#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 1.29 0.00 0.00 -0.06 -1.26 -5.05 117.38 112.30 1b9l n GLN 3 Ca 0.00 -4.02 0.00 0.00 -2.00 0.00 0.00 57.00 50.98 1b9l n GLN 3 Cb 0.00 -2.04 0.00 0.00 -4.06 0.00 0.00 30.24 24.14 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 2.16 0.00 -3.64 3.69 -0.02 -1.26 -4.73 135.00 131.20 1b9l n PRO 4 Ca 0.24 0.00 -0.21 0.00 -2.02 0.00 0.00 63.50 61.51 1b9l n PRO 4 Cb 0.40 -0.46 -0.17 0.00 -0.02 0.00 0.00 33.50 33.25 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 0.00 0.21 -0.09 3.55 0.00 -1.26 -2.35 121.76 121.82 1b9l s ALA 5 Ca 0.00 0.11 -0.19 0.00 0.00 0.00 0.00 51.96 51.87 1b9l s ALA 5 Cb 0.00 -0.80 -0.04 0.00 0.00 0.00 0.00 23.12 22.28 1b9l s ALA 5 CO 0.00 -0.73 0.52 0.00 0.00 0.00 0.00 175.76 175.56 1b9l s ALA 6 N 2.19 3.47 -0.18 0.00 0.00 0.77 -4.75 121.76 123.25 1b9l s ALA 6 Ca 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 51.96 51.86 1b9l s ALA 6 Cb -0.13 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.28 1b9l s ALA 6 CO -0.06 0.04 -0.05 0.42 0.00 0.00 0.00 175.76 176.11 1b9l s ILE 7 N 0.44 3.56 -0.14 0.00 1.01 -1.26 -1.96 121.20 122.84 1b9l s ILE 7 Ca 0.28 -0.46 -0.02 0.00 0.00 0.00 0.00 60.65 60.45 1b9l s ILE 7 Cb -0.16 -2.58 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 1b9l s ILE 7 CO 0.13 0.46 -0.06 -0.63 0.00 0.00 0.00 174.94 174.83 1b9l s ILE 8 N 0.90 3.66 -0.05 2.92 1.01 -0.02 -4.98 121.20 124.65 1b9l s ILE 8 Ca -0.01 -0.44 0.05 0.00 0.00 0.00 0.00 60.65 60.25 1b9l s ILE 8 Cb -0.15 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 1b9l s ILE 8 CO 0.01 0.51 -0.21 -0.13 0.00 0.00 0.00 174.94 175.12 1b9l s ARG 9 N 0.28 2.07 -0.39 2.79 0.52 -1.26 -1.19 118.95 121.77 1b9l s ARG 9 Ca -0.05 -0.74 -0.07 0.00 -0.52 0.00 0.00 55.73 54.36 1b9l s ARG 9 Cb -0.14 -1.80 0.08 0.00 0.52 0.00 0.00 34.95 33.61 1b9l s ARG 9 CO 0.04 0.32 0.19 0.42 0.02 0.00 0.00 175.30 176.29 1b9l s ILE 10 N -0.09 3.81 -0.21 1.52 1.01 -0.13 -4.99 121.20 122.13 1b9l s ILE 10 Ca -0.03 -1.49 -0.20 0.00 0.00 0.00 0.00 60.65 58.93 1b9l s ILE 10 Cb -0.12 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 1b9l s ILE 10 CO 0.02 -0.45 0.58 -0.54 0.00 0.00 0.00 174.94 174.56 1b9l s LYS 11 N 1.34 4.18 -1.02 2.79 1.02 -1.26 -2.10 119.74 124.70 1b9l s LYS 11 Ca 0.02 0.51 -0.14 0.00 0.02 0.00 0.00 55.97 56.39 1b9l s LYS 11 Cb -0.22 -3.58 -0.01 0.00 -0.52 0.00 0.00 37.83 33.50 1b9l s LYS 11 CO 0.00 -0.23 0.76 0.09 -0.92 0.00 0.00 175.35 175.06 1b9l n ASN 12 N 5.04 -5.79 -4.66 2.83 5.03 -1.17 -4.91 115.26 111.64 1b9l n ASN 12 Ca -0.03 -0.83 -0.43 0.00 0.87 0.00 0.00 54.58 54.16 1b9l n ASN 12 Cb 0.50 -3.60 -0.02 0.00 -1.02 0.00 0.00 39.78 35.64 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 -5.77 4.10 -0.25 3.41 2.96 0.01 -4.84 118.68 118.30 1b9l s LEU 13 Ca 0.33 1.44 -0.08 0.00 -0.22 0.00 0.00 54.13 55.60 1b9l s LEU 13 Cb -0.11 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.01 1b9l s LEU 13 CO 0.84 -0.74 0.10 -0.13 -1.32 0.00 0.00 176.35 175.09 1b9l s ARG 14 N 3.39 3.75 0.16 1.98 0.52 -1.26 -0.46 118.95 127.03 1b9l s ARG 14 Ca 0.48 -0.43 -0.00 0.00 -0.52 0.00 0.00 55.73 55.26 1b9l s ARG 14 Cb -0.17 -3.39 -0.04 0.00 0.52 0.00 0.00 34.95 31.87 1b9l s ARG 14 CO 0.11 -0.15 0.06 -0.51 0.02 0.00 0.00 175.30 174.83 1b9l s LEU 15 N 1.54 1.74 -0.04 2.53 1.02 -1.02 -5.04 118.68 119.40 1b9l s LEU 15 Ca 0.06 -1.25 0.03 0.00 0.02 0.00 0.00 54.13 53.00 1b9l s LEU 15 Cb -0.15 0.21 0.00 0.00 0.02 0.00 0.00 46.19 46.27 1b9l s LEU 15 CO 0.05 -0.71 -0.14 -0.13 0.02 0.00 0.00 176.35 175.44 1b9l s ARG 16 N -4.04 1.47 0.29 1.70 0.52 -1.26 -1.40 118.95 116.23 1b9l s ARG 16 Ca 0.28 -0.47 -0.20 0.00 -0.52 0.00 0.00 55.73 54.81 1b9l s ARG 16 Cb 0.07 -1.29 0.04 0.00 0.52 0.00 0.00 34.95 34.29 1b9l s ARG 16 CO 0.05 0.17 0.80 -0.08 0.02 0.00 0.00 175.30 176.26 1b9l s THR 17 N 0.16 0.00 -0.14 0.02 -1.32 -0.98 -4.68 115.64 108.69 1b9l s THR 17 Ca -0.05 -0.92 -0.18 0.00 -1.21 0.00 0.00 61.69 59.33 1b9l s THR 17 Cb -0.11 -2.34 -0.04 0.00 -1.51 0.00 0.00 72.50 68.51 1b9l s THR 