#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsb n PRO 2 N 0.00 0.62 -2.87 1.61 -0.04 -1.26 -4.82 135.00 128.25 1xsb n PRO 2 Ca 0.00 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.10 1xsb n PRO 2 Cb 0.00 -1.23 -0.06 0.00 -0.04 0.00 0.00 33.50 32.17 1xsb n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xsb s LEU 3 N -0.27 4.26 0.00 1.53 1.43 -1.26 -4.14 118.68 120.23 1xsb s LEU 3 Ca 0.00 1.70 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 1xsb s LEU 3 Cb 0.00 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.19 1xsb s LEU 3 CO 0.00 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.08 1xsb n GLY 4 N 0.34 2.06 3.70 -3.19 0.00 -1.26 -4.96 105.19 101.87 1xsb n GLY 4 Ca 0.02 -0.33 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 1xsb n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsb s SER 5 N 0.00 3.35 0.50 1.61 1.04 -1.26 -4.70 113.70 114.25 1xsb s SER 5 Ca 0.00 1.66 0.00 0.00 0.48 0.00 0.00 55.95 58.09 1xsb s SER 5 Cb 0.00 -2.31 0.00 0.00 0.10 0.00 0.00 66.02 63.81 1xsb s SER 5 CO 0.00 -2.74 0.00 0.80 0.98 0.00 0.00 173.24 172.28 1xsb n MET 6 N -3.97 -2.73 -1.12 4.02 0.00 -1.26 -4.91 117.12 107.15 1xsb n MET 6 Ca 0.08 2.23 0.12 0.00 0.00 0.00 0.00 57.70 60.13 1xsb n MET 6 Cb 0.54 -3.26 -0.05 0.00 0.00 0.00 0.00 33.22 30.45 1xsb n MET 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1xsb n ALA 7 N -4.02 -3.14 -2.82 -5.12 0.00 -1.26 -4.77 120.51 99.38 1xsb n ALA 7 Ca -0.07 0.47 -0.36 0.00 0.00 0.00 0.00 53.44 53.47 1xsb n ALA 7 Cb 0.54 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 18.80 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 -5.77 4.24 -0.04 0.00 1.02 0.14 -4.99 118.68 113.28 1xsb s LEU 8 Ca 0.00 0.36 -0.24 0.00 0.02 0.00 0.00 54.13 54.27 1xsb s LEU 8 Cb 0.00 -2.05 -0.04 0.00 0.02 0.00 0.00 46.19 44.12 1xsb s LEU 8 CO 0.00 0.33 0.71 -0.60 0.02 0.00 0.00 176.35 176.82 1xsb s ARG 9 N -0.57 4.44 0.03 1.70 3.52 -1.26 -1.92 118.95 124.89 1xsb s ARG 9 Ca 0.12 0.92 -0.05 0.00 -0.13 0.00 0.00 55.73 56.59 1xsb s ARG 9 Cb -0.12 -3.43 -0.01 0.00 -1.56 0.00 0.00 34.95 29.83 1xsb s ARG 9 CO 0.02 0.11 0.08 0.00 -0.81 0.00 0.00 175.30 174.70 1xsb s ALA 10 N 0.62 -0.05 -0.08 6.12 0.00 -0.60 -3.50 121.76 124.27 1xsb s ALA 10 Ca 0.38 -0.54 -0.03 0.00 0.00 0.00 0.00 51.96 51.76 1xsb s ALA 10 Cb -0.18 0.22 0.05 0.00 0.00 0.00 0.00 23.12 23.21 1xsb s ALA 10 CO 0.19 -0.29 0.17 0.00 0.00 0.00 0.00 175.76 175.83 1xsb s GLY 12 N 1.88 2.99 -0.16 0.00 0.00 -1.09 -3.11 107.32 107.84 1xsb s GLY 12 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 44.72 