#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsb s PRO 2 N 0.00 4.53 0.51 1.61 0.04 -1.26 -4.93 135.00 135.50 1xsb s PRO 2 Ca 0.00 1.90 0.30 0.00 0.04 0.00 0.00 61.00 63.24 1xsb s PRO 2 Cb 0.00 -3.19 1.10 0.00 0.04 0.00 0.00 34.50 32.44 1xsb s PRO 2 CO 0.00 0.02 1.89 -0.07 0.04 0.00 0.00 177.00 178.87 1xsb h LEU 3 N 4.38 0.00 -1.99 -3.56 -0.00 -2.04 -2.98 115.31 109.12 1xsb h LEU 3 Ca -0.46 0.00 0.18 0.00 -0.00 0.00 0.00 57.88 57.60 1xsb h LEU 3 Cb 1.21 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.85 1xsb h LEU 3 CO 0.70 0.05 0.49 1.23 -0.00 0.00 0.00 178.44 180.91 1xsb h GLY 4 N 2.39 0.00 -1.53 0.83 0.00 -2.02 -3.41 103.07 99.33 1xsb h GLY 4 Ca -0.00 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 46.81 1xsb h GLY 4 CO 0.01 0.00 0.33 -1.35 0.00 0.00 0.00 176.54 175.52 1xsb s SER 5 N -5.72 3.97 -0.14 0.19 1.04 -1.13 -5.00 113.70 106.91 1xsb s SER 5 Ca -0.05 2.18 -0.09 0.00 0.48 0.00 0.00 55.95 58.47 1xsb s SER 5 Cb 0.19 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.70 1xsb s SER 5 CO 0.69 -2.40 0.16 -0.32 0.98 0.00 0.00 173.24 172.34 1xsb s MET 6 N -4.32 3.73 0.26 4.02 1.75 -1.26 -4.97 119.30 118.51 1xsb s MET 6 Ca 0.69 -0.12 0.00 0.00 -1.25 0.00 0.00 55.69 55.01 1xsb s MET 6 Cb -0.24 -3.27 0.00 0.00 2.84 0.00 0.00 34.83 34.16 1xsb s MET 6 CO 0.50 0.61 0.00 0.00 -0.65 0.00 0.00 175.02 175.48 1xsb n ALA 7 N 2.50 -2.99 -2.85 4.11 0.00 -1.26 -4.78 120.51 115.24 1xsb n ALA 7 Ca -0.18 0.38 -0.37 0.00 0.00 0.00 0.00 53.44 53.27 1xsb n ALA 7 Cb 0.54 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.90 1xsb n ALA 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xsb s LEU 8 N -5.27 4.27 0.11 0.00 1.02 -0.55 -4.99 118.68 113.26 1xsb s LEU 8 Ca 0.00 0.42 -0.24 0.00 0.02 0.00 0.00 54.13 54.33 1xsb s LEU 8 Cb 0.00 -2.03 -0.07 0.00 0.02 0.00 0.00 46.19 44.11 1xsb s LEU 8 CO 0.00 0.40 0.74 -0.60 0.02 0.00 0.00 176.35 176.91 1xsb s ARG 9 N -0.99 4.49 0.09 1.70 3.52 -1.26 -2.05 118.95 124.44 1xsb s ARG 9 Ca 0.15 1.05 -0.06 0.00 -0.13 0.00 0.00 55.73 56.74 1xsb s ARG 9 Cb -0.12 -3.29 -0.01 0.00 -1.56 0.00 0.00 34.95 29.97 1xsb s ARG 9 CO 0.04 0.49 0.14 0.00 -0.81 0.00 0.00 175.30 175.16 1xsb s ALA 10 N -0.80 0.05 -0.17 6.12 0.00 -0.21 -3.67 121.76 123.08 1xsb s ALA 10 Ca 0.35 -0.84 -0.07 0.00 0.00 0.00 0.00 51.96 51.40 1xsb s ALA 10 Cb -0.22 0.51 0.07 0.00 0.00 0.00 0.00 23.12 23.48 1xsb s ALA 10 CO 0.24 -0.49 0.38 0.00 0.00 0.00 0.00 175.76 175.89 1xsb s GLY 12 N 2.08 2.78 -0.15 0.00 0.00 -0.98 -1.94 107.32 109.10 1xsb s GLY 12 Ca -0.05 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.77 1xsb s GLY 12 CO -0.12 -1.98 -0.11 1.08 0.00 0.00 0.00 173.10 171.98 1xsb s LEU 13 N -3.72 1.70 -0.61 0.66 1.43 -0.80 -3.95 118.68 113.39 1xsb s LEU 13 Ca 0.17 -0.56 -0.25 0.00 -1.03 0.00 0.00 54.13 52.45 1xsb s LEU 13 Cb 0.02 -1.08 0.04 0.00 0.03 0.00 0.00 46.19 45.21 1xsb s LEU 13 CO 0.10 -0.11 1.04 -0.63 0.23 0.00 0.00 176.35 176.98 1xsb s ILE 14 N 1.54 4.21 -0.01 -0.59 1.01 -0.79 -4.30 121.20 122.26 1xsb s ILE 14 Ca 0.03 0.28 -0.16 0.00 0.00 0.00 0.00 60.65 60.80 1xsb s ILE 14 Cb -0.14 -4.66 -0.06 0.00 0.01 0.00 0.00 42.46 37.62 1xsb s ILE 14 CO -0.09 -1.34 0.44 -0.63 0.00 0.00 0.00 174.94 173.32 1xsb s ILE 15 N 4.42 5.02 -0.07 2.92 1.01 -1.26 0.06 121.20 133.31 1xsb s ILE 15 Ca 0.32 0.90 -0.01 0.00 0.00 0.00 0.00 60.65 61.86 1xsb s ILE 15 Cb -0.12 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.63 1xsb s ILE 15 CO 0.18 0.53 -0.02 0.72 0.00 0.00 0.00 174.94 176.35 1xsb s PHE 16 N -0.77 0.76 -0.37 3.97 -0.71 1.39 -1.88 117.98 120.37 1xsb s PHE 16 Ca 0.25 -0.23 -0.25 0.00 -1.04 0.00 0.00 56.93 55.66 1xsb s PHE 16 Cb -0.17 -0.80 0.01 0.00 -1.21 0.00 0.00 43.02 40.85 1xsb s PHE 16 CO 0.13 -0.31 0.86 0.50 -1.34 0.00 0.00 175.22 175.06 1xsb s ARG 17 N 1.68 3.78 -0.02 1.99 3.52 0.32 -3.88 118.95 126.33 1xsb s ARG 17 Ca 0.01 0.43 -0.14 0.00 -0.13 0.00 0.00 55.73 55.90 1xsb s ARG 17 Cb -0.13 -3.82 -0.05 0.00 -1.56 0.00 0.00 34.95 29.39 1xsb s ARG 17 CO -0.04 -0.92 0.37 0.50 -0.81 0.00 0.00 175.30 174.40 1xsb s ARG 18 N 3.32 3.88 -0.08 5.12 3.52 -1.26 -2.29 118.95 131.16 1xsb s ARG 18 Ca 0.35 0.34 -0.05 0.00 -0.13 0.00 0.00 55.73 56.24 1xsb s ARG 18 Cb -0.12 -3.23 -0.04 0.00 -1.56 0.00 0.00 34.95 30.00 1xsb s ARG 18 CO 0.18 0.67 0.12 0.00 -0.81 0.00 0.00 175.30 175.46 1xsb h LEU 20 N 4.72 0.66 -7.58 0.00 5.85 -1.98 -3.43 115.31 113.55 1xsb h LEU 20 Ca -0.53 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.16 1xsb h LEU 20 Cb 1.21 -0.06 -0.18 0.00 0.37 0.00 0.00 40.66 42.01 1xsb h LEU 20 CO 0.60 0.34 -0.28 0.27 -0.34 0.00 0.00 178.44 179.02 1xsb s ILE 21 N -6.00 0.08 0.78 4.05 -0.00 -1.26 -5.00 121.20 113.86 1xsb s ILE 21 Ca -0.12 -0.67 -0.12 0.00 -0.00 0.00 0.00 60.65 59.73 1xsb s ILE 21 Cb 0.21 -0.85 0.07 0.00 -0.00 0.00 0.00 42.46 41.88 1xsb s ILE 21 CO 0.78 -0.37 1.15 -2.84 -0.00 0.00 0.00 174.94 173.66 1xsb s PRO 22 N -2.27 1.93 0.00 0.37 0.02 -1.26 -5.00 135.00 128.79 1xsb s PRO 22 Ca -0.07 1.50 0.00 0.00 0.02 0.00 0.00 61.00 62.45 1xsb s PRO 22 Cb -0.02 