#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b9l s GLN 3 N 0.00 2.29 0.00 0.00 2.00 -1.26 -5.03 119.66 117.66 1b9l s GLN 3 Ca 0.00 -3.06 0.00 0.00 -2.00 0.00 0.00 55.36 50.30 1b9l s GLN 3 Cb 0.00 -3.40 0.00 0.00 0.80 0.00 0.00 33.01 30.41 1b9l s GLN 3 CO 0.00 -1.22 0.22 -2.30 -0.50 0.00 0.00 175.29 171.49 1b9l n PRO 4 N 2.43 0.00 -3.53 1.67 -0.02 -1.26 -4.71 135.00 129.58 1b9l n PRO 4 Ca 0.14 -0.06 -0.22 0.00 -2.02 0.00 0.00 63.50 61.33 1b9l n PRO 4 Cb 0.34 -1.01 -0.14 0.00 -0.02 0.00 0.00 33.50 32.66 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 1.46 0.08 -0.12 3.55 0.00 -1.26 -2.83 121.76 122.63 1b9l s ALA 5 Ca 0.00 -0.16 -0.22 0.00 0.00 0.00 0.00 51.96 51.58 1b9l s ALA 5 Cb 0.00 -1.26 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 1b9l s ALA 5 CO 0.00 -1.29 0.65 0.00 0.00 0.00 0.00 175.76 175.12 1b9l s ALA 6 N 2.23 3.44 -0.21 0.00 0.00 0.27 -4.81 121.76 122.68 1b9l s ALA 6 Ca 0.06 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.90 1b9l s ALA 6 Cb -0.16 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 1b9l s ALA 6 CO -0.16 -0.26 0.03 0.42 0.00 0.00 0.00 175.76 175.79 1b9l s ILE 7 N 1.21 4.17 -0.19 0.00 1.01 -1.26 -2.31 121.20 123.83 1b9l s ILE 7 Ca 0.33 -0.23 -0.06 0.00 0.00 0.00 0.00 60.65 60.68 1b9l s ILE 7 Cb -0.17 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.36 1b9l s ILE 7 CO 0.14 0.40 0.03 -0.63 0.00 0.00 0.00 174.94 174.88 1b9l s ILE 8 N 1.11 4.41 -0.12 2.92 1.01 0.13 -4.96 121.20 125.69 1b9l s ILE 8 Ca 0.03 -0.16 0.03 0.00 0.00 0.00 0.00 60.65 60.54 1b9l s ILE 8 Cb -0.14 -2.99 0.01 0.00 0.01 0.00 0.00 42.46 39.35 1b9l s ILE 8 CO 0.02 0.45 -0.20 -0.13 0.00 0.00 0.00 174.94 175.08 1b9l s ARG 9 N 0.60 2.74 -0.45 2.79 0.52 -1.26 -0.92 118.95 122.98 1b9l s ARG 9 Ca 0.01 -0.76 -0.10 0.00 -0.52 0.00 0.00 55.73 54.37 1b9l s ARG 9 Cb -0.13 -2.21 0.10 0.00 0.52 0.00 0.00 34.95 33.22 1b9l s ARG 9 CO 0.02 0.01 0.31 0.42 0.02 0.00 0.00 175.30 176.08 1b9l s ILE 10 N 0.76 4.32 -0.16 1.52 1.01 -0.59 -5.01 121.20 123.04 1b9l s ILE 10 Ca -0.10 -1.53 -0.19 0.00 0.00 0.00 0.00 60.65 58.84 1b9l s ILE 10 Cb -0.16 -3.72 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1b9l s ILE 10 CO 0.01 -0.63 0.51 -0.54 0.00 0.00 0.00 174.94 174.29 1b9l s LYS 11 N 1.42 4.26 -1.12 2.79 1.02 -1.26 -2.10 119.74 124.74 1b9l s LYS 11 Ca 0.04 0.45 -0.19 0.00 0.02 0.00 0.00 55.97 56.29 1b9l s LYS 11 Cb -0.25 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.54 1b9l s LYS 11 CO 0.01 -0.03 0.81 0.09 -0.92 0.00 0.00 175.35 175.32 1b9l n ASN 12 N 4.34 -5.53 -4.64 2.83 5.03 -1.20 -4.92 115.26 111.17 1b9l n ASN 12 Ca -0.05 -0.97 -0.43 0.00 0.87 0.00 0.00 54.58 53.99 1b9l n ASN 12 Cb 0.51 -3.61 -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 -6.32 3.99 -0.27 3.41 2.96 0.23 -4.84 118.68 117.85 1b9l s LEU 13 Ca 0.47 1.30 -0.10 0.00 -0.22 0.00 0.00 54.13 55.59 1b9l s LEU 13 Cb -0.16 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1b9l s LEU 13 CO 0.85 -0.90 0.15 -0.13 -1.32 0.00 0.00 176.35 174.99 1b9l s ARG 14 N 3.75 3.85 0.25 1.98 0.52 -1.26 -0.83 118.95 127.21 1b9l s ARG 14 Ca 0.51 -0.37 0.01 0.00 -0.52 0.00 0.00 55.73 55.36 1b9l s ARG 14 Cb -0.16 -3.53 -0.05 0.00 0.52 0.00 0.00 34.95 31.72 1b9l s ARG 14 CO 0.17 -0.17 0.11 -0.51 0.02 0.00 0.00 175.30 174.92 1b9l s LEU 15 N 1.66 1.56 0.00 2.53 1.02 -1.04 -5.04 118.68 119.37 1b9l s LEU 15 Ca 0.07 -1.40 0.03 0.00 0.02 0.00 0.00 54.13 52.84 1b9l s LEU 15 Cb -0.16 0.10 -0.01 0.00 0.02 0.00 0.00 46.19 46.15 1b9l s LEU 15 CO 0.08 -0.77 -0.10 -0.13 0.02 0.00 0.00 176.35 175.45 1b9l s ARG 16 N -4.03 0.79 0.18 1.70 0.52 -1.26 -1.54 118.95 115.31 1b9l s ARG 16 Ca 0.38 -0.42 -0.23 0.00 -0.52 0.00 0.00 55.73 54.94 1b9l s ARG 16 Cb 0.07 -0.76 0.07 0.00 0.52 0.00 0.00 34.95 34.86 1b9l s ARG 16 CO 0.14 0.20 1.00 -0.08 0.02 0.00 0.00 175.30 176.58 1b9l s THR 17 N -0.36 0.00 -0.24 0.02 -1.32 -0.61 -4.65 115.64 108.48 1b9l s THR 17 Ca 0.03 -0.64 -0.23 0.00 -1.21 0.00 0.00 61.69 59.65 1b9l s THR 17 Cb -0.05 -2.50 -0.01 0.00 -1.51 0.00 0.00 72.50 68.43 