44.30 1xsb s GLY 12 CO -0.06 -2.18 -0.11 1.08 0.00 0.00 0.00 173.10 171.82 1xsb s LEU 13 N -3.91 1.75 -0.49 0.66 1.43 -1.08 -4.05 118.68 112.99 1xsb s LEU 13 Ca 0.07 -0.58 -0.27 0.00 -1.03 0.00 0.00 54.13 52.32 1xsb s LEU 13 Cb 0.01 -1.11 0.03 0.00 0.03 0.00 0.00 46.19 45.15 1xsb s LEU 13 CO 0.04 -0.10 1.03 -0.63 0.23 0.00 0.00 176.35 176.91 1xsb s ILE 14 N 1.52 4.32 -0.09 -0.59 1.01 -0.64 -4.36 121.20 122.36 1xsb s ILE 14 Ca 0.03 0.87 -0.06 0.00 0.00 0.00 0.00 60.65 61.49 1xsb s ILE 14 Cb -0.14 -4.54 -0.04 0.00 0.01 0.00 0.00 42.46 37.75 1xsb s ILE 14 CO -0.09 -0.99 0.13 -0.63 0.00 0.00 0.00 174.94 173.36 1xsb s ILE 15 N 4.16 5.37 -0.05 2.92 1.01 -1.26 0.73 121.20 134.09 1xsb s ILE 15 Ca 0.41 0.09 -0.02 0.00 0.00 0.00 0.00 60.65 61.13 1xsb s ILE 15 Cb -0.09 -3.37 0.03 0.00 0.01 0.00 0.00 42.46 39.05 1xsb s ILE 15 CO 0.27 0.56 0.08 0.72 0.00 0.00 0.00 174.94 176.57 1xsb s PHE 16 N -1.08 -0.04 -0.26 3.97 -0.71 0.89 -1.92 117.98 118.84 1xsb s PHE 16 Ca 0.17 0.32 -0.20 0.00 -1.04 0.00 0.00 56.93 56.18 1xsb s PHE 16 Cb -0.12 -0.27 -0.02 0.00 -1.21 0.00 0.00 43.02 41.40 1xsb s PHE 16 CO 0.07 -0.16 0.61 -0.98 -1.34 0.00 0.00 175.22 173.42 1xsb s ARG 17 N 1.57 4.09 0.04 1.99 1.70 -0.46 -3.87 118.95 124.02 1xsb s ARG 17 Ca -0.04 0.49 -0.19 0.00 -0.47 0.00 0.00 55.73 55.52 1xsb s ARG 17 Cb -0.12 -3.66 -0.06 0.00 -0.57 0.00 0.00 34.95 30.54 1xsb s ARG 17 CO -0.04 -0.41 0.56 0.50 -1.08 0.00 0.00 175.30 174.83 1xsb s ARG 18 N 2.48 4.22 -0.04 3.89 3.52 -1.26 -3.56 118.95 128.20 1xsb s ARG 18 Ca 0.25 0.71 -0.12 0.00 -0.13 0.00 0.00 55.73 56.44 1xsb s ARG 18 Cb -0.15 -3.27 -0.05 0.00 -1.56 0.00 0.00 34.95 29.91 1xsb s ARG 18 CO 0.09 0.56 0.32 0.00 -0.81 0.00 0.00 175.30 175.45 1xsb h LEU 20 N 4.75 0.83 -7.51 0.00 3.38 -1.97 -3.42 115.31 111.38 1xsb h LEU 20 Ca -0.53 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.42 1xsb h LEU 20 Cb 1.22 -0.09 -0.18 0.00 0.09 0.00 0.00 40.66 41.71 1xsb h LEU 20 CO 0.60 0.37 -0.22 0.27 0.09 0.00 0.00 178.44 179.55 1xsb s ILE 21 N -5.88 0.07 0.65 1.22 -5.25 -1.26 -5.16 121.20 105.60 1xsb s ILE 21 Ca -0.11 -0.59 -0.16 0.00 -0.99 0.00 0.00 60.65 58.80 1xsb s ILE 21 Cb 0.24 -0.87 -0.00 0.00 2.95 0.00 0.00 42.46 44.77 1xsb s ILE 21 CO 0.80 -0.32 1.16 -2.84 -1.79 0.00 0.00 174.94 171.95 1xsb s PRO 22 N -2.25 2.72 0.00 0.37 0.02 -1.26 -5.02 135.00 129.58 1xsb s PRO 22 Ca -0.07 1.62 0.00 0.00 0.02 0.00 0.00 61.00 62.57 1xsb s PRO 22 Cb -0.02 -1.92 0.00 0.00 0.02 0.00 0.00 34.50 32.58 1xsb s PRO 22 CO -0.01 -1.35 0.00 1.63 -0.33 0.00 0.00 177.00 176.93 1xsb n LYS 23 N -2.18 0.00 -0.24 