#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 4.31 0.37 1.61 0.04 -1.26 -4.94 135.00 135.14 1xsb s PRO 2 Ca 0.00 1.80 0.07 0.00 0.04 0.00 0.00 61.00 62.91 1xsb s PRO 2 Cb 0.00 -2.87 0.73 0.00 0.04 0.00 0.00 34.50 32.40 1xsb s PRO 2 CO 0.00 -0.08 1.93 -0.07 0.04 0.00 0.00 177.00 178.82 1xsb h LEU 3 N 3.10 0.38 0.00 -3.56 3.38 -2.08 -3.47 115.31 113.06 1xsb h LEU 3 Ca -0.48 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1xsb h LEU 3 Cb 1.22 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1xsb h LEU 3 CO 0.64 0.44 0.00 0.61 0.09 0.00 0.00 178.44 180.22 1xsb n GLY 4 N -1.01 -1.25 2.94 0.83 0.00 -1.26 -5.11 105.19 100.34 1xsb n GLY 4 Ca 0.01 -0.86 -0.02 0.00 0.00 0.00 0.00 46.02 45.15 1xsb n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsb n SER 5 N 0.24 -5.55 -3.65 1.61 7.64 -1.26 -5.03 113.62 107.63 1xsb n SER 5 Ca 0.00 1.02 -0.04 0.00 1.01 0.00 0.00 58.87 60.86 1xsb n SER 5 Cb 0.00 -2.88 -0.07 0.00 -1.01 0.00 0.00 64.21 60.25 1xsb n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xsb s MET 6 N -0.49 0.20 0.32 1.43 0.23 -1.26 -5.07 119.30 114.67 1xsb s MET 6 Ca -0.08 0.26 -0.13 0.00 -1.03 0.00 0.00 55.69 54.71 1xsb s MET 6 Cb 0.01 0.09 -0.10 0.00 -1.53 0.00 0.00 34.83 33.29 1xsb s MET 6 CO 0.28 -0.03 -0.04 0.00 -2.03 0.00 0.00 175.02 173.21 1xsb n ALA 7 N 2.14 -2.54 -2.76 3.16 0.00 -1.26 -4.87 120.51 114.37 1xsb n ALA 7 Ca -0.13 0.01 -0.34 0.00 0.00 0.00 0.00 53.44 52.98 1xsb n ALA 7 Cb 0.57 -0.98 -0.08 0.00 0.00 0.00 0.00 19.45 18.96 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 3.30 3.87 -0.15 0.00 1.02 0.25 -4.97 118.68 122.00 1xsb s LEU 8 Ca 0.40 0.20 -0.19 0.00 0.02 0.00 0.00 54.13 54.56 1xsb s LEU 8 Cb -0.37 -2.07 -0.04 0.00 0.02 0.00 0.00 46.19 43.73 1xsb s LEU 8 CO 0.45 0.33 0.51 -0.60 0.02 0.00 0.00 176.35 177.06 1xsb s ARG 9 N -1.31 4.28 0.07 1.70 3.52 -1.26 -1.12 118.95 124.84 1xsb s ARG 9 Ca 0.18 0.46 0.02 0.00 -0.13 0.00 0.00 55.73 56.26 1xsb s ARG 9 Cb -0.12 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 1xsb s ARG 9 CO 0.08 0.02 -0.07 0.00 -0.81 0.00 0.00 175.30 174.52 1xsb s ALA 10 N 1.06 0.79 -0.08 6.12 0.00 -0.19 -2.65 121.76 126.81 1xsb s ALA 10 Ca 0.26 -1.07 -0.03 0.00 0.00 0.00 0.00 51.96 51.11 1xsb s ALA 10 Cb -0.15 0.10 0.05 0.00 0.00 0.00 0.00 23.12 23.11 1xsb s ALA 10 CO 0.10 -0.13 0.17 0.00 0.00 0.00 0.00 175.76 175.91 1xsb s GLY 12 N 1.93 2.73 -0.18 0.00 0.00 -0.97 -3.41 107.32 107.42 1xsb s GLY 12 Ca -0.01 -1.21 0.01 0.00 0.00 0.00 0.00 44.72 43.50 1xsb s GLY 12 CO -0.06 -2.08 -0.16 1.08 0.00 0.00 0.00 173.10 171.87 1xsb s LEU 13 N -3.75 2.18 -0.53 0.66 1.43 -1.05 -3.82 118.68 113.81 1xsb s LEU 13 Ca 0.20 -0.72 -0.25 0.00 -1.03 0.00 0.00 54.13 52.33 1xsb s LEU 13 Cb 0.05 -1.38 0.04 0.00 0.03 0.00 0.00 46.19 44.92 1xsb s LEU 13 CO 0.10 -0.05 0.96 -0.63 0.23 0.00 0.00 176.35 176.96 1xsb s ILE 14 N 1.33 4.38 -0.10 -0.59 1.01 -0.64 -4.48 121.20 122.12 1xsb s ILE 14 Ca 0.03 0.47 -0.10 0.00 0.00 0.00 0.00 60.65 61.04 1xsb s ILE 14 Cb -0.14 -4.53 -0.05 0.00 0.01 0.00 0.00 42.46 37.76 1xsb s ILE 14 CO -0.11 -1.06 0.24 -0.63 0.00 0.00 0.00 174.94 173.38 1xsb s ILE 15 N 3.98 5.34 -0.07 2.92 1.01 -1.26 0.59 121.20 133.71 1xsb s ILE 15 Ca 0.33 0.43 -0.01 0.00 0.00 0.00 0.00 60.65 61.41 1xsb s ILE 15 Cb -0.11 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.86 1xsb s ILE 15 CO 0.22 0.57 -0.01 0.72 0.00 0.00 0.00 174.94 176.44 1xsb s PHE 16 N -0.75 0.73 -0.25 3.97 -0.71 1.33 -1.79 117.98 120.50 1xsb s PHE 16 Ca 0.17 -0.21 -0.29 0.00 -1.04 0.00 0.00 56.93 55.56 1xsb s PHE 16 Cb -0.13 -0.82 0.01 0.00 -1.21 0.00 0.00 43.02 40.87 1xsb s PHE 16 CO 0.06 -0.33 1.08 0.50 -1.34 0.00 0.00 175.22 175.19 1xsb s ARG 17 N 1.85 4.19 -0.14 1.99 3.52 0.19 -3.93 118.95 126.62 1xsb s ARG 17 Ca 0.03 1.31 -0.13 0.00 -0.13 0.00 0.00 55.73 56.81 1xsb s ARG 17 Cb -0.12 -3.69 -0.05 0.00 -1.56 0.00 0.00 34.95 29.53 1xsb s ARG 17 CO -0.05 -0.73 0.30 0.50 -0.81 0.00 0.00 175.30 174.51 1xsb s ARG 18 N 3.38 4.15 -0.11 5.12 3.52 -1.26 -2.84 118.95 130.92 1xsb s ARG 18 Ca 0.46 0.12 -0.00 0.00 -0.13 0.00 0.00 55.73 56.18 1xsb s ARG 18 Cb -0.15 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1xsb s ARG 18 CO 0.10 0.34 -0.10 0.00 -0.81 0.00 0.00 175.30 174.83 1xsb h LEU 20 N 6.08 0.49 -8.28 0.00 5.85 -1.98 -3.43 115.31 114.05 1xsb h LEU 20 Ca -0.37 0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.30 1xsb h LEU 20 Cb 1.19 0.00 -0.15 0.00 0.37 0.00 0.00 40.66 42.07 1xsb h LEU 20 CO 0.55 0.23 -0.68 0.27 -0.34 0.00 0.00 178.44 178.48 1xsb s ILE 21 N -6.00 0.23 0.57 4.05 -5.25 -1.26 -5.00 121.20 108.53 1xsb s ILE 21 Ca -0.12 -1.83 -0.20 0.00 -0.99 0.00 0.00 60.65 57.51 1xsb s ILE 21 Cb 0.20 -1.60 -0.05 0.00 2.95 0.00 0.00 42.46 43.97 1xsb s ILE 21 CO 0.77 -0.92 1.18 -2.65 -1.79 0.00 0.00 174.94 171.53 1xsb n PRO 22 N 0.07 1.28 0.00 0.37 -0.02 -1.26 -5.00 135.00 130.44 1xsb n PRO 22 Ca -0.13 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1xsb n PRO 22 Cb 0.61 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1xsb