#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsb h PRO 2 N 0.00 0.00 -0.71 1.61 0.13 -2.00 -3.10 132.00 127.93 1xsb h PRO 2 Ca 0.00 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.20 1xsb h PRO 2 Cb 0.00 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 1xsb h PRO 2 CO 0.00 0.05 0.47 -0.07 -0.23 0.00 0.00 178.00 178.22 1xsb h LEU 3 N 0.00 0.61 -1.60 1.56 3.38 -2.02 -0.17 115.31 117.07 1xsb h LEU 3 Ca -0.00 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.06 1xsb h LEU 3 Cb 0.66 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.25 1xsb h LEU 3 CO 0.01 0.39 0.40 1.23 0.09 0.00 0.00 178.44 180.55 1xsb h GLY 4 N 0.70 0.63 -1.62 0.83 0.00 -1.96 -3.42 103.07 98.22 1xsb h GLY 4 Ca 0.31 -0.19 -0.53 0.00 0.00 0.00 0.00 47.33 46.92 1xsb h GLY 4 CO -0.10 0.13 0.35 -0.56 0.00 0.00 0.00 176.54 176.35 1xsb s SER 5 N -6.29 3.69 0.01 0.19 0.01 -0.08 -4.97 113.70 106.27 1xsb s SER 5 Ca -0.08 2.35 -0.21 0.00 1.31 0.00 0.00 55.95 59.32 1xsb s SER 5 Cb 0.19 -2.59 -0.06 0.00 0.21 0.00 0.00 66.02 63.78 1xsb s SER 5 CO 0.75 -2.60 0.60 -0.32 0.41 0.00 0.00 173.24 172.09 1xsb s MET 6 N -4.13 4.31 0.03 12.44 1.75 -1.26 -4.89 119.30 127.55 1xsb s MET 6 Ca 0.73 0.76 0.00 0.00 -1.25 0.00 0.00 55.69 55.93 1xsb s MET 6 Cb -0.28 -3.33 0.00 0.00 2.84 0.00 0.00 34.83 34.06 1xsb s MET 6 CO 0.50 0.41 0.00 0.00 -0.65 0.00 0.00 175.02 175.27 1xsb n ALA 7 N 2.57 -0.17 -2.84 4.11 0.00 -1.26 -4.93 120.51 117.99 1xsb n ALA 7 Ca -0.07 0.04 -0.36 0.00 0.00 0.00 0.00 53.44 53.05 1xsb n ALA 7 Cb 0.51 -0.07 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 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 -4.28 4.31 0.07 0.00 1.02 -0.77 -4.98 118.68 114.05 1xsb s LEU 8 Ca 0.00 0.40 -0.24 0.00 0.02 0.00 0.00 54.13 54.31 1xsb s LEU 8 Cb 0.00 -2.06 -0.06 0.00 0.02 0.00 0.00 46.19 44.09 1xsb s LEU 8 CO 0.00 0.36 0.74 -0.60 0.02 0.00 0.00 176.35 176.87 1xsb s ARG 9 N -0.71 4.48 0.03 1.70 3.52 -1.26 -1.88 118.95 124.82 1xsb s ARG 9 Ca 0.13 1.04 -0.05 0.00 -0.13 0.00 0.00 55.73 56.72 1xsb s ARG 9 Cb -0.12 -3.33 -0.01 0.00 -1.56 0.00 0.00 34.95 29.93 1xsb s ARG 9 CO 0.03 0.37 0.08 0.00 -0.81 0.00 0.00 175.30 174.97 1xsb s ALA 10 N -0.36 -0.08 -0.09 6.12 0.00 0.69 -3.60 121.76 124.44 1xsb s ALA 10 Ca 0.37 -0.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 1xsb s ALA 10 Cb -0.21 0.20 0.05 0.00 0.00 0.00 0.00 23.12 23.16 1xsb s ALA 10 CO 0.23 -0.26 0.19 0.00 0.00 0.00 0.00 175.76 175.92 1xsb s GLY 12 N 1.95 2.78 -0.18 0.00 0.00 -0.94 -3.32 107.32 107.62 1xsb s GLY 12 Ca -0.02 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 43.72 1xsb s GLY 12 CO -0.07 -2.07 -0.15 1.08 0.00 0.00 0.00 173.10 171.89 1xsb s LEU 13 N -3.76 2.07 -0.57 0.66 1.43 -1.09 -3.84 118.68 113.58 1xsb s LEU 13 Ca 0.17 -0.68 -0.25 0.00 -1.03 0.00 0.00 54.13 52.34 1xsb s LEU 13 Cb 0.04 -1.33 0.04 0.00 0.03 0.00 0.00 46.19 44.97 1xsb s LEU 13 CO 0.09 -0.06 0.99 -0.63 0.23 0.00 0.00 176.35 176.97 1xsb s ILE 14 N 1.37 4.31 -0.03 -0.59 1.01 -0.58 -4.26 121.20 122.42 1xsb s ILE 14 Ca 0.03 0.30 -0.12 0.00 0.00 0.00 0.00 60.65 60.86 1xsb s ILE 14 Cb -0.14 -4.59 -0.05 0.00 0.01 0.00 0.00 42.46 37.69 1xsb s ILE 14 CO -0.11 -1.21 0.33 -0.63 0.00 0.00 0.00 174.94 173.32 1xsb s ILE 15 N 4.16 5.18 -0.05 2.92 1.01 -1.26 0.88 121.20 134.05 1xsb s ILE 15 Ca 0.31 0.63 -0.01 0.00 0.00 0.00 0.00 60.65 61.58 1xsb s ILE 15 Cb -0.12 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.76 1xsb s ILE 15 CO 0.19 0.58 0.03 0.72 0.00 0.00 0.00 174.94 176.46 1xsb s PHE 16 N -1.08 0.31 -0.27 3.97 -0.71 1.49 -1.92 117.98 119.78 1xsb s PHE 16 Ca 0.21 0.06 -0.25 0.00 -1.04 0.00 0.00 56.93 55.92 1xsb s PHE 16 Cb -0.15 -0.57 -0.00 0.00 -1.21 0.00 0.00 43.02 41.09 1xsb s PHE 16 CO 0.11 -0.23 0.85 0.50 -1.34 0.00 0.00 175.22 175.11 1xsb s ARG 17 N 1.87 4.09 0.02 1.99 6.06 0.13 -3.88 118.95 129.24 1xsb s ARG 17 Ca 0.02 0.84 -0.11 0.00 -2.50 0.00 0.00 55.73 53.99 1xsb s ARG 17 Cb -0.12 -3.68 -0.05 0.00 0.06 0.00 0.00 34.95 31.15 1xsb s ARG 17 CO -0.04 -0.62 0.36 0.50 -2.50 0.00 0.00 175.30 173.00 1xsb s ARG 18 N 2.98 3.75 0.35 5.12 3.52 -1.26 -2.85 118.95 130.56 1xsb s ARG 18 Ca 0.35 0.18 -0.03 0.00 -0.13 0.00 0.00 55.73 56.11 1xsb s ARG 18 Cb -0.14 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.10 1xsb s ARG 18 CO 0.10 0.64 0.60 0.00 -0.81 0.00 0.00 175.30 175.83 1xsb h LEU 20 N 1.05 0.82 -8.00 0.00 5.85 -1.98 -3.43 115.31 109.62 1xsb h LEU 20 Ca -0.48 0.07 -0.11 0.00 0.84 0.00 0.00 57.88 58.20 1xsb h LEU 20 Cb 1.20 -0.09 -0.15 0.00 0.37 0.00 0.00 40.66 41.99 1xsb h LEU 20 CO 0.63 0.38 -0.53 0.27 -0.34 0.00 0.00 178.44 178.85 1xsb s ILE 21 N -5.93 0.17 0.55 4.05 -5.25 -1.26 -5.14 121.20 108.39 1xsb s ILE 21 Ca -0.12 -1.39 -0.21 0.00 -0.99 0.00 0.00 60.65 57.94 1xsb s ILE 21 Cb 0.23 -1.27 -0.05 0.00 2.95 0.00 0.00 42.46 44.32 1xsb s ILE 21 CO 0.80 -0.77 1.25 -2.65 -1.79 0.00 0.00 174.94 171.79 1xsb n PRO 22 N 0.25 1.49 0.00 0.37 -0.02 -1.26 -5.00 135.00 130.83 