5.54 4.76 -1.26 -4.70 118.16 120.08 1xsb n LYS 23 Ca 0.12 0.05 0.07 0.00 -2.87 0.00 0.00 58.31 55.68 1xsb n LYS 23 Cb 0.51 -0.31 0.19 0.00 -1.84 0.00 0.00 35.03 33.58 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1xsb n VAL 24 N -1.57 1.13 -2.76 -0.18 0.31 -1.26 -4.94 118.33 109.06 1xsb n VAL 24 Ca 0.00 -1.07 -0.07 0.00 -0.01 0.00 0.00 64.34 63.18 1xsb n VAL 24 Cb 0.00 0.43 0.03 0.00 -0.91 0.00 0.00 33.84 33.39 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 0.63 -3.07 -3.64 4.52 -0.08 -1.26 -5.04 116.55 108.62 1xsb n ASP 25 Ca 0.15 -0.19 -0.14 0.00 -1.51 0.00 0.00 54.79 53.10 1xsb n ASP 25 Cb 0.51 -2.03 -0.14 0.00 2.34 0.00 0.00 41.12 41.80 1xsb n ASP 25 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1xsb s ASN 26 N -3.20 0.52 -0.97 1.67 6.03 -1.26 -4.89 114.94 112.83 1xsb s ASN 26 Ca 0.14 0.47 -0.01 0.00 -1.03 0.00 0.00 52.86 52.43 1xsb s ASN 26 Cb -0.06 0.60 0.00 0.00 -3.03 0.00 0.00 41.25 38.76 1xsb s ASN 26 CO 0.24 -0.25 0.82 0.59 -2.03 0.00 0.00 177.10 176.47 1xsb n ASN 27 N 5.34 -2.51 -0.18 3.54 3.02 -1.26 -4.89 115.26 118.33 1xsb n ASN 27 Ca -0.06 -0.48 0.06 0.00 -0.03 0.00 0.00 54.58 54.07 1xsb n ASN 27 Cb 0.50 -4.17 0.35 0.00 -0.61 0.00 0.00 39.78 35.85 1xsb n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xsb h ALA 28 N 0.73 1.70 -3.68 5.41 0.00 -1.97 -3.40 119.26 118.04 1xsb h ALA 28 Ca -0.47 -0.02 -0.67 0.00 0.00 0.00 0.00 54.91 53.75 1xsb h ALA 28 Cb 1.27 -0.20 -0.26 0.00 0.00 0.00 0.00 17.79 18.61 1xsb h ALA 28 CO 0.40 0.20 -0.77 0.42 0.00 0.00 0.00 179.25 179.50 1xsb s ILE 29 N -5.67 2.99 0.25 0.00 1.01 -1.26 -3.94 121.20 114.58 1xsb s ILE 29 Ca -0.10 -0.72 0.10 0.00 0.00 0.00 0.00 60.65 59.94 1xsb s ILE 29 Cb 0.19 -2.21 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 1xsb s ILE 29 CO 0.77 0.56 -0.18 -1.61 0.00 0.00 0.00 174.94 174.48 1xsb s GLU 30 N -0.17 1.54 0.17 2.79 2.02 -1.23 -3.98 118.70 119.84 1xsb s GLU 30 Ca -0.01 -1.69 0.11 0.00 0.02 0.00 0.00 54.97 53.40 1xsb s GLU 30 Cb -0.13 -1.51 -0.04 0.00 0.10 0.00 0.00 34.13 32.54 1xsb s GLU 30 CO 0.03 0.27 -0.24 -0.06 0.02 0.00 0.00 175.26 175.29 1xsb s PHE 31 N -2.67 2.32 -0.06 1.61 0.08 -0.66 -1.35 117.98 117.25 1xsb s PHE 31 Ca 0.27 -0.36 -0.28 0.00 0.12 0.00 0.00 56.93 56.68 1xsb s PHE 31 Cb -0.03 -1.18 -0.02 0.00 -0.57 0.00 0.00 43.02 41.21 1xsb s PHE 31 CO 0.12 0.46 0.92 -1.17 -0.10 0.00 0.00 175.22 175.44 1xsb s LEU 32 N -2.50 4.30 -0.05 -0.37 2.96 -0.81 -3.77 118.68 118.45 1xsb s LEU 32 Ca 0.19 1.48 0.04 0.00 -0.22 0.00 0.00 54.13 55.62 1xsb s LEU 32 Cb -0.09 -3.44 0.00 0.00 0.50 0.00 0.00 