1b9l s THR 17 CO -0.00 0.00 0.74 -0.36 -2.21 0.00 0.00 174.62 172.78 1b9l s PHE 18 N -2.64 3.31 -0.06 9.09 0.08 -1.26 -0.91 117.98 125.59 1b9l s PHE 18 Ca 0.17 1.00 -0.02 0.00 0.12 0.00 0.00 56.93 58.20 1b9l s PHE 18 Cb -0.02 -2.95 0.03 0.00 -0.57 0.00 0.00 43.02 39.52 1b9l s PHE 18 CO 0.04 -0.35 0.07 0.42 -0.10 0.00 0.00 175.22 175.30 1b9l s ILE 19 N 2.61 -0.11 0.00 0.64 1.01 -1.23 0.64 121.20 124.76 1b9l s ILE 19 Ca 0.31 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.32 1b9l s ILE 19 Cb -0.15 -0.21 0.00 0.00 0.01 0.00 0.00 42.46 42.11 1b9l s ILE 19 CO 0.08 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.75 1b9l n GLY 20 N 5.30 3.03 0.02 6.18 0.00 -0.20 -4.78 105.19 114.74 1b9l n GLY 20 Ca -0.04 -1.93 0.02 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.41 0.19 -1.66 -0.61 -0.00 -1.26 -4.38 119.36 110.23 1b9l n ILE 21 Ca 0.00 -0.26 -0.40 0.00 -0.00 0.00 0.00 62.75 62.10 1b9l n ILE 21 Cb 0.00 -0.06 0.03 0.00 -0.00 0.00 0.00 39.64 39.60 1b9l n ILE 21 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 1b9l n LYS 22 N -1.98 1.44 -0.35 6.28 5.02 -1.26 -4.63 118.16 122.68 1b9l n LYS 22 Ca -0.06 0.52 0.02 0.00 -2.02 0.00 0.00 58.31 56.78 1b9l n LYS 22 Cb 0.42 -2.26 0.09 0.00 -0.02 0.00 0.00 35.03 33.25 1b9l n LYS 22 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1b9l h GLU 23 N 1.37 -0.01 0.29 1.97 4.39 -1.98 -0.93 114.58 119.68 1b9l h GLU 23 Ca -0.48 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.21 1b9l h GLU 23 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 1b9l h GLU 23 CO 0.56 -0.01 -0.14 1.49 -1.16 0.00 0.00 179.01 179.75 1b9l h GLU 24 N -0.01 -0.38 -0.86 2.33 4.81 -1.98 -0.67 114.58 117.83 1b9l h GLU 24 Ca 0.40 0.03 0.16 0.00 -0.13 0.00 0.00 59.36 59.81 1b9l h GLU 24 Cb 0.65 0.09 -0.06 0.00 0.63 0.00 0.00 28.75 30.05 1b9l h GLU 24 CO -0.96 -0.18 0.56 0.93 -0.73 0.00 0.00 179.01 178.63 1b9l h GLU 25 N -0.50 0.53 0.00 1.92 5.08 -1.51 0.19 114.58 120.28 1b9l h GLU 25 Ca -0.04 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 1b9l h GLU 25 Cb 0.37 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1b9l h GLU 25 CO 0.07 0.35 -0.64 -0.84 -1.00 0.00 0.00 179.01 176.95 1b9l h ILE 26 N 0.55 0.00 0.00 3.13 3.07 -1.10 -3.34 117.51 119.82 1b9l h ILE 26 Ca 0.44 -0.53 -0.30 0.00 1.55 0.00 0.00 64.86 66.01 1b9l h ILE 26 Cb 0.87 1.12 -0.05 0.00 -0.27 0.00 0.00 36.82 38.48 1b9l h ILE 26 CO -0.18 0.00 -1.78 0.59 -1.05 0.00 0.00 178.15 175.73 1b9l n ASN 27 N -2.17 0.83 -4.22 2.16 3.02 0.42 -4.94 115.26 110.35 1b9l n ASN 27 Ca 0.03 0.37 -0.26 0.00 -0.03 0.00 0.00 54.58 54.69 1b9l n ASN 27 Cb 0.45 0.02 -0.15 0.00 -0.61 0.00 0.00 39.78 39.49 1b9l n ASN 27 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1b9l s ASN 28 N -6.06 2.35 0.55 6.41 -0.87 0.15 -5.08 114.94 112.40 1b9l s ASN 28 Ca -0.06 -0.43 -0.19 0.00 -1.57 0.00 0.00 52.86 50.61 1b9l s ASN 28 Cb 0.08 -0.23 -0.05 0.00 -0.02 0.00 0.00 41.25 41.03 1b9l s ASN 28 CO 0.82 0.20 1.12 -0.13 -2.57 0.00 0.00 177.10 176.54 1b9l s ARG 29 N -0.80 3.33 0.20 -0.60 0.52 -1.26 -4.66 118.95 115.67 1b9l s ARG 29 Ca 0.07 1.56 0.10 0.00 -0.52 0.00 0.00 55.73 56.94 1b9l s ARG 29 Cb -0.08 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 33.34 1b9l s ARG 29 CO 0.00 -0.86 -0.17 -0.65 0.02 0.00 0.00 175.30 173.65 1b9l s GLN 30 N -3.39 1.77 -0.06 3.54 -0.21 -0.09 -4.83 119.66 116.39 1b9l s GLN 30 Ca 0.71 -1.45 -0.24 0.00 0.02 0.00 0.00 55.36 54.40 1b9l s GLN 30 Cb -0.23 -1.97 -0.04 0.00 1.00 0.00 0.00 33.01 31.78 1b9l s GLN 30 CO 0.28 0.40 0.74 -0.51 -2.12 0.00 0.00 175.29 174.09 1b9l s ASP 31 N -2.86 7.04 0.10 5.90 1.01 -1.26 -1.58 116.67 125.02 1b9l s ASP 31 Ca 0.24 1.25 0.04 0.00 0.71 0.00 0.00 52.55 54.79 1b9l s ASP 31 Cb -0.08 -2.43 -0.04 0.00 1.01 0.00 0.00 42.92 41.38 1b9l s ASP 31 CO 0.13 -0.14 -0.11 0.27 0.21 0.00 0.00 175.17 175.53 1b9l s ILE 32 N 0.85 1.02 -0.12 0.77 -4.36 -0.59 -2.80 121.20 115.98 1b9l s ILE 32 Ca 0.39 -1.66 0.01 0.00 -0.26 0.00 0.00 60.65 59.14 1b9l s ILE 32 Cb -0.18 -1.40 0.02 0.00 1.25 0.00 0.00 42.46 42.15 1b9l