n PRO 22 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1xsb n LYS 23 N -1.06 0.00 0.08 -0.52 4.01 -1.26 -4.61 118.16 114.79 1xsb n LYS 23 Ca 0.12 0.00 0.13 0.00 -0.51 0.00 0.00 58.31 58.05 1xsb n LYS 23 Cb 0.46 -0.11 0.46 0.00 -0.51 0.00 0.00 35.03 35.33 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1xsb n VAL 24 N -1.71 0.52 -1.82 -0.18 0.31 -1.26 -4.89 118.33 109.31 1xsb n VAL 24 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1xsb n VAL 24 Cb 0.00 -0.69 0.00 0.00 -0.91 0.00 0.00 33.84 32.24 1xsb n VAL 24 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1xsb n ASP 25 N -2.02 -1.17 0.00 4.52 4.64 -1.26 -5.01 116.55 116.24 1xsb n ASP 25 Ca 0.05 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.46 1xsb n ASP 25 Cb 0.36 -0.41 0.00 0.00 -1.04 0.00 0.00 41.12 40.03 1xsb n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1xsb n ASN 26 N 1.46 0.00 -4.32 1.67 5.15 -1.26 -5.03 115.26 112.94 1xsb n ASN 26 Ca 0.00 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 53.63 1xsb n ASN 26 Cb 0.41 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.52 1xsb n ASN 26 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1xsb s ASN 27 N 0.39 4.29 0.33 1.20 3.04 -1.26 -4.98 114.94 117.94 1xsb s ASN 27 Ca 0.00 -0.38 0.03 0.00 0.04 0.00 0.00 52.86 52.55 1xsb s ASN 27 Cb 0.00 -1.73 0.57 0.00 -1.54 0.00 0.00 41.25 38.55 1xsb s ASN 27 CO 0.00 -0.00 1.88 0.00 -3.04 0.00 0.00 177.10 175.93 1xsb h ALA 28 N 7.98 1.36 -3.91 1.71 0.00 -1.96 -3.43 119.26 121.01 1xsb h ALA 28 Ca -0.40 -0.19 -0.69 0.00 0.00 0.00 0.00 54.91 53.63 1xsb h ALA 28 Cb 1.16 -0.17 -0.22 0.00 0.00 0.00 0.00 17.79 18.57 1xsb h ALA 28 CO 0.60 0.45 -0.75 0.42 0.00 0.00 0.00 179.25 179.97 1xsb s ILE 29 N -5.06 3.23 0.15 0.00 1.01 -1.26 -3.70 121.20 115.57 1xsb s ILE 29 Ca -0.08 -0.72 0.08 0.00 0.00 0.00 0.00 60.65 59.92 1xsb s ILE 29 Cb 0.16 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 1xsb s ILE 29 CO 0.77 0.55 -0.17 -1.61 0.00 0.00 0.00 174.94 174.47 1xsb s GLU 30 N -0.89 1.21 0.17 2.79 2.02 -1.13 -4.20 118.70 118.67 1xsb s GLU 30 Ca 0.13 -1.36 0.11 0.00 0.02 0.00 0.00 54.97 53.86 1xsb s GLU 30 Cb -0.11 -1.24 -0.04 0.00 0.10 0.00 0.00 34.13 32.84 1xsb s GLU 30 CO 0.02 0.25 -0.21 -0.06 0.02 0.00 0.00 175.26 175.28 1xsb s PHE 31 N -2.03 2.39 -0.07 1.61 0.08 -0.68 0.53 117.98 119.81 1xsb s PHE 31 Ca 0.14 -0.33 -0.26 0.00 0.12 0.00 0.00 56.93 56.60 1xsb s PHE 31 Cb -0.06 -1.22 -0.03 0.00 -0.57 0.00 0.00 43.02 41.15 1xsb s PHE 31 CO 0.06 0.45 0.83 -1.17 -0.10 0.00 0.00 175.22 175.29 1xsb s LEU 32 N -2.50 4.29 -0.05 -0.37 2.96 -0.74 -3.82 118.68 118.45 1xsb s LEU 32 Ca 0.20 1.33 0.02 0.00 -0.22 0.00 0.00 54.13 55.46 1xsb s LEU 32 Cb -0.09 -3.28 0.01 0.00 0.50 0.00 0.00 46.19 43.34 1xsb s LEU 32 CO 0.10 -0.24 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.04 1xsb s LEU 33 N 1.24 1.56 -0.02 -0.68 1.43 -1.19 -4.64 118.68 116.37 1xsb s LEU 33 Ca 0.42 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 53.28 1xsb s LEU 33 Cb -0.18 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 1xsb s LEU 33 CO 0.19 0.01 0.14 -0.76 0.23 0.00 0.00 176.35 176.16 1xsb s LEU 34 N 0.67 4.19 -0.15 1.79 1.43 -1.07 -1.75 118.68 123.79 1xsb s LEU 34 Ca -0.12 0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 53.14 1xsb s LEU 34 Cb -0.14 -2.40 -0.05 0.00 0.03 0.00 0.00 46.19 43.63 1xsb s LEU 34 CO 0.02 0.29 0.28 -1.58 0.23 0.00 0.00 176.35 175.59 1xsb s GLN 35 N -1.72 4.18 0.29 1.70 0.74 2.08 -2.76 119.66 124.19 1xsb s GLN 35 Ca 0.24 0.09 -0.29 0.00 0.05 0.00 0.00 55.36 55.45 1xsb s GLN 35 Cb -0.12 -3.40 -0.09 0.00 1.10 0.00 0.00 33.01 30.49 1xsb s GLN 35 CO 0.15 0.30 1.10 0.00 -0.55 0.00 0.00 175.29 176.29 1xsb s ALA 36 N 0.28 3.37 -1.98 1.58 0.00 -1.21 0.34 121.76 124.15 1xsb s ALA 36 Ca 0.16 0.89 0.30 0.00 0.00 0.00 0.00 51.96 53.32 1xsb s ALA 36 Cb -0.13 -3.33 1.50 0.00 0.00 0.00 0.00 23.12 21.16 1xsb s ALA 36 CO 0.04 -0.19 2.01 -1.13 0.00 0.00 0.00 175.76 176.49 1xsb n SER 37 N 1.04 0.48 -2.80 0.00 3.41 -1.20 -4.46 113.62 110.08 1xsb n SER 37 Ca -0.00 -0.95 -0.14 0.00 -0.26 0.00 0.00 58.87 57.52 1xsb n SER 37 Cb 0.45 -0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.33 1xsb n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xsb n ASP 38 N -0.73 -1.08 0.00 4.04 3.85 -1.26 -5.00 116.55 116.37 1xsb n ASP 38 Ca 0.20 -2.73 0.00 0.00 -0.71 0.00 0.00 54.79 51.55 1xsb n ASP 38 Cb 0.22 2.08 0.00 0.00 -1.35 0.00 0.00 41.12 42.07 1xsb n ASP 38 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xsb n GLY 39 N -0.52 -1.14 0.00 6.12 0.00 -1.26 -3.37 105.19 105.02 1xsb n GLY 39 Ca 0.02 -1.24 0.06 0.00 0.00 0.00 0.00 46.02 44.86 1xsb n GLY 39 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xsb n ILE 40 N 0.00 0.00 -2.66 -0.61 -5.35 -1.26 -4.81 119.36 104.66 1xsb n ILE 40 Ca 0.00 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.39 1xsb n ILE 40 Cb 0.00 -0.35 0.02 0.00 -1.74 0.00 0.00 39.64 37.57 1xsb n ILE 40 