113.02 1b9l s ALA 109 Ca 0.00 -0.77 -0.13 0.00 0.00 0.00 0.00 51.96 51.07 1b9l s ALA 109 Cb 0.00 -0.30 0.20 0.00 0.00 0.00 0.00 23.12 23.02 1b9l s ALA 109 CO 0.00 0.31 1.72 -0.44 0.00 0.00 0.00 175.76 177.35 1b9l h ASP 110 N 5.43 0.03 -5.77 0.00 5.19 -1.95 -3.40 116.42 115.95 1b9l h ASP 110 Ca -0.37 0.09 0.32 0.00 -0.62 0.00 0.00 57.03 56.45 1b9l h ASP 110 Cb 1.16 0.11 -0.09 0.00 0.18 0.00 0.00 39.33 40.69 1b9l h ASP 110 CO 0.47 0.04 0.84 -0.94 -3.12 0.00 0.00 179.24 176.54 1b9l s SER 111 N -5.32 -0.02 -0.04 6.45 1.04 -1.26 -1.56 113.70 112.99 1b9l s SER 111 Ca -0.13 -0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.12 1b9l s SER 111 Cb 0.15 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1b9l s SER 111 CO 0.73 -0.35 -0.12 0.54 0.98 0.00 0.00 173.24 175.02 1b9l s VAL 112 N -2.22 1.05 0.28 5.02 0.11 -1.18 -4.92 120.40 118.55 1b9l s VAL 112 Ca 0.22 -0.50 0.08 0.00 -2.93 0.00 0.00 61.98 58.85 1b9l s VAL 112 Cb 0.02 -0.93 -0.06 0.00 -1.53 0.00 0.00 36.38 33.88 1b9l s VAL 112 CO -0.02 0.32 -0.08 -0.94 -3.33 0.00 0.00 175.10 171.05 1b9l s SER 113 N 0.23 2.97 -0.08 3.54 1.04 -1.26 -0.26 113.70 119.88 1b9l s SER 113 Ca -0.05 -1.16 0.02 0.00 0.48 0.00 0.00 55.95 55.23 1b9l s SER 113 Cb -0.11 -0.21 0.01 0.00 0.10 0.00 0.00 66.02 65.82 1b9l s SER 113 CO 0.02 -0.27 -0.13 -0.32 0.98 0.00 0.00 173.24 173.51 1b9l s MET 114 N -3.68 1.82 -0.07 4.02 1.75 -0.60 -4.95 119.30 117.59 1b9l s MET 114 Ca 0.29 -0.44 0.05 0.00 -1.25 0.00 0.00 55.69 54.35 1b9l s MET 114 Cb 0.02 -1.54 -0.01 0.00 2.84 0.00 0.00 34.83 36.14 1b9l s MET 114 CO 0.12 -0.01 -0.24 0.99 -0.65 0.00 0.00 175.02 175.23 1b9l s THR 115 N 0.82 2.14 0.01 10.11 2.01 -1.26 -1.55 115.64 127.91 1b9l s THR 115 Ca -0.11 -1.03 0.01 0.00 0.31 0.00 0.00 61.69 60.87 1b9l s THR 115 Cb -0.15 -1.79 -0.01 0.00 0.01 0.00 0.00 72.50 70.56 1b9l s THR 115 CO 0.02 0.57 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.71 1b9l s LEU 116 N -0.09 2.07 0.10 4.42 1.43 -0.86 -5.00 118.68 120.77 1b9l s LEU 116 Ca -0.06 -0.20 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 1b9l s LEU 116 Cb -0.14 -0.18 -0.04 0.00 0.03 0.00 0.00 46.19 45.85 1b9l s LEU 116 CO 0.04 -0.02 -0.02 -0.94 0.23 0.00 0.00 176.35 175.64 1b9l s SER 117 N -0.49 0.84 0.01 2.29 1.04 -1.26 -1.25 113.70 114.88 1b9l s SER 117 Ca -0.02 -1.07 0.03 0.00 0.48 0.00 0.00 55.95 55.37 1b9l s SER 117 Cb -0.04 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 1b9l s SER 117 CO -0.00 -0.56 -0.08 0.86 0.98 0.00 0.00 173.24 174.43 1b9l s TRP 118 N -3.78 0.73 0.26 5.02 -0.00 0.11 -5.00 118.94 116.27 1b9l s TRP 118 Ca 0.15 -0.24 0.11 0.00 -0.00 0.00 0.00 56.10 56.12 1b9l s TRP 118 Cb 0.07 -0.45 -0.05 0.00 -0.00 0.00 0.00 33.47 33.04 1b9l s TRP 118 CO -0.04 -0.02 -0.16 -0.65 -0.00 0.00 0.00 176.95 176.08 1b9l s GLN 119 N -0.62 1.80 0.00 5.86 -1.52 -1.26 -2.38 119.66 121.53 1b9l s GLN 119 Ca -0.00 -1.63 0.00 0.00 -1.95 0.00 0.00 55.36 51.78 1b9l s GLN 119 Cb -0.05 -1.88 0.00 0.00 -0.22 0.00 0.00 33.01 30.86 1b9l s GLN 119 CO 0.00 0.35 0.00 0.54 -0.25 0.00 0.00 175.29 175.94