s ILE 32 CO 0.19 -0.53 -0.14 -0.69 0.24 0.00 0.00 174.94 174.01 1b9l s VAL 33 N -2.39 1.43 -0.12 8.37 1.01 -0.30 -2.49 120.40 125.92 1b9l s VAL 33 Ca 0.06 -0.58 -0.03 0.00 0.00 0.00 0.00 61.98 61.43 1b9l s VAL 33 Cb -0.03 -1.34 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1b9l s VAL 33 CO 0.01 0.43 -0.02 -0.63 0.00 0.00 0.00 175.10 174.89 1b9l s ILE 34 N 1.21 4.12 -0.08 2.22 1.01 -0.01 -0.59 121.20 129.07 1b9l s ILE 34 Ca -0.02 -0.30 0.01 0.00 0.00 0.00 0.00 60.65 60.34 1b9l s ILE 34 Cb -0.14 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.58 1b9l s ILE 34 CO -0.05 0.54 -0.10 0.20 0.00 0.00 0.00 174.94 175.54 1b9l s ASN 35 N -0.21 1.87 -0.08 3.58 -0.87 -0.51 -0.60 114.94 118.12 1b9l s ASN 35 Ca 0.05 -0.29 0.05 0.00 -1.57 0.00 0.00 52.86 51.10 1b9l s ASN 35 Cb -0.13 -0.80 -0.01 0.00 -0.02 0.00 0.00 41.25 40.30 1b9l s ASN 35 CO 0.02 -0.03 -0.24 -0.69 -2.57 0.00 0.00 177.10 173.59 1b9l s VAL 36 N 1.10 2.03 -0.13 1.60 1.01 -0.89 -1.75 120.40 123.36 1b9l s VAL 36 Ca -0.07 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.91 1b9l s VAL 36 Cb -0.14 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.51 1b9l s VAL 36 CO -0.01 0.56 -0.22 -0.89 0.00 0.00 0.00 175.10 174.54 1b9l s THR 37 N 0.08 2.01 -0.06 3.92 2.01 -0.04 -1.55 115.64 122.02 1b9l s THR 37 Ca -0.11 -0.96 0.05 0.00 0.31 0.00 0.00 61.69 60.98 1b9l s THR 37 Cb -0.16 -1.78 -0.00 0.00 0.01 0.00 0.00 72.50 70.58 1b9l s THR 37 CO 0.06 0.54 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.70 1b9l s ILE 38 N 0.76 1.68 0.10 1.82 1.01 -0.09 -0.76 121.20 125.72 1b9l s ILE 38 Ca -0.09 -0.84 0.07 0.00 0.00 0.00 0.00 60.65 59.79 1b9l s ILE 38 Cb -0.16 -1.44 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1b9l s ILE 38 CO -0.00 0.47 -0.10 -1.00 0.00 0.00 0.00 174.94 174.31 1b9l s HIS 39 N 0.10 2.74 -0.09 3.97 3.76 0.86 -0.69 115.29 125.94 1b9l s HIS 39 Ca -0.08 -0.15 -0.30 0.00 -0.15 0.00 0.00 55.06 54.38 1b9l s HIS 39 Cb -0.14 -1.44 0.11 0.00 1.11 0.00 0.00 32.58 32.23 1b9l s HIS 39 CO 0.04 0.42 0.94 1.52 -0.85 0.00 0.00 174.74 176.81 1b9l s TYR 40 N -1.21 -0.37 -0.13 1.40 1.13 -0.98 -1.69 117.35 115.50 1b9l s TYR 40 Ca 0.21 0.47 -0.40 0.00 -1.41 0.00 0.00 57.07 55.94 1b9l s TYR 40 Cb -0.11 0.49 -0.18 0.00 -1.10 0.00 0.00 41.96 41.06 1b9l s TYR 40 CO 0.13 -0.44 1.45 -2.30 -2.51 0.00 0.00 175.55 171.89 1b9l n PRO 41 N 0.31 0.75 0.14 -3.49 -0.02 -1.26 -0.56 135.00 130.86 1b9l n PRO 41 Ca -0.10 0.27 0.05 0.00 -2.02 0.00 0.00 63.50 61.71 1b9l n PRO 41 Cb 0.59 -1.88 0.51 0.00 -0.02 0.00 0.00 33.50 32.71 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 5.12 1.80 -0.31 3.55 0.00 -1.84 -2.92 119.26 124.66 1b9l h ALA 42 Ca -0.47 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.32 1b9l h ALA 42 Cb 1.35 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1b9l h ALA 42 CO 0.84 0.17 -0.08 0.38 0.00 0.00 0.00 179.25 180.55 1b9l h ASP 43 N 0.25 0.61 0.56 0.00 2.03 -1.90 -2.87 116.42 115.10 1b9l h ASP 43 Ca 0.06 -0.37 -0.01 0.00 -0.73 0.00 0.00 57.03 55.98 1b9l h ASP 43 Cb 0.05 -0.17 -0.00 0.00 -0.83 0.00 0.00 39.33 38.38 1b9l h ASP 43 CO -0.01 0.84 -0.05 0.11 -1.03 0.00 0.00 179.24 179.10 1b9l h LYS 44 N 0.37 0.00 -0.25 4.15 1.57 -1.91 -2.66 116.57 117.84 1b9l h LYS 44 Ca 0.08 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1b9l h LYS 44 Cb 0.58 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 1b9l h LYS 44 CO 0.03 0.05 0.12 0.00 -0.57 0.00 0.00 179.45 179.09 1b9l h ALA 45 N 1.95 0.33 0.00 3.86 0.00 -1.38 -1.74 119.26 122.27 1b9l h ALA 45 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1b9l h ALA 45 Cb 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1b9l h ALA 45 CO 0.01 -0.12 0.00 -0.09 0.00 0.00 0.00 179.25 179.05 1b9l h ARG 46 N 0.28 0.00 -0.00 0.00 9.65 -1.51 -1.78 114.38 121.02 1b9l h ARG 46 Ca 0.09 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1b9l h ARG 46 Cb 0.