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1xsb s PRO 22 CO -0.02 -1.94 0.00 1.63 -0.33 0.00 0.00 177.00 176.35 1xsb n LYS 23 N -3.32 0.00 0.00 5.54 5.02 -1.26 -4.81 118.16 119.33 1xsb n LYS 23 Ca 0.11 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.46 1xsb n LYS 23 Cb 0.52 0.00 0.27 0.00 -0.02 0.00 0.00 35.03 35.80 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xsb n VAL 24 N -0.92 0.63 -3.57 -0.18 0.31 -1.26 -4.82 118.33 108.52 1xsb n VAL 24 Ca 0.00 0.16 -0.22 0.00 -0.01 0.00 0.00 64.34 64.27 1xsb n VAL 24 Cb 0.00 -0.99 0.08 0.00 -0.91 0.00 0.00 33.84 32.02 1xsb n VAL 24 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xsb n ASP 25 N -1.24 -4.88 0.00 4.52 10.43 -1.26 -4.92 116.55 119.20 1xsb n ASP 25 Ca 0.05 -0.59 0.00 0.00 2.57 0.00 0.00 54.79 56.83 1xsb n ASP 25 Cb 0.08 -4.97 0.00 0.00 1.84 0.00 0.00 41.12 38.07 1xsb n ASP 25 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1xsb n ASN 26 N -3.04 0.00 -4.22 -2.24 5.15 -1.26 -5.02 115.26 104.63 1xsb n ASN 26 Ca -0.09 0.00 -0.38 0.00 -0.60 0.00 0.00 54.58 53.51 1xsb n ASN 26 Cb 0.59 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.73 1xsb n ASN 26 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1xsb s ASN 27 N 1.00 5.38 0.21 1.20 0.01 -1.26 -4.94 114.94 116.54 1xsb s ASN 27 Ca 0.00 -1.56 -0.03 0.00 -0.71 0.00 0.00 52.86 50.56 1xsb s ASN 27 Cb 0.00 -1.89 0.18 0.00 0.41 0.00 0.00 41.25 39.96 1xsb s ASN 27 CO 0.00 -0.47 1.58 0.00 -1.51 0.00 0.00 177.10 176.70 1xsb h ALA 28 N 8.23 0.82 -4.18 0.60 0.00 -1.96 -3.43 119.26 119.33 1xsb h ALA 28 Ca -0.20 -0.44 -0.69 0.00 0.00 0.00 0.00 54.91 53.58 1xsb h ALA 28 Cb 1.07 -0.11 -0.25 0.00 0.00 0.00 0.00 17.79 18.50 1xsb h ALA 28 CO 0.69 0.65 -0.80 0.42 0.00 0.00 0.00 179.25 180.20 1xsb s ILE 29 N -4.27 2.79 0.16 0.00 1.01 -1.26 -3.47 121.20 116.17 1xsb s ILE 29 Ca -0.08 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 59.83 1xsb s ILE 29 Cb 0.12 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 1xsb s ILE 29 CO 0.83 0.59 -0.21 -1.61 0.00 0.00 0.00 174.94 174.54 1xsb s GLU 30 N -0.71 1.31 0.18 2.79 2.02 -0.97 -4.12 118.70 119.21 1xsb s GLU 30 Ca 0.11 -1.38 0.10 0.00 0.02 0.00 0.00 54.97 53.82 1xsb s GLU 30 Cb -0.10 -1.49 -0.04 0.00 0.10 0.00 0.00 34.13 32.59 1xsb s GLU 30 CO 0.00 0.32 -0.18 -0.06 0.02 0.00 0.00 175.26 175.36 1xsb s PHE 31 N -1.73 2.44 -0.10 1.61 0.08 -0.48 0.12 117.98 119.91 1xsb s PHE 31 Ca 0.15 -0.30 -0.23 0.00 0.12 0.00 0.00 56.93 56.67 1xsb s PHE 31 Cb -0.07 -1.21 -0.03 0.00 -0.57 0.00 0.00 43.02 41.13 1xsb s PHE 31 CO 0.07 0.49 0.71 -1.17 -0.10 0.00 0.00 175.22 175.22 1xsb s LEU 32 N -2.69 4.27 -0.06 -0.37 2.96 -0.79 -3.63 118.68 118.37 1xsb s LEU 32 Ca 0.22 1.13 0.03 0.00 -0.22 0.00 0.00 54.13 55.29 1xsb s LEU 32 Cb -0.08 -3.07 0.00 0.00 0.50 0.00 0.00 46.19 43.54 1xsb s LEU 32 CO 0.12 -0.18 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.06 1xsb s LEU 33 N 1.18 1.80 -0.07 -0.68 1.43 -1.13 -4.58 118.68 116.63 1xsb s LEU 33 Ca 0.36 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.11 1xsb s LEU 33 Cb -0.17 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 45.10 1xsb s LEU 33 CO 0.16 0.09 0.01 -0.76 0.23 0.00 0.00 176.35 176.09 1xsb s LEU 34 N 0.36 3.64 0.44 1.79 1.43 -0.83 -1.80 118.68 123.72 1xsb s LEU 34 Ca -0.10 0.15 -0.21 0.00 -1.03 0.00 0.00 54.13 52.94 1xsb s LEU 34 Cb -0.14 -1.88 -0.10 0.00 0.03 0.00 0.00 46.19 44.10 1xsb s LEU 34 CO 0.03 0.36 0.98 -1.58 0.23 0.00 0.00 176.35 176.38 1xsb s GLN 35 N -1.02 4.11 0.00 1.70 2.00 0.69 -1.80 119.66 125.35 1xsb s GLN 35 Ca 0.15 1.21 0.18 0.00 -2.00 0.00 0.00 55.36 54.90 1xsb s GLN 35 Cb -0.11 -2.19 0.88 0.00 0.80 0.00 0.00 33.01 32.39 1xsb s GLN 35 CO 0.04 -0.14 1.55 0.00 -0.50 0.00 0.00 175.29 176.24 1xsb n ALA 36 N -0.68 1.94 0.00 1.58 0.00 -0.36 -3.14 120.51 119.85 1xsb n ALA 36 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1xsb n ALA 36 Cb 0.53 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1xsb n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xsb n SER 37 N -1.33 0.00 -4.62 0.00 3.41 -1.24 -4.57 113.62 105.26 1xsb n SER 37 Ca 0.08 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.40 1xsb n SER 37 Cb 0.16 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 1xsb n SER 37 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xsb s ASP 38 N 0.00 3.83 0.00 4.04 -0.00 -1.26 -4.83 116.67 118.45 1xsb s ASP 38 Ca 0.00 -1.40 0.00 0.00 -0.00 0.00 0.00 52.55 51.15 1xsb s ASP 38 Cb 0.00 -0.29 0.00 0.00 -0.00 0.00 0.00 42.92 42.63 1xsb s ASP 38 CO 0.00 -0.50 0.00 0.61 -0.00 0.00 0.00 175.17 175.28 1xsb n GLY 39 N -0.99 -0.15 0.00 0.21 0.00 -1.26 -3.45 105.19 99.56 1xsb n GLY 39 Ca -0.06 -1.20 0.04 0.00 0.00 0.00 0.00 46.02 44.79 1xsb n GLY 39 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1xsb n ILE 40 N 0.00 0.99 -3.57 -0.61 3.06 -1.26 -4.83 119.36 113.14 1xsb n ILE 40 Ca 0.00 0.25 -0.20 0.00 -2.50 0.00 0.00 62.75 60.29 1xsb n ILE 40 Cb 0.00 -1.12 0.07 0.00 0.54 0.00 0.00 39.64 39.12 1xsb n ILE 40 CO 0.00 0.00 0.00 1.41 -2.50 0.00 0.00 176.55 175.46 1xsb n HIS 41 N -1.33 -2.24 -2.38 9.51 