17 CO 0.02 0.00 0.49 -0.36 -2.21 0.00 0.00 174.62 172.56 1b9l s PHE 18 N -3.20 3.47 -0.05 9.09 0.40 -1.26 -0.73 117.98 125.70 1b9l s PHE 18 Ca 0.13 0.85 -0.01 0.00 -0.60 0.00 0.00 56.93 57.30 1b9l s PHE 18 Cb -0.05 -2.59 0.03 0.00 0.51 0.00 0.00 43.02 40.92 1b9l s PHE 18 CO 0.08 0.08 0.03 0.42 0.70 0.00 0.00 175.22 176.53 1b9l s ILE 19 N 0.95 0.08 0.00 0.64 1.01 -1.24 -0.13 121.20 122.51 1b9l s ILE 19 Ca 0.25 0.27 0.00 0.00 0.00 0.00 0.00 60.65 61.18 1b9l s ILE 19 Cb -0.15 -0.27 0.00 0.00 0.01 0.00 0.00 42.46 42.04 1b9l s ILE 19 CO 0.10 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.84 1b9l n GLY 20 N 4.99 1.39 0.00 6.18 0.00 0.12 -4.72 105.19 113.14 1b9l n GLY 20 Ca -0.10 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.32 0.00 -1.91 -0.61 -0.00 -1.26 -4.50 119.36 109.75 1b9l n ILE 21 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 62.75 62.35 1b9l n ILE 21 Cb 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 39.64 39.78 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 -1.82 3.90 0.18 6.28 1.02 -1.26 -4.69 119.74 123.35 1b9l s LYS 22 Ca 0.00 2.34 -0.17 0.00 0.02 0.00 0.00 55.97 58.16 1b9l s LYS 22 Cb 0.00 -2.77 0.16 0.00 -0.52 0.00 0.00 37.83 34.70 1b9l s LYS 22 CO 0.00 -0.62 1.31 0.39 -0.92 0.00 0.00 175.35 175.51 1b9l n GLU 23 N 0.09 -0.23 0.12 1.68 -0.58 -1.26 -0.50 120.64 119.96 1b9l n GLU 23 Ca 0.04 1.29 -0.13 0.00 -0.42 0.00 0.00 57.16 57.94 1b9l n GLU 23 Cb 0.42 -1.92 -0.06 0.00 -0.57 0.00 0.00 31.44 29.31 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 -0.31 -0.87 3.49 4.81 -1.98 0.61 114.58 120.33 1b9l h GLU 24 Ca 0.27 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.63 1b9l h GLU 24 Cb 0.48 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.87 1b9l h GLU 24 CO -0.83 -0.21 0.56 0.93 -0.73 0.00 0.00 179.01 178.73 1b9l h GLU 25 N -0.32 0.76 0.00 1.92 5.08 -1.06 0.23 114.58 121.18 1b9l h GLU 25 Ca 0.01 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1b9l h GLU 25 Cb 0.31 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1b9l h GLU 25 CO -0.05 0.50 -0.43 -0.84 -1.00 0.00 0.00 179.01 177.20 1b9l h ILE 26 N 0.78 0.33 0.00 3.13 3.07 -0.80 -3.33 117.51 120.69 1b9l h ILE 26 Ca 0.41 -1.49 -0.26 0.00 1.55 0.00 0.00 64.86 65.08 1b9l h ILE 26 Cb 0.52 2.07 -0.04 0.00 -0.27 0.00 0.00 36.82 39.10 1b9l h ILE 26 CO -0.18 0.19 -1.50 0.78 -1.05 0.00 0.00 178.15 176.39 1b9l h ASN 27 N 0.00 0.00 -4.48 2.16 2.35 0.12 -3.47 115.58 112.26 1b9l h ASN 27 Ca -0.02 0.00 -0.65 0.00 -0.55 0.00 0.00 56.30 55.08 1b9l h ASN 27 Cb 1.18 0.00 -0.30 0.00 0.05 0.00 0.00 38.32 39.25 1b9l h ASN 27 CO 0.03 0.95 -0.87 0.20 -1.65 0.00 0.00 177.43 176.08 1b9l s ASN 28 N -6.21 2.75 0.55 5.81 -0.87 0.58 -5.08 114.94 112.47 1b9l s ASN 28 Ca -0.03 -0.43 -0.19 0.00 -1.57 0.00 0.00 52.86 50.65 1b9l s ASN 28 Cb 0.08 -0.34 -0.06 0.00 -0.02 0.00 0.00 41.25 40.92 1b9l s ASN 28 CO 0.82 0.28 1.09 -0.13 -2.57 0.00 0.00 177.10 176.59 1b9l s ARG 29 N -0.52 3.41 0.25 -0.60 0.52 -1.26 -4.67 118.95 116.08 1b9l s ARG 29 Ca 0.08 1.45 0.11 0.00 -0.52 0.00 0.00 55.73 56.86 1b9l s ARG 29 Cb -0.09 -2.03 -0.05 0.00 0.52 0.00 0.00 34.95 33.30 1b9l s ARG 29 CO -0.01 -0.77 -0.20 -0.65 0.02 0.00 0.00 175.30 173.69 1b9l s GLN 30 N -3.48 1.60 -0.11 3.54 -0.21 0.09 -4.85 119.66 116.24 1b9l s GLN 30 Ca 0.69 -1.68 -0.23 0.00 0.02 0.00 0.00 55.36 54.15 1b9l s GLN 30 Cb -0.20 -1.72 -0.03 0.00 1.00 0.00 0.00 33.01 32.06 1b9l s GLN 30 CO 0.28 0.33 0.72 -0.51 -2.12 0.00 0.00 175.29 173.99 1b9l s ASP 31 N -3.27 6.93 0.13 5.90 1.01 -1.26 -2.33 116.67 123.79 1b9l s ASP 31 Ca 0.27 1.13 0.06 0.00 0.71 0.00 0.00 52.55 54.72 1b9l s ASP 31 Cb -0.05 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 1b9l s ASP 31 CO 0.13 -0.21 -0.13 0.27 0.21 0.00 0.00 175.17 175.44 1b9l s ILE 32 N 1.29 1.33 -0.11 0.77 -4.36 -0.49 -1.92 121.20 117.71 1b9l s ILE 32 Ca 0.36 -1.82 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 1b9l s ILE 32 Cb -0.17 -1.63 0.02 0.00 1.25 0.00 0.00 42.46 41.93 1b9l s ILE 32 CO 0.16 -0.49 -0.10 -0.69 0.24 0.00 0.00 