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 1b9l h ARG 46 CO -0.01 0.00 -0.28 2.41 2.80 0.00 0.00 179.97 184.89 1b9l n THR 47 N -2.81 0.00 -0.45 0.20 -1.04 -0.71 -4.46 114.28 105.01 1b9l n THR 47 Ca 0.00 -0.00 0.38 0.00 -2.04 0.00 0.00 64.05 62.38 1b9l n THR 47 Cb 0.22 -0.07 0.63 0.00 -1.82 0.00 0.00 70.33 69.29 1b9l n THR 47 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1b9l n SER 48 N -1.47 0.17 -0.04 8.00 2.88 -0.67 -0.76 113.62 121.73 1b9l n SER 48 Ca 0.06 1.23 -0.09 0.00 -1.33 0.00 0.00 58.87 58.74 1b9l n SER 48 Cb 0.34 -0.60 -0.14 0.00 -0.75 0.00 0.00 64.21 63.05 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 -4.45 0.65 0.09 -1.46 0.28 -1.26 -4.36 120.64 110.12 1b9l n GLU 49 Ca 0.37 0.22 -0.13 0.00 -0.16 0.00 0.00 57.16 57.46 1b9l n GLU 49 Cb 1.46 -1.72 -0.08 0.00 1.43 0.00 0.00 31.44 32.52 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 -0.20 -2.71 -1.84 3.32 -1.25 -3.45 116.42 110.29 1b9l h ASP 50 Ca -0.35 -0.23 -0.56 0.00 0.02 0.00 0.00 57.03 55.91 1b9l h ASP 50 Cb 2.06 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 41.64 1b9l h ASP 50 CO 0.07 0.14 -0.44 0.27 -1.72 0.00 0.00 179.24 177.55 1b9l s ILE 51 N -4.81 5.31 -2.78 0.35 -4.36 -0.97 -5.04 121.20 108.90 1b9l s ILE 51 Ca -0.15 -0.53 0.25 0.00 -0.26 0.00 0.00 60.65 59.96 1b9l s ILE 51 Cb 0.03 -3.71 0.25 0.00 1.25 0.00 0.00 42.46 40.28 1b9l s ILE 51 CO 0.60 -0.05 1.36 -0.46 0.24 0.00 0.00 174.94 176.63 1b9l n ASN 52 N -0.35 2.55 0.28 4.36 6.94 -1.26 -3.85 115.26 123.92 1b9l n ASN 52 Ca -0.06 -1.82 0.14 0.00 -0.02 0.00 0.00 54.58 52.82 1b9l n ASN 52 Cb 0.53 0.05 0.81 0.00 -2.36 0.00 0.00 39.78 38.81 1b9l n ASN 52 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 1b9l h ASP 53 N 3.92 0.00 0.00 0.53 5.19 -1.96 -3.47 116.42 120.63 1b9l h ASP 53 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1b9l h ASP 53 Cb 0.86 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.37 1b9l h ASP 53 CO 0.00 0.07 0.00 0.00 -3.12 0.00 0.00 179.24 176.19 1b9l n ALA 54 N -2.28 -0.29 -2.58 3.45 0.00 -1.25 -4.84 120.51 112.72 1b9l n ALA 54 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 1b9l n ALA 54 Cb 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.61 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 0.00 4.13 -0.37 0.00 0.20 -1.26 -4.99 118.68 116.39 1b9l s LEU 55 Ca 0.00 1.49 -0.06 0.00 0.69 0.00 0.00 54.13 56.26 1b9l s LEU 55 Cb 0.00 -3.54 0.07 0.00 -0.43 0.00 0.00 46.19 42.29 1b9l s LEU 55 CO 0.00 -0.69 0.15 0.21 -0.29 0.00 0.00 176.35 175.73 1b9l s ASN 56 N 1.45 5.32 0.60 3.68 3.84 -1.26 -4.94 114.94 123.63 1b9l s ASN 56 Ca 0.48 -1.43 0.33 0.00 0.21 0.00 0.00 52.86 52.45 1b9l s ASN 56 Cb -0.17 -1.87 1.90 0.00 -0.55 0.00 0.00 41.25 40.56 1b9l s ASN 56 CO 0.09 -0.41 2.25 0.10 -2.79 0.00 0.00 177.10 176.34 1b9l h TYR 57 N 8.20 0.00 -0.49 0.43 -0.00 -1.99 -0.61 116.97 122.51 1b9l h TYR 57 Ca -0.21 0.00 -0.12 0.00 0.00 0.00 0.00 58.73 58.40 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 0.59 0.02 -0.15 0.00 -0.00 0.00 0.00 178.16 178.62 1b9l h ARG 58 N 0.00 0.97 -0.28 0.10 3.08 -1.99 -1.14 114.38 115.12 1b9l h ARG 58 Ca -0.00 -0.39 -0.13 0.00 0.07 0.00 0.00 59.98 59.53 1b9l h ARG 58 Cb 0.07 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1b9l h ARG 58 CO 0.00 1.06 -0.35 1.15 -1.07 0.00 0.00 179.97 180.76 1b9l h THR 59 N 0.82 1.30 -0.13 2.04 2.02 -1.57 -0.05 112.91 117.35 1b9l h THR 59 Ca 0.12 -1.53 0.03 0.00 0.77 0.00 0.00 66.41 65.80 1b9l h THR 59 Cb 0.72 1.63 -0.03 0.00 -1.74 0.00 0.00 68.15 68.73 1b9l h THR 59 CO 0.06 0.49 -0.08 0.58 0.37 0.00 0.00 175.52 176.94 1b9l h VAL 60 N 0.47 0.76 -0.12 3.16 2.07 -1.22 -0.58 116.25 120.80 1b9l h VAL 60 Ca 0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1b9l h VAL 60 Cb 0.93 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1b9l h VAL 60 CO 0.08 0.00 0.07 0.74 0.02 0.00 0.00 177.57 178.48 1b9l h THR 61 N -0.07 1.08 -0.43 2.57 2.02 -1.08 -0.95 112.91 116.04 1b9l h THR 61 Ca 0.08 -0.20 0.09 0.00 0.77 0.00 0.00 66.41 67.14 1b9l h THR 61 Cb 0.19 1.