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1xsb n HIS 41 N -0.74 -0.86 -1.53 4.28 8.25 -1.22 -5.00 115.22 118.39 1xsb n HIS 41 Ca 0.09 0.26 -0.31 0.00 -0.26 0.00 0.00 57.72 57.49 1xsb n HIS 41 Cb 0.04 -2.41 0.06 0.00 1.12 0.00 0.00 29.99 28.80 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 -2.88 2.84 -0.11 4.41 -0.00 -1.26 -4.69 115.29 113.60 1xsb s HIS 42 Ca 0.15 1.50 -0.04 0.00 -0.00 0.00 0.00 55.06 56.67 1xsb s HIS 42 Cb -0.07 -2.99 -0.03 0.00 -0.00 0.00 0.00 32.58 29.49 1xsb s HIS 42 CO 0.19 -1.48 0.02 -1.58 -0.00 0.00 0.00 174.74 171.89 1xsb s TRP 43 N -2.84 3.20 -0.01 0.38 0.52 -1.25 -3.31 118.94 115.64 1xsb s TRP 43 Ca 0.61 0.15 -0.16 0.00 0.02 0.00 0.00 56.10 56.72 1xsb s TRP 43 Cb -0.16 -1.87 0.03 0.00 -1.15 0.00 0.00 33.47 30.31 1xsb s TRP 43 CO 0.52 0.38 0.34 0.95 0.02 0.00 0.00 176.95 179.15 1xsb s THR 44 N -0.54 0.06 0.75 2.01 -4.23 -1.11 -4.42 115.64 108.16 1xsb s THR 44 Ca 0.10 -0.47 -0.12 0.00 -1.18 0.00 0.00 61.69 60.02 1xsb s THR 44 Cb -0.12 -0.69 0.05 0.00 1.34 0.00 0.00 72.50 73.08 1xsb s THR 44 CO 0.02 -0.26 1.11 -2.16 -0.54 0.00 0.00 174.62 172.79 1xsb s PRO 45 N -1.50 2.27 -0.12 3.99 0.04 -1.26 -2.61 135.00 135.81 1xsb s PRO 45 Ca -0.12 1.30 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 1xsb s PRO 45 Cb -0.04 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.54 1xsb s PRO 45 CO 0.04 -1.65 2.09 -1.25 0.04 0.00 0.00 177.00 176.26 1xsb s PRO 46 N -4.61 3.55 0.19 0.56 0.04 -1.26 -4.87 135.00 128.59 1xsb s PRO 46 Ca 0.64 2.22 0.02 0.00 0.04 0.00 0.00 61.00 63.92 1xsb s PRO 46 Cb -0.19 -4.27 -0.05 0.00 0.04 0.00 0.00 34.50 30.03 1xsb s PRO 46 CO 0.52 -1.63 0.01 -1.59 0.04 0.00 0.00 177.00 174.35 1xsb s LYS 47 N 5.54 1.18 0.10 4.56 -2.85 -1.26 -2.52 119.74 124.49 1xsb s LYS 47 Ca 0.94 -1.58 -0.05 0.00 -1.00 0.00 0.00 55.97 54.28 1xsb s LYS 47 Cb -0.36 -0.32 0.02 0.00 -2.06 0.00 0.00 37.83 35.11 1xsb s LYS 47 CO 0.37 -0.14 0.26 0.41 0.10 0.00 0.00 175.35 176.35 1xsb n GLY 48 N -0.29 1.52 3.81 0.59 0.00 -1.22 -4.99 105.19 104.61 1xsb n GLY 48 Ca -0.05 -1.06 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 1xsb n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xsb s HIS 49 N -6.35 3.53 0.12 1.61 3.76 -1.26 -2.64 115.29 114.06 1xsb s HIS 49 Ca 0.05 0.48 -0.23 0.00 -0.15 0.00 0.00 55.06 55.22 1xsb s HIS 49 Cb -0.01 -2.06 -0.07 0.00 1.11 0.00 0.00 32.58 31.54 1xsb s HIS 49 CO 0.03 0.54 0.68 0.54 -0.85 0.00 0.00 174.74 175.68 1xsb s VAL 50 N -0.43 4.54 0.55 -0.90 0.11 -1.08 -4.92 120.40 118.28 1xsb s VAL 50 Ca 0.13 1.48 -0.09 0.00 -2.93 0.00 0.00 61.98 60.57 1xsb s VAL 50 Cb -0.12 -4.03 0.14 0.00 -1.53 0.00 0.00 36.38 30.84 1xsb s VAL 50 CO 0.02 0.53 0.44 1.21 -3.33 0.00 0.00 175.10 173.98 1xsb n GLU 51 N 1.69 -2.25 0.01 1.54 4.07 -1.26 -4.89 120.64 119.54 1xsb n GLU 51 Ca -0.08 -0.72 -0.01 0.00 -0.06 0.00 0.00 57.16 56.30 1xsb n GLU 51 Cb 0.50 -0.73 -0.00 0.00 -0.06 0.00 0.00 31.44 31.15 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 -0.05 -0.64 5.31 0.13 -1.99 -3.32 132.00 131.44 1xsb h PRO 52 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1xsb h PRO 52 Cb 0.54 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.69 1xsb h PRO 52 CO 0.11 -0.03 0.00 0.41 -0.23 0.00 0.00 178.00 178.26 1xsb n GLY 53 N 1.48 0.82 3.86 1.56 0.00 -1.26 -4.84 105.19 106.82 1xsb n GLY 53 Ca -0.01 -0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.44 3.88 0.75 1.61 2.12 -1.25 -5.06 118.70 119.31 1xsb s GLU 54 Ca 0.05 0.51 -0.11 0.00 0.36 0.00 0.00 54.97 55.78 1xsb s GLU 54 Cb 0.04 -2.45 0.04 0.00 0.26 0.00 0.00 34.13 32.01 1xsb s GLU 54 CO 0.02 0.11 1.08 0.34 -0.54 0.00 0.00 175.26 176.27 1xsb s ASP 55 N -2.64 4.94 -0.09 -1.70 3.68 -1.26 -4.79 116.67 114.81 1xsb s ASP 55 Ca 0.52 1.43 -0.27 0.00 2.13 0.00 0.00 52.55 56.36 1xsb s ASP 55 Cb -0.10 -2.23 -0.24 0.00 -1.45 0.00 0.00 42.92 38.89 1xsb s ASP 55 CO 0.23 -1.70 0.96 0.44 0.13 0.00 0.00 175.17 175.23 1xsb h ASP 56 N -0.90 0.08 -0.18 -0.34 3.32 -1.97 -3.02 116.42 113.42 1xsb h ASP 56 Ca -0.45 -0.82 -0.10 0.00 0.02 0.00 0.00 57.03 55.68 1xsb h ASP 56 Cb 1.24 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 1xsb h ASP 56 CO 0.58 0.89 -0.27 0.25 -1.72 0.00 0.00 179.24 178.98 1xsb h LEU 57 N -0.72 0.54 -1.02 1.55 5.85 -1.98 -3.02 115.31 116.51 1xsb h LEU 57 Ca -0.01 -0.52 0.15 0.00 0.84 0.00 0.00 57.88 58.33 1xsb h LEU 57 Cb 0.91 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.69 1xsb h LEU 57 CO 0.02 0.96 0.62 -0.33 -0.34 0.00 0.00 178.44 179.38 1xsb h GLU 58 N 0.14 0.87 -0.83 1.25 3.07 -1.97 0.67 114.58 117.78 1xsb h GLU 58 Ca 0.02 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1xsb h GLU 58 Cb 0.85 -0.20 -0.04 0.00 -0.84 0.00 0.00 28.75 28.52 1xsb h GLU 58 CO 0.06 0.58 0.54 1.15 -1.40 0.00 0.00 179.01 179.94 1xsb h THR 59 N 0.90 1.18 -0.64 1.13 2.02 -1.44 1.14 112.91 117.19 1xsb h THR 59 Ca 0.53 -0.37 -0.08 0.00 0.77 0.00 0.00 66.41 67.25 1xsb h THR 59 Cb 0.66 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1xsb h THR 59 CO -0.31 