174.94 174.05 1b9l s VAL 33 N -2.43 1.15 -0.01 8.37 1.01 -0.70 -2.44 120.40 125.35 1b9l s VAL 33 Ca 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1b9l s VAL 33 Cb -0.03 -1.12 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 1b9l s VAL 33 CO 0.03 0.38 0.06 -0.63 0.00 0.00 0.00 175.10 174.94 1b9l s ILE 34 N 1.42 4.57 -0.06 2.22 1.01 0.40 -0.99 121.20 129.77 1b9l s ILE 34 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.20 1b9l s ILE 34 Cb -0.13 -3.07 0.02 0.00 0.01 0.00 0.00 42.46 39.29 1b9l s ILE 34 CO -0.06 0.36 -0.02 0.20 0.00 0.00 0.00 174.94 175.42 1b9l s ASN 35 N -1.66 1.18 -0.11 3.58 -0.87 -0.32 -0.81 114.94 115.92 1b9l s ASN 35 Ca 0.22 -0.11 0.03 0.00 -1.57 0.00 0.00 52.86 51.43 1b9l s ASN 35 Cb -0.12 -0.44 0.00 0.00 -0.02 0.00 0.00 41.25 40.68 1b9l s ASN 35 CO 0.13 -0.11 -0.23 -0.69 -2.57 0.00 0.00 177.10 173.63 1b9l s VAL 36 N 1.35 2.15 -0.16 1.60 1.01 -0.89 -1.64 120.40 123.81 1b9l s VAL 36 Ca -0.04 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 60.97 1b9l s VAL 36 Cb -0.13 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.43 1b9l s VAL 36 CO -0.02 0.55 -0.21 -0.89 0.00 0.00 0.00 175.10 174.53 1b9l s THR 37 N 0.45 2.04 -0.07 3.92 2.01 -0.20 -0.95 115.64 122.84 1b9l s THR 37 Ca -0.16 -0.94 0.03 0.00 0.31 0.00 0.00 61.69 60.93 1b9l s THR 37 Cb -0.17 -1.83 0.01 0.00 0.01 0.00 0.00 72.50 70.51 1b9l s THR 37 CO 0.06 0.54 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.74 1b9l s ILE 38 N 1.11 1.45 0.04 1.82 1.01 -0.33 0.07 121.20 126.36 1b9l s ILE 38 Ca 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 60.02 1b9l s ILE 38 Cb -0.14 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 41.02 1b9l s ILE 38 CO -0.09 0.42 -0.10 -1.00 0.00 0.00 0.00 174.94 174.18 1b9l s HIS 39 N 0.42 2.79 0.16 3.97 3.76 0.17 -0.84 115.29 125.72 1b9l s HIS 39 Ca -0.13 -0.11 -0.22 0.00 -0.15 0.00 0.00 55.06 54.45 1b9l s HIS 39 Cb -0.15 -1.54 0.06 0.00 1.11 0.00 0.00 32.58 32.06 1b9l s HIS 39 CO 0.05 0.36 0.58 1.52 -0.85 0.00 0.00 174.74 176.40 1b9l s TYR 40 N -1.04 -0.47 -0.24 1.40 1.13 -0.83 -1.16 117.35 116.14 1b9l s TYR 40 Ca 0.18 0.23 -0.39 0.00 -1.41 0.00 0.00 57.07 55.68 1b9l s TYR 40 Cb -0.11 0.53 -0.15 0.00 -1.10 0.00 0.00 41.96 41.13 1b9l s TYR 40 CO 0.09 -0.85 1.77 -2.30 -2.51 0.00 0.00 175.55 171.75 1b9l n PRO 41 N -0.36 1.35 0.26 -3.49 -0.02 -1.26 -0.16 135.00 131.31 1b9l n PRO 41 Ca -0.16 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 61.90 1b9l n PRO 41 Cb 0.65 -2.21 0.68 0.00 -0.02 0.00 0.00 33.50 32.59 1b9l n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1b9l h ALA 42 N 7.57 1.95 -0.42 3.55 0.00 -1.76 -2.58 119.26 127.57 1b9l h ALA 42 Ca -0.47 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 1b9l h ALA 42 Cb 1.31 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1b9l h ALA 42 CO 0.96 -0.02 0.00 0.38 0.00 0.00 0.00 179.25 180.57 1b9l h ASP 43 N 0.00 0.73 1.12 0.00 3.04 -1.90 -2.78 116.42 116.62 1b9l h ASP 43 Ca 0.01 -0.31 -0.00 0.00 -3.24 0.00 0.00 57.03 53.49 1b9l h ASP 43 Cb 0.03 -0.20 -0.00 0.00 -1.04 0.00 0.00 39.33 38.12 1b9l h ASP 43 CO -0.00 0.86 -0.01 0.11 -2.04 0.00 0.00 179.24 178.15 1b9l h LYS 44 N 0.58 0.00 -0.65 4.15 1.57 -1.87 -3.00 116.57 117.35 1b9l h LYS 44 Ca 0.12 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1b9l h LYS 44 Cb 0.48 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.76 1b9l h LYS 44 CO 0.02 0.01 0.34 0.00 -0.57 0.00 0.00 179.45 179.26 1b9l h ALA 45 N 1.99 0.83 0.00 3.86 0.00 -1.19 -1.78 119.26 122.98 1b9l h ALA 45 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1b9l h ALA 45 Cb 0.57 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1b9l h ALA 45 CO 0.00 0.36 0.00 -2.13 0.00 0.00 0.00 179.25 177.48 1b9l n ARG 46 N -4.52 0.15 -0.67 0.00 3.00 -1.13 -2.62 116.66 110.87 1b9l n ARG 46 Ca 0.05 0.14 0.05 0.00 -0.00 0.00 0.00 57.85 58.09 1b9l n ARG 46 Cb 0.10 -1.50 0.30 0.00 0.00 0.00 0.00 32.46 31.36 1b9l n ARG 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1b9l n THR 47 N -1.38 2.53 1.07 5.15 -2.24 -0.68 -4.74 114.28 113.99 1b9l n THR 47 Ca 0.07 -1.80 0.09 0.00 -2.27 0.00 0.00 64.05 60.14 1b9l n THR 47 Cb 0.18 -0.28 0.53 0.00 -2.10 0.00 0.00 70.33 68.65 1b9l n THR 47 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1b9l n SER 48 N -0.23 0.00 0.00 3.42 2.88 -1.08 -0.60 113.62 118.01 1b9l n SER 48 Ca 0.27 -0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1b9l n SER 48 Cb 1.05 -0.11 0.00 0.00 -0.75 0.00 0.00 64.21 64.41 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 -1.11 -0.02 -0.08 -1.46 0.00 -1.26 -4.69 120.64 112.02 1b9l n GLU 49 Ca 0.12 -0.25 -0.10 0.00 0.00 0.00 0.00 57.16 56.94 1b9l n GLU 49 Cb 0.10 -0.72 -0.15 0.00 0.00 0.00 0.00 31.44 30.66 1b9l n GLU 49 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1b9l n ASP 50 N -0.07 0.30 -4.15 -1.84 8.00 -0.66 -4.91 116.55 113.23 1b9l n ASP 50 Ca 0.00 0.12 -0.30 0.00 0.71 0.00 0.00 54.79 55.32 1b9l n ASP 50 Cb 0.10 0.66 -0.17 0.00 -0.02 0.00 0.00 41.12 41.68 1b9l n ASP 50 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1b9l s ILE 51 N -2.52 1.77 0.20 0.53 2.07 0.23 -5.05 121.20 118.43 1b9l s ILE 51 Ca -0.09 -0.84 0.12 0.00 -1.41 0.00 0.00 60.65 58.43 1b9l s ILE 51 Cb 0.07 -1.56 -0.00 0.00 0.13 0.00 0.00 42.46 41.09 1b9l s ILE 51 CO 0.82 0.50 1.59 -0.55 -1.91 0.00 0.00 174.94 175.39 1b9l h ASN 52 N 6.91 0.00 0.00 4.50 -1.07 -1.91 -3.09 115.58 120.92 1b9l h ASN 52 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.13 1b9l h ASN 52 Cb 1.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 1b9l h ASN 52 CO 0.48 0.60 0.00 0.47 0.07 0.00 0.00 177.43 179.05 1b9l n ASP 53 N -3.63 2.69 -4.74 6.14 9.92 -1.26 -4.89 116.55 120.78 1b9l n ASP 53 Ca -0.01 -1.69 -0.31 0.00 -0.53 0.00 0.00 54.79 52.25 1b9l n ASP 53 Cb 0.64 -0.47 0.11 0.00 -0.64 0.00 0.00 41.12 40.75 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 0.21 2.06 -0.38 2.24 0.00 -1.17 -4.96 121.76 119.76 1b9l s ALA 54 Ca 0.00 0.43 -0.21 0.00 0.00 0.00 0.00 51.96 52.18 1b9l s ALA 54 Cb 0.00 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.79 1b9l s ALA 54 CO 0.00 -1.99 0.66 -1.17 0.00 0.00 0.00 175.76 173.26 1b9l s LEU 55 N -5.95 4.29 -0.38 0.00 0.20 -1.26 -5.03 118.68 110.55 1b9l s LEU 55 Ca 0.64 0.04 -0.10 0.00 0.69 0.00 0.00 54.13 55.41 1b9l s LEU 55 Cb -0.20 -2.81 0.05 0.00 -0.43 0.00 0.00 46.19 42.80 1b9l s LEU 55 CO 0.54 -0.67 0.20 0.21 -0.29 0.00 0.00 176.35 176.34 1b9l s ASN 56 N 1.87 5.62 0.58 3.68 3.84 -1.26 -4.93 114.94 124.34 1b9l s ASN 56 Ca 0.25 -1.18 0.32 0.00 0.21 0.00 0.00 52.86 52.46 1b9l s ASN 56 Cb -0.14 -1.98 1.76 0.00 -0.55 0.00 0.00 41.25 40.34 1b9l s ASN 56 CO 0.17 -0.42 2.18 0.10 -2.79 0.00 0.00 177.10 176.34 1b9l h TYR 57 N 8.38 0.00 -0.06 0.43 -0.00 -1.99 -1.66 116.97 122.07 1b9l h TYR 57 Ca -0.24 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.48 1b9l h TYR 57 Cb 1.09 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.82 1b9l h TYR 57 CO 0.59 0.05 -0.01 0.00 -0.00 0.00 0.00 178.16 178.79 1b9l h ARG 58 N 0.00 0.12 -0.45 0.10 3.08 -1.99 -1.63 114.38 113.60 1b9l h ARG 58 Ca -0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1b9l h ARG 58 Cb 0.19 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 1b9l h ARG 58 CO 0.01 0.42 0.27 1.15 -1.07 0.00 0.00 179.97 180.75 1b9l h THR 59 N -0.20 1.14 -0.49 2.04 2.02 -1.75 0.75 112.91 116.41 1b9l h THR 59 Ca 0.02 -0.33 0.08 0.00 0.77 0.00 0.00 66.41 66.95 1b9l h THR 59 Cb 0.38 0.55 -0.07 0.00 -1.74 0.00 0.00 68.15 67.27 1b9l h THR 59 CO 0.00 0.15 0.09 0.58 0.37 0.00 0.00 175.52 176.71 1b9l h VAL 60 N 0.60 0.71 0.17 3.16 2.07 -1.28 0.17 116.25 121.85 1b9l h VAL 60 Ca 0.16 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.60 1b9l h VAL 60 Cb 0.00 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1b9l h VAL 60 CO -0.03 0.04 -0.08 0.74 0.02 0.00 0.00 177.57 178.26 1b9l h THR 61 N 0.22 0.88 -0.70 2.57 2.02 -0.56 -1.31 112.91 116.03 1b9l h THR 61 Ca 0.25 -0.23 0.14 0.00 0.77 0.00 0.00 66.41 67.34 1b9l h THR 61 Cb 0.33 1.02 -0.10 0.00 -1.74 0.00 0.00 68.15 67.67 1b9l h THR 61 CO -0.33 0.05 0.18 