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.50 1b9l h THR 61 CO -0.18 0.07 -0.17 0.50 0.37 0.00 0.00 175.52 176.11 1b9l h LYS 62 N 0.11 -0.07 -0.03 6.66 3.64 -0.66 -0.08 116.57 126.14 1b9l h LYS 62 Ca 0.04 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1b9l h LYS 62 Cb 0.05 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1b9l h LYS 62 CO -0.01 -0.05 -0.04 -0.91 -2.27 0.00 0.00 179.45 176.17 1b9l h ASN 63 N -0.08 -0.13 -0.14 4.20 2.35 -0.80 0.08 115.58 121.07 1b9l h ASN 63 Ca 0.21 0.03 0.04 0.00 -0.55 0.00 0.00 56.30 56.03 1b9l h ASN 63 Cb 0.40 0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.79 1b9l h ASN 63 CO -0.49 -0.06 -0.12 0.40 -1.65 0.00 0.00 177.43 175.51 1b9l h ILE 64 N -0.06 0.67 0.19 2.81 2.04 -0.57 0.23 117.51 122.81 1b9l h ILE 64 Ca 0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.90 1b9l h ILE 64 Cb 0.11 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.83 1b9l h ILE 64 CO -0.07 0.00 -0.25 0.40 0.00 0.00 0.00 178.15 178.23 1b9l h ILE 65 N -0.13 0.45 -0.22 -0.67 2.04 -0.86 -0.44 117.51 117.68 1b9l h ILE 65 Ca 0.09 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.01 1b9l h ILE 65 Cb 0.26 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 36.73 1b9l h ILE 65 CO -0.22 0.00 -0.24 -0.61 0.00 0.00 0.00 178.15 177.08 1b9l h GLN 66 N -0.50 -0.24 -0.58 2.37 4.15 -0.58 -0.87 115.11 118.86 1b9l h GLN 66 Ca 0.01 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 1b9l h GLN 66 Cb 0.49 0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 1b9l h GLN 66 CO -0.10 -0.16 0.19 1.25 -1.93 0.00 0.00 178.83 178.08 1b9l h HIS 67 N -0.25 0.88 -0.01 3.99 2.76 -0.30 -2.94 115.15 119.28 1b9l h HIS 67 Ca 0.13 -0.06 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 1b9l h HIS 67 Cb 0.45 -0.26 0.01 0.00 1.55 0.00 0.00 27.41 29.15 1b9l h HIS 67 CO -0.38 0.71 -0.29 0.28 -1.30 0.00 0.00 177.93 176.94 1b9l h VAL 68 N 0.84 1.52 0.00 5.26 2.07 -0.56 -3.34 116.25 122.04 1b9l h VAL 68 Ca 0.19 -1.92 -0.06 0.00 0.82 0.00 0.00 66.70 65.73 1b9l h VAL 68 Cb 0.23 2.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.68 1b9l h VAL 68 CO -0.01 0.53 -0.29 -0.33 0.02 0.00 0.00 177.57 177.49 1b9l h GLU 69 N -0.42 0.00 -0.75 1.57 5.08 -1.21 -3.17 114.58 115.69 1b9l h GLU 69 Ca -0.03 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.18 1b9l h GLU 69 Cb 1.03 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.19 1b9l h GLU 69 CO 0.06 0.29 0.18 0.09 -1.00 0.00 0.00 179.01 178.63 1b9l n ASN 70 N -4.14 4.69 -4.10 1.42 5.03 -1.11 -4.96 115.26 112.09 1b9l n ASN 70 Ca -0.02 -3.00 -0.12 0.00 0.87 0.00 0.00 54.58 52.31 1b9l n ASN 70 Cb 0.34 -0.71 -0.09 0.00 -1.02 0.00 0.00 39.78 38.30 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 -0.78 0.27 -0.02 6.41 0.02 -1.20 -5.06 114.94 114.58 1b9l s ASN 71 Ca 0.48 -1.39 0.08 0.00 -1.02 0.00 0.00 52.86 51.01 1b9l s ASN 71 Cb 0.38 0.41 -0.02 0.00 0.02 0.00 0.00 41.25 42.05 1b9l s ASN 71 CO 0.13 -0.89 -0.25 -0.13 0.02 0.00 0.00 177.10 175.98 1b9l s ARG 72 N -4.08 2.03 0.04 -0.60 0.52 -1.26 -4.19 118.95 111.41 1b9l s ARG 72 Ca 0.38 -0.89 0.06 0.00 -0.52 0.00 0.00 55.73 54.76 1b9l s ARG 72 Cb 0.06 -1.96 -0.02 0.00 0.52 0.00 0.00 34.95 33.55 1b9l s ARG 72 CO 0.13 0.53 -0.18 -0.06 0.02 0.00 0.00 175.30 175.74 1b9l s PHE 73 N -0.57 1.58 -0.17 -0.53 0.40 0.21 -5.00 117.98 113.90 1b9l s PHE 73 Ca 0.09 -0.36 -0.16 0.00 -0.60 0.00 0.00 56.93 55.91 1b9l s PHE 73 Cb -0.10 -0.95 -0.22 0.00 0.51 0.00 0.00 43.02 42.26 1b9l s PHE 73 CO -0.01 0.06 0.28 -1.13 0.70 0.00 0.00 175.22 175.12 1b9l n SER 74 N 1.95 1.97 -4.29 1.36 3.41 -1.26 -1.04 113.62 115.72 1b9l n SER 74 Ca -0.17 0.34 -0.23 0.00 -0.26 0.00 0.00 58.87 58.54 1b9l n SER 74 Cb 0.54 -0.93 -0.12 0.00 -0.26 0.00 0.00 64.21 63.44 1b9l n SER 74 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1b9l s LEU 75 N -7.53 2.32 0.27 1.04 1.02 -1.26 -3.17 118.68 111.37 1b9l s LEU 75 Ca -0.26 -0.71 -0.04 0.00 0.02 0.00 0.00 54.13 53.14 1b9l s LEU 75 Cb 0.06 -0.86 0.35 0.00 0.02 0.00 0.00 46.19 45.76 1b9l s LEU 75 CO 0.67 0.04 1.88 -0.07 0.02 0.00 0.00 176.35 178.89 1b9l h LEU 76 N 3.94 0.97 -0.99 1.79 3.38 -1.97 -2.39 115.31 120.03 1b9l h LEU 76 Ca -0.45 -0.09 0.07 0.00 