0.20 0.08 0.00 0.37 0.00 0.00 175.52 175.86 1xsb h ALA 60 N 1.32 0.86 0.22 6.16 0.00 0.10 0.21 119.26 128.13 1xsb h ALA 60 Ca 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xsb h ALA 60 Cb -0.07 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.48 1xsb h ALA 60 CO -0.09 0.64 -0.11 -0.07 0.00 0.00 0.00 179.25 179.63 1xsb h LEU 61 N 1.00 -0.25 -0.88 0.00 3.38 0.20 0.55 115.31 119.31 1xsb h LEU 61 Ca 0.19 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1xsb h LEU 61 Cb 0.47 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 1xsb h LEU 61 CO 0.02 -0.02 0.51 -0.09 0.09 0.00 0.00 178.44 178.95 1xsb h ARG 62 N -0.48 1.21 -0.16 1.13 2.43 0.14 -2.04 114.38 116.61 1xsb h ARG 62 Ca -0.03 -0.12 -0.14 0.00 -0.81 0.00 0.00 59.98 58.88 1xsb h ARG 62 Cb 0.36 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.65 1xsb h ARG 62 CO 0.05 0.86 -0.50 0.00 -1.51 0.00 0.00 179.97 178.87 1xsb h ALA 63 N 1.28 0.84 -0.34 2.80 0.00 -0.41 -0.06 119.26 123.36 1xsb h ALA 63 Ca 0.31 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1xsb h ALA 63 Cb -0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1xsb h ALA 63 CO -0.06 0.67 0.18 1.15 0.00 0.00 0.00 179.25 181.19 1xsb h THR 64 N 0.34 1.00 0.18 0.00 2.02 0.80 0.31 112.91 117.56 1xsb h THR 64 Ca 0.01 -0.13 -0.31 0.00 0.77 0.00 0.00 66.41 66.76 1xsb h THR 64 Cb 1.01 0.60 0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1xsb h THR 64 CO 0.09 0.07 -1.34 -0.61 0.37 0.00 0.00 175.52 174.10 1xsb h GLN 65 N 0.37 0.49 -0.62 6.66 4.15 -0.42 0.84 115.11 126.57 1xsb h GLN 65 Ca 0.14 -0.76 -0.08 0.00 0.77 0.00 0.00 58.65 58.72 1xsb h GLN 65 Cb 0.04 0.27 -0.02 0.00 0.21 0.00 0.00 27.48 27.98 1xsb h GLN 65 CO -0.09 1.35 0.07 0.93 -1.93 0.00 0.00 178.83 179.17 1xsb h GLU 66 N 0.16 1.04 -0.37 1.69 4.39 -0.83 2.60 114.58 123.26 1xsb h GLU 66 Ca -0.20 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1xsb h GLU 66 Cb 2.03 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 30.56 1xsb h GLU 66 CO 0.24 0.97 0.00 0.39 -1.16 0.00 0.00 179.01 179.45 1xsb n GLU 67 N -4.21 2.47 0.00 2.33 -0.58 0.11 -4.48 120.64 116.28 1xsb n GLU 67 Ca 0.04 -2.25 0.00 0.00 -0.42 0.00 0.00 57.16 54.53 1xsb n GLU 67 Cb 0.30 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 29.67 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 1.45 0.39 -0.06 0.62 0.00 0.24 -4.42 120.51 118.73 1xsb n ALA 68 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1xsb n ALA 68 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 0.06 0.93 3.64 0.00 0.00 0.87 0.64 105.19 111.33 1xsb n GLY 69 Ca 0.00 0.00 -0.36 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 -2.39 5.21 0.43 -0.61 1.01 -1.19 -4.73 121.20 118.93 1xsb s ILE 70 Ca 0.00 0.13 0.07 0.00 0.00 0.00 0.00 60.65 60.85 1xsb s ILE 70 Cb 0.00 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.02 1xsb s ILE 70 CO 0.00 0.36 0.28 -1.83 0.00 0.00 0.00 174.94 173.75 1xsb s GLU 71 N 1.02 2.35 0.42 2.79 -1.05 -1.26 -0.69 118.70 122.28 1xsb s GLU 71 Ca 0.07 -1.75 0.17 0.00 -0.15 0.00 0.00 54.97 53.31 1xsb s GLU 71 Cb -0.14 -2.15 1.08 0.00 -0.44 0.00 0.00 34.13 32.49 1xsb s GLU 71 CO 0.04 -0.21 1.86 0.00 0.95 0.00 0.00 175.26 177.90 1xsb h ALA 72 N 1.19 2.20 0.00 -0.84 0.00 -1.87 1.54 119.26 121.48 1xsb h ALA 72 Ca -0.42 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1xsb h ALA 72 Cb 1.26 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xsb h ALA 72 CO 0.64 -0.48 0.00 0.78 0.00 0.00 0.00 179.25 180.18 1xsb h GLY 73 N 0.41 0.00 0.00 0.00 0.00 -1.99 -1.78 103.07 99.71 1xsb h GLY 73 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 1xsb h GLY 73 CO -0.17 0.00 -0.72 -1.06 0.00 0.00 0.00 176.54 174.58 1xsb n GLN 74 N -2.50 2.00 -1.83 4.80 6.02 0.51 -4.99 117.38 121.40 1xsb n GLN 74 Ca 0.00 -0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1xsb n GLN 74 Cb 0.17 -1.21 0.00 0.00 1.02 0.00 0.00 30.24 30.21 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 -1.37 0.00 -3.72 1.08 -0.00 -0.18 -0.48 117.00 112.34 1xsb n LEU 75 Ca 0.03 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.77 1xsb n LEU 75 Cb 0.24 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.49 1xsb n LEU 75 CO 0.31 0.00 -0.36 -0.89 -0.00 0.00 0.00 177.39 176.45 1xsb s THR 76 N -1.34 0.42 0.06 1.47 2.01 0.95 -4.80 115.64 114.41 1xsb s THR 76 Ca 0.00 -0.47 -0.30 0.00 0.31 0.00 0.00 61.69 61.23 1xsb s THR 76 Cb 0.00 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 1xsb s THR 76 CO 0.00 -0.20 1.08 -0.63 -0.69 0.00 0.00 174.62 174.17 1xsb s ILE 77 N 1.91 4.39 0.12 1.82 -1.09 -1.26 -1.78 121.20 125.30 1xsb s ILE 77 Ca -0.00 1.77 -0.16 0.00 -2.23 0.00 0.00 60.65 60.03 1xsb s ILE 77 Cb -0.17 -4.13 -0.07 0.00 -1.58 0.00 0.00 42.46 36.51 1xsb s ILE 77 CO -0.08 0.17 0.55 -0.63 -1.23 0.00 0.00 174.94 173.72 1xsb s ILE 78 N 0.78 4.83 0.10 2.92 1.09 0.51 -4.98 121.20 126.45 1xsb s ILE 78 Ca 0.54 0.95 0.03 0.00 -1.10 0.00 0.00 60.65 61.06 1xsb s ILE 78 Cb -0.26 -3.78 -0.04 0.00 -1.06 0.00 0.00 42.46 37.32 