46.19 43.17 1xsb s LEU 32 CO 0.09 -0.30 -0.16 -0.76 -1.32 0.00 0.00 176.35 173.90 1xsb s LEU 33 N 1.40 1.86 -0.09 -0.68 1.43 -1.13 -4.54 118.68 116.93 1xsb s LEU 33 Ca 0.47 -0.33 -0.00 0.00 -1.03 0.00 0.00 54.13 53.23 1xsb s LEU 33 Cb -0.19 -0.91 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 1xsb s LEU 33 CO 0.21 0.12 -0.06 -0.76 0.23 0.00 0.00 176.35 176.10 1xsb s LEU 34 N 0.16 3.21 -0.17 1.79 1.43 -1.19 -1.76 118.68 122.14 1xsb s LEU 34 Ca -0.06 -0.04 -0.15 0.00 -1.03 0.00 0.00 54.13 52.85 1xsb s LEU 34 Cb -0.12 -1.72 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1xsb s LEU 34 CO 0.02 0.31 0.34 -1.58 0.23 0.00 0.00 176.35 175.68 1xsb s GLN 35 N -0.51 4.24 0.50 1.70 0.74 0.54 -1.07 119.66 125.80 1xsb s GLN 35 Ca 0.08 0.16 -0.23 0.00 0.05 0.00 0.00 55.36 55.42 1xsb s GLN 35 Cb -0.12 -3.46 -0.07 0.00 1.10 0.00 0.00 33.01 30.46 1xsb s GLN 35 CO 0.02 0.14 1.31 0.00 -0.55 0.00 0.00 175.29 176.20 1xsb n ALA 36 N 3.88 1.43 1.81 1.58 0.00 -0.81 -1.23 120.51 127.17 1xsb n ALA 36 Ca -0.10 0.17 0.16 0.00 0.00 0.00 0.00 53.44 53.67 1xsb n ALA 36 Cb 0.52 -2.31 0.89 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.50 0.00 -3.14 0.00 3.41 0.37 -4.50 113.62 109.26 1xsb n SER 37 Ca 0.09 -0.73 -0.16 0.00 -0.26 0.00 0.00 58.87 57.81 1xsb n SER 37 Cb 0.43 -0.09 -0.04 0.00 -0.26 0.00 0.00 64.21 64.24 1xsb n SER 37 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 1xsb s ASP 38 N -2.18 1.19 0.16 4.04 3.84 -1.26 -4.97 116.67 117.48 1xsb s ASP 38 Ca 0.42 -1.59 0.00 0.00 -0.00 0.00 0.00 52.55 51.38 1xsb s ASP 38 Cb 0.21 0.67 0.00 0.00 -1.38 0.00 0.00 42.92 42.42 1xsb s ASP 38 CO 0.40 -1.30 0.00 0.61 -0.00 0.00 0.00 175.17 174.88 1xsb n GLY 39 N -0.61 -0.93 0.00 2.12 0.00 -1.26 -3.12 105.19 101.40 1xsb n GLY 39 Ca 0.02 -1.19 0.06 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.04 -0.61 -5.35 -1.26 -4.80 119.36 104.30 1xsb n ILE 40 Ca 0.00 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.36 1xsb n ILE 40 Cb 0.00 -0.54 0.04 0.00 -1.74 0.00 0.00 39.64 37.40 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 -0.83 -1.43 -1.26 4.28 8.25 -1.18 -4.99 115.22 118.06 1xsb n HIS 41 Ca 0.09 0.50 -0.31 0.00 -0.26 0.00 0.00 57.72 57.74 1xsb n HIS 41 Cb 0.04 -3.01 0.09 0.00 1.12 0.00 0.00 29.99 28.24 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 -3.15 2.48 -0.13 4.41 -3.43 -1.26 -4.51 115.29 109.69 1xsb s HIS 42 Ca 0.29 1.58 -0.06 0.00 -0.80 0.00 0.00 55.06 56.08 1xsb s HIS 42 Cb -0.13 -3.10 -0.04 0.00 -1.43 0.00 0.00 32.58 27.89 1xsb s HIS 42 CO 0.36 -1.90 0.07 -1.58 -2.00 0.00 0.00 174.74 