0.09 0.00 0.00 57.88 57.50 1b9l h LEU 76 Cb 1.18 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1b9l h LEU 76 CO 0.42 0.79 0.64 -0.33 0.09 0.00 0.00 178.44 180.04 1b9l h GLU 77 N 1.08 1.11 -0.08 1.13 3.07 -1.98 0.19 114.58 119.09 1b9l h GLU 77 Ca 0.27 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 59.04 1b9l h GLU 77 Cb 0.06 -0.25 -0.00 0.00 -0.84 0.00 0.00 28.75 27.71 1b9l h GLU 77 CO -0.04 0.73 -0.02 0.87 -1.40 0.00 0.00 179.01 179.15 1b9l h LYS 78 N 1.14 0.16 -0.18 2.33 6.56 -1.85 -2.18 116.57 122.56 1b9l h LYS 78 Ca 0.43 -0.06 0.03 0.00 -1.06 0.00 0.00 60.65 59.99 1b9l h LYS 78 Cb 0.19 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.81 1b9l h LYS 78 CO -0.18 0.49 0.01 1.25 -2.06 0.00 0.00 179.45 178.96 1b9l h LEU 79 N -0.18 -0.04 -1.00 2.94 5.85 -1.09 -0.77 115.31 121.03 1b9l h LEU 79 Ca 0.02 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1b9l h LEU 79 Cb 0.43 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.47 1b9l h LEU 79 CO 0.01 0.01 0.55 0.74 -0.34 0.00 0.00 178.44 179.41 1b9l h THR 80 N 0.07 1.25 -0.04 1.05 2.02 -0.67 -1.95 112.91 114.65 1b9l h THR 80 Ca 0.08 -0.55 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1b9l h THR 80 Cb 0.09 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.46 1b9l h THR 80 CO -0.13 0.26 0.01 -0.61 0.37 0.00 0.00 175.52 175.43 1b9l h GLN 81 N 1.26 0.07 -0.53 6.66 5.75 -0.85 -1.29 115.11 126.17 1b9l h GLN 81 Ca 0.33 -0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.91 1b9l h GLN 81 Cb -0.06 -0.01 -0.08 0.00 1.07 0.00 0.00 27.48 28.40 1b9l h GLN 81 CO -0.06 0.28 0.05 -0.44 -2.65 0.00 0.00 178.83 176.00 1b9l h ASP 82 N -0.16 -0.14 -0.42 -0.69 5.19 -0.83 0.17 116.42 119.55 1b9l h ASP 82 Ca 0.01 0.12 -0.08 0.00 -0.62 0.00 0.00 57.03 56.46 1b9l h ASP 82 Cb 0.24 0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.93 1b9l h ASP 82 CO 0.00 -0.04 -0.03 0.58 -3.12 0.00 0.00 179.24 176.63 1b9l h VAL 83 N 0.17 1.25 -0.28 -1.35 2.07 -1.28 -1.05 116.25 115.78 1b9l h VAL 83 Ca 0.27 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 1b9l h VAL 83 Cb 0.41 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 1b9l h VAL 83 CO -0.41 0.38 0.17 0.25 0.02 0.00 0.00 177.57 177.97 1b9l h LEU 84 N 0.77 0.34 -0.40 2.57 5.85 0.08 -0.11 115.31 124.41 1b9l h LEU 84 Ca 0.14 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.84 1b9l h LEU 84 Cb 0.51 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 1b9l h LEU 84 CO 0.03 0.29 0.19 0.44 -0.34 0.00 0.00 178.44 179.04 1b9l h ASP 85 N 0.35 0.26 -0.43 1.25 3.32 -0.42 -1.09 116.42 119.65 1b9l h ASP 85 Ca 0.10 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 1b9l h ASP 85 Cb 0.02 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1b9l h ASP 85 CO -0.02 0.19 0.24 0.40 -1.72 0.00 0.00 179.24 178.33 1b9l h ILE 86 N 0.38 1.15 -0.15 0.35 2.04 -0.78 -2.69 117.51 117.81 1b9l h ILE 86 Ca 0.17 -0.40 -0.19 0.00 1.00 0.00 0.00 64.86 65.44 1b9l h ILE 86 Cb 0.10 0.54 0.01 0.00 -0.74 0.00 0.00 36.82 36.73 1b9l h ILE 86 CO -0.13 0.17 -0.67 0.00 0.00 0.00 0.00 178.15 177.52 1b9l h ALA 87 N 1.62 0.28 -0.25 1.87 0.00 -0.19 -3.20 119.26 119.40 1b9l h ALA 87 Ca 0.17 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1b9l h ALA 87 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1b9l h ALA 87 CO -0.03 0.58 0.00 2.89 0.00 0.00 0.00 179.25 182.69 1b9l n ARG 88 N -4.05 1.97 -0.30 0.00 1.85 -0.49 -4.25 116.66 111.39 1b9l n ARG 88 Ca -0.07 -1.06 -0.05 0.00 -1.00 0.00 0.00 57.85 55.66 1b9l n ARG 88 Cb 0.69 -1.45 0.08 0.00 -1.05 0.00 0.00 32.46 30.73 1b9l n ARG 88 CO 0.00 0.00 0.00 1.49 -0.01 0.00 0.00 177.63 179.11 1b9l h GLU 89 N 1.55 1.20 -6.55 2.89 4.81 -1.47 -3.44 114.58 113.58 1b9l h GLU 89 Ca 0.00 -0.20 -0.53 0.00 -0.13 0.00 0.00 59.36 58.50 1b9l h GLU 89 Cb 0.65 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.84 1b9l h GLU 89 CO 0.08 0.95 0.62 -1.58 -0.73 0.00 0.00 179.01 178.34 1b9l s HIS 90 N -5.61 3.36 -0.83 0.92 2.46 -1.26 -4.91 115.29 109.42 1b9l s HIS 90 Ca -0.12 1.20 0.00 0.00 0.47 0.00 0.00 55.06 