1xsb n PRO 22 Ca -0.16 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.87 1xsb n PRO 22 Cb 0.61 -2.45 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 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 -0.96 0.00 -0.20 -0.52 4.01 -1.26 -4.82 118.16 114.41 1xsb n LYS 23 Ca 0.11 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 57.99 1xsb n LYS 23 Cb 0.45 -0.17 0.17 0.00 -0.51 0.00 0.00 35.03 34.96 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 -1.86 1.83 -3.67 -0.18 0.31 -1.26 -4.96 118.33 108.54 1xsb n VAL 24 Ca 0.00 -1.85 -0.24 0.00 -0.01 0.00 0.00 64.34 62.23 1xsb n VAL 24 Cb 0.00 -0.08 0.06 0.00 -0.91 0.00 0.00 33.84 32.91 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 -0.81 -4.65 0.13 4.52 10.43 -1.26 -4.70 116.55 120.21 1xsb n ASP 25 Ca 0.15 -0.65 0.00 0.00 2.57 0.00 0.00 54.79 56.86 1xsb n ASP 25 Cb 0.66 -4.63 0.00 0.00 1.84 0.00 0.00 41.12 38.99 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 -2.99 -2.37 -0.70 -2.24 2.85 -1.26 -4.90 115.26 103.65 1xsb n ASN 26 Ca -0.07 0.55 0.03 0.00 -0.11 0.00 0.00 54.58 54.99 1xsb n ASN 26 Cb 0.58 2.39 0.13 0.00 1.24 0.00 0.00 39.78 44.12 1xsb n ASN 26 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1xsb n ASN 27 N -3.02 1.94 -0.16 1.20 0.23 -1.26 -4.19 115.26 110.00 1xsb n ASN 27 Ca 0.00 -2.14 0.09 0.00 -0.53 0.00 0.00 54.58 52.00 1xsb n ASN 27 Cb 0.00 -0.34 0.40 0.00 -2.08 0.00 0.00 39.78 37.76 1xsb n ASN 27 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xsb h ALA 28 N 3.16 1.80 -3.68 -2.53 0.00 -1.93 -3.40 119.26 112.68 1xsb h ALA 28 Ca 0.00 -0.01 -0.67 0.00 0.00 0.00 0.00 54.91 54.22 1xsb h ALA 28 Cb 0.64 -0.15 -0.24 0.00 0.00 0.00 0.00 17.79 18.03 1xsb h ALA 28 CO 0.07 0.06 -0.76 0.42 0.00 0.00 0.00 179.25 179.05 1xsb s ILE 29 N -5.60 3.15 0.18 0.00 1.01 -1.26 -3.75 121.20 114.94 1xsb s ILE 29 Ca -0.09 -0.66 0.10 0.00 0.00 0.00 0.00 60.65 60.00 1xsb s ILE 29 Cb 0.20 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 1xsb s ILE 29 CO 0.77 0.56 -0.21 -1.61 0.00 0.00 0.00 174.94 174.45 1xsb s GLU 30 N -0.25 1.41 0.17 2.79 2.02 -1.13 -3.99 118.70 119.72 1xsb s GLU 30 Ca 0.02 -1.48 0.10 0.00 0.02 0.00 0.00 54.97 53.63 1xsb s GLU 30 Cb -0.13 -1.59 -0.04 0.00 0.10 0.00 0.00 34.13 32.47 1xsb s GLU 30 CO 0.03 0.33 -0.18 -0.06 0.02 0.00 0.00 175.26 175.41 1xsb s PHE 31 N -1.89 2.47 -0.08 1.61 0.08 -0.42 0.20 117.98 119.95 1xsb s PHE 31 Ca 0.19 -0.29 -0.26 0.00 0.12 0.00 0.00 56.93 56.68 1xsb s PHE 31 Cb -0.07 -1.24 -0.03 0.00 -0.57 0.00 0.00 43.02 41.12 1xsb s PHE 31 CO 0.09 0.47 0.85 -1.17 -0.10 0.00 0.00 175.22 175.36 1xsb s LEU 32 N -2.60 4.29 -0.05 -0.37 2.96 -0.81 -3.66 118.68 118.44 1xsb s LEU 32 Ca 0.21 1.35 0.03 0.00 -0.22 0.00 0.00 54.13 55.51 1xsb s LEU 32 Cb -0.09 -3.31 0.01 0.00 0.50 0.00 0.00 46.19 43.30 1xsb s LEU 32 CO 0.12 -0.27 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.99 1xsb s LEU 33 N 1.35 1.74 -0.05 -0.68 1.43 -1.06 -4.51 118.68 116.91 1xsb s LEU 33 Ca 0.43 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1xsb s LEU 33 Cb -0.18 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.17 1xsb s LEU 33 CO 0.19 0.07 0.01 -0.76 0.23 0.00 0.00 176.35 176.10 1xsb s LEU 34 N 0.44 3.62 -0.22 1.79 1.43 -1.06 -1.28 118.68 123.40 1xsb s LEU 34 Ca -0.10 0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.00 1xsb s LEU 34 Cb -0.14 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.08 1xsb s LEU 34 CO 0.03 0.33 0.14 -1.58 0.23 0.00 0.00 176.35 175.50 1xsb s GLN 35 N -1.23 4.09 0.52 1.70 0.74 0.44 -2.27 119.66 123.66 1xsb s GLN 35 Ca 0.17 -0.26 -0.22 0.00 0.05 0.00 0.00 55.36 55.09 1xsb s GLN 35 Cb -0.11 -3.46 -0.07 0.00 1.10 0.00 0.00 33.01 30.47 1xsb s GLN 35 CO 0.07 0.16 1.23 0.00 -0.55 0.00 0.00 175.29 176.20 1xsb n ALA 36 N 3.95 1.12 1.84 1.58 0.00 -1.14 -1.40 120.51 126.47 1xsb n ALA 36 Ca -0.16 0.14 0.16 0.00 0.00 0.00 0.00 53.44 53.59 1xsb n ALA 36 Cb 0.52 -2.26 0.87 0.00 0.00 0.00 0.00 19.45 18.58 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 -0.54 0.14 -0.79 0.00 3.41 1.16 -4.46 113.62 112.56 1xsb n SER 37 Ca 0.10 -0.88 0.00 0.00 -0.26 0.00 0.00 58.87 57.83 1xsb n SER 37 Cb 0.43 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 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 -0.95 0.00 0.00 4.04 5.68 -1.26 -4.95 116.55 119.10 1xsb n ASP 38 Ca 0.22 -0.79 0.00 0.00 -0.50 0.00 0.00 54.79 53.72 1xsb n ASP 38 Cb 0.16 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1xsb n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsb n GLY 39 N 0.00 1.51 0.68 6.12 0.00 -1.26 -2.65 105.19 109.60 1xsb n GLY 39 Ca 0.00 -0.64 0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 0.28 -3.46 -0.61 -5.35 -1.26 -4.92 119.36 104.04 1xsb n ILE 40 Ca 0.00 -0.43 -0.21 0.00 -0.27 0.00 0.00 62.75 61.84 1xsb n ILE 40 Cb 0.00 0.49 0.07 0.00 -1.74 0.00 0.00 39.64 38.46 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 0.57 -2.51 -1.53 4.28 8.25 -1.08 -4.97 115.22 