8.25 -1.22 -4.98 115.22 120.83 1xsb n HIS 41 Ca 0.03 0.92 -0.24 0.00 -0.26 0.00 0.00 57.72 58.18 1xsb n HIS 41 Cb 0.06 -4.81 0.06 0.00 1.12 0.00 0.00 29.99 26.42 1xsb n HIS 41 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1xsb s HIS 42 N -3.43 2.87 -0.17 4.41 -0.00 -1.26 -4.60 115.29 113.11 1xsb s HIS 42 Ca 0.15 0.25 -0.07 0.00 -0.00 0.00 0.00 55.06 55.39 1xsb s HIS 42 Cb -0.07 -3.02 -0.04 0.00 -0.00 0.00 0.00 32.58 29.45 1xsb s HIS 42 CO 0.76 -1.21 0.07 -1.58 -0.00 0.00 0.00 174.74 172.78 1xsb s TRP 43 N -3.06 3.29 -0.06 0.38 0.52 -1.26 -1.22 118.94 117.54 1xsb s TRP 43 Ca 0.59 0.15 -0.21 0.00 0.02 0.00 0.00 56.10 56.65 1xsb s TRP 43 Cb -0.10 -2.04 0.04 0.00 -1.15 0.00 0.00 33.47 30.22 1xsb s TRP 43 CO 0.42 0.25 0.48 0.95 0.02 0.00 0.00 176.95 179.08 1xsb s THR 44 N 0.10 0.03 0.72 2.01 -4.23 -0.75 -4.47 115.64 109.05 1xsb s THR 44 Ca 0.05 -0.22 -0.13 0.00 -1.18 0.00 0.00 61.69 60.21 1xsb s THR 44 Cb -0.12 -0.77 0.03 0.00 1.34 0.00 0.00 72.50 72.98 1xsb s THR 44 CO 0.01 -0.12 1.12 -2.16 -0.54 0.00 0.00 174.62 172.92 1xsb s PRO 45 N -1.02 2.42 -0.34 3.99 0.04 -1.26 -1.96 135.00 136.86 1xsb s PRO 45 Ca -0.10 1.39 -0.40 0.00 0.04 0.00 0.00 61.00 61.93 1xsb s PRO 45 Cb -0.03 -1.90 -0.15 0.00 0.04 0.00 0.00 34.50 32.45 1xsb s PRO 45 CO 0.06 -1.55 1.90 -2.30 0.04 0.00 0.00 177.00 175.15 1xsb n PRO 46 N -2.90 0.89 -4.89 0.56 -0.02 -1.26 -4.82 135.00 122.56 1xsb n PRO 46 Ca 0.11 0.30 -0.31 0.00 -2.02 0.00 0.00 63.50 61.57 1xsb n PRO 46 Cb 0.52 -2.07 -0.14 0.00 -0.02 0.00 0.00 33.50 31.80 1xsb n PRO 46 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1xsb s LYS 47 N 4.53 2.19 0.22 -0.52 1.02 -1.26 -1.90 119.74 124.01 1xsb s LYS 47 Ca 1.05 -0.89 -0.05 0.00 0.02 0.00 0.00 55.97 56.09 1xsb s LYS 47 Cb -1.11 -2.20 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 1xsb s LYS 47 CO 0.63 0.57 0.26 0.20 -0.92 0.00 0.00 175.35 176.08 1xsb s GLY 48 N -1.02 1.15 -0.13 -3.33 0.00 -0.82 -4.95 107.32 98.21 1xsb s GLY 48 Ca 0.12 -1.42 -0.04 0.00 0.00 0.00 0.00 44.72 43.38 1xsb s GLY 48 CO 0.02 -1.13 0.03 0.30 0.00 0.00 0.00 173.10 172.32 1xsb s HIS 49 N -4.08 3.21 -0.08 1.90 3.76 -1.26 -1.31 115.29 117.44 1xsb s HIS 49 Ca 0.33 0.12 -0.20 0.00 -0.15 0.00 0.00 55.06 55.17 1xsb s HIS 49 Cb 0.04 -1.91 -0.04 0.00 1.11 0.00 0.00 32.58 31.77 1xsb s HIS 49 CO 0.11 0.33 0.55 0.54 -0.85 0.00 0.00 174.74 175.43 1xsb s VAL 50 N -0.35 5.10 0.56 -0.90 0.11 -1.24 -4.89 120.40 118.78 1xsb s VAL 50 Ca 0.08 1.13 -0.09 0.00 -2.93 0.00 0.00 61.98 60.16 1xsb s VAL 50 Cb -0.12 -3.89 0.14 0.00 -1.53 0.00 0.00 36.38 30.98 1xsb s VAL 50 CO 0.02 0.33 0.52 1.21 -3.33 0.00 0.00 175.10 173.86 1xsb n GLU 51 N 3.47 -1.83 0.01 1.54 4.07 -1.26 -4.90 120.64 121.73 1xsb n GLU 51 Ca -0.06 -0.83 -0.00 0.00 -0.06 0.00 0.00 57.16 56.20 1xsb n GLU 51 Cb 0.51 -0.75 -0.00 0.00 -0.06 0.00 0.00 31.44 31.14 1xsb n GLU 51 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1xsb h PRO 52 N 0.00 -0.03 -0.45 5.31 0.13 -1.98 -3.25 132.00 131.72 1xsb h PRO 52 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 1xsb h PRO 52 Cb 0.58 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.72 1xsb h PRO 52 CO 0.13 -0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.29 1xsb n GLY 53 N 0.82 0.22 3.85 1.56 0.00 -1.26 -4.80 105.19 105.58 1xsb n GLY 53 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1xsb n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsb s GLU 54 N -1.50 3.99 0.80 1.61 2.12 -1.23 -5.05 118.70 119.43 1xsb s GLU 54 Ca 0.00 0.59 -0.11 0.00 0.36 0.00 0.00 54.97 55.81 1xsb s GLU 54 Cb 0.00 -2.58 0.07 0.00 0.26 0.00 0.00 34.13 31.88 1xsb s GLU 54 CO 0.00 0.25 1.09 0.34 -0.54 0.00 0.00 175.26 176.40 1xsb s ASP 55 N -2.16 4.32 -0.05 -1.70 2.15 -1.26 -4.73 116.67 113.24 1xsb s ASP 55 Ca 0.50 1.68 -0.06 0.00 0.43 0.00 0.00 52.55 55.09 1xsb s ASP 55 Cb -0.12 -2.39 -0.03 0.00 -0.30 0.00 0.00 42.92 40.08 1xsb s ASP 55 CO 0.19 -2.13 0.31 0.44 -0.17 0.00 0.00 175.17 173.80 1xsb h ASP 56 N -1.20 -0.19 -0.63 -0.34 3.32 -1.96 -3.02 116.42 112.41 1xsb h ASP 56 Ca -0.45 0.01 -0.06 0.00 0.02 0.00 0.00 57.03 56.54 1xsb h ASP 56 Cb 1.25 0.05 -0.03 0.00 0.22 0.00 0.00 39.33 40.82 1xsb h ASP 56 CO 0.53 0.16 0.15 0.25 -1.72 0.00 0.00 179.24 178.62 1xsb h LEU 57 N -0.81 0.96 -0.87 1.55 5.85 -1.97 -2.72 115.31 117.30 1xsb h LEU 57 Ca -0.02 -0.23 0.16 0.00 0.84 0.00 0.00 57.88 58.62 1xsb h LEU 57 Cb 0.17 -0.25 -0.10 0.00 0.37 0.00 0.00 40.66 40.85 1xsb h LEU 57 CO 0.04 0.95 0.45 -0.08 -0.34 0.00 0.00 178.44 179.46 1xsb h GLU 58 N 0.93 0.61 -0.76 1.25 4.81 -1.97 0.61 114.58 120.06 1xsb h GLU 58 Ca 0.20 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1xsb h GLU 58 Cb 0.36 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.55 1xsb h GLU 58 CO 0.00 0.40 0.47 1.15 -0.73 0.00 0.00 179.01 180.31 1xsb h THR 59 N 0.63 1.07 -0.57 0.32 2.02 -1.34 0.79 112.91 115.82 1xsb h THR 59 Ca 0.48 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 67.28 1xsb h THR 59 Cb 0.70 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 1xsb h THR 59 CO -0.37 0.16 0.09 0.00 0.37 0.00 