1xsb s ILE 78 CO 0.29 0.36 0.13 -1.61 -0.10 0.00 0.00 174.94 174.02 1xsb s GLU 79 N -1.65 3.04 0.00 2.79 2.02 -1.26 -4.47 118.70 119.18 1xsb s GLU 79 Ca 0.34 -0.67 0.00 0.00 0.02 0.00 0.00 54.97 54.66 1xsb s GLU 79 Cb -0.16 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.27 1xsb s GLU 79 CO 0.19 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.43 1xsb n GLY 80 N 0.17 2.83 3.47 -1.39 0.00 -1.26 -5.04 105.19 103.96 1xsb n GLY 80 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.65 3.00 -0.24 1.61 2.19 -1.26 -5.09 117.98 115.55 1xsb s PHE 81 Ca 0.00 -0.39 -0.19 0.00 0.33 0.00 0.00 56.93 56.68 1xsb s PHE 81 Cb 0.00 -1.98 0.06 0.00 -1.31 0.00 0.00 43.02 39.80 1xsb s PHE 81 CO 0.00 -0.12 0.61 0.21 1.83 0.00 0.00 175.22 177.75 1xsb s LYS 82 N 0.54 0.68 -0.20 10.12 2.20 -1.26 -4.63 119.74 127.19 1xsb s LYS 82 Ca -0.03 0.93 -0.27 0.00 -0.36 0.00 0.00 55.97 56.24 1xsb s LYS 82 Cb -0.14 0.26 0.09 0.00 -1.51 0.00 0.00 37.83 36.52 1xsb s LYS 82 CO 0.03 -0.11 0.80 0.50 -0.36 0.00 0.00 175.35 176.21 1xsb s ARG 83 N 0.75 0.81 -0.04 4.03 3.52 -1.24 -5.02 118.95 121.75 1xsb s ARG 83 Ca -0.03 0.61 0.06 0.00 -0.13 0.00 0.00 55.73 56.23 1xsb s ARG 83 Cb -0.05 0.39 -0.01 0.00 -1.56 0.00 0.00 34.95 33.72 1xsb s ARG 83 CO -0.05 -0.17 -0.22 -1.83 -0.81 0.00 0.00 175.30 172.22 1xsb s GLU 84 N -0.28 2.13 -0.32 5.12 1.03 -1.24 -0.49 118.70 124.64 1xsb s GLU 84 Ca -0.03 -0.79 -0.18 0.00 0.03 0.00 0.00 54.97 54.00 1xsb s GLU 84 Cb -0.03 -1.88 -0.01 0.00 -0.80 0.00 0.00 34.13 31.41 1xsb s GLU 84 CO 0.02 0.37 0.50 -0.51 -1.33 0.00 0.00 175.26 174.32 1xsb s LEU 85 N -0.21 4.25 -0.18 1.83 1.43 0.37 -4.72 118.68 121.45 1xsb s LEU 85 Ca -0.00 0.12 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1xsb s LEU 85 Cb -0.12 -2.59 -0.02 0.00 0.03 0.00 0.00 46.19 43.50 1xsb s LEU 85 CO 0.02 -0.41 -0.06 0.20 0.23 0.00 0.00 176.35 176.33 1xsb s ASN 86 N 1.70 4.38 -0.01 2.29 0.02 -1.26 -0.95 114.94 121.12 1xsb s ASN 86 Ca 0.19 -0.30 -0.28 0.00 -1.02 0.00 0.00 52.86 51.45 1xsb s ASN 86 Cb -0.15 -1.72 0.10 0.00 0.02 0.00 0.00 41.25 39.49 1xsb s ASN 86 CO 0.12 0.08 0.86 -0.72 0.02 0.00 0.00 177.10 177.46 1xsb s TYR 87 N 0.87 -0.38 -0.37 2.20 -0.85 -1.12 -4.94 117.35 112.75 1xsb s TYR 87 Ca -0.01 0.31 -0.04 0.00 -0.52 0.00 0.00 57.07 56.81 1xsb s TYR 87 Cb -0.15 0.52 0.08 0.00 0.38 0.00 0.00 41.96 42.80 1xsb s TYR 87 CO 0.01 -0.56 0.15 0.54 -1.52 0.00 0.00 175.55 174.17 1xsb s VAL 88 N -2.87 3.43 0.00 -3.49 0.11 -1.26 -1.15 120.40 115.18 1xsb s VAL 88 Ca 0.03 -1.65 0.00 0.00 -2.93 0.00 0.00 61.98 57.43 1xsb s VAL 88 Cb -0.01 -3.16 0.00 0.00 -1.53 0.00 0.00 36.38 31.69 1xsb s VAL 88 CO -0.07 -0.44 0.01 0.00 -3.33 0.00 0.00 175.10 171.27 1xsb n ALA 89 N 4.68 0.00 0.14 1.54 0.00 -1.25 -4.59 120.51 121.04 1xsb n ALA 89 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.23 1xsb n ALA 89 Cb 0.43 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.80 1xsb n ALA 89 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1xsb h ARG 90 N 0.00 -0.30 0.00 0.00 0.11 -2.05 -3.43 114.38 108.71 1xsb h ARG 90 Ca 0.00 0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1xsb h ARG 90 Cb 0.00 0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.15 1xsb h ARG 90 CO 0.00 -0.20 0.00 -1.71 0.10 0.00 0.00 179.97 178.16 1xsb n ASN 91 N -5.23 0.00 -3.73 0.08 5.15 -1.26 -5.13 115.26 105.14 1xsb n ASN 91 Ca -0.09 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.73 1xsb n ASN 91 Cb 0.16 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.24 1xsb n ASN 91 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1xsb s LYS 92 N 0.00 -0.03 -0.04 1.20 2.47 -1.26 -5.08 119.74 117.01 1xsb s LYS 92 Ca 0.00 0.30 -0.30 0.00 -1.56 0.00 0.00 55.97 54.41 1xsb s LYS 92 Cb 0.00 -0.32 -0.04 0.00 -1.46 0.00 0.00 37.83 36.01 1xsb s LYS 92 CO 0.00 -0.23 1.26 -1.25 0.16 0.00 0.00 175.35 175.29 1xsb s PRO 93 N 1.51 4.33 -0.12 4.03 0.04 -1.26 -3.79 135.00 139.75 1xsb s PRO 93 Ca -0.04 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.77 1xsb s PRO 93 Cb -0.12 -3.56 -0.01 0.00 0.04 0.00 0.00 34.50 30.85 1xsb s PRO 93 CO -0.04 -0.48 -0.17 0.15 0.04 0.00 0.00 177.00 176.50 1xsb s LYS 94 N 2.25 3.23 -0.37 4.56 1.02 -0.30 0.87 119.74 130.99 1xsb s LYS 94 Ca 0.58 -0.76 -0.17 0.00 0.02 0.00 0.00 55.97 55.64 1xsb s LYS 94 Cb -0.27 -2.