56.60 1b9l s HIS 90 Cb 0.16 -3.52 0.00 0.00 -0.13 0.00 0.00 32.58 29.09 1b9l s HIS 90 CO 0.84 -1.68 0.75 -2.39 -2.47 0.00 0.00 174.74 169.79 1b9l n HIS 91 N 3.63 0.00 0.05 3.88 1.44 -1.26 -0.82 115.22 122.13 1b9l n HIS 91 Ca 0.09 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.82 1b9l n HIS 91 Cb 0.44 -0.28 -0.06 0.00 0.12 0.00 0.00 29.99 30.21 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 -1.25 0.99 -1.60 -1.40 7.02 -1.26 -4.89 117.44 115.05 1b9l n TRP 92 Ca 0.00 0.32 -0.45 0.00 -1.02 0.00 0.00 57.50 56.35 1b9l n TRP 92 Cb 0.12 -1.06 -0.04 0.00 -2.42 0.00 0.00 31.31 27.91 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 -2.84 0.44 -0.09 -0.99 0.31 -0.00 -4.37 118.33 110.78 1b9l n VAL 93 Ca -0.07 -0.31 -0.18 0.00 -0.01 0.00 0.00 64.34 63.77 1b9l n VAL 93 Cb 0.77 -2.24 -0.12 0.00 -0.91 0.00 0.00 33.84 31.35 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 6.57 1.23 -3.66 2.52 2.02 -1.65 -3.47 112.91 116.46 1b9l h THR 94 Ca -0.41 -2.19 -0.19 0.00 0.77 0.00 0.00 66.41 64.39 1b9l h THR 94 Cb 1.26 2.58 -0.24 0.00 -1.74 0.00 0.00 68.15 70.01 1b9l h THR 94 CO 0.97 0.42 -0.63 -0.47 0.37 0.00 0.00 175.52 176.17 1b9l s TYR 95 N -2.28 0.03 -0.08 3.16 5.04 -1.23 -1.79 117.35 120.20 1b9l s TYR 95 Ca -0.24 -0.06 -0.07 0.00 -2.44 0.00 0.00 57.07 54.27 1b9l s TYR 95 Cb 0.02 -0.04 0.02 0.00 0.35 0.00 0.00 41.96 42.31 1b9l s TYR 95 CO 0.61 -0.12 0.21 0.00 -1.34 0.00 0.00 175.55 174.90 1b9l s ALA 96 N -0.61 -0.51 0.01 3.97 0.00 -0.70 -0.10 121.76 123.83 1b9l s ALA 96 Ca -0.07 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.51 1b9l s ALA 96 Cb -0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.71 1b9l s ALA 96 CO 0.00 -0.10 -0.06 -2.00 0.00 0.00 0.00 175.76 173.60 1b9l s GLU 97 N 0.18 0.46 -0.04 0.00 2.12 0.06 -0.24 118.70 121.25 1b9l s GLU 97 Ca -0.01 -0.37 -0.01 0.00 0.36 0.00 0.00 54.97 54.94 1b9l s GLU 97 Cb -0.02 -0.37 0.03 0.00 0.26 0.00 0.00 34.13 34.03 1b9l s GLU 97 CO -0.00 0.09 0.06 0.08 -0.54 0.00 0.00 175.26 174.95 1b9l s VAL 98 N -0.53 -0.09 -0.09 3.70 1.01 0.11 -0.86 120.40 123.65 1b9l s VAL 98 Ca -0.02 0.29 0.04 0.00 0.00 0.00 0.00 61.98 62.29 1b9l s VAL 98 Cb -0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 1b9l s VAL 98 CO -0.00 0.12 -0.23 -0.70 0.00 0.00 0.00 175.10 174.29 1b9l s GLU 99 N 1.52 2.89 -0.16 2.72 2.12 -0.72 -0.72 118.70 126.35 1b9l s GLU 99 Ca -0.04 -0.86 0.00 0.00 0.36 0.00 0.00 54.97 54.44 1b9l s GLU 99 Cb -0.12 -2.29 0.03 0.00 0.26 0.00 0.00 34.13 32.00 1b9l s GLU 99 CO -0.04 0.27 -0.13 0.42 -0.54 0.00 0.00 175.26 175.25 1b9l s ILE 100 N 0.12 1.57 -0.16 -3.70 1.01 -0.50 -1.43 121.20 118.13 1b9l s ILE 100 Ca -0.11 -0.73 -0.17 0.00 0.00 0.00 0.00 60.65 59.63 1b9l s ILE 100 Cb -0.16 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1b9l s ILE 100 CO 0.06 0.37 0.46 -1.81 0.00 0.00 0.00 174.94 174.02 1b9l s ASP 101 N 1.47 6.59 -0.63 3.58 1.11 0.24 -1.83 116.67 127.20 1b9l s ASP 101 Ca 0.03 0.70 -0.15 0.00 0.18 0.00 0.00 52.55 53.31 1b9l s ASP 101 Cb -0.14 -2.27 0.16 0.00 1.07 0.00 0.00 42.92 41.74 1b9l s ASP 101 CO -0.10 -0.05 0.58 -0.75 1.18 0.00 0.00 175.17 176.03 1b9l s LYS 102 N 0.98 3.16 0.24 8.23 2.20 0.27 -1.15 119.74 133.67 1b9l s LYS 102 Ca 0.23 -1.96 -0.31 0.00 -0.36 0.00 0.00 55.97 53.58 1b9l s LYS 102 Cb -0.15 -4.32 -0.12 0.00 -1.51 0.00 0.00 37.83 31.73 1b9l s LYS 102 CO 0.09 -1.31 1.64 1.28 -0.36 0.00 0.00 175.35 176.69 1b9l n LEU 103 N 4.82 4.05 -3.80 5.43 4.32 -1.12 -2.87 117.00 127.82 1b9l n LEU 103 Ca -0.05 1.10 -0.35 0.00 -0.02 0.00 0.00 56.01 56.70 1b9l n LEU 103 Cb 0.42 -1.57 0.03 0.00 -1.62 0.00 0.00 43.42 40.69 1b9l n LEU 103 CO 0.47 0.11 -0.11 1.41 -1.22 0.00 0.00 177.39 178.04 1b9l n HIS 104 N 3.04 -1.76 -0.05 -1.77 8.25 -0.80 -4.81 115.22 117.32 1b9l n HIS 104 Ca 0.13 0.38 -0.16 0.00 -0.26 0.00 0.00 57.72 57.81 1b9l n HIS 104 Cb 0.35 -3.30 -0.14 0.00 1.12 0.00 0.00 29.99 28.02 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 -4.42 1.26 -2.68 -1.41 0.00 -1.22 -4.87 120.51 107.17 1b9l n ALA 105 Ca -0.12 -0.87 -0.33 0.00 0.00 