0.00 175.52 175.77 1xsb h ALA 60 N 1.34 0.76 0.17 6.16 0.00 -0.11 0.40 119.26 127.98 1xsb h ALA 60 Ca 0.32 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1xsb h ALA 60 Cb 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xsb h ALA 60 CO -0.14 0.51 -0.08 -0.07 0.00 0.00 0.00 179.25 179.47 1xsb h LEU 61 N 0.84 -0.19 -0.51 0.00 3.38 0.18 0.90 115.31 119.90 1xsb h LEU 61 Ca 0.17 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1xsb h LEU 61 Cb 0.42 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1xsb h LEU 61 CO 0.01 -0.09 0.20 -0.09 0.09 0.00 0.00 178.44 178.56 1xsb h ARG 62 N -0.28 0.76 -0.34 1.13 2.43 0.66 -2.41 114.38 116.33 1xsb h ARG 62 Ca -0.02 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 58.92 1xsb h ARG 62 Cb 0.22 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.63 1xsb h ARG 62 CO 0.04 0.68 -0.16 0.00 -1.51 0.00 0.00 179.97 179.02 1xsb h ALA 63 N 1.04 1.09 -0.60 2.80 0.00 0.04 0.76 119.26 124.40 1xsb h ALA 63 Ca 0.17 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1xsb h ALA 63 Cb 0.21 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1xsb h ALA 63 CO -0.01 0.56 0.32 1.15 0.00 0.00 0.00 179.25 181.27 1xsb h THR 64 N 0.56 0.96 0.18 0.00 2.02 0.13 0.27 112.91 117.02 1xsb h THR 64 Ca 0.09 -0.21 -0.24 0.00 0.77 0.00 0.00 66.41 66.83 1xsb h THR 64 Cb 0.59 0.31 0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1xsb h THR 64 CO 0.04 0.11 -1.05 -0.61 0.37 0.00 0.00 175.52 174.38 1xsb h GLN 65 N 0.60 0.39 -0.84 6.66 4.15 -0.72 0.50 115.11 125.85 1xsb h GLN 65 Ca 0.26 -0.66 -0.00 0.00 0.77 0.00 0.00 58.65 59.02 1xsb h GLN 65 Cb 0.16 0.25 -0.04 0.00 0.21 0.00 0.00 27.48 28.05 1xsb h GLN 65 CO -0.17 1.32 0.51 0.93 -1.93 0.00 0.00 178.83 179.48 1xsb h GLU 66 N -0.18 1.13 0.00 1.69 5.08 -0.65 3.43 114.58 125.09 1xsb h GLU 66 Ca -0.18 -0.10 -0.27 0.00 -1.00 0.00 0.00 59.36 57.81 1xsb h GLU 66 Cb 1.83 -0.24 -0.05 0.00 0.50 0.00 0.00 28.75 30.79 1xsb h GLU 66 CO 0.20 0.79 -1.81 0.39 -1.00 0.00 0.00 179.01 177.58 1xsb n GLU 67 N -4.37 0.64 -0.00 2.33 -0.58 0.92 -4.34 120.64 115.24 1xsb n GLU 67 Ca 0.09 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 57.02 1xsb n GLU 67 Cb 0.06 -1.72 -0.01 0.00 -0.57 0.00 0.00 31.44 29.20 1xsb n GLU 67 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsb n ALA 68 N -2.55 2.00 -0.27 0.62 0.00 0.17 -3.65 120.51 116.83 1xsb n ALA 68 Ca -0.18 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1xsb n ALA 68 Cb 1.00 0.11 0.00 0.00 0.00 0.00 0.00 19.45 20.56 1xsb n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsb n GLY 69 N 2.71 0.76 3.59 0.00 0.00 1.14 0.53 105.19 113.92 1xsb n GLY 69 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1xsb n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsb s ILE 70 N -2.61 4.66 0.41 -0.61 1.01 -1.19 -4.74 121.20 118.13 1xsb s ILE 70 Ca 0.00 -0.07 0.07 0.00 0.00 0.00 0.00 60.65 60.65 1xsb s ILE 70 Cb 0.00 -3.12 -0.06 0.00 0.01 0.00 0.00 42.46 39.29 1xsb s ILE 70 CO 0.00 0.43 0.12 -1.83 0.00 0.00 0.00 174.94 173.66 1xsb s GLU 71 N 0.66 2.14 0.37 2.79 -1.05 -1.26 -1.13 118.70 121.22 1xsb s GLU 71 Ca 0.03 -1.91 0.17 0.00 -0.15 0.00 0.00 54.97 53.11 1xsb s GLU 71 Cb -0.13 -1.88 1.10 0.00 -0.44 0.00 0.00 34.13 32.77 1xsb s GLU 71 CO 0.02 -0.08 1.71 0.00 0.95 0.00 0.00 175.26 177.85 1xsb h ALA 72 N 1.54 2.14 -0.03 -0.84 0.00 -1.85 2.57 119.26 122.80 1xsb h ALA 72 Ca -0.43 0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1xsb h ALA 72 Cb 1.25 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1xsb h ALA 72 CO 0.73 -0.65 0.03 0.78 0.00 0.00 0.00 179.25 180.14 1xsb h GLY 73 N 0.37 0.00 -0.63 0.00 0.00 -1.98 -1.10 103.07 99.74 1xsb h GLY 73 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.00 1xsb h GLY 73 CO -0.43 0.00 -0.66 -1.06 0.00 0.00 0.00 176.54 174.39 1xsb n GLN 74 N -4.06 0.84 -3.69 4.80 6.02 0.85 -4.99 117.38 117.14 1xsb n GLN 74 Ca -0.02 -0.63 -0.17 0.00 -0.01 0.00 0.00 57.00 56.17 1xsb n GLN 74 Cb 0.12 -1.47 -0.05 0.00 1.02 0.00 0.00 30.24 29.85 1xsb n GLN 74 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1xsb n LEU 75 N -0.56 0.00 -3.84 1.08 -0.00 -0.15 -1.55 117.00 111.98 1xsb n LEU 75 Ca 0.07 -2.24 -0.29 0.00 -0.00 0.00 0.00 56.01 53.55 1xsb n LEU 75 Cb 0.41 0.84 -0.16 0.00 -0.00 0.00 0.00 43.42 44.52 1xsb n LEU 75 CO 0.33 -0.35 -0.38 -0.89 -0.00 0.00 0.00 177.39 176.10 1xsb s THR 76 N -2.72 1.14 0.02 1.47 2.01 0.11 -4.75 115.64 112.92 1xsb s THR 76 Ca 0.18 -1.14 -0.30 0.00 0.31 0.00 0.00 61.69 60.74 1xsb s THR 76 Cb 0.01 -1.60 -0.05 0.00 0.01 0.00 0.00 72.50 70.87 1xsb s THR 76 CO 0.13 -0.29 1.19 -0.63 -0.69 0.00 0.00 174.62 174.32 1xsb s ILE 77 N 1.55 4.16 0.08 1.82 -1.09 -1.26 -2.23 121.20 124.23 1xsb s ILE 77 Ca 0.00 1.54 -0.22 0.00 -2.23 0.00 0.00 60.65 59.74 1xsb s ILE 77 Cb -0.18 -3.99 -0.07 0.00 -1.58 0.00 0.00 42.46 36.65 1xsb s ILE 77 CO -0.11 0.08 0.66 -0.63 -1.23 0.00 0.00 174.94 173.71 1xsb s ILE 78 N 1.41 4.67 0.09 2.92 1.09 0.11 -4.98 121.20 126.52 1xsb s ILE 78 Ca 0.57 1.41 0.01 0.00 -1.10 0.00 0.00 60.65 61.54 1xsb s ILE 78 Cb -0.27 -4.00 -0.04 