169.68 1xsb s TRP 43 N -2.80 3.33 -0.22 0.38 0.52 -1.26 -1.93 118.94 116.96 1xsb s TRP 43 Ca 0.63 0.25 -0.17 0.00 0.02 0.00 0.00 56.10 56.82 1xsb s TRP 43 Cb -0.18 -1.95 0.06 0.00 -1.15 0.00 0.00 33.47 30.25 1xsb s TRP 43 CO 0.55 0.43 0.56 0.95 0.02 0.00 0.00 176.95 179.45 1xsb s THR 44 N -0.43 -0.00 0.92 2.01 -4.23 -0.23 -4.53 115.64 109.15 1xsb s THR 44 Ca 0.10 0.02 -0.13 0.00 -1.18 0.00 0.00 61.69 60.49 1xsb s THR 44 Cb -0.12 -0.79 0.02 0.00 1.34 0.00 0.00 72.50 72.95 1xsb s THR 44 CO 0.02 0.01 0.39 -2.65 -0.54 0.00 0.00 174.62 171.84 1xsb n PRO 45 N 3.32 -0.21 -1.47 3.99 -0.02 -1.26 -3.20 135.00 136.15 1xsb n PRO 45 Ca -0.16 -0.02 -0.45 0.00 -2.02 0.00 0.00 63.50 60.85 1xsb n PRO 45 Cb 0.56 -1.83 -0.10 0.00 -0.02 0.00 0.00 33.50 32.12 1xsb n PRO 45 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xsb n PRO 46 N -1.46 0.52 -4.51 0.52 -0.02 -1.26 -4.78 135.00 124.00 1xsb n PRO 46 Ca 0.07 0.07 -0.34 0.00 -2.02 0.00 0.00 63.50 61.28 1xsb n PRO 46 Cb 0.53 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.71 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 7.74 2.84 0.33 -0.52 1.02 -1.26 -2.65 119.74 127.24 1xsb s LYS 47 Ca 1.18 -0.50 -0.01 0.00 0.02 0.00 0.00 55.97 56.67 1xsb s LYS 47 Cb -0.94 -2.67 -0.01 0.00 -0.52 0.00 0.00 37.83 33.69 1xsb s LYS 47 CO 0.46 0.68 0.41 0.20 -0.92 0.00 0.00 175.35 176.18 1xsb s GLY 48 N -0.88 1.62 -0.11 -3.33 0.00 -1.18 -4.99 107.32 98.44 1xsb s GLY 48 Ca 0.13 -1.61 -0.03 0.00 0.00 0.00 0.00 44.72 43.21 1xsb s GLY 48 CO 0.02 -1.10 0.01 0.30 0.00 0.00 0.00 173.10 172.33 1xsb s HIS 49 N -3.24 3.18 -0.02 1.90 3.76 -1.26 -2.49 115.29 117.11 1xsb s HIS 49 Ca 0.33 0.13 -0.21 0.00 -0.15 0.00 0.00 55.06 55.16 1xsb s HIS 49 Cb 0.01 -1.86 -0.05 0.00 1.11 0.00 0.00 32.58 31.79 1xsb s HIS 49 CO 0.21 0.38 0.62 0.54 -0.85 0.00 0.00 174.74 175.64 1xsb s VAL 50 N -0.57 4.93 0.84 -0.90 0.11 -1.23 -4.93 120.40 118.65 1xsb s VAL 50 Ca 0.10 1.30 -0.14 0.00 -2.93 0.00 0.00 61.98 60.30 1xsb s VAL 50 Cb -0.12 -3.96 0.21 0.00 -1.53 0.00 0.00 36.38 30.98 1xsb s VAL 50 CO 0.02 0.38 0.70 1.21 -3.33 0.00 0.00 175.10 174.08 1xsb n GLU 51 N 2.97 -2.66 0.03 1.54 2.13 -1.26 -4.93 120.64 118.47 1xsb n GLU 51 Ca -0.05 -1.13 -0.02 0.00 0.66 0.00 0.00 57.16 56.62 1xsb n GLU 51 Cb 0.51 -1.11 -0.01 0.00 0.27 0.00 0.00 31.44 31.10 1xsb n GLU 51 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 1xsb h PRO 52 N 0.00 -0.10 -0.79 5.31 0.13 -1.99 -3.28 132.00 131.29 1xsb h PRO 52 Ca -0.27 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1xsb h PRO 52 Cb 0.84 