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 1xsb s LYS 94 CO 0.23 0.21 0.46 0.99 -0.92 0.00 0.00 175.35 176.33 1xsb s THR 95 N 0.31 5.06 -0.26 2.17 2.01 -0.27 -2.79 115.64 121.87 1xsb s THR 95 Ca -0.13 0.06 -0.07 0.00 0.31 0.00 0.00 61.69 61.85 1xsb s THR 95 Cb -0.17 -3.96 -0.02 0.00 0.01 0.00 0.00 72.50 68.36 1xsb s THR 95 CO 0.07 -0.26 0.07 -0.69 -0.69 0.00 0.00 174.62 173.12 1xsb s VAL 96 N 2.25 4.22 -0.17 3.82 1.01 -0.13 -1.02 120.40 130.39 1xsb s VAL 96 Ca 0.15 -0.29 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 1xsb s VAL 96 Cb -0.16 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.16 1xsb s VAL 96 CO 0.13 0.28 0.29 -0.63 0.00 0.00 0.00 175.10 175.17 1xsb s ILE 97 N 1.59 5.31 -0.09 2.22 -1.09 -0.91 0.14 121.20 128.36 1xsb s ILE 97 Ca 0.06 0.52 0.03 0.00 -2.23 0.00 0.00 60.65 59.03 1xsb s ILE 97 Cb -0.15 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.09 1xsb s ILE 97 CO 0.03 0.38 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.63 1xsb s TYR 98 N 0.58 2.66 -0.03 3.97 2.02 0.35 -2.29 117.35 124.61 1xsb s TYR 98 Ca 0.16 -0.64 0.04 0.00 -0.37 0.00 0.00 57.07 56.27 1xsb s TYR 98 Cb -0.13 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.68 1xsb s TYR 98 CO 0.04 -0.17 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.12 1xsb s TRP 99 N 0.02 2.67 0.23 2.71 0.51 -1.25 -3.71 118.94 120.12 1xsb s TRP 99 Ca -0.06 -0.18 -0.30 0.00 -2.12 0.00 0.00 56.10 53.44 1xsb s TRP 99 Cb -0.15 -1.59 -0.09 0.00 -0.81 0.00 0.00 33.47 30.83 1xsb s TRP 99 CO 0.05 0.19 1.05 -0.51 -0.51 0.00 0.00 176.95 177.22 1xsb s LEU 100 N -0.88 4.56 0.04 2.99 1.43 -1.26 -1.62 118.68 123.95 1xsb s LEU 100 Ca 0.12 2.11 -0.00 0.00 -1.03 0.00 0.00 54.13 55.33 1xsb s LEU 100 Cb -0.11 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1xsb s LEU 100 CO 0.02 -0.07 -0.04 0.00 0.23 0.00 0.00 176.35 176.49 1xsb s ALA 101 N -0.87 0.39 -0.09 4.21 0.00 0.20 -0.37 121.76 125.23 1xsb s ALA 101 Ca 0.45 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.49 1xsb s ALA 101 Cb -0.29 0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.04 1xsb s ALA 101 CO 0.36 -0.24 -0.11 -2.00 0.00 0.00 0.00 175.76 173.77 1xsb s GLU 102 N -2.71 1.71 0.01 0.00 2.12 -0.73 0.40 118.70 119.49 1xsb s GLU 102 Ca -0.03 -0.37 -0.30 0.00 0.36 0.00 0.00 54.97 54.63 1xsb s GLU 102 Cb -0.01 -1.56 -0.03 0.00 0.26 0.00 0.00 34.13 32.78 1xsb s GLU 102 CO -0.05 -0.12 0.97 0.14 -0.54 0.00 0.00 175.26 175.66 1xsb s VAL 103 N 1.17 4.85 0.20 3.70 -7.23 -1.26 -0.03 120.40 121.79 1xsb s VAL 103 Ca -0.05 2.05 -0.10 0.00 -1.81 0.00 0.00 61.98 62.06 1xsb s VAL 103 Cb -0.14 -4.31 0.13 0.00 0.56 0.00 0.00 36.38 32.61 1xsb s VAL 103 CO -0.03 0.17 1.82 0.11 -0.31 0.00 0.00 175.10 176.87 1xsb h LYS 104 N 6.70 0.69 -6.10 4.82 1.57 -1.10 -3.42 116.57 119.73 1xsb h LYS 104 Ca -0.41 -0.04 -0.59 0.00 -1.87 0.00 0.00 60.65 57.73 1xsb h LYS 104 Cb 1.22 -0.16 -0.05 0.00 0.08 0.00 0.00 32.23 33.33 1xsb h LYS 104 CO 0.75 0.46 -0.23 0.34 -0.57 0.00 0.00 179.45 180.20 1xsb s ASP 105 N -5.63 6.69 0.05 0.86 2.15 -1.26 -4.98 116.67 114.54 1xsb s ASP 105 Ca -0.13 0.84 -0.18 0.00 0.43 0.00 0.00 52.55 53.51 1xsb s ASP 105 Cb 0.15 -2.20 -0.14 0.00 -0.30 0.00 0.00 42.92 40.43 1xsb s ASP 105 CO 0.76 0.20 1.32 0.22 -0.17 0.00 0.00 175.17 177.50 1xsb h TYR 106 N 3.91 0.61 -0.64 -5.34 3.20 -2.01 -2.77 116.97 113.94 1xsb h TYR 106 Ca -0.50 -0.21 -0.19 0.00 3.14 0.00 0.00 58.73 60.97 1xsb h TYR 106 Cb 1.20 -0.12 -0.11 0.00 1.54 0.00 0.00 36.73 39.24 1xsb h TYR 106 CO 0.67 0.92 0.24 -0.40 -1.64 0.00 0.00 178.16 177.95 1xsb n ASP 107 N -4.38 4.43 -3.79 -2.11 3.85 -1.26 -4.99 116.55 108.29 1xsb n ASP 107 Ca -0.06 -3.03 -0.35 0.00 -0.71 0.00 0.00 54.79 50.64 1xsb n ASP 107 Cb 0.46 -0.71 0.02 0.00 -1.35 0.00 0.00 41.12 39.54 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 1xsb n VAL 108 N -0.08 0.00 -2.35 2.12 3.14 -1.05 -4.79 118.33 115.33 1xsb n VAL 108 Ca 0.35 -0.46 -0.37 0.00 -2.96 0.00 0.00 64.34 60.91 1xsb n VAL 108 Cb 1.24 0.00 -0.02 0.00 -1.06 0.00 0.00 33.84 34.01 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 -1.35 3.84 -0.20 1.45 -1.05 -1.26 -5.02 118.70 115.11 1xsb s GLU 109 Ca 0.45 1.68 0.01 0.00 -0.15 0.00 0.00 54.97 56.95 1xsb s GLU 109 Cb -0.32 -2.41 0.04 0.00 -0.44 0.00 0.00 34.13 31.01 1xsb s GLU 109 CO 0.68 -0.46 -0.09 0.42 0.95 0.00 0.00 175.26 176.76 1xsb s ILE 110 N -1.61 1.57 -0.33 1.83 -1.09 -1.25 -4.34 121.20 115.98 1xsb s ILE 110 Ca 0.63 -0.97 -0.06 0.00 -2.23 0.00 0.00 60.65 58.01 1xsb s ILE 110 Cb -0.26 -1.67 0.04 0.00 -1.58 0.00 0.00 42.46 38.99 1xsb s ILE 110 CO 0.32 0.15 0.10 -0.13 -1.23 0.00 0.00 174.94 174.15 1xsb s ARG 111 N 1.43 2.66 0.04 2.79 0.52 2.84 -4.87 118.95 124.36 1xsb s ARG 111 Ca -0.01 -1.15 -0.04 0.00 -0.52 0.00 0.00 55.73 54.01 1xsb s ARG 111 Cb -0.16 -3.45 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 1xsb s ARG 111 CO -0.08 -0.65 0.25 -0.51 0.02 0.00 0.00 175.30 174.33 1xsb s LEU 112 N 1.41 4.35 0.36 2.53 1.43 -1.26 -0.68 118.68 126.83 1xsb s LEU 112 Ca -0.01 0.43 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 1xsb s LEU 112 Cb -0.19 -2.83 -0.01 0.00 0.03 0.00 0.00 46.19 43.19 1xsb s LEU 112 CO 0.03 0.20 0.43 -0.44 0.23 0.00 0.00 176.35 176.81 1xsb s SER 113 N -2.08 5.63 0.50 2.29 0.01 -1.26 -4.89 113.70 113.89 1xsb s SER 113 Ca 0.31 -0.38 0.36 0.00 1.31 0.00 0.00 55.95 57.56 1xsb s SER 113 Cb -0.13 -0.97 1.51 0.00 0.21 0.00 0.00 66.02 66.65 1xsb s SER 113 CO 0.21 -0.51 1.69 -0.74 0.41 0.00 0.00 173.24 174.30 1xsb h HIS 114 N 0.95 0.23 -0.35 2.43 2.76 -1.99 1.44 115.15 120.62 1xsb h HIS 114 Ca -0.44 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 57.74 1xsb h HIS 114 Cb 1.26 