0.00 -1.06 0.00 0.00 42.46 37.09 1xsb s ILE 78 CO 0.27 0.49 0.24 -1.61 -0.10 0.00 0.00 174.94 174.24 1xsb s GLU 79 N -0.80 3.45 0.00 2.79 2.02 -1.26 -4.35 118.70 120.55 1xsb s GLU 79 Ca 0.32 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.85 1xsb s GLU 79 Cb -0.20 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.02 1xsb s GLU 79 CO 0.21 0.57 0.00 0.41 0.02 0.00 0.00 175.26 176.47 1xsb n GLY 80 N 0.02 3.23 3.46 -1.39 0.00 -1.26 -5.04 105.19 104.20 1xsb n GLY 80 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 1xsb n GLY 80 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1xsb s PHE 81 N -2.80 2.98 -0.24 1.61 2.19 -1.26 -5.09 117.98 115.37 1xsb s PHE 81 Ca 0.00 -0.42 -0.14 0.00 0.33 0.00 0.00 56.93 56.70 1xsb s PHE 81 Cb 0.00 -1.96 0.07 0.00 -1.31 0.00 0.00 43.02 39.82 1xsb s PHE 81 CO 0.00 -0.13 0.60 0.21 1.83 0.00 0.00 175.22 177.73 1xsb s LYS 82 N 0.51 0.61 -0.27 10.12 2.20 -1.26 -4.70 119.74 126.95 1xsb s LYS 82 Ca -0.04 1.09 -0.25 0.00 -0.36 0.00 0.00 55.97 56.41 1xsb s LYS 82 Cb -0.15 0.09 0.07 0.00 -1.51 0.00 0.00 37.83 36.34 1xsb s LYS 82 CO 0.03 -0.15 0.73 0.50 -0.36 0.00 0.00 175.35 176.10 1xsb s ARG 83 N 1.55 0.83 -0.00 4.03 3.52 -1.25 -5.02 118.95 122.60 1xsb s ARG 83 Ca -0.10 0.98 0.08 0.00 -0.13 0.00 0.00 55.73 56.56 1xsb s ARG 83 Cb -0.06 0.40 -0.02 0.00 -1.56 0.00 0.00 34.95 33.71 1xsb s ARG 83 CO -0.17 -0.10 -0.25 -1.83 -0.81 0.00 0.00 175.30 172.13 1xsb s GLU 84 N 0.37 2.04 -0.29 5.12 1.03 -1.25 -1.10 118.70 124.62 1xsb s GLU 84 Ca 0.00 -0.97 -0.14 0.00 0.03 0.00 0.00 54.97 53.89 1xsb s GLU 84 Cb -0.05 -2.04 -0.04 0.00 -0.80 0.00 0.00 34.13 31.20 1xsb s GLU 84 CO 0.01 0.55 0.31 -0.51 -1.33 0.00 0.00 175.26 174.29 1xsb s LEU 85 N -0.82 4.13 -0.13 1.83 1.43 0.22 -4.72 118.68 120.61 1xsb s LEU 85 Ca 0.11 0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 1xsb s LEU 85 Cb -0.10 -2.31 0.00 0.00 0.03 0.00 0.00 46.19 43.81 1xsb s LEU 85 CO 0.00 -0.18 -0.19 0.20 0.23 0.00 0.00 176.35 176.42 1xsb s ASN 86 N 1.70 3.42 -0.10 2.29 0.02 -1.26 -0.96 114.94 120.06 1xsb s ASN 86 Ca 0.12 -0.51 -0.30 0.00 -1.02 0.00 0.00 52.86 51.15 1xsb s ASN 86 Cb -0.16 -1.50 0.10 0.00 0.02 0.00 0.00 41.25 39.71 1xsb s ASN 86 CO 0.11 0.11 0.86 -0.72 0.02 0.00 0.00 177.10 177.48 1xsb s TYR 87 N 0.64 -0.48 -0.37 2.20 -0.85 -1.21 -4.90 117.35 112.38 1xsb s TYR 87 Ca -0.10 0.78 -0.08 0.00 -0.52 0.00 0.00 57.07 57.16 1xsb s TYR 87 Cb -0.16 0.44 0.05 0.00 0.38 0.00 0.00 41.96 42.67 1xsb s TYR 87 CO 0.02 -0.47 0.17 0.54 -1.52 0.00 0.00 175.55 174.29 1xsb s VAL 88 N -1.35 4.05 0.00 -3.49 0.11 -1.26 -1.61 120.40 116.84 1xsb s VAL 88 Ca -0.05 -1.18 0.00 0.00 -2.93 0.00 0.00 61.98 57.82 1xsb s VAL 88 Cb -0.00 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.49 1xsb s VAL 88 CO 0.04 -0.30 0.00 0.00 -3.33 0.00 0.00 175.10 171.51 1xsb n ALA 89 N 4.87 0.00 0.18 1.54 0.00 -1.25 -4.61 120.51 121.25 1xsb n ALA 89 Ca -0.11 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.18 1xsb n ALA 89 Cb 0.44 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 1xsb n ALA 89 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1xsb h ARG 90 N 0.00 -0.47 0.00 0.00 2.43 -2.05 -3.43 114.38 110.86 1xsb h ARG 90 Ca 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1xsb h ARG 90 Cb 0.00 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 1xsb h ARG 90 CO 0.00 -0.32 0.00 0.09 -1.51 0.00 0.00 179.97 178.23 1xsb n ASN 91 N -5.34 0.00 -3.80 -3.80 5.03 -1.26 -5.13 115.26 100.96 1xsb n ASN 91 Ca -0.09 -0.00 -0.20 0.00 0.87 0.00 0.00 54.58 55.16 1xsb n ASN 91 Cb 0.25 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 38.84 1xsb n ASN 91 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1xsb s LYS 92 N 0.00 0.48 0.07 3.52 2.47 -1.26 -5.07 119.74 119.95 1xsb s LYS 92 Ca 0.00 0.08 -0.30 0.00 -1.56 0.00 0.00 55.97 54.18 1xsb s LYS 92 Cb 0.00 -0.72 -0.05 0.00 -1.46 0.00 0.00 37.83 35.59 1xsb s LYS 92 CO 0.00 -0.20 1.13 -1.25 0.16 0.00 0.00 175.35 175.20 1xsb s PRO 93 N 1.42 4.49 -0.17 4.03 0.04 -1.26 -3.75 135.00 139.81 1xsb s PRO 93 Ca -0.04 1.69 0.01 0.00 0.04 0.00 0.00 61.00 62.69 1xsb s PRO 93 Cb -0.13 -3.36 0.03 0.00 0.04 0.00 0.00 34.50 31.08 1xsb s PRO 93 CO -0.03 -0.15 -0.13 0.21 0.04 0.00 0.00 177.00 176.95 1xsb s LYS 94 N 0.77 2.22 -0.08 4.56 2.20 -0.64 -1.49 119.74 127.28 1xsb s LYS 94 Ca 0.55 -0.68 -0.26 0.00 -0.36 0.00 0.00 55.97 55.22 1xsb s LYS 94 Cb -0.28 -2.