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1xsb h PRO 52 CO 0.17 -0.06 0.00 0.41 -0.23 0.00 0.00 178.00 178.29 1xsb n GLY 53 N 1.04 0.97 3.89 1.56 0.00 -1.26 -4.82 105.19 106.56 1xsb n GLY 53 Ca -0.01 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.22 3.71 0.73 1.61 2.12 -1.24 -5.07 118.70 119.34 1xsb s GLU 54 Ca 0.00 0.15 -0.11 0.00 0.36 0.00 0.00 54.97 55.37 1xsb s GLU 54 Cb 0.00 -2.63 0.03 0.00 0.26 0.00 0.00 34.13 31.79 1xsb s GLU 54 CO 0.00 0.24 1.08 0.34 -0.54 0.00 0.00 175.26 176.38 1xsb s ASP 55 N -2.82 5.15 -0.06 -1.70 2.15 -1.26 -4.77 116.67 113.36 1xsb s ASP 55 Ca 0.46 1.41 -0.11 0.00 0.43 0.00 0.00 52.55 54.74 1xsb s ASP 55 Cb -0.11 -2.24 -0.07 0.00 -0.30 0.00 0.00 42.92 40.21 1xsb s ASP 55 CO 0.26 -1.56 0.43 0.44 -0.17 0.00 0.00 175.17 174.57 1xsb h ASP 56 N -0.80 -0.25 -0.67 -0.34 3.45 -1.97 -3.04 116.42 112.79 1xsb h ASP 56 Ca -0.45 -0.06 -0.03 0.00 0.43 0.00 0.00 57.03 56.92 1xsb h ASP 56 Cb 1.24 0.07 -0.03 0.00 -0.56 0.00 0.00 39.33 40.04 1xsb h ASP 56 CO 0.59 0.23 0.29 0.25 -1.57 0.00 0.00 179.24 179.04 1xsb h LEU 57 N -1.06 0.90 -0.95 1.55 5.85 -1.98 -2.47 115.31 117.15 1xsb h LEU 57 Ca -0.03 -0.15 0.12 0.00 0.84 0.00 0.00 57.88 58.66 1xsb h LEU 57 Cb 0.30 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.01 1xsb h LEU 57 CO 0.05 0.80 0.58 -0.33 -0.34 0.00 0.00 178.44 179.20 1xsb h GLU 58 N 0.93 0.88 -0.87 1.25 3.07 -1.97 0.47 114.58 118.34 1xsb h GLU 58 Ca 0.23 -0.05 0.06 0.00 -0.50 0.00 0.00 59.36 59.09 1xsb h GLU 58 Cb 0.17 -0.20 -0.06 0.00 -0.84 0.00 0.00 28.75 27.82 1xsb h GLU 58 CO -0.02 0.58 0.54 1.15 -1.40 0.00 0.00 179.01 179.86 1xsb h THR 59 N 0.90 1.07 -0.46 1.13 2.02 -1.32 1.13 112.91 117.38 1xsb h THR 59 Ca 0.48 -0.35 -0.10 0.00 0.77 0.00 0.00 66.41 67.21 1xsb h THR 59 Cb 0.50 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1xsb h THR 59 CO -0.28 0.18 -0.12 0.00 0.37 0.00 0.00 175.52 175.68 1xsb h ALA 60 N 1.40 0.64 0.14 6.16 0.00 -0.34 -0.09 119.26 127.16 1xsb h ALA 60 Ca 0.37 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1xsb h ALA 60 Cb 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xsb h ALA 60 CO -0.16 0.54 -0.07 -0.07 0.00 0.00 0.00 179.25 179.49 1xsb h LEU 61 N 0.74 -0.16 -0.73 0.00 3.38 0.16 0.39 115.31 119.09 1xsb h LEU 61 Ca 0.12 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1xsb h LEU 61 Cb 0.67 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.43 1xsb h LEU 61 CO 0.05 0.02 0.48 -0.09 0.09 0.00 0.00 178.44 178.99 1xsb h ARG 62 N -0.35 0.95 -0.06 1.13 2.43 0.13 -2.09 114.38 116.52 1xsb h ARG 62 Ca -0.02 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.96 