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 30.14 1xsb h HIS 114 CO 0.46 -0.05 0.21 1.49 -1.30 0.00 0.00 177.93 178.74 1xsb h GLU 115 N 0.07 0.47 -5.31 5.26 4.81 -1.95 -3.41 114.58 114.52 1xsb h GLU 115 Ca 0.74 -0.03 -0.65 0.00 -0.13 0.00 0.00 59.36 59.29 1xsb h GLU 115 Cb 2.68 -0.10 -0.24 0.00 0.63 0.00 0.00 28.75 31.72 1xsb h GLU 115 CO -0.16 0.33 -0.72 -1.01 -0.73 0.00 0.00 179.01 176.72 1xsb s HIS 116 N -5.39 2.92 -0.06 0.92 3.76 0.49 -3.28 115.29 114.66 1xsb s HIS 116 Ca -0.08 -0.48 -0.08 0.00 -0.15 0.00 0.00 55.06 54.27 1xsb s HIS 116 Cb 0.17 -1.90 -0.29 0.00 1.11 0.00 0.00 32.58 31.67 1xsb s HIS 116 CO 0.73 -0.13 0.61 0.37 -0.85 0.00 0.00 174.74 175.47 1xsb h GLN 117 N 6.70 0.34 -2.66 1.40 4.15 0.57 -3.36 115.11 122.25 1xsb h GLN 117 Ca -0.28 -0.58 0.08 0.00 0.77 0.00 0.00 58.65 58.64 1xsb h GLN 117 Cb 1.20 0.22 -0.10 0.00 0.21 0.00 0.00 27.48 29.01 1xsb h GLN 117 CO 0.59 1.25 0.35 0.00 -1.93 0.00 0.00 178.83 179.10 1xsb s ALA 118 N -2.58 -1.58 0.11 3.38 0.00 -1.18 -4.92 121.76 115.00 1xsb s ALA 118 Ca -0.17 0.34 0.05 0.00 0.00 0.00 0.00 51.96 52.18 1xsb s ALA 118 Cb 0.06 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1xsb s ALA 118 CO 0.83 -0.88 -0.12 1.52 0.00 0.00 0.00 175.76 177.11 1xsb s TYR 119 N -3.52 1.20 0.06 0.00 1.13 -1.26 0.53 117.35 115.49 1xsb s TYR 119 Ca 0.07 -0.61 0.03 0.00 -1.41 0.00 0.00 57.07 55.15 1xsb s TYR 119 Cb -0.02 -0.64 -0.03 0.00 -1.10 0.00 0.00 41.96 40.17 1xsb s TYR 119 CO -0.04 0.06 -0.09 1.03 -2.51 0.00 0.00 175.55 174.00 1xsb s ARG 120 N -2.74 0.66 -0.38 -3.49 0.52 -0.72 -4.96 118.95 107.84 1xsb s ARG 120 Ca 0.07 -0.90 -0.08 0.00 -0.52 0.00 0.00 55.73 54.30 1xsb s ARG 120 Cb -0.04 -0.43 0.06 0.00 0.52 0.00 0.00 34.95 35.06 1xsb s ARG 120 CO 0.01 0.08 0.19 -1.58 0.02 0.00 0.00 175.30 174.02 1xsb s TRP 121 N -1.68 3.31 0.35 -0.53 0.52 -1.26 -3.20 118.94 116.44 1xsb s TRP 121 Ca -0.04 -1.47 0.03 0.00 0.02 0.00 0.00 56.10 54.64 1xsb s TRP 121 Cb -0.08 -2.63 -0.05 0.00 -1.15 0.00 0.00 33.47 29.56 1xsb s TRP 121 CO 0.00 -0.78 0.09 -0.51 0.02 0.00 0.00 176.95 175.77 1xsb s LEU 122 N 1.42 2.02 0.00 2.99 1.02 -1.25 -4.95 118.68 119.94 1xsb s LEU 122 Ca 0.01 -1.50 -0.07 0.00 0.02 0.00 0.00 54.13 52.59 1xsb s LEU 122 Cb -0.21 -0.21 0.15 0.00 0.02 0.00 0.00 46.19 45.93 1xsb s LEU 122 CO 0.03 -0.76 0.92 0.61 0.02 0.00 0.00 176.35 177.17 1xsb n GLY 123 N -0.75 -0.49 0.34 -3.19 0.00 -1.26 -1.68 105.19 98.16 1xsb n GLY 123 Ca -0.04 -1.84 0.01 0.00 0.00 0.00 0.00 46.02 44.15 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 0.94 0.28 0.99 5.85 -1.95 0.39 115.31 121.81 1xsb h LEU 124 Ca -0.30 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1xsb h LEU 124 Cb 0.93 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1xsb h LEU 124 CO 0.25 0.61 -0.29 1.05 -0.34 0.00 0.00 178.44 179.73 1xsb h GLU 125 N 1.08 -0.58 -0.10 1.25 4.11 -1.95 0.65 114.58 119.04 1xsb h GLU 125 Ca 0.39 0.04 -0.07 0.00 0.07 0.00 0.00 59.36 59.79 1xsb h GLU 125 Cb 0.12 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1xsb h GLU 125 CO -0.16 -0.39 -0.21 0.93 0.07 0.00 0.00 179.01 179.25 1xsb h GLU 126 N -0.61 0.32 -0.80 1.06 3.07 -1.87 0.26 114.58 116.02 1xsb h GLU 126 Ca -0.01 -0.21 0.18 0.00 -0.50 0.00 0.00 59.36 58.82 1xsb h GLU 126 Cb 0.56 0.03 -0.05 0.00 -0.84 0.00 0.00 28.75 28.45 1xsb h GLU 126 CO -0.06 0.81 0.54 0.00 -1.40 0.00 0.00 179.01 178.89 1xsb h ALA 127 N 0.51 2.27 0.10 3.43 0.00 -0.11 0.63 119.26 126.10 1xsb h ALA 127 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.62 1xsb h ALA 127 Cb 0.80 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.60 1xsb h ALA 127 CO 0.05 -0.51 -1.22 0.00 0.00 0.00 0.00 179.25 177.57 1xsb h GLN 129 N 0.29 0.04 -0.21 0.00 -0.00 0.33 -2.98 115.11 112.57 1xsb h GLN 129 Ca -0.18 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.65 58.44 1xsb h GLN 129 Cb 1.89 -0.01 -0.01 0.00 -0.00 0.00 0.00 27.48 29.35 1xsb h GLN 129 CO 0.23 0.15 0.05 -0.07 -0.00 0.00 0.00 178.83 179.19 1xsb h LEU 130 N -0.09 0.32 -4.57 0.06 3.38 -0.04 -2.98 115.31 111.38 1xsb h LEU 130 Ca 0.01 -0.24 -0.36 0.00 0.09 0.00 0.00 57.88 57.38 1xsb h LEU 130 Cb 0.13 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1xsb h LEU 130 CO -0.00 0.48 1.44 0.00 0.09 0.00 0.00 178.44 180.44 1xsb n ALA 131 N -2.29 6.21 -0.38 1.53 0.00 -0.34 -3.89 120.51 121.37 1xsb n ALA 131 Ca -0.04 -2.29 0.33 0.00 0.00 0.00 0.00 53.44 51.44 1xsb n ALA 131 Cb 0.18 -2.75 0.56 0.00 0.00 0.00 0.00 19.45 17.44 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 3.10 -0.03 -1.68 0.00 0.00 -1.13 -3.73 117.38 113.91 1xsb n GLN 132 Ca 0.52 1.08 -0.46 0.00 0.00 0.00 0.00 57.00 58.14 1xsb n GLN 132 Cb 0.53 -2.09 -0.04 0.00 0.00 0.00 0.00 30.24 28.64 1xsb n GLN 132 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1xsb n PHE 133 N -4.48 2.38 -0.17 2.61 3.01 -1.26 -4.83 117.46 114.73 1xsb n PHE 133 Ca 0.34 0.04 0.07 0.00 1.01 0.00 0.00 57.45 58.91 1xsb n PHE 133 Cb 1.29 -2.64 0.37 0.00 -0.01 0.00 0.00 39.48 38.48 1xsb n PHE 133 