118.23 1xsb n HIS 41 Ca 0.16 0.91 -0.31 0.00 -0.26 0.00 0.00 57.72 58.22 1xsb n HIS 41 Cb 0.38 -4.67 0.06 0.00 1.12 0.00 0.00 29.99 26.88 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 -3.29 2.98 -0.16 4.41 -3.43 -1.26 -4.58 115.29 109.95 1xsb s HIS 42 Ca 0.45 1.46 -0.07 0.00 -0.80 0.00 0.00 55.06 56.10 1xsb s HIS 42 Cb -0.20 -2.93 -0.04 0.00 -1.43 0.00 0.00 32.58 27.99 1xsb s HIS 42 CO 0.66 -1.36 0.06 -1.58 -2.00 0.00 0.00 174.74 170.52 1xsb s TRP 43 N -2.97 3.27 -0.06 0.38 0.52 -1.26 -2.87 118.94 115.94 1xsb s TRP 43 Ca 0.59 0.12 -0.23 0.00 0.02 0.00 0.00 56.10 56.60 1xsb s TRP 43 Cb -0.15 -2.02 0.05 0.00 -1.15 0.00 0.00 33.47 30.20 1xsb s TRP 43 CO 0.54 0.25 0.53 0.95 0.02 0.00 0.00 176.95 179.24 1xsb s THR 44 N 0.07 0.02 0.90 2.01 -4.23 -0.96 -4.44 115.64 109.01 1xsb s THR 44 Ca 0.05 -0.17 -0.11 0.00 -1.18 0.00 0.00 61.69 60.28 1xsb s THR 44 Cb -0.12 -0.83 0.13 0.00 1.34 0.00 0.00 72.50 73.02 1xsb s THR 44 CO 0.01 -0.09 1.10 -2.16 -0.54 0.00 0.00 174.62 172.93 1xsb s PRO 45 N -1.02 1.19 -0.86 3.99 0.04 -1.26 -2.56 135.00 134.52 1xsb s PRO 45 Ca -0.10 1.05 -0.27 0.00 0.04 0.00 0.00 61.00 61.72 1xsb s PRO 45 Cb -0.02 -1.78 -0.19 0.00 0.04 0.00 0.00 34.50 32.54 1xsb s PRO 45 CO 0.07 -2.35 2.54 -2.30 0.04 0.00 0.00 177.00 174.99 1xsb n PRO 46 N -3.99 0.29 -3.86 0.56 -0.02 -1.26 -4.81 135.00 121.91 1xsb n PRO 46 Ca 0.08 -0.05 -0.37 0.00 -2.02 0.00 0.00 63.50 61.14 1xsb n PRO 46 Cb 0.54 -2.05 -0.06 0.00 -0.02 0.00 0.00 33.50 31.90 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 8.56 3.54 0.32 -0.52 1.02 -1.26 -2.69 119.74 128.71 1xsb s LYS 47 Ca 1.23 -0.14 -0.02 0.00 0.02 0.00 0.00 55.97 57.06 1xsb s LYS 47 Cb -0.87 -3.22 0.01 0.00 -0.52 0.00 0.00 37.83 33.23 1xsb s LYS 47 CO 0.42 0.72 0.46 0.41 -0.92 0.00 0.00 175.35 176.43 1xsb n GLY 48 N 2.19 2.14 3.47 -3.33 0.00 -1.21 -5.00 105.19 103.45 1xsb n GLY 48 Ca -0.19 -1.57 -0.33 0.00 0.00 0.00 0.00 46.02 43.93 1xsb n GLY 48 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xsb s HIS 49 N -3.13 2.79 0.00 1.61 2.46 -1.26 -2.76 115.29 115.01 1xsb s HIS 49 Ca 0.25 -0.25 -0.19 0.00 0.47 0.00 0.00 55.06 55.35 1xsb s HIS 49 Cb -0.01 -1.72 -0.06 0.00 -0.13 0.00 0.00 32.58 30.67 1xsb s HIS 49 CO 0.18 0.11 0.54 0.54 -2.47 0.00 0.00 174.74 173.64 1xsb s VAL 50 N -0.42 4.92 0.62 0.89 0.11 -1.24 -4.89 120.40 120.39 1xsb s VAL 50 Ca 0.05 1.13 -0.10 0.00 -2.93 0.00 0.00 61.98 60.13 1xsb s VAL 50 Cb -0.12 -3.87 0.15 0.00 -1.53 0.00 0.00 36.38 31.01 1xsb s VAL 50 CO 0.02 0.47 0.58 1.21 -3.33 0.00 0.00 175.10 174.05 1xsb n GLU 51 N 2.42 -1.94 0.00 1.54 2.13 -1.26 -4.90 120.64 118.63 1xsb n GLU 51 Ca -0.09 -0.92 0.00 0.00 0.66 0.00 0.00 57.16 56.81 1xsb n GLU 51 Cb 0.51 -0.83 0.00 0.00 0.27 0.00 0.00 31.44 31.39 1xsb n GLU 51 CO 0.00 0.00 0.00 -0.35 -0.41 0.00 0.00 177.13 176.37 1xsb n PRO 52 N -3.14 0.00 0.00 5.31 -0.04 -1.26 -3.67 135.00 132.20 1xsb n PRO 52 Ca 0.08 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 64.03 1xsb n PRO 52 Cb 0.30 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1xsb n PRO 52 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xsb n GLY 53 N 1.22 0.32 3.87 0.55 0.00 -1.26 -4.80 105.19 105.09 1xsb n GLY 53 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.45 3.81 0.71 1.61 2.12 -1.24 -5.06 118.70 119.19 1xsb s GLU 54 Ca 0.00 0.36 -0.11 0.00 0.36 0.00 0.00 54.97 55.58 1xsb s GLU 54 Cb 0.00 -2.54 0.01 0.00 0.26 0.00 0.00 34.13 31.86 1xsb s GLU 54 CO 0.00 0.19 1.07 0.34 -0.54 0.00 0.00 175.26 176.32 1xsb s ASP 55 N -2.64 5.34 -0.08 -1.70 -1.08 -1.26 -4.76 116.67 110.50 1xsb s ASP 55 Ca 0.49 1.43 -0.16 0.00 -0.52 0.00 0.00 52.55 53.80 1xsb s ASP 55 Cb -0.11 -2.30 -0.12 0.00 -1.46 0.00 0.00 42.92 38.94 1xsb s ASP 55 CO 0.24 -1.44 0.58 0.44 0.52 0.00 0.00 175.17 175.51 1xsb h ASP 56 N -0.72 -0.15 -0.52 -0.34 3.32 -1.97 -3.00 116.42 113.05 1xsb h ASP 56 Ca -0.45 -0.30 -0.04 0.00 0.02 0.00 0.00 57.03 56.26 1xsb h ASP 56 Cb 1.23 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 1xsb h ASP 56 CO 0.59 0.44 0.16 0.25 -1.72 0.00 0.00 179.24 178.96 1xsb h LEU 57 N -0.97 0.75 -0.94 1.55 5.85 -1.96 -2.64 115.31 116.96 1xsb h LEU 57 Ca -0.02 -0.21 0.12 0.00 0.84 0.00 0.00 57.88 58.61 1xsb h LEU 57 Cb 0.44 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.19 1xsb h LEU 57 CO 0.03 0.76 0.57 -0.33 -0.34 0.00 0.00 178.44 179.13 1xsb h GLU 58 N 0.71 0.87 -0.84 1.25 3.07 -1.97 0.61 114.58 118.28 1xsb h GLU 58 Ca 0.17 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 59.01 1xsb h GLU 58 Cb 0.28 -0.20 -0.05 0.00 -0.84 0.00 0.00 28.75 27.94 1xsb h GLU 58 CO -0.00 0.58 0.54 1.15 -1.40 0.00 0.00 179.01 179.87 1xsb h THR 59 N 0.90 1.13 -0.43 1.13 2.02 -1.32 0.94 112.91 117.28 1xsb h THR 59 Ca 0.47 -0.36 -0.06 0.00 0.77 0.00 0.00 66.41 67.24 1xsb h THR 59 Cb 0.49 -0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 1xsb h THR 59 CO -0.27 0.19 0.04 0.00 0.37 0.00 0.00 175.52 175.85 1xsb h ALA 60 N 1.35 0.57 0.17 6.16 0.00 -0.19 0.48 119.26 127.81 1xsb h ALA 60 Ca 0.34 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1xsb h ALA 60 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1xsb h ALA 60 CO -0.12 0.31 -0.12 -0.07 0.00 0.00 0.00 179.25 179.25 1xsb h LEU 61 N 0.57 -0.31 -0.65 0.00 3.38 0.17 1.04 115.31 119.52 1xsb h LEU 61 Ca 0.13 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1xsb h LEU 61 Cb 0.42 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1xsb h LEU 61 CO 0.01 -0.19 0.31 -0.09 0.09 0.00 0.00 178.44 178.57 1xsb h ARG 62 N -0.30 0.93 -0.18 1.13 2.43 0.98 -2.00 114.38 117.38 1xsb h ARG 62 Ca -0.01 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 58.93 1xsb h ARG 62 Cb 0.26 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1xsb h ARG 62 CO 0.00 0.75 -0.29 0.00 -1.51 0.00 0.00 179.97 178.92 1xsb h ALA 63 N 1.14 1.17 -0.30 2.80 0.00 0.41 0.12 119.26 124.60 1xsb h ALA 63 Ca 0.22 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1xsb h ALA 63 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1xsb h ALA 63 CO -0.03 0.53 0.19 1.15 0.00 0.00 0.00 179.25 181.10 1xsb h THR 64 N 0.31 1.09 0.13 0.00 2.02 0.19 -0.78 112.91 115.86 1xsb h THR 64 Ca 0.04 -0.17 -0.28 0.00 0.77 0.00 0.00 66.41 66.77 1xsb h THR 64 Cb 0.67 0.67 0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1xsb h THR 64 CO 0.05 0.08 -1.25 -0.61 0.37 0.00 0.00 175.52 174.17 1xsb h GLN 65 N 0.39 0.34 -0.79 6.66 4.15 -0.51 0.94 115.11 126.30 1xsb h GLN 65 Ca 0.11 -0.55 -0.04 0.00 0.77 0.00 0.00 58.65 58.94 1xsb h GLN 65 Cb -0.03 0.20 -0.04 0.00 0.21 0.00 0.00 27.48 27.83 1xsb h GLN 65 CO -0.02 1.25 0.32 0.93 -1.93 0.00 0.00 178.83 179.38 1xsb h GLU 66 N 0.11 1.17 -0.04 1.69 4.39 -0.84 2.08 114.58 123.15 1xsb h GLU 66 Ca -0.15 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.35 1xsb h GLU 66 Cb 1.96 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.41 1xsb h GLU 66 CO 0.21 0.94 0.00 0.39 -1.16 0.00 0.00 179.01 179.39 1xsb n GLU 67 N -4.28 1.96 0.00 2.33 1.02 -0.31 -4.24 120.64 117.12 1xsb n GLU 67 Ca 0.07 -1.78 0.00 0.00 -0.02 0.00 0.00 57.16 55.44 1xsb n GLU 67 Cb 0.18 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1xsb n GLU 67 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xsb n ALA 68 N 1.20 0.47 -0.23 0.62 0.00 0.51 -4.18 120.51 118.89 1xsb n ALA 68 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1xsb n ALA 68 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.20 1.15 3.62 0.00 0.00 0.70 0.55 105.19 111.41 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 -2.73 5.04 0.42 -0.61 1.01 -1.22 -4.74 121.20 118.38 1xsb s ILE 70 Ca 0.00 0.07 0.06 0.00 0.00 0.00 0.00 60.65 60.78 1xsb s ILE 70 Cb 0.00 -3.33 -0.06 0.00 0.01 0.00 0.00 42.46 39.08 1xsb s ILE 70 CO 0.00 0.38 0.07 -0.70 0.00 0.00 0.00 174.94 174.69 1xsb s GLU 71 N 0.93 2.07 0.41 2.79 2.12 -1.26 -0.76 118.70 124.99 1xsb s GLU 71 Ca 0.06 -2.06 0.20 0.00 0.36 0.00 0.00 54.97 53.53 1xsb s GLU 71 Cb -0.13 -1.74 1.13 0.00 0.26 0.00 0.00 34.13 33.65 1xsb s GLU 71 CO 0.03 -0.11 1.77 0.00 -0.54 0.00 0.00 175.26 176.41 1xsb h ALA 72 N 1.60 2.28 0.00 6.30 0.00 -1.85 3.00 119.26 130.60 1xsb h ALA 72 Ca -0.43 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xsb h ALA 72 Cb 1.25 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1xsb h ALA 72 CO 0.77 -0.69 0.00 0.78 0.00 0.00 0.00 179.25 180.11 1xsb h GLY 73 N 0.37 0.00 0.00 0.00 0.00 -1.98 -1.94 103.07 99.52 1xsb h GLY 73 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.92 1xsb h GLY 73 CO -0.28 0.00 -0.90 -1.06 0.00 0.00 0.00 176.54 174.30 1xsb n GLN 74 N -2.49 2.20 -3.76 4.80 1.13 0.98 -5.00 117.38 115.23 1xsb n GLN 74 Ca -0.01 -0.04 -0.19 0.00 -1.94 0.00 0.00 57.00 54.82 1xsb n GLN 74 Cb 0.11 -1.12 -0.05 0.00 0.11 0.00 0.00 30.24 29.28 1xsb n GLN 74 CO 0.00 0.00 0.00 1.47 -1.44 0.00 0.00 177.06 177.09 1xsb n LEU 75 N -1.50 0.00 -3.95 1.08 -0.00 0.07 -0.05 117.00 112.65 1xsb n LEU 75 Ca 0.01 -2.26 -0.30 0.00 -0.00 0.00 0.00 56.01 53.46 1xsb n LEU 75 Cb 0.22 0.67 -0.16 0.00 -0.00 0.00 0.00 43.42 44.15 1xsb n LEU 75 CO 0.24 -0.34 -0.44 -0.89 -0.00 0.00 0.00 177.39 175.95 1xsb s THR 76 N -2.60 1.42 -0.03 1.47 2.01 0.91 -4.73 115.64 114.09 1xsb s THR 76 Ca 0.13 -0.86 -0.28 0.00 0.31 0.00 0.00 61.69 60.98 1xsb s THR 76 Cb 0.01 -1.54 -0.03 0.00 0.01 0.00 0.00 72.50 70.94 1xsb s THR 76 CO 0.09 0.14 0.90 -0.63 -0.69 0.00 0.00 174.62 174.43 1xsb s ILE 77 N 1.49 4.91 0.15 1.82 -1.09 -1.26 -1.59 121.20 125.64 1xsb s ILE 77 Ca -0.01 1.87 -0.21 0.00 -2.23 0.00 0.00 60.65 60.07 1xsb s ILE 77 Cb -0.16 -4.24 -0.08 0.00 -1.58 0.00 0.00 42.46 36.41 1xsb s ILE 77 CO -0.08 0.17 0.68 -0.63 -1.23 0.00 0.00 174.94 173.86 1xsb s ILE 78 N 1.05 4.56 0.10 2.92 1.09 0.43 -4.99 121.20 126.36 1xsb s ILE 78 Ca 0.47 1.40 0.02 0.00 -1.10 0.00 0.00 60.65 61.45 1xsb s ILE 78 Cb -0.20 -3.98 -0.04 0.00 -1.06 0.00 0.00 42.46 37.19 1xsb s ILE 78 CO 0.24 0.45 0.19 -1.61 -0.10 0.00 0.00 174.94 174.12 1xsb s GLU 79 