1xsb h ARG 62 Cb 0.28 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1xsb h ARG 62 CO 0.03 0.63 -0.55 0.00 -1.51 0.00 0.00 179.97 178.57 1xsb h ALA 63 N 1.27 0.96 -0.51 2.80 0.00 -0.84 -1.99 119.26 120.96 1xsb h ALA 63 Ca 0.27 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.70 1xsb h ALA 63 Cb -0.11 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1xsb h ALA 63 CO -0.06 0.69 0.30 1.15 0.00 0.00 0.00 179.25 181.33 1xsb h THR 64 N 0.13 1.04 0.22 0.00 2.02 0.49 0.20 112.91 117.01 1xsb h THR 64 Ca -0.00 -0.20 -0.32 0.00 0.77 0.00 0.00 66.41 66.66 1xsb h THR 64 Cb 1.02 0.40 0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1xsb h THR 64 CO 0.08 0.11 -1.41 -0.61 0.37 0.00 0.00 175.52 174.06 1xsb h GLN 65 N 0.59 0.49 -0.69 6.66 5.75 -0.21 0.17 115.11 127.88 1xsb h GLN 65 Ca 0.21 -0.82 -0.07 0.00 -0.15 0.00 0.00 58.65 57.82 1xsb h GLN 65 Cb 0.04 0.30 -0.03 0.00 1.07 0.00 0.00 27.48 28.86 1xsb h GLN 65 CO -0.10 1.39 0.15 0.93 -2.65 0.00 0.00 178.83 178.55 1xsb h GLU 66 N 0.15 1.11 -0.32 1.69 4.39 -1.17 3.60 114.58 124.02 1xsb h GLU 66 Ca -0.22 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.21 1xsb h GLU 66 Cb 2.10 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.61 1xsb h GLU 66 CO 0.26 0.98 0.00 0.39 -1.16 0.00 0.00 179.01 179.48 1xsb n GLU 67 N -4.23 2.47 0.00 2.33 1.02 0.69 -4.22 120.64 118.70 1xsb n GLU 67 Ca 0.05 -2.22 0.00 0.00 -0.02 0.00 0.00 57.16 54.97 1xsb n GLU 67 Cb 0.27 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 1.47 0.45 -0.12 0.62 0.00 0.95 -4.26 120.51 119.61 1xsb n ALA 68 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1xsb n ALA 68 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.12 0.98 3.70 0.00 0.00 1.19 0.47 105.19 111.65 1xsb n GLY 69 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.50 5.13 0.37 -0.61 1.01 -1.21 -4.75 121.20 118.64 1xsb s ILE 70 Ca 0.00 0.09 0.09 0.00 0.00 0.00 0.00 60.65 60.82 1xsb s ILE 70 Cb 0.00 -3.32 -0.07 0.00 0.01 0.00 0.00 42.46 39.08 1xsb s ILE 70 CO 0.00 0.47 -0.05 -0.70 0.00 0.00 0.00 174.94 174.66 1xsb s GLU 71 N 0.22 1.89 0.35 2.79 2.12 -1.26 -0.03 118.70 124.78 1xsb s GLU 71 Ca 0.07 -1.99 0.16 0.00 0.36 0.00 0.00 54.97 53.56 1xsb s GLU 71 Cb -0.12 -1.69 1.15 0.00 0.26 0.00 0.00 34.13 33.73 1xsb s GLU 71 CO -0.01 0.06 1.64 0.00 -0.54 0.00 0.00 175.26 176.42 1xsb h ALA 72 N 1.91 2.01 0.00 6.30 0.00 -1.86 3.14 119.26 130.76 1xsb h ALA 72 Ca -0.43 0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xsb h ALA 72 Cb 1.25 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1