0.00 0.00 53.44 52.12 1b9l n ALA 105 Cb 0.59 -0.51 -0.09 0.00 0.00 0.00 0.00 19.45 19.45 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 -6.45 3.53 0.37 0.00 2.01 -1.26 -5.08 118.68 111.80 1b9l s LEU 106 Ca -0.19 0.04 -0.24 0.00 0.01 0.00 0.00 54.13 53.75 1b9l s LEU 106 Cb 0.07 -1.95 -0.10 0.00 0.01 0.00 0.00 46.19 44.23 1b9l s LEU 106 CO 0.75 0.32 0.96 0.00 1.01 0.00 0.00 176.35 179.39 1b9l s ARG 107 N -1.31 4.41 0.00 1.70 1.70 -1.26 -3.56 118.95 120.63 1b9l s ARG 107 Ca 0.17 1.30 0.00 0.00 -0.47 0.00 0.00 55.73 56.73 1b9l s ARG 107 Cb -0.11 -2.58 0.00 0.00 -0.57 0.00 0.00 34.95 31.68 1b9l s ARG 107 CO 0.07 0.12 0.00 0.66 -1.08 0.00 0.00 175.30 175.08 1b9l n TYR 108 N 0.12 0.00 -4.17 5.89 4.01 -1.26 -5.02 117.16 116.73 1b9l n TYR 108 Ca 0.04 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.62 1b9l n TYR 108 Cb 0.51 -0.18 -0.13 0.00 -0.31 0.00 0.00 39.34 39.24 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 -2.44 0.66 0.23 -0.72 0.00 -1.23 -5.07 121.76 113.19 1b9l s ALA 109 Ca 0.00 -0.57 -0.08 0.00 0.00 0.00 0.00 51.96 51.31 1b9l s ALA 109 Cb 0.00 -0.07 0.21 0.00 0.00 0.00 0.00 23.12 23.27 1b9l s ALA 109 CO 0.00 0.08 1.90 -0.44 0.00 0.00 0.00 175.76 177.30 1b9l h ASP 110 N 5.18 1.05 -5.75 0.00 5.19 -1.95 -3.41 116.42 116.73 1b9l h ASP 110 Ca -0.33 -0.04 0.31 0.00 -0.62 0.00 0.00 57.03 56.35 1b9l h ASP 110 Cb 1.19 -0.26 -0.06 0.00 0.18 0.00 0.00 39.33 40.38 1b9l h ASP 110 CO 0.45 0.77 0.84 -0.94 -3.12 0.00 0.00 179.24 177.24 1b9l s SER 111 N -6.05 0.01 -0.02 6.45 1.04 -1.26 -1.91 113.70 111.96 1b9l s SER 111 Ca -0.13 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.02 1b9l s SER 111 Cb 0.17 0.22 -0.00 0.00 0.10 0.00 0.00 66.02 66.51 1b9l s SER 111 CO 0.81 -0.44 -0.07 0.54 0.98 0.00 0.00 173.24 175.06 1b9l s VAL 112 N -2.05 0.63 0.12 5.02 0.11 -1.14 -4.90 120.40 118.18 1b9l s VAL 112 Ca 0.28 -0.30 0.06 0.00 -2.93 0.00 0.00 61.98 59.09 1b9l s VAL 112 Cb -0.01 -0.55 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1b9l s VAL 112 CO 0.01 0.19 -0.15 -0.94 -3.33 0.00 0.00 175.10 170.88 1b9l s SER 113 N 0.05 2.04 -0.15 3.54 1.04 -1.26 -0.57 113.70 118.39 1b9l s SER 113 Ca -0.00 -0.77 0.02 0.00 0.48 0.00 0.00 55.95 55.67 1b9l s SER 113 Cb -0.06 -0.08 0.01 0.00 0.10 0.00 0.00 66.02 65.99 1b9l s SER 113 CO -0.00 -0.11 -0.20 -0.32 0.98 0.00 0.00 173.24 173.59 1b9l s MET 114 N -2.48 3.05 -0.10 4.02 1.75 -0.76 -4.93 119.30 119.85 1b9l s MET 114 Ca 0.08 -0.83 0.03 0.00 -1.25 0.00 0.00 55.69 53.72 1b9l s MET 114 Cb -0.06 -2.50 -0.01 0.00 2.84 0.00 0.00 34.83 35.10 1b9l s MET 114 CO 0.03 -0.05 -0.21 0.99 -0.65 0.00 0.00 175.02 175.13 1b9l s THR 115 N 0.91 2.33 0.04 10.11 2.01 -1.26 -1.40 115.64 128.39 1b9l s THR 115 Ca -0.04 -0.93 0.05 0.00 0.31 0.00 0.00 61.69 61.08 1b9l s THR 115 Cb -0.15 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.43 1b9l s THR 115 CO -0.04 0.55 -0.14 -0.76 -0.69 0.00 0.00 174.62 173.54 1b9l s LEU 116 N 0.25 2.18 0.29 4.42 1.43 0.10 -4.98 118.68 122.36 1b9l s LEU 116 Ca -0.14 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.50 1b9l s LEU 116 Cb -0.17 -0.61 -0.05 0.00 0.03 0.00 0.00 46.19 45.39 1b9l s LEU 116 CO 0.07 0.03 0.09 -0.94 0.23 0.00 0.00 176.35 175.83 1b9l s SER 117 N -1.22 1.62 -0.09 2.29 1.04 -1.26 -0.71 113.70 115.37 1b9l s SER 117 Ca 0.01 -1.40 -0.07 0.00 0.48 0.00 0.00 55.95 54.98 1b9l s SER 117 Cb -0.08 0.10 0.03 0.00 0.10 0.00 0.00 66.02 66.17 1b9l s SER 117 CO 0.01 -0.70 0.23 0.86 0.98 0.00 0.00 173.24 174.62 1b9l s TRP 118 N -3.59 -0.27 0.34 5.02 -0.00 0.67 -4.98 118.94 116.13 1b9l s TRP 118 Ca 0.37 0.66 0.08 0.00 -0.00 0.00 0.00 56.10 57.22 1b9l s TRP 118 Cb 0.08 0.07 -0.04 0.00 -0.00 0.00 0.00 33.47 33.58 1b9l s TRP 118 CO 0.14 -0.15 0.10 -0.65 -0.00 0.00 0.00 176.95 176.39 1b9l s GLN 119 N 0.44 2.30 0.00 5.86 -1.52 -1.26 -1.71 119.66 123.77 1b9l s GLN 119 Ca -0.03 -1.59 0.00 0.00 -1.95 0.00 0.00 55.36 51.80 1b9l s GLN 119 Cb -0.04 -2.12 0.00 0.00 -0.22 0.00 0.00 33.01 30.63 1b9l s GLN 119 CO -0.02 0.13 0.00 0.54 -0.25 0.00 0.00 175.29 175.69