0.50 0.37 0.00 0.00 175.52 176.29 1b9l h LYS 62 N -0.34 0.29 0.20 6.66 3.64 -0.20 -0.50 116.57 126.32 1b9l h LYS 62 Ca -0.02 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1b9l h LYS 62 Cb 0.26 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.02 1b9l h LYS 62 CO 0.04 0.19 -0.10 -0.91 -2.27 0.00 0.00 179.45 176.40 1b9l h ASN 63 N 0.30 -0.23 -0.22 4.20 2.35 -0.69 -1.35 115.58 119.93 1b9l h ASN 63 Ca 0.39 -0.05 0.06 0.00 -0.55 0.00 0.00 56.30 56.15 1b9l h ASN 63 Cb 0.62 0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.99 1b9l h ASN 63 CO -0.46 -0.10 -0.23 0.40 -1.65 0.00 0.00 177.43 175.38 1b9l h ILE 64 N -0.34 0.41 0.18 2.81 2.04 -0.23 0.11 117.51 122.48 1b9l h ILE 64 Ca -0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.85 1b9l h ILE 64 Cb 0.26 0.41 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 1b9l h ILE 64 CO 0.05 0.00 -0.35 0.40 0.00 0.00 0.00 178.15 178.25 1b9l h ILE 65 N -0.25 0.27 -0.42 -0.67 2.04 -1.06 0.15 117.51 117.57 1b9l h ILE 65 Ca 0.13 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.07 1b9l h ILE 65 Cb 0.45 0.27 -0.07 0.00 -0.74 0.00 0.00 36.82 36.72 1b9l h ILE 65 CO -0.37 0.00 -0.05 -0.61 0.00 0.00 0.00 178.15 177.12 1b9l h GLN 66 N -0.61 0.05 -0.32 2.37 4.15 -0.84 0.12 115.11 120.02 1b9l h GLN 66 Ca 0.02 -0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.40 1b9l h GLN 66 Cb 0.62 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 1b9l h GLN 66 CO -0.17 0.03 0.08 1.25 -1.93 0.00 0.00 178.83 178.09 1b9l h HIS 67 N 0.05 0.54 -0.22 3.99 2.76 -0.39 -2.52 115.15 119.37 1b9l h HIS 67 Ca 0.20 -0.07 -0.12 0.00 -2.20 0.00 0.00 60.37 58.19 1b9l h HIS 67 Cb 0.30 -0.15 -0.00 0.00 1.55 0.00 0.00 27.41 29.11 1b9l h HIS 67 CO -0.32 0.57 -0.33 0.28 -1.30 0.00 0.00 177.93 176.83 1b9l h VAL 68 N 0.36 1.33 0.00 5.26 2.07 -0.28 -3.26 116.25 121.72 1b9l h VAL 68 Ca 0.10 -1.53 -0.09 0.00 0.82 0.00 0.00 66.70 66.00 1b9l h VAL 68 Cb 0.30 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 31.85 1b9l h VAL 68 CO 0.00 0.48 -0.43 -0.33 0.02 0.00 0.00 177.57 177.30 1b9l h GLU 69 N 0.29 0.00 -0.82 1.57 5.08 -0.84 -3.24 114.58 116.61 1b9l h GLU 69 Ca 0.02 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 1b9l h GLU 69 Cb 0.91 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.06 1b9l h GLU 69 CO 0.08 0.43 0.22 0.09 -1.00 0.00 0.00 179.01 178.82 1b9l n ASN 70 N -3.59 4.14 -3.90 1.42 5.03 -0.95 -4.96 115.26 112.45 1b9l n ASN 70 Ca -0.00 -2.92 -0.12 0.00 0.87 0.00 0.00 54.58 52.41 1b9l n ASN 70 Cb 0.54 -0.69 -0.07 0.00 -1.02 0.00 0.00 39.78 38.54 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 -0.65 0.25 -0.07 6.41 -0.87 -1.23 -5.02 114.94 113.77 1b9l s ASN 71 Ca 0.42 -1.22 0.03 0.00 -1.57 0.00 0.00 52.86 50.52 1b9l s ASN 71 Cb 0.33 0.53 0.00 0.00 -0.02 0.00 0.00 41.25 42.10 1b9l s ASN 71 CO 0.10 -1.07 -0.17 -0.13 -2.57 0.00 0.00 177.10 173.27 1b9l s ARG 72 N -3.86 2.05 0.06 -0.60 0.52 -1.26 -4.17 118.95 111.68 1b9l s ARG 72 Ca 0.30 -0.60 0.09 0.00 -0.52 0.00 0.00 55.73 55.01 1b9l s ARG 72 Cb 0.02 -1.67 -0.03 0.00 0.52 0.00 0.00 34.95 33.79 1b9l s ARG 72 CO 0.13 0.14 -0.26 -0.06 0.02 0.00 0.00 175.30 175.28 1b9l s PHE 73 N 0.36 2.23 -0.08 -0.53 0.40 0.81 -5.01 117.98 116.16 1b9l s PHE 73 Ca -0.12 -0.40 -0.24 0.00 -0.60 0.00 0.00 56.93 55.57 1b9l s PHE 73 Cb -0.15 -1.32 -0.30 0.00 0.51 0.00 0.00 43.02 41.77 1b9l s PHE 73 CO 0.04 0.15 0.84 0.66 0.70 0.00 0.00 175.22 177.61 1b9l h SER 74 N 4.69 0.32 -4.40 1.36 4.64 -1.84 0.34 113.55 118.66 1b9l h SER 74 Ca -0.46 -0.96 -0.32 0.00 -0.47 0.00 0.00 61.79 59.57 1b9l h SER 74 Cb 1.15 -0.10 -0.18 0.00 -0.31 0.00 0.00 62.40 62.95 1b9l h SER 74 CO 0.43 1.28 -0.73 -0.76 -0.87 0.00 0.00 176.83 176.18 1b9l s LEU 75 N -7.97 2.39 0.37 5.97 1.02 -1.26 -2.92 118.68 116.28 1b9l s LEU 75 Ca -0.15 -0.80 0.04 0.00 0.02 0.00 0.00 54.13 53.24 1b9l s LEU 75 Cb -0.00 -0.31 0.71 0.00 0.02 0.00 0.00 46.19 46.61 1b9l s LEU 75 CO 0.79 -0.25 2.01 -0.07 0.02 0.00 0.00 176.35 178.85 1b9l h LEU 76 N 3.62 0.62 -0.16 1.79 3.38 -1.97 -2.33 115.31 120.26 