N -1.36 3.26 0.00 2.79 2.02 -1.26 -4.40 118.70 119.75 1xsb s GLU 79 Ca 0.35 -0.59 0.00 0.00 0.02 0.00 0.00 54.97 54.76 1xsb s GLU 79 Cb -0.20 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.12 1xsb s GLU 79 CO 0.22 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.47 1xsb n GLY 80 N 0.02 3.06 3.50 -1.39 0.00 -1.26 -5.04 105.19 104.08 1xsb n GLY 80 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.77 3.04 -0.22 1.61 2.19 -1.26 -5.08 117.98 115.49 1xsb s PHE 81 Ca 0.00 -0.30 -0.11 0.00 0.33 0.00 0.00 56.93 56.85 1xsb s PHE 81 Cb 0.00 -1.98 0.08 0.00 -1.31 0.00 0.00 43.02 39.81 1xsb s PHE 81 CO 0.00 -0.05 0.51 0.21 1.83 0.00 0.00 175.22 177.72 1xsb s LYS 82 N 0.43 0.49 -0.20 10.12 2.20 -1.26 -4.67 119.74 126.85 1xsb s LYS 82 Ca -0.03 1.01 -0.15 0.00 -0.36 0.00 0.00 55.97 56.44 1xsb s LYS 82 Cb -0.14 0.14 0.06 0.00 -1.51 0.00 0.00 37.83 36.38 1xsb s LYS 82 CO 0.03 -0.17 0.50 0.50 -0.36 0.00 0.00 175.35 175.85 1xsb s ARG 83 N 1.76 0.55 -0.03 4.03 3.52 -1.24 -5.01 118.95 122.52 1xsb s ARG 83 Ca -0.08 0.80 0.07 0.00 -0.13 0.00 0.00 55.73 56.38 1xsb s ARG 83 Cb -0.08 0.18 -0.02 0.00 -1.56 0.00 0.00 34.95 33.47 1xsb s ARG 83 CO -0.15 -0.11 -0.24 -1.83 -0.81 0.00 0.00 175.30 172.16 1xsb s GLU 84 N 0.77 2.21 -0.32 5.12 1.03 -1.24 -0.46 118.70 125.81 1xsb s GLU 84 Ca -0.04 -0.89 -0.14 0.00 0.03 0.00 0.00 54.97 53.93 1xsb s GLU 84 Cb -0.05 -2.10 -0.02 0.00 -0.80 0.00 0.00 34.13 31.15 1xsb s GLU 84 CO -0.06 0.55 0.32 -0.51 -1.33 0.00 0.00 175.26 174.23 1xsb s LEU 85 N -0.59 4.33 -0.14 1.83 1.43 0.33 -4.69 118.68 121.18 1xsb s LEU 85 Ca 0.09 -0.15 0.02 0.00 -1.03 0.00 0.00 54.13 53.06 1xsb s LEU 85 Cb -0.10 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.83 1xsb s LEU 85 CO -0.00 -0.26 -0.20 0.20 0.23 0.00 0.00 176.35 176.32 1xsb s ASN 86 N 1.72 3.33 -0.08 2.29 -0.87 -1.25 -0.51 114.94 119.57 1xsb s ASN 86 Ca 0.11 -0.54 -0.30 0.00 -1.57 0.00 0.00 52.86 50.56 1xsb s ASN 86 Cb -0.16 -1.48 0.10 0.00 -0.02 0.00 0.00 41.25 39.68 1xsb s ASN 86 CO 0.11 0.10 0.87 -0.72 -2.57 0.00 0.00 177.10 174.89 1xsb s TYR 87 N 0.70 -0.45 -0.37 2.20 -0.85 -1.20 -4.88 117.35 112.49 1xsb s TYR 87 Ca -0.09 0.65 -0.09 0.00 -0.52 0.00 0.00 57.07 57.01 1xsb s TYR 87 Cb -0.16 0.47 0.04 0.00 0.38 0.00 0.00 41.96 42.69 1xsb s TYR 87 CO 0.01 -0.48 0.19 0.54 -1.52 0.00 0.00 175.55 174.29 1xsb s VAL 88 N -1.72 4.31 0.00 -3.49 0.11 -1.26 -1.15 120.40 117.19 1xsb s VAL 88 Ca -0.02 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.00 1xsb s VAL 88 Cb -0.00 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.39 1xsb s VAL 88 CO 0.01 -0.27 0.00 0.00 -3.33 0.00 0.00 175.10 171.51 1xsb n ALA 89 N 4.94 0.00 -0.20 1.54 0.00 -1.17 -4.58 120.51 121.03 1xsb n ALA 89 Ca -0.12 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.30 1xsb n ALA 89 Cb 0.45 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.98 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 0.57 0.00 0.00 0.11 -2.05 -3.42 114.38 109.59 1xsb h ARG 90 Ca 0.00 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.05 1xsb h ARG 90 Cb 0.00 -0.13 0.00 0.00 1.11 0.00 0.00 29.97 30.95 1xsb h ARG 90 CO 0.00 0.38 0.00 0.27 0.10 0.00 0.00 179.97 180.72 1xsb n ASN 91 N -4.84 0.00 -3.96 0.08 6.94 -1.26 -5.13 115.26 107.08 1xsb n ASN 91 Ca 0.07 -0.21 -0.21 0.00 -0.02 0.00 0.00 54.58 54.20 1xsb n ASN 91 Cb 0.16 0.00 -0.16 0.00 -2.36 0.00 0.00 39.78 37.42 1xsb n ASN 91 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1xsb s LYS 92 N 0.00 1.13 0.16 -3.83 -2.85 -1.26 -5.04 119.74 108.05 1xsb s LYS 92 Ca 0.00 -0.26 -0.30 0.00 -1.00 0.00 0.00 55.97 54.41 1xsb s LYS 92 Cb 0.00 -1.02 -0.07 0.00 -2.06 0.00 0.00 37.83 34.68 1xsb s LYS 92 CO 0.00 0.01 0.97 -1.25 0.10 0.00 0.00 175.35 175.18 1xsb s PRO 93 N 0.62 4.74 -0.15 1.78 0.04 -1.26 -3.04 135.00 137.73 1xsb s PRO 93 Ca -0.10 1.50 -0.01 0.00 0.04 0.00 0.00 61.00 62.43 1xsb s PRO 93 Cb -0.13 -3.33 0.04 0.00 0.04 0.00 0.00 34.50 31.12 1xsb s PRO 93 CO 0.01 0.30 -0.05 0.15 0.04 0.00 0.00 177.00 177.46 1xsb s LYS 94 N -0.47 1.32 -0.13 4.56 1.02 -0.30 -1.84 119.74 123.89 1xsb s LYS 94 Ca 0.45 -0.38 -0.25 0.00 0.02 0.00 0.00 55.97 55.81 1xsb s LYS 94 Cb -0.25 -1.81 -0.02 0.00 -0.52 0.00 0.00 37.83 35.23 1xsb s LYS 94 CO 0.31 -0.39 0.81 0.99 -0.92 0.00 0.00 175.35 176.15 1xsb s THR 95 N 1.70 4.92 -0.21 2.17 2.01 -0.79 -3.27 115.64 122.17 1xsb s THR 95 Ca 0.02 1.63 0.01 0.00 0.31 0.00 0.00 61.69 63.66 1xsb s THR 95 Cb -0.14 -4.13 0.04 0.00 0.01 0.00 0.00 72.50 68.28 1xsb s THR 95 CO -0.08 0.09 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.15 1xsb s VAL 96 N 1.72 1.77 -0.15 3.82 1.01 0.33 -0.23 120.40 128.67 1xsb s VAL 96 Ca 0.39 -1.13 -0.20 0.00 0.00 0.00 0.00 61.98 61.05 1xsb s VAL 96 Cb -0.17 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.34 1xsb s VAL 96 CO 0.15 0.15 0.56 -0.63 0.00 0.00 0.00 175.10 175.33 1xsb s ILE 97 N 1.33 5.11 -0.10 2.22 -1.09 -0.68 0.12 121.20 128.11 1xsb s ILE 97 Ca -0.02 1.08 0.02 