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1xsb h LYS 134 N 8.06 0.68 -0.75 -1.08 3.64 -1.96 -1.04 116.57 124.12 1xsb h LYS 134 Ca -0.47 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 58.96 1xsb h LYS 134 Cb 1.25 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.85 1xsb h LYS 134 CO 0.93 0.45 0.39 0.93 -2.27 0.00 0.00 179.45 179.88 1xsb h GLU 135 N 0.71 0.64 0.08 1.90 5.08 -1.89 0.74 114.58 121.83 1xsb h GLU 135 Ca 0.31 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 1xsb h GLU 135 Cb 0.29 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.41 1xsb h GLU 135 CO -0.10 0.42 -0.49 0.52 -1.00 0.00 0.00 179.01 178.36 1xsb h MET 136 N 0.66 0.20 -0.78 2.33 2.86 -1.62 0.43 114.93 119.01 1xsb h MET 136 Ca 0.37 -0.32 0.13 0.00 -2.06 0.00 0.00 59.70 57.82 1xsb h MET 136 Cb 0.38 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 32.10 1xsb h MET 136 CO -0.27 1.13 0.51 0.87 1.06 0.00 0.00 176.91 180.22 1xsb h LYS 137 N -0.57 0.55 -0.01 1.72 1.57 -0.90 1.96 116.57 120.90 1xsb h LYS 137 Ca -0.08 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1xsb h LYS 137 Cb 1.36 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.55 1xsb h LYS 137 CO 0.09 0.36 -0.03 0.00 -0.57 0.00 0.00 179.45 179.31 1xsb h ALA 138 N 1.63 0.01 -0.29 3.86 0.00 0.55 0.65 119.26 125.67 1xsb h ALA 138 Ca 0.38 -0.34 0.04 0.00 0.00 0.00 0.00 54.91 54.99 1xsb h ALA 138 Cb 0.68 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1xsb h ALA 138 CO -0.14 -0.14 0.07 0.00 0.00 0.00 0.00 179.25 179.04 1xsb h ALA 139 N 0.36 0.31 -0.01 0.00 0.00 0.17 1.56 119.26 121.65 1xsb h ALA 139 Ca -0.00 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1xsb h ALA 139 Cb 0.68 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1xsb h ALA 139 CO 0.01 -0.34 -0.23 -0.07 0.00 0.00 0.00 179.25 178.62 1xsb h LEU 140 N 0.19 0.01 0.06 0.00 3.38 0.30 -0.14 115.31 119.11 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 0.13 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1xsb h LEU 140 CO -0.16 0.24 -0.03 1.56 0.09 0.00 0.00 178.44 180.14 1xsb h GLN 141 N 0.01 -0.08 -0.28 1.13 1.08 0.42 -2.87 115.11 114.52 1xsb h GLN 141 Ca -0.00 0.01 -0.12 0.00 -1.45 0.00 0.00 58.65 57.08 1xsb h GLN 141 Cb 0.41 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.85 1xsb h GLN 141 CO 0.03 0.51 -0.34 0.93 -0.95 0.00 0.00 178.83 179.02 1xsb h GLU 142 N -0.79 0.61 -0.40 1.46 5.08 0.21 -1.10 114.58 119.66 1xsb h GLU 142 Ca -0.01 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1xsb h GLU 142 Cb 0.63 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1xsb h GLU 142 CO 0.01 0.87 0.22 0.78 -1.00 0.00 0.00 179.01 179.89 1xsb h GLY 143 N 1.02 0.55 0.94 -3.84 0.00 -1.11 0.41 103.07 101.03 1xsb h GLY 143 Ca 0.06 -0.16 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 1xsb h GLY 143 CO 0.07 0.13 0.08 0.84 0.00 0.00 0.00 176.54 177.65 1xsb h HIS 144 N 0.44 0.70 -0.59 5.60 -0.00 -1.34 -1.04 115.15 118.92 1xsb h HIS 144 Ca 0.16 -0.09 0.02 0.00 -0.00 0.00 0.00 60.37 60.46 1xsb h HIS 144 Cb 0.04 -0.19 -0.03 0.00 -0.00 0.00 0.00 27.41 27.22 1xsb h HIS 144 CO -0.08 0.69 0.37 0.37 -0.00 0.00 0.00 177.93 179.28 1xsb h GLN 145 N 0.52 0.73 0.08 5.26 5.75 -0.49 -1.77 115.11 125.19 1xsb h GLN 145 Ca 0.12 -0.04 -0.00 0.00 -0.15 0.00 0.00 58.65 58.58 1xsb h GLN 145 Cb 0.35 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.74 1xsb h GLN 145 CO 0.01 0.48 -0.04 0.35 -2.65 0.00 0.00 178.83 176.98 1xsb h PHE 146 N 0.75 -0.10 -0.92 3.99 3.04 -0.03 -3.09 116.94 120.58 1xsb h PHE 146 Ca 0.23 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.29 1xsb h PHE 146 Cb -0.02 0.03 -0.07 0.00 2.56 0.00 0.00 35.95 38.45 1xsb h PHE 146 CO -0.05 0.34 0.59 -0.07 -2.02 0.00 0.00 178.31 177.10 1xsb h LEU 147 N -0.60 0.81 -0.69 0.59 3.38 -1.13 0.63 115.31 118.30 1xsb h LEU 147 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xsb h LEU 147 Cb 0.49 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1xsb h LEU 147 CO 0.02 0.46 0.00 0.00 0.09 0.00 0.00 178.44 179.00 1xsb n SER 149 N -2.07 0.68 0.00 0.00 7.64 0.22 -4.82 113.62 115.27 1xsb n SER 149 Ca 0.01 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.42 1xsb n SER 149 Cb 0.16 0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 -1.21 0.00 0.00 0.44 5.41 -0.71 -5.05 119.36 118.23 1xsb n ILE 150 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1xsb n ILE 150 Cb 0.34 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.27 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 0.00 0.00 0.38 2.13 -1.26 -4.92 120.64 116.97 1xsb n GLU 151 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xsb n GLU 151 Cb 0.00 -0.34 0.00 0.00 0.27 0.00 0.00 31.44 31.37 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 -2.22 0.00 1.30 4.31 0.00 -1.26 -5.06 120.51 117.59 1xsb n ALA 152 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1xsb n ALA 152 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 1xsb n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39