1b9l h LEU 76 Ca -0.37 -0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.59 1b9l h LEU 76 Cb 1.19 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1b9l h LEU 76 CO 0.52 0.47 0.01 -0.33 0.09 0.00 0.00 178.44 179.20 1b9l h GLU 77 N 0.72 0.07 0.07 1.13 3.07 -1.99 0.37 114.58 118.02 1b9l h GLU 77 Ca 0.19 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1b9l h GLU 77 Cb -0.05 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1b9l h GLU 77 CO -0.04 0.05 -0.08 0.87 -1.40 0.00 0.00 179.01 178.41 1b9l h LYS 78 N 0.07 -0.17 -0.38 2.33 6.56 -1.84 -1.81 116.57 121.34 1b9l h LYS 78 Ca 0.07 0.01 0.05 0.00 -1.06 0.00 0.00 60.65 59.72 1b9l h LYS 78 Cb 0.08 0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 31.74 1b9l h LYS 78 CO -0.11 -0.11 0.13 1.25 -2.06 0.00 0.00 179.45 178.54 1b9l h LEU 79 N -0.17 0.13 -0.74 2.94 5.85 -1.18 -0.66 115.31 121.48 1b9l h LEU 79 Ca 0.01 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1b9l h LEU 79 Cb 0.17 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1b9l h LEU 79 CO -0.03 0.11 0.46 0.74 -0.34 0.00 0.00 178.44 179.38 1b9l h THR 80 N 0.28 1.21 -0.09 1.05 2.02 -0.03 -2.10 112.91 115.25 1b9l h THR 80 Ca 0.17 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1b9l h THR 80 Cb 0.16 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 66.72 1b9l h THR 80 CO -0.18 0.21 0.03 -0.61 0.37 0.00 0.00 175.52 175.34 1b9l h GLN 81 N 1.01 0.14 -0.64 6.66 5.75 -0.81 -0.35 115.11 126.88 1b9l h GLN 81 Ca 0.27 -0.03 0.13 0.00 -0.15 0.00 0.00 58.65 58.87 1b9l h GLN 81 Cb -0.05 -0.02 -0.11 0.00 1.07 0.00 0.00 27.48 28.36 1b9l h GLN 81 CO -0.05 0.28 -0.05 -0.44 -2.65 0.00 0.00 178.83 175.92 1b9l h ASP 82 N -0.02 -0.38 -0.56 -0.69 5.19 -0.84 0.19 116.42 119.31 1b9l h ASP 82 Ca 0.03 0.17 -0.10 0.00 -0.62 0.00 0.00 57.03 56.51 1b9l h ASP 82 Cb 0.19 0.32 -0.02 0.00 0.18 0.00 0.00 39.33 40.00 1b9l h ASP 82 CO -0.00 -0.15 -0.03 0.58 -3.12 0.00 0.00 179.24 176.51 1b9l h VAL 83 N 0.08 1.27 -0.72 -1.35 2.07 -1.06 -2.14 116.25 114.39 1b9l h VAL 83 Ca 0.33 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.70 1b9l h VAL 83 Cb 0.53 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1b9l h VAL 83 CO -0.58 0.42 0.47 0.25 0.02 0.00 0.00 177.57 178.14 1b9l h LEU 84 N 0.90 0.78 -1.01 2.57 5.85 0.78 0.74 115.31 125.92 1b9l h LEU 84 Ca 0.16 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1b9l h LEU 84 Cb 0.59 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1b9l h LEU 84 CO 0.04 0.55 0.41 0.44 -0.34 0.00 0.00 178.44 179.54 1b9l h ASP 85 N 0.93 0.99 0.10 1.25 3.32 -0.49 -1.27 116.42 121.25 1b9l h ASP 85 Ca 0.28 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 57.11 1b9l h ASP 85 Cb -0.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1b9l h ASP 85 CO -0.09 0.82 -0.41 0.40 -1.72 0.00 0.00 179.24 178.24 1b9l h ILE 86 N 1.11 1.31 -0.05 0.35 2.04 -0.61 -2.74 117.51 118.91 1b9l h ILE 86 Ca 0.27 -1.55 -0.02 0.00 1.00 0.00 0.00 64.86 64.57 1b9l h ILE 86 Cb 0.06 1.62 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 1b9l h ILE 86 CO -0.04 0.48 -0.04 0.00 0.00 0.00 0.00 178.15 178.54 1b9l h ALA 87 N 1.24 0.08 -0.13 1.87 0.00 -0.12 -3.21 119.26 118.98 1b9l h ALA 87 Ca 0.03 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1b9l h ALA 87 Cb 0.86 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1b9l h ALA 87 CO 0.07 -0.15 0.00 2.89 0.00 0.00 0.00 179.25 182.06 1b9l n ARG 88 N -4.77 1.56 -0.12 0.00 1.85 -0.55 -4.21 116.66 110.43 1b9l n ARG 88 Ca -0.08 -0.59 -0.06 0.00 -1.00 0.00 0.00 57.85 56.13 1b9l n ARG 88 Cb 0.28 -1.38 0.11 0.00 -1.05 0.00 0.00 32.46 30.42 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 0.84 0.83 -6.73 2.89 4.81 -1.49 -3.44 114.58 112.28 1b9l h GLU 89 Ca 0.00 -0.27 -0.52 0.00 -0.13 0.00 0.00 59.36 58.44 1b9l h GLU 89 Cb 0.49 -0.07 0.04 0.00 0.63 0.00 0.00 28.75 29.83 1b9l h GLU 89 CO 0.05 0.88 0.63 -1.58 -0.73 0.00 0.00 179.01 178.26 1b9l s HIS 90 N -4.86 3.25 -1.14 0.92 2.46 -1.26 -4.89 115.29 109.76 1b9l s HIS 90 Ca -0.10 1.32 0.00 0.00 0.47 0.00 