0.00 -2.23 0.00 0.00 60.65 59.49 1xsb s ILE 97 Cb -0.17 -3.88 -0.02 0.00 -1.58 0.00 0.00 42.46 36.81 1xsb s ILE 97 CO -0.08 0.22 -0.16 -0.31 -1.23 0.00 0.00 174.94 173.39 1xsb s TYR 98 N 1.23 2.71 -0.00 3.97 2.02 0.39 -2.21 117.35 125.46 1xsb s TYR 98 Ca 0.28 -0.57 0.05 0.00 -0.37 0.00 0.00 57.07 56.46 1xsb s TYR 98 Cb -0.16 -1.75 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 1xsb s TYR 98 CO 0.11 -0.13 -0.14 -1.58 -1.57 0.00 0.00 175.55 172.25 1xsb s TRP 99 N 0.01 2.70 0.20 2.71 0.51 -1.25 -3.66 118.94 120.16 1xsb s TRP 99 Ca -0.05 -0.16 -0.30 0.00 -2.12 0.00 0.00 56.10 53.47 1xsb s TRP 99 Cb -0.14 -1.57 -0.08 0.00 -0.81 0.00 0.00 33.47 30.87 1xsb s TRP 99 CO 0.04 0.26 1.08 -0.51 -0.51 0.00 0.00 176.95 177.31 1xsb s LEU 100 N -1.16 4.52 0.06 2.99 1.43 -1.26 -1.53 118.68 123.73 1xsb s LEU 100 Ca 0.14 2.10 0.01 0.00 -1.03 0.00 0.00 54.13 55.35 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 0.04 -0.16 -0.05 0.00 0.23 0.00 0.00 176.35 176.41 1xsb s ALA 101 N -0.52 0.59 -0.11 4.21 0.00 0.26 -0.43 121.76 125.75 1xsb s ALA 101 Ca 0.47 -1.01 -0.00 0.00 0.00 0.00 0.00 51.96 51.43 1xsb s ALA 101 Cb -0.29 0.15 0.02 0.00 0.00 0.00 0.00 23.12 23.00 1xsb s ALA 101 CO 0.36 -0.19 -0.08 -2.00 0.00 0.00 0.00 175.76 173.84 1xsb s GLU 102 N -2.76 1.59 0.09 0.00 2.12 -0.62 0.43 118.70 119.56 1xsb s GLU 102 Ca -0.01 -0.29 -0.30 0.00 0.36 0.00 0.00 54.97 54.73 1xsb s GLU 102 Cb -0.01 -1.60 -0.06 0.00 0.26 0.00 0.00 34.13 32.71 1xsb s GLU 102 CO -0.04 -0.24 1.12 0.14 -0.54 0.00 0.00 175.26 175.70 1xsb s VAL 103 N 1.61 4.13 0.21 3.70 -7.23 -1.26 -0.06 120.40 121.49 1xsb s VAL 103 Ca 0.03 1.63 -0.09 0.00 -1.81 0.00 0.00 61.98 61.74 1xsb s VAL 103 Cb -0.13 -4.04 0.15 0.00 0.56 0.00 0.00 36.38 32.92 1xsb s VAL 103 CO -0.07 0.18 1.83 0.11 -0.31 0.00 0.00 175.10 176.84 1xsb h LYS 104 N 6.17 0.77 -5.64 4.82 1.57 -0.80 -3.42 116.57 120.03 1xsb h LYS 104 Ca -0.42 -0.05 -0.66 0.00 -1.87 0.00 0.00 60.65 57.65 1xsb h LYS 104 Cb 1.21 -0.17 -0.09 0.00 0.08 0.00 0.00 32.23 33.26 1xsb h LYS 104 CO 0.77 0.51 -0.51 0.34 -0.57 0.00 0.00 179.45 179.98 1xsb s ASP 105 N -5.68 6.12 0.11 0.86 2.15 -1.26 -4.99 116.67 113.98 1xsb s ASP 105 Ca -0.13 0.36 -0.16 0.00 0.43 0.00 0.00 52.55 53.06 1xsb s ASP 105 Cb 0.16 -1.96 -0.04 0.00 -0.30 0.00 0.00 42.92 40.79 1xsb s ASP 105 CO 0.77 0.37 1.57 0.22 -0.17 0.00 0.00 175.17 177.93 1xsb h TYR 106 N 5.28 0.65 -0.34 -5.34 3.20 -1.99 -1.77 116.97 116.66 1xsb h TYR 106 Ca -0.52 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.25 1xsb h TYR 106 Cb 1.21 -0.17 0.00 0.00 1.54 0.00 0.00 36.73 39.31 1xsb h TYR 106 CO 0.71 0.68 0.00 -0.40 -1.64 0.00 0.00 178.16 177.51 1xsb n ASP 107 N -4.54 3.43 -4.11 -2.11 5.68 -1.26 -4.96 116.55 108.68 1xsb n ASP 107 Ca -0.02 -2.43 -0.41 0.00 -0.50 0.00 0.00 54.79 51.43 1xsb n ASP 107 Cb 0.25 -0.55 -0.01 0.00 -1.14 0.00 0.00 41.12 39.67 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1xsb n VAL 108 N 0.42 0.94 -2.00 2.12 3.14 -0.67 -4.78 118.33 117.50 1xsb n VAL 108 Ca 0.15 -0.48 -0.38 0.00 -2.96 0.00 0.00 64.34 60.68 1xsb n VAL 108 Cb 0.71 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.51 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 -0.95 3.53 -0.22 1.45 -1.05 -1.26 -5.01 118.70 115.20 1xsb s GLU 109 Ca 0.57 2.06 0.02 0.00 -0.15 0.00 0.00 54.97 57.47 1xsb s GLU 109 Cb -0.68 -2.41 0.04 0.00 -0.44 0.00 0.00 34.13 30.65 1xsb s GLU 109 CO 0.58 -0.82 -0.12 0.42 0.95 0.00 0.00 175.26 176.27 1xsb s ILE 110 N -1.38 1.88 -0.33 1.83 -1.09 -1.25 -4.40 121.20 116.45 1xsb s ILE 110 Ca 0.66 -1.20 -0.08 0.00 -2.23 0.00 0.00 60.65 57.80 1xsb s ILE 110 Cb -0.36 -1.92 0.02 0.00 -1.58 0.00 0.00 42.46 38.63 1xsb s ILE 110 CO 0.43 0.17 0.12 -0.13 -1.23 0.00 0.00 174.94 174.30 1xsb s ARG 111 N 1.29 2.88 -0.10 2.79 0.52 2.19 -4.88 118.95 123.64 1xsb s ARG 111 Ca -0.03 -1.01 -0.07 0.00 -0.52 0.00 0.00 55.73 54.11 1xsb s ARG 111 Cb -0.17 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 1xsb s ARG 111 CO -0.08 -0.57 0.15 -0.51 0.02 0.00 0.00 175.30 174.31 1xsb s LEU 112 N 1.48 4.39 0.81 2.53 1.43 -1.26 -0.37 118.68 127.70 1xsb s LEU 112 Ca 0.01 0.46 -0.08 0.00 -1.03 0.00 0.00 54.13 53.50 1xsb s LEU 112 Cb -0.18 -2.17 0.15 0.00 0.03 0.00 0.00 46.19 44.02 1xsb s LEU 112 CO 0.04 0.39 1.13 -0.44 0.23 0.00 0.00 176.35 177.69 1xsb s SER 113 N -1.17 3.93 0.38 2.29 0.01 -1.25 -4.85 113.70 113.04 1xsb s SER 113 Ca 0.17 0.01 0.13 0.00 1.31 0.00 0.00 55.95 57.56 1xsb s SER 113 Cb -0.12 -0.29 0.94 0.00 0.21 0.00 0.00 66.02 66.75 1xsb s SER 113 CO 0.06 -2.17 1.85 -0.74 0.41 0.00 0.00 173.24 172.65 1xsb h HIS 114 N -0.98 0.72 -0.29 2.43 2.76 -1.99 0.24 115.15 118.03 1xsb h HIS 114 Ca -0.41 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 57.77 1xsb h HIS 114 Cb 1.26 -0.22 -0.02 0.00 1.55 0.00 0.00 27.41 29.98 1xsb h HIS 114 CO -0.50 0.21 0.12 0.93 -1.30 0.00 0.00 177.93 177.39 1xsb h GLU 115 N 0.56 0.41 -5.84 5.26 5.08 -1.95 -3.39 114.58 114.70 1xsb h GLU 