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.78 1xsb s LYS 94 CO 0.30 -0.31 0.85 0.99 -0.36 0.00 0.00 175.35 176.82 1xsb s THR 95 N 1.45 4.92 -0.18 3.43 2.01 -0.87 -3.30 115.64 123.09 1xsb s THR 95 Ca 0.03 1.74 0.01 0.00 0.31 0.00 0.00 61.69 63.77 1xsb s THR 95 Cb -0.14 -4.18 0.03 0.00 0.01 0.00 0.00 72.50 68.23 1xsb s THR 95 CO -0.10 0.13 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.15 1xsb s VAL 96 N 1.39 1.71 -0.15 3.82 1.01 -0.13 -1.04 120.40 127.01 1xsb s VAL 96 Ca 0.43 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 61.32 1xsb s VAL 96 Cb -0.18 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.46 1xsb s VAL 96 CO 0.19 0.29 0.41 -0.63 0.00 0.00 0.00 175.10 175.37 1xsb s ILE 97 N 1.39 5.22 -0.12 2.22 -1.09 -1.12 0.72 121.20 128.42 1xsb s ILE 97 Ca 0.01 0.80 0.02 0.00 -2.23 0.00 0.00 60.65 59.24 1xsb s ILE 97 Cb -0.15 -3.75 -0.01 0.00 -1.58 0.00 0.00 42.46 36.97 1xsb s ILE 97 CO -0.09 0.33 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.46 1xsb s TYR 98 N 0.73 2.71 -0.01 3.97 2.02 -0.26 -2.32 117.35 124.19 1xsb s TYR 98 Ca 0.22 -0.79 0.03 0.00 -0.37 0.00 0.00 57.07 56.16 1xsb s TYR 98 Cb -0.14 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.60 1xsb s TYR 98 CO 0.08 -0.28 -0.09 -1.58 -1.57 0.00 0.00 175.55 172.10 1xsb s TRP 99 N 0.32 2.83 0.17 2.71 0.51 -1.25 -3.90 118.94 120.32 1xsb s TRP 99 Ca -0.14 -0.07 -0.30 0.00 -2.12 0.00 0.00 56.10 53.47 1xsb s TRP 99 Cb -0.17 -1.61 -0.07 0.00 -0.81 0.00 0.00 33.47 30.81 1xsb s TRP 99 CO 0.07 0.32 1.04 -0.51 -0.51 0.00 0.00 176.95 177.36 1xsb s LEU 100 N -1.20 4.51 0.08 2.99 1.43 -1.26 -1.88 118.68 123.36 1xsb s LEU 100 Ca 0.15 1.98 0.02 0.00 -1.03 0.00 0.00 54.13 55.26 1xsb s LEU 100 Cb -0.11 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 1xsb s LEU 100 CO 0.05 -0.13 -0.07 0.00 0.23 0.00 0.00 176.35 176.43 1xsb s ALA 101 N -0.29 0.87 -0.10 4.21 0.00 0.11 0.08 121.76 126.64 1xsb s ALA 101 Ca 0.48 -1.14 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 1xsb s ALA 101 Cb -0.27 0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1xsb s ALA 101 CO 0.33 -0.14 -0.06 -2.00 0.00 0.00 0.00 175.76 173.89 1xsb s GLU 102 N -2.98 1.31 0.16 0.00 2.12 -0.95 0.41 118.70 118.77 1xsb s GLU 102 Ca 0.04 -0.18 -0.29 0.00 0.36 0.00 0.00 54.97 54.89 1xsb s GLU 102 Cb -0.01 -1.40 -0.07 0.00 0.26 0.00 0.00 34.13 32.91 1xsb s GLU 102 CO -0.03 -0.24 0.93 0.14 -0.54 0.00 0.00 175.26 175.53 1xsb s VAL 103 N 1.64 4.35 0.30 3.70 -7.23 -1.26 -0.71 120.40 121.18 1xsb s VAL 103 Ca 0.03 2.04 0.02 0.00 -1.81 0.00 0.00 61.98 62.26 1xsb s VAL 103 Cb -0.13 -4.31 0.11 0.00 0.56 0.00 0.00 36.38 32.62 1xsb s VAL 103 CO -0.06 0.40 1.79 0.11 -0.31 0.00 0.00 175.10 177.02 1xsb h LYS 104 N 5.00 0.56 -5.54 4.82 1.79 -1.64 -3.43 116.57 118.13 1xsb h LYS 104 Ca -0.44 -0.16 -0.65 0.00 -2.18 0.00 0.00 60.65 57.22 1xsb h LYS 104 Cb 1.21 -0.06 -0.09 0.00 -1.58 0.00 0.00 32.23 31.70 1xsb h LYS 104 CO 0.70 0.66 -0.49 0.34 -1.08 0.00 0.00 179.45 179.58 1xsb s ASP 105 N -6.75 6.24 0.18 0.86 -1.08 -1.26 -4.98 116.67 109.87 1xsb s ASP 105 Ca -0.08 0.37 -0.09 0.00 -0.52 0.00 0.00 52.55 52.23 1xsb s ASP 105 Cb 0.15 -2.04 0.06 0.00 -1.46 0.00 0.00 42.92 39.63 1xsb s ASP 105 CO 0.79 0.34 1.63 0.22 0.52 0.00 0.00 175.17 178.66 1xsb h TYR 106 N 5.53 1.17 -0.63 -5.34 3.20 -2.01 -2.30 116.97 116.59 1xsb h TYR 106 Ca -0.50 -0.21 -0.06 0.00 3.14 0.00 0.00 58.73 61.09 1xsb h TYR 106 Cb 1.20 -0.30 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 1xsb h TYR 106 CO 0.69 1.04 0.08 -0.25 -1.64 0.00 0.00 178.16 178.09 1xsb n ASP 107 N -4.18 5.51 -3.71 -2.11 10.43 -1.26 -5.01 116.55 116.23 1xsb n ASP 107 Ca 0.03 -3.01 -0.34 0.00 2.57 0.00 0.00 54.79 54.03 1xsb n ASP 107 Cb 0.36 -0.71 0.01 0.00 1.84 0.00 0.00 41.12 42.63 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 1xsb n VAL 108 N 0.41 0.00 -2.08 2.53 3.14 -0.87 -4.77 118.33 116.70 1xsb n VAL 108 Ca 0.32 -0.44 -0.38 0.00 -2.96 0.00 0.00 64.34 60.88 1xsb n VAL 108 Cb 1.26 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 34.04 1xsb n VAL 108 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1xsb s GLU 109 N -0.90 3.73 -0.22 1.45 -1.05 -1.26 -5.01 118.70 115.44 1xsb s GLU 109 Ca 0.49 2.03 0.01 0.00 -0.15 0.00 0.00 54.97 57.36 1xsb s GLU 109 Cb -0.43 -2.53 0.05 0.00 -0.44 0.00 0.00 34.13 30.77 1xsb s GLU 109 CO 0.58 -0.65 -0.11 0.42 0.95 0.00 0.00 175.26 176.45 1xsb s ILE 110 N -1.37 1.82 -0.37 1.83 -1.09 -1.25 -4.44 121.20 116.33 1xsb s ILE 110 Ca 0.62 -1.21 -0.10 0.00 -2.23 0.00 0.00 60.65 57.73 1xsb s ILE 110 Cb -0.35 -1.90 0.03 0.00 -1.58 0.00 0.00 42.46 38.65 1xsb s ILE 110 CO 0.43 0.11 0.19 -0.13 -1.23 0.00 0.00 174.94 174.32 1xsb s ARG 111 N 1.30 2.81 0.00 2.79 0.52 2.07 -4.88 118.95 123.55 1xsb s ARG 111 Ca -0.03 -1.09 -0.07 0.00 -0.52 0.00 0.00 55.73 54.02 1xsb s ARG 111 Cb -0.17 -3.68 -0.05 0.00 0.52 0.00 0.00 34.95 31.57 1xsb s ARG 111 CO -0.08 -0.69 0.26 -0.51 0.02 0.00 0.00 175.30 174.31 1xsb s LEU 112 N 1.53 4.37 0.40 2.53 1.43 -1.24 -1.80 118.68 125.90 1xsb s LEU 112 Ca 0.01 0.55 0.08 0.00 -1.03 0.00 0.00 54.13 53.74 1xsb s LEU 112 Cb -0.19 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.39 1xsb s LEU 112 CO 0.06 0.26 0.53 -0.44 0.23 0.00 0.00 176.35 176.99 1xsb s SER 113 N -1.67 5.67 0.47 2.29 0.01 -1.24 -4.86 113.70 114.38 1xsb s SER 113 Ca 0.27 -0.40 0.32 0.00 1.31 0.00 0.00 55.95 57.45 1xsb s SER 113 Cb -0.13 -0.78 1.43 0.00 0.21 0.00 0.00 66.02 66.75 1xsb s SER 113 CO 0.16 -0.67 1.69 0.45 0.41 0.00 0.00 173.24 175.27 1xsb h HIS 114 N 0.74 0.35 -0.25 2.43 -0.00 -1.98 2.18 115.15 118.61 1xsb h HIS 114 Ca -0.41 0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 59.94 1xsb h HIS 114 Cb 1.27 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.58 