0.00 55.06 56.75 1b9l s HIS 90 Cb 0.14 -3.58 0.00 0.00 -0.13 0.00 0.00 32.58 29.01 1b9l s HIS 90 CO 0.83 -1.72 0.91 -2.39 -2.47 0.00 0.00 174.74 169.90 1b9l n HIS 91 N 2.08 0.00 0.10 3.88 1.44 -1.26 -1.47 115.22 120.00 1b9l n HIS 91 Ca 0.04 0.00 0.11 0.00 -2.01 0.00 0.00 57.72 55.86 1b9l n HIS 91 Cb 0.43 -0.41 -0.03 0.00 0.12 0.00 0.00 29.99 30.09 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 -1.41 0.74 -1.60 -1.40 7.02 -1.26 -4.90 117.44 114.62 1b9l n TRP 92 Ca 0.00 0.22 -0.43 0.00 -1.02 0.00 0.00 57.50 56.27 1b9l n TRP 92 Cb 0.01 -0.84 -0.03 0.00 -2.42 0.00 0.00 31.31 28.02 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 -2.56 0.39 0.04 -0.99 0.31 -0.54 -4.43 118.33 110.55 1b9l n VAL 93 Ca -0.01 -0.43 -0.21 0.00 -0.01 0.00 0.00 64.34 63.68 1b9l n VAL 93 Cb 0.55 -2.53 -0.14 0.00 -0.91 0.00 0.00 33.84 30.80 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 6.98 1.24 -3.11 2.52 2.02 -1.44 -3.46 112.91 117.67 1b9l h THR 94 Ca -0.42 -2.49 -0.15 0.00 0.77 0.00 0.00 66.41 64.13 1b9l h THR 94 Cb 1.24 2.95 -0.23 0.00 -1.74 0.00 0.00 68.15 70.36 1b9l h THR 94 CO 0.96 0.73 -0.37 -0.47 0.37 0.00 0.00 175.52 176.73 1b9l s TYR 95 N -2.47 -0.23 -0.05 3.16 5.04 -1.19 -1.90 117.35 119.69 1b9l s TYR 95 Ca -0.16 0.53 -0.04 0.00 -2.44 0.00 0.00 57.07 54.96 1b9l s TYR 95 Cb 0.03 0.08 0.02 0.00 0.35 0.00 0.00 41.96 42.44 1b9l s TYR 95 CO 0.81 -0.22 0.13 0.00 -1.34 0.00 0.00 175.55 174.94 1b9l s ALA 96 N -0.39 -0.30 0.03 3.97 0.00 -0.90 -0.66 121.76 123.51 1b9l s ALA 96 Ca -0.05 0.47 0.03 0.00 0.00 0.00 0.00 51.96 52.42 1b9l s ALA 96 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 1b9l s ALA 96 CO 0.01 -0.09 -0.10 -2.00 0.00 0.00 0.00 175.76 173.58 1b9l s GLU 97 N 0.46 0.73 -0.03 0.00 2.12 0.11 -1.06 118.70 121.02 1b9l s GLU 97 Ca -0.03 -0.61 -0.01 0.00 0.36 0.00 0.00 54.97 54.68 1b9l s GLU 97 Cb -0.05 -0.67 0.03 0.00 0.26 0.00 0.00 34.13 33.70 1b9l s GLU 97 CO -0.02 0.16 0.05 0.08 -0.54 0.00 0.00 175.26 174.99 1b9l s VAL 98 N -0.78 -0.08 -0.10 3.70 1.01 -0.40 -1.03 120.40 122.73 1b9l s VAL 98 Ca -0.01 0.33 0.03 0.00 0.00 0.00 0.00 61.98 62.34 1b9l s VAL 98 Cb -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.19 1b9l s VAL 98 CO 0.01 0.14 -0.21 -0.70 0.00 0.00 0.00 175.10 174.34 1b9l s GLU 99 N 1.70 2.68 -0.16 2.72 2.12 -0.65 -1.30 118.70 125.81 1b9l s GLU 99 Ca -0.01 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.57 1b9l s GLU 99 Cb -0.12 -2.07 0.03 0.00 0.26 0.00 0.00 34.13 32.22 1b9l s GLU 99 CO -0.03 0.11 -0.13 0.42 -0.54 0.00 0.00 175.26 175.10 1b9l s ILE 100 N 0.49 1.54 0.02 -3.70 1.01 -0.21 -1.18 121.20 119.17 1b9l s ILE 100 Ca -0.16 -0.68 -0.20 0.00 0.00 0.00 0.00 60.65 59.61 1b9l s ILE 100 Cb -0.17 -1.49 -0.06 0.00 0.01 0.00 0.00 42.46 40.75 1b9l s ILE 100 CO 0.06 0.39 0.58 -1.81 0.00 0.00 0.00 174.94 174.17 1b9l s ASP 101 N 1.49 7.00 -0.53 3.58 1.11 -0.17 -1.69 116.67 127.46 1b9l s ASP 101 Ca 0.04 1.19 -0.08 0.00 0.18 0.00 0.00 52.55 53.88 1b9l s ASP 101 Cb -0.13 -2.36 0.14 0.00 1.07 0.00 0.00 42.92 41.63 1b9l s ASP 101 CO -0.10 0.16 0.39 -0.75 1.18 0.00 0.00 175.17 176.05 1b9l s LYS 102 N -0.50 2.56 0.17 8.23 2.20 -0.31 -1.73 119.74 130.36 1b9l s LYS 102 Ca 0.30 -1.99 -0.34 0.00 -0.36 0.00 0.00 55.97 53.59 1b9l s LYS 102 Cb -0.19 -3.91 -0.14 0.00 -1.51 0.00 0.00 37.83 32.09 1b9l s LYS 102 CO 0.18 -1.19 1.59 1.28 -0.36 0.00 0.00 175.35 176.85 1b9l n LEU 103 N 4.51 3.21 -3.77 5.43 4.32 -0.81 -3.35 117.00 126.54 1b9l n LEU 103 Ca -0.02 1.08 -0.35 0.00 -0.02 0.00 0.00 56.01 56.70 1b9l n LEU 103 Cb 0.41 -1.45 0.04 0.00 -1.62 0.00 0.00 43.42 40.80 1b9l n LEU 103 CO 0.39 -0.23 -0.09 1.41 -1.22 0.00 0.00 177.39 177.65 1b9l n HIS 104 N 3.45 -1.80 -0.08 -1.77 8.25 -0.74 -4.78 115.22 117.75 1b9l n HIS 104 Ca 0.17 0.37 -0.12 0.00 -0.26 0.00 0.00 57.72 57.87 1b9l n HIS 104 Cb 0.30 -3.27 -0.15 0.00 1.12 0.00 0.00 29.99 27.99 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 -4.34 1.44 -2.79 -1.41 0.00 -1.22 -4.87 120.51 107.32 1b9l n ALA 105 Ca -0.10 -1.13 -0.34 0.00 0.00 0.00 0.00 53.44 