115 Ca 0.48 -0.04 -0.67 0.00 -1.00 0.00 0.00 59.36 58.12 1xsb h GLU 115 Cb 0.96 -0.08 -0.23 0.00 0.50 0.00 0.00 28.75 29.91 1xsb h GLU 115 CO -0.22 0.34 -0.73 -1.01 -1.00 0.00 0.00 179.01 176.39 1xsb s HIS 116 N -5.22 2.85 -0.02 4.33 3.76 0.83 0.37 115.29 122.19 1xsb s HIS 116 Ca -0.07 -0.26 0.06 0.00 -0.15 0.00 0.00 55.06 54.64 1xsb s HIS 116 Cb 0.17 -1.76 -0.09 0.00 1.11 0.00 0.00 32.58 32.01 1xsb s HIS 116 CO 0.73 0.09 0.11 0.00 -0.85 0.00 0.00 174.74 174.81 1xsb n GLN 117 N 2.80 0.76 -3.68 1.40 10.64 -0.49 -3.88 117.38 124.93 1xsb n GLN 117 Ca -0.18 -0.04 -0.12 0.00 -1.83 0.00 0.00 57.00 54.83 1xsb n GLN 117 Cb 0.53 -1.14 -0.06 0.00 -0.86 0.00 0.00 30.24 28.70 1xsb n GLN 117 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xsb s ALA 118 N -2.36 -0.90 0.08 2.61 0.00 -1.25 -5.00 121.76 114.94 1xsb s ALA 118 Ca -0.02 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.08 1xsb s ALA 118 Cb 0.03 0.44 -0.04 0.00 0.00 0.00 0.00 23.12 23.56 1xsb s ALA 118 CO 0.24 -0.50 -0.07 1.52 0.00 0.00 0.00 175.76 176.95 1xsb s TYR 119 N -2.91 0.80 0.06 0.00 1.13 -1.26 0.17 117.35 115.34 1xsb s TYR 119 Ca -0.03 -0.80 0.03 0.00 -1.41 0.00 0.00 57.07 54.87 1xsb s TYR 119 Cb 0.00 -0.47 -0.03 0.00 -1.10 0.00 0.00 41.96 40.36 1xsb s TYR 119 CO -0.05 -0.14 -0.10 1.03 -2.51 0.00 0.00 175.55 173.77 1xsb s ARG 120 N -3.16 0.66 -0.35 -3.49 0.52 -0.40 -4.97 118.95 107.75 1xsb s ARG 120 Ca 0.05 -0.89 -0.04 0.00 -0.52 0.00 0.00 55.73 54.33 1xsb s ARG 120 Cb 0.01 -0.45 0.07 0.00 0.52 0.00 0.00 34.95 35.09 1xsb s ARG 120 CO -0.04 0.08 0.11 -1.58 0.02 0.00 0.00 175.30 173.90 1xsb s TRP 121 N -1.61 3.36 0.36 -0.53 0.52 -1.26 -2.55 118.94 117.22 1xsb s TRP 121 Ca -0.05 -1.86 0.03 0.00 0.02 0.00 0.00 56.10 54.24 1xsb s TRP 121 Cb -0.08 -2.54 -0.04 0.00 -1.15 0.00 0.00 33.47 29.66 1xsb s TRP 121 CO 0.01 -0.83 0.10 -0.51 0.02 0.00 0.00 176.95 175.73 1xsb s LEU 122 N 1.28 2.02 0.00 2.99 1.02 -1.24 -4.92 118.68 119.83 1xsb s LEU 122 Ca 0.00 -1.52 -0.11 0.00 0.02 0.00 0.00 54.13 52.53 1xsb s LEU 122 Cb -0.21 -0.20 0.18 0.00 0.02 0.00 0.00 46.19 45.98 1xsb s LEU 122 CO -0.01 -0.77 1.10 0.61 0.02 0.00 0.00 176.35 177.31 1xsb n GLY 123 N -0.76 -0.94 0.37 -3.19 0.00 -1.26 -1.30 105.19 98.11 1xsb n GLY 123 Ca -0.04 -1.78 0.01 0.00 0.00 0.00 0.00 46.02 44.21 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 1.06 0.29 0.99 5.85 -1.84 0.27 115.31 121.92 1xsb h LEU 124 Ca -0.36 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.36 1xsb h LEU 124 Cb 1.06 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 1xsb h LEU 124 CO 0.28 0.71 -0.28 1.05 -0.34 0.00 0.00 178.44 179.86 1xsb h GLU 125 N 1.21 -0.58 -0.05 1.25 4.11 -1.92 0.51 114.58 119.11 1xsb h GLU 125 Ca 0.40 0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.84 1xsb h GLU 125 Cb 0.06 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1xsb h GLU 125 CO -0.14 -0.38 -0.11 0.93 0.07 0.00 0.00 179.01 179.37 1xsb h GLU 126 N -0.60 0.16 -0.90 1.06 3.07 -1.87 0.17 114.58 115.68 1xsb h GLU 126 Ca -0.01 -0.11 0.22 0.00 -0.50 0.00 0.00 59.36 58.96 1xsb h GLU 126 Cb 0.55 0.02 -0.06 0.00 -0.84 0.00 0.00 28.75 28.41 1xsb h GLU 126 CO -0.05 0.71 0.61 0.00 -1.40 0.00 0.00 179.01 178.88 1xsb h ALA 127 N 0.45 2.41 0.03 3.43 0.00 -0.40 0.92 119.26 126.11 1xsb h ALA 127 Ca -0.00 0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 1xsb h ALA 127 Cb 0.71 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1xsb h ALA 127 CO 0.03 -0.70 -1.04 0.00 0.00 0.00 0.00 179.25 177.54 1xsb h GLN 129 N 0.27 0.26 -0.30 0.00 -0.00 0.36 -3.11 115.11 112.59 1xsb h GLN 129 Ca -0.12 -0.09 -0.05 0.00 -0.00 0.00 0.00 58.65 58.39 1xsb h GLN 129 Cb 1.70 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.48 29.15 1xsb h GLN 129 CO 0.19 0.51 -0.02 -0.07 -0.00 0.00 0.00 178.83 179.44 1xsb h LEU 130 N -0.02 0.54 -4.36 0.06 3.38 0.18 -2.86 115.31 112.23 1xsb h LEU 130 Ca 0.04 -0.33 -0.27 0.00 0.09 0.00 0.00 57.88 57.41 1xsb h LEU 130 Cb 0.41 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1xsb h LEU 130 CO 0.01 0.74 0.65 0.00 0.09 0.00 0.00 178.44 179.92 1xsb n ALA 131 N -2.38 6.03 -0.44 1.53 0.00 -0.20 -4.21 120.51 120.83 1xsb n ALA 131 Ca -0.03 -1.99 0.36 0.00 0.00 0.00 0.00 53.44 51.79 1xsb n ALA 131 Cb 0.28 -2.55 0.60 0.00 0.00 0.00 0.00 19.45 17.78 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 2.85 -0.02 -1.68 0.00 10.64 -1.08 -3.70 117.38 124.38 1xsb n GLN 132 Ca 0.46 1.02 -0.48 0.00 -1.83 0.00 0.00 57.00 56.18 1xsb n GLN 132 Cb 0.67 -2.08 -0.05 0.00 -0.86 0.00 0.00 30.24 27.92 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 -4.22 2.32 -0.20 2.61 3.72 -1.26 -4.81 117.46 115.62 1xsb n PHE 133 Ca 0.35 0.04 0.08 0.00 -0.05 0.00 0.00 57.45 57.86 1xsb n PHE 133 Cb 1.40 -2.64 0.36 0.00 -0.94 0.00 0.00 39.48 37.65 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 8.56 0.72 -0.55 -1.08 3.64 -1.96 -0.52 116.57 125.38 1xsb h LYS 134 Ca -0.48 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 