1xsb h HIS 114 CO 0.42 -0.07 0.01 1.49 -0.00 0.00 0.00 177.93 179.78 1xsb h GLU 115 N 0.12 0.38 -6.03 2.45 4.57 -1.92 -3.42 114.58 110.73 1xsb h GLU 115 Ca 0.73 -0.06 -0.68 0.00 -1.18 0.00 0.00 59.36 58.16 1xsb h GLU 115 Cb 2.46 -0.06 -0.26 0.00 -0.16 0.00 0.00 28.75 30.73 1xsb h GLU 115 CO -0.23 0.40 -0.79 -1.01 -1.18 0.00 0.00 179.01 176.19 1xsb s HIS 116 N -5.00 2.67 -0.16 0.92 3.76 0.74 -3.73 115.29 114.48 1xsb s HIS 116 Ca -0.07 -0.39 -0.03 0.00 -0.15 0.00 0.00 55.06 54.43 1xsb s HIS 116 Cb 0.16 -1.67 -0.09 0.00 1.11 0.00 0.00 32.58 32.09 1xsb s HIS 116 CO 0.74 0.01 -0.17 0.94 -0.85 0.00 0.00 174.74 175.40 1xsb n GLN 117 N 2.73 0.38 -4.04 1.40 -0.06 -1.19 -3.62 117.38 112.99 1xsb n GLN 117 Ca -0.17 0.12 -0.07 0.00 -2.00 0.00 0.00 57.00 54.87 1xsb n GLN 117 Cb 0.52 -1.23 -0.09 0.00 -4.06 0.00 0.00 30.24 25.38 1xsb n GLN 117 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1xsb s ALA 118 N -2.31 0.33 0.10 1.69 0.00 -1.26 -4.96 121.76 115.35 1xsb s ALA 118 Ca -0.22 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.70 1xsb s ALA 118 Cb 0.07 0.31 -0.04 0.00 0.00 0.00 0.00 23.12 23.46 1xsb s ALA 118 CO 0.34 -0.39 -0.07 1.52 0.00 0.00 0.00 175.76 177.16 1xsb s TYR 119 N -3.81 0.91 0.02 0.00 1.13 -1.26 0.25 117.35 114.59 1xsb s TYR 119 Ca 0.06 -0.87 -0.00 0.00 -1.41 0.00 0.00 57.07 54.85 1xsb s TYR 119 Cb 0.07 -0.52 -0.02 0.00 -1.10 0.00 0.00 41.96 40.39 1xsb s TYR 119 CO -0.10 -0.12 -0.03 1.03 -2.51 0.00 0.00 175.55 173.82 1xsb s ARG 120 N -3.64 0.32 -0.37 -3.49 0.52 -0.74 -4.98 118.95 106.57 1xsb s ARG 120 Ca 0.10 -0.62 -0.07 0.00 -0.52 0.00 0.00 55.73 54.62 1xsb s ARG 120 Cb 0.04 0.11 0.06 0.00 0.52 0.00 0.00 34.95 35.67 1xsb s ARG 120 CO -0.04 -0.05 0.17 -1.58 0.02 0.00 0.00 175.30 173.82 1xsb s TRP 121 N -1.51 3.31 0.33 -0.53 0.52 -1.26 -2.82 118.94 116.97 1xsb s TRP 121 Ca -0.16 -1.50 0.03 0.00 0.02 0.00 0.00 56.10 54.49 1xsb s TRP 121 Cb -0.10 -2.57 -0.05 0.00 -1.15 0.00 0.00 33.47 29.60 1xsb s TRP 121 CO -0.01 -0.78 0.09 -0.51 0.02 0.00 0.00 176.95 175.76 1xsb s LEU 122 N 1.40 1.99 0.00 2.99 1.02 -1.24 -4.93 118.68 119.91 1xsb s LEU 122 Ca 0.01 -1.46 -0.10 0.00 0.02 0.00 0.00 54.13 52.60 1xsb s LEU 122 Cb -0.21 -0.20 0.16 0.00 0.02 0.00 0.00 46.19 45.97 1xsb s LEU 122 CO 0.02 -0.73 0.99 0.61 0.02 0.00 0.00 176.35 177.26 1xsb n GLY 123 N -0.69 -0.87 0.35 -3.19 0.00 -1.26 -1.39 105.19 98.14 1xsb n GLY 123 Ca -0.03 -1.79 -0.01 0.00 0.00 0.00 0.00 46.02 44.19 1xsb n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xsb h LEU 124 N 0.00 1.02 0.18 0.99 5.85 -1.95 0.53 115.31 121.93 1xsb h LEU 124 Ca -0.32 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.39 1xsb h LEU 124 Cb 0.95 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1xsb h LEU 124 CO 0.25 0.71 -0.24 1.05 -0.34 0.00 0.00 178.44 179.87 1xsb h GLU 125 N 1.20 -0.47 -0.13 1.25 4.11 -1.95 0.88 114.58 119.47 1xsb h GLU 125 Ca 0.36 0.03 -0.09 0.00 0.07 0.00 0.00 59.36 59.73 1xsb h GLU 125 Cb -0.04 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1xsb h GLU 125 CO -0.11 -0.31 -0.28 0.93 0.07 0.00 0.00 179.01 179.32 1xsb h GLU 126 N -0.48 0.42 -0.73 1.06 3.07 -1.86 0.30 114.58 116.36 1xsb h GLU 126 Ca 0.01 -0.28 0.14 0.00 -0.50 0.00 0.00 59.36 58.74 1xsb h GLU 126 Cb 0.48 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.38 1xsb h GLU 126 CO -0.10 0.88 0.49 0.00 -1.40 0.00 0.00 179.01 178.88 1xsb h ALA 127 N 0.54 2.12 0.03 3.43 0.00 0.25 0.58 119.26 126.20 1xsb h ALA 127 Ca 0.00 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1xsb h ALA 127 Cb 0.87 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1xsb h ALA 127 CO 0.06 -0.31 -1.03 0.00 0.00 0.00 0.00 179.25 177.97 1xsb h GLN 129 N 0.25 0.29 -0.30 0.00 -0.00 0.35 -3.13 115.11 112.58 1xsb h GLN 129 Ca -0.11 -0.11 -0.08 0.00 -0.00 0.00 0.00 58.65 58.36 1xsb h GLN 129 Cb 1.68 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 29.13 1xsb h GLN 129 CO 0.18 0.56 -0.11 -0.07 -0.00 0.00 0.00 178.83 179.39 1xsb h LEU 130 N -0.00 0.62 -4.29 0.06 3.38 -0.15 -2.97 115.31 111.97 1xsb h LEU 130 Ca 0.04 -0.39 -0.27 0.00 0.09 0.00 0.00 57.88 57.35 1xsb h LEU 130 Cb 0.44 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.98 1xsb h LEU 130 CO 0.01 0.87 0.53 0.00 0.09 0.00 0.00 178.44 179.94 1xsb n ALA 131 N -2.43 6.22 -0.45 1.53 0.00 -0.27 -4.24 120.51 120.87 1xsb n ALA 131 Ca -0.03 -2.03 0.37 0.00 0.00 0.00 0.00 53.44 51.75 1xsb n ALA 131 Cb 0.35 -2.53 0.62 0.00 0.00 0.00 0.00 19.45 17.90 1xsb n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsb n GLN 132 N 2.78 -0.03 -1.68 0.00 10.64 -1.12 -3.65 117.38 124.33 1xsb n GLN 132 Ca 0.47 1.10 -0.47 0.00 -1.83 0.00 0.00 57.00 56.26 1xsb n GLN 132 Cb 0.72 -2.21 -0.04 0.00 -0.86 0.00 0.00 30.24 27.85 1xsb n GLN 132 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1xsb n PHE 133 N -4.38 2.30 -0.21 2.61 3.72 -1.26 -4.82 117.46 115.42 1xsb n PHE 133 Ca 0.36 0.11 0.06 0.00 -0.05 0.00 0.00 57.45 57.93 1xsb n PHE 133 Cb 1.45 -2.61 0.33 0.00 -0.94 0.00 0.00 39.48 37.71 1xsb n PHE 133 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1xsb h LYS 134 N 7.82 0.79 -0.73 -1.08 3.64 -1.96 -0.58 116.57 124.48 1xsb h LYS 134 Ca -0.47 -0.05 0.08 0.00 -1.27 0.00 0.00 60.65 58.94 1xsb h LYS 134 Cb 1.26 -0.18 -0.07 0.00 -0.41 0.00 0.00 32.23 32.84 1xsb h LYS 134 CO 0.92 0.53 0.39 0.93 -2.27 0.00 0.00 179.45 179.95 1xsb h GLU 135 N 0.82 0.66 0.07 1.90 5.08 -1.89 0.58 114.58 121.80 1xsb h GLU 135 Ca 0.33 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.51 1xsb h GLU 135 Cb 0.25 -0.15 0.02 0.00 0.50 0.00 0.00 28.75 29.37 1xsb h GLU 135 CO -0.11 0.44 -0.61 0.52 -1.00 0.00 0.00 179.01 178.24 1xsb h MET 136 N 0.68 0.29 -0.63 2.33 2.86 -1.59 0.40 114.93 119.27 1xsb h MET 136 Ca 0.34 -0.41 0.12 0.00 -2.06 0.00 0.00 59.70 57.70 1xsb h MET 136 Cb 0.30 0.14 -0.04 0.00 0.06 0.00 0.00 31.60 32.06 1xsb h MET 136 CO -0.23 1.14 0.42 0.87 1.06 0.00 0.00 176.91 180.17 1xsb h LYS 137 N -0.37 0.35 0.06 1.72 1.57 -0.81 1.33 116.57 120.43 1xsb h LYS 137 Ca -0.10 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1xsb h LYS 137 Cb 1.41 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1xsb h LYS 137 CO 0.12 0.23 -0.03 0.00 -0.57 0.00 0.00 179.45 179.20 1xsb h ALA 138 N 1.69 -0.08 -0.28 3.86 0.00 0.26 0.15 119.26 124.86 1xsb h ALA 138 Ca 0.30 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1xsb h ALA 138 Cb 0.67 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 1xsb h ALA 138 CO -0.08 -0.18 -0.04 0.00 0.00 0.00 0.00 179.25 178.95 1xsb h ALA 139 N -0.05 0.21 0.00 0.00 0.00 0.13 1.06 119.26 120.60 1xsb h ALA 139 Ca -0.01 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1xsb h ALA 139 Cb 0.63 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1xsb h ALA 139 CO 0.01 -0.45 -0.15 -0.07 0.00 0.00 0.00 179.25 178.59 1xsb h LEU 140 N 0.03 0.00 0.07 0.00 3.38 0.16 -1.50 115.31 117.46 1xsb h LEU 140 Ca 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1xsb h LEU 140 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1xsb h LEU 140 CO -0.26 0.15 -0.03 1.56 0.09 0.00 0.00 178.44 179.94 1xsb h GLN 141 N 0.00 -0.09 -0.42 1.13 1.08 0.30 -2.95 115.11 114.15 1xsb h GLN 141 Ca -0.00 0.01 -0.07 0.00 -1.45 0.00 0.00 58.65 57.14 1xsb h GLN 141 Cb 0.32 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.75 1xsb h GLN 141 CO 0.02 0.48 -0.02 0.93 -0.95 0.00 0.00 178.83 179.29 1xsb h GLU 142 N -0.86 0.69 -0.30 1.46 3.07 0.95 0.11 114.58 119.70 1xsb h GLU 142 Ca -0.01 -0.18 0.04 0.00 -0.50 0.00 0.00 59.36 58.71 1xsb h GLU 142 Cb 0.61 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.40 1xsb h GLU 142 CO 0.02 0.72 0.07 0.78 -1.40 0.00 0.00 179.01 179.20 1xsb h GLY 143 N 0.94 0.35 0.95 -3.84 0.00 -1.36 1.23 103.07 101.35 1xsb h GLY 143 Ca 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 47.39 1xsb h GLY 143 CO 0.02 0.00 0.13 0.84 0.00 0.00 0.00 176.54 177.53 1xsb h HIS 144 N 0.19 0.73 -0.46 5.60 -0.00 -1.28 0.76 115.15 120.69 1xsb h HIS 144 Ca 0.14 -0.08 -0.02 0.00 -0.00 0.00 0.00 60.37 60.41 1xsb h HIS 144 Cb 0.13 -0.21 -0.02 0.00 -0.00 0.00 0.00 27.41 27.31 1xsb h HIS 144 CO -0.16 0.66 0.21 0.37 -0.00 0.00 0.00 177.93 179.01 1xsb h GLN 145 N 0.58 0.67 0.01 5.26 5.75 0.00 -2.10 115.11 125.29 1xsb h GLN 145 Ca 0.14 -0.10 -0.00 0.00 -0.15 0.00 0.00 58.65 58.54 1xsb h GLN 145 Cb 0.28 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.71 1xsb h GLN 145 CO -0.00 0.58 -0.01 0.35 -2.65 0.00 0.00 178.83 177.10 1xsb h PHE 146 N 0.60 -0.02 -0.57 3.99 3.04 0.17 -2.87 116.94 121.28 1xsb h PHE 146 Ca 0.16 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.21 1xsb h PHE 146 Cb 0.14 0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.62 1xsb h PHE 146 CO -0.01 0.48 0.39 -0.07 -2.02 0.00 0.00 178.31 177.08 1xsb h LEU 147 N -0.52 0.29 -0.16 0.59 3.38 -0.84 0.72 115.31 118.77 1xsb h LEU 147 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xsb h LEU 147 Cb 0.51 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1xsb h LEU 147 CO 0.00 0.17 0.00 0.00 0.09 0.00 0.00 178.44 178.71 1xsb n SER 149 N -1.90 0.48 0.00 0.00 7.64 0.25 -4.81 113.62 115.28 1xsb n SER 149 Ca 0.05 -0.22 0.00 0.00 1.01 0.00 0.00 58.87 59.71 1xsb n SER 149 Cb 0.31 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 1xsb n SER 149 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xsb n ILE 150 N -1.48 0.00 -0.07 0.44 5.41 -1.08 -5.02 119.36 117.56 1xsb n ILE 150 Ca 0.06 0.00 -0.07 0.00 1.00 0.00 0.00 62.75 63.74 1xsb n ILE 150 Cb 0.34 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.24 1xsb n ILE 150 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xsb n GLU 151 N 0.00 0.42 -3.06 0.38 2.13 -1.26 -5.05 120.64 114.21 1xsb n GLU 151 Ca 0.00 0.21 0.00 0.00 0.66 0.00 0.00 57.16 58.03 1xsb n GLU 151 Cb 0.00 -1.29 0.00 0.00 0.27 0.00 0.00 31.44 30.42 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xsb n ALA 152 N -3.99 -1.69 0.00 4.31 0.00 -1.26 -5.09 120.51 112.79 1xsb n ALA 152 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1xsb n ALA 152 Cb 0.39 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.36 1xsb n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78