51.87 1b9l n ALA 105 Cb 0.58 -0.34 -0.10 0.00 0.00 0.00 0.00 19.45 19.59 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 -5.91 3.50 0.15 0.00 2.01 -1.26 -5.07 118.68 112.10 1b9l s LEU 106 Ca -0.14 0.04 -0.30 0.00 0.01 0.00 0.00 54.13 53.73 1b9l s LEU 106 Cb 0.07 -1.83 -0.07 0.00 0.01 0.00 0.00 46.19 44.37 1b9l s LEU 106 CO 0.78 0.27 1.00 0.00 1.01 0.00 0.00 176.35 179.42 1b9l s ARG 107 N -0.25 4.69 0.00 1.70 1.70 -1.26 -2.97 118.95 122.56 1b9l s ARG 107 Ca 0.06 1.55 0.00 0.00 -0.47 0.00 0.00 55.73 56.86 1b9l s ARG 107 Cb -0.12 -3.33 0.00 0.00 -0.57 0.00 0.00 34.95 30.93 1b9l s ARG 107 CO 0.02 0.21 0.00 0.66 -1.08 0.00 0.00 175.30 175.12 1b9l n TYR 108 N 2.44 0.00 -4.45 5.89 4.01 -1.26 -5.05 117.16 118.74 1b9l n TYR 108 Ca 0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.55 1b9l n TYR 108 Cb 0.48 0.00 -0.14 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 -2.23 1.25 0.12 -0.72 0.00 -1.16 -5.06 121.76 113.97 1b9l s ALA 109 Ca 0.00 -0.81 -0.18 0.00 0.00 0.00 0.00 51.96 50.97 1b9l s ALA 109 Cb 0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.85 1b9l s ALA 109 CO 0.00 0.26 1.72 -0.44 0.00 0.00 0.00 175.76 177.30 1b9l h ASP 110 N 5.10 0.37 -5.60 0.00 5.19 -1.97 -3.41 116.42 116.10 1b9l h ASP 110 Ca -0.38 -0.09 0.24 0.00 -0.62 0.00 0.00 57.03 56.19 1b9l h ASP 110 Cb 1.17 -0.09 -0.06 0.00 0.18 0.00 0.00 39.33 40.53 1b9l h ASP 110 CO 0.45 0.35 0.72 -0.94 -3.12 0.00 0.00 179.24 176.70 1b9l s SER 111 N -5.59 -0.01 -0.01 6.45 1.04 -1.26 -1.79 113.70 112.53 1b9l s SER 111 Ca -0.13 -0.44 0.02 0.00 0.48 0.00 0.00 55.95 55.88 1b9l s SER 111 Cb 0.09 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.55 1b9l s SER 111 CO 0.72 -0.67 -0.08 0.54 0.98 0.00 0.00 173.24 174.73 1b9l s VAL 112 N -2.18 0.63 0.19 5.02 0.11 -1.21 -4.91 120.40 118.04 1b9l s VAL 112 Ca 0.24 -0.31 0.06 0.00 -2.93 0.00 0.00 61.98 59.04 1b9l s VAL 112 Cb -0.01 -0.55 -0.05 0.00 -1.53 0.00 0.00 36.38 34.25 1b9l s VAL 112 CO 0.02 0.19 -0.11 -0.94 -3.33 0.00 0.00 175.10 170.93 1b9l s SER 113 N -0.00 2.18 -0.11 3.54 1.04 -1.26 -1.16 113.70 117.93 1b9l s SER 113 Ca 0.00 -1.05 0.01 0.00 0.48 0.00 0.00 55.95 55.40 1b9l s SER 113 Cb -0.05 -0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.01 1b9l s SER 113 CO -0.00 -0.28 -0.15 -0.32 0.98 0.00 0.00 173.24 173.47 1b9l s MET 114 N -3.71 2.18 -0.07 4.02 1.75 -0.68 -4.94 119.30 117.83 1b9l s MET 114 Ca 0.21 -0.54 0.05 0.00 -1.25 0.00 0.00 55.69 54.16 1b9l s MET 114 Cb 0.02 -1.89 -0.01 0.00 2.84 0.00 0.00 34.83 35.78 1b9l s MET 114 CO 0.05 -0.10 -0.22 0.99 -0.65 0.00 0.00 175.02 175.09 1b9l s THR 115 N 1.10 2.32 0.06 10.11 2.01 -1.26 -1.05 115.64 128.93 1b9l s THR 115 Ca -0.04 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.02 1b9l s THR 115 Cb -0.14 -1.88 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 1b9l s THR 115 CO -0.03 0.56 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.62 1b9l s LEU 116 N -0.08 2.31 0.22 4.42 1.43 -0.42 -5.00 118.68 121.56 1b9l s LEU 116 Ca -0.05 -0.65 -0.02 0.00 -1.03 0.00 0.00 54.13 52.38 1b9l s LEU 116 Cb -0.14 -0.19 -0.03 0.00 0.03 0.00 0.00 46.19 45.86 1b9l s LEU 116 CO 0.04 -0.24 0.19 -0.94 0.23 0.00 0.00 176.35 175.63 1b9l s SER 117 N -1.90 0.23 -0.06 2.29 1.04 -1.26 -1.28 113.70 112.77 1b9l s SER 117 Ca -0.05 -1.36 -0.08 0.00 0.48 0.00 0.00 55.95 54.94 1b9l s SER 117 Cb -0.07 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.49 1b9l s SER 117 CO -0.00 -0.90 0.21 0.86 0.98 0.00 0.00 173.24 174.39 1b9l s TRP 118 N -4.07 -0.18 0.28 5.02 -0.00 -0.23 -5.00 118.94 114.76 1b9l s TRP 118 Ca 0.37 0.42 0.12 0.00 -0.00 0.00 0.00 56.10 57.01 1b9l s TRP 118 Cb 0.06 0.06 -0.05 0.00 -0.00 0.00 0.00 33.47 33.53 1b9l s TRP 118 CO 0.13 -0.17 -0.18 -0.65 -0.00 0.00 0.00 176.95 176.07 1b9l s GLN 119 N -0.30 1.72 0.00 5.86 -1.52 -1.26 -2.11 119.66 122.06 1b9l s GLN 119 Ca -0.04 -1.76 0.00 0.00 -1.95 0.00 0.00 55.36 51.61 1b9l s GLN 119 Cb -0.03 -1.79 0.00 0.00 -0.22 0.00 0.00 33.01 30.97 1b9l s GLN 119 CO 0.01 0.32 0.00 0.54 -0.25 0.00 0.00 175.29 175.91