58.92 1xsb h LYS 134 Cb 1.27 -0.16 -0.06 0.00 -0.41 0.00 0.00 32.23 32.87 1xsb h LYS 134 CO 0.94 0.48 0.24 0.93 -2.27 0.00 0.00 179.45 179.76 1xsb h GLU 135 N 0.74 0.44 -0.03 1.90 5.08 -1.89 0.70 114.58 121.53 1xsb h GLU 135 Ca 0.34 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.50 1xsb h GLU 135 Cb 0.35 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.51 1xsb h GLU 135 CO -0.12 0.29 -0.64 0.52 -1.00 0.00 0.00 179.01 178.06 1xsb h MET 136 N 0.46 0.48 -0.52 2.33 2.86 -1.58 0.75 114.93 119.71 1xsb h MET 136 Ca 0.26 -0.49 0.08 0.00 -2.06 0.00 0.00 59.70 57.49 1xsb h MET 136 Cb 0.23 0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1xsb h MET 136 CO -0.22 1.13 0.35 0.87 1.06 0.00 0.00 176.91 180.10 1xsb h LYS 137 N 0.03 0.39 0.01 1.72 1.57 -0.71 1.15 116.57 120.73 1xsb h LYS 137 Ca -0.07 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1xsb h LYS 137 Cb 1.33 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 33.56 1xsb h LYS 137 CO 0.13 0.26 -0.31 0.00 -0.57 0.00 0.00 179.45 178.96 1xsb h ALA 138 N 1.73 0.03 -0.23 3.86 0.00 0.67 0.11 119.26 125.42 1xsb h ALA 138 Ca 0.23 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1xsb h ALA 138 Cb 0.41 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1xsb h ALA 138 CO -0.06 0.13 0.08 0.00 0.00 0.00 0.00 179.25 179.40 1xsb h ALA 139 N 0.25 0.26 -0.09 0.00 0.00 0.20 2.70 119.26 122.58 1xsb h ALA 139 Ca -0.04 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1xsb h ALA 139 Cb 1.07 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1xsb h ALA 139 CO 0.06 -0.34 -0.14 -0.07 0.00 0.00 0.00 179.25 178.76 1xsb h LEU 140 N 0.18 0.12 0.05 0.00 3.38 0.12 0.69 115.31 119.86 1xsb h LEU 140 Ca 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xsb h LEU 140 Cb 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xsb h LEU 140 CO -0.11 0.28 -0.02 1.56 0.09 0.00 0.00 178.44 180.25 1xsb h GLN 141 N 0.13 -0.06 -0.45 1.13 1.08 0.21 -2.70 115.11 114.44 1xsb h GLN 141 Ca 0.03 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 1xsb h GLN 141 Cb 0.33 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.76 1xsb h GLN 141 CO 0.02 0.57 0.05 0.93 -0.95 0.00 0.00 178.83 179.45 1xsb h GLU 142 N -0.84 0.70 0.10 1.46 4.39 0.47 0.87 114.58 121.74 1xsb h GLU 142 Ca -0.01 -0.15 -0.00 0.00 0.34 0.00 0.00 59.36 59.53 1xsb h GLU 142 Cb 0.66 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 1xsb h GLU 142 CO 0.01 0.68 -0.05 0.78 -1.16 0.00 0.00 179.01 179.27 1xsb h GLY 143 N 0.92 -0.14 1.01 -3.84 0.00 -0.94 -0.22 103.07 99.86 1xsb h GLY 143 Ca 0.14 0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 1xsb h GLY 143 CO 0.01 -0.05 0.33 0.84 0.00 0.00 0.00 176.54 177.66 1xsb h HIS 144 N -0.23 1.00 -0.85 5.60 -0.00 -1.22 -0.47 115.15 118.98 1xsb h HIS 144 Ca -0.01 -0.05 0.08 0.00 -0.00 0.00 0.00 60.37 60.39 1xsb h HIS 144 Cb 0.19 -0.31 -0.07 0.00 -0.00 0.00 0.00 27.41 27.22 1xsb h HIS 144 CO -0.04 0.74 0.50 0.37 -0.00 0.00 0.00 177.93 179.51 1xsb h GLN 145 N 0.96 0.84 0.00 5.26 5.75 -0.49 -0.63 115.11 126.80 1xsb h GLN 145 Ca 0.24 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.69 1xsb h GLN 145 Cb 0.12 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.48 1xsb h GLN 145 CO -0.03 0.56 -0.00 0.35 -2.65 0.00 0.00 178.83 177.06 1xsb h PHE 146 N 0.87 -0.00 -0.87 3.99 3.04 -0.48 -3.07 116.94 120.41 1xsb h PHE 146 Ca 0.40 -0.00 0.15 0.00 3.98 0.00 0.00 57.97 62.49 1xsb h PHE 146 Cb 0.30 0.00 -0.07 0.00 2.56 0.00 0.00 35.95 38.75 1xsb h PHE 146 CO -0.05 0.71 0.56 -0.07 -2.02 0.00 0.00 178.31 177.45 1xsb h LEU 147 N -0.71 0.59 -0.42 0.59 3.38 -0.87 1.51 115.31 119.37 1xsb h LEU 147 Ca -0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xsb h LEU 147 Cb 0.71 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1xsb h LEU 147 CO 0.00 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.82 1xsb n SER 149 N -1.93 0.63 0.00 0.00 2.88 0.51 -3.20 113.62 112.51 1xsb n SER 149 Ca 0.03 -0.12 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1xsb n SER 149 Cb 0.19 0.43 0.00 0.00 -0.75 0.00 0.00 64.21 64.08 1xsb n SER 149 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xsb n ILE 150 N -1.89 0.00 1.37 2.46 5.41 -0.86 -4.76 119.36 121.09 1xsb n ILE 150 Ca 0.03 0.00 0.14 0.00 1.00 0.00 0.00 62.75 63.92 1xsb n ILE 150 Cb 0.41 0.00 0.56 0.00 -0.71 0.00 0.00 39.64 39.90 1xsb n ILE 150 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1xsb n GLU 151 N 0.00 0.75 0.21 0.38 0.28 -1.26 -3.60 120.64 117.39 1xsb n GLU 151 Ca 0.00 -0.31 0.15 0.00 -0.16 0.00 0.00 57.16 56.84 1xsb n GLU 151 Cb 0.00 -1.49 0.58 0.00 1.43 0.00 0.00 31.44 31.96 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xsb h ALA 152 N 3.65 1.00 0.00 -1.84 0.00 -1.80 -3.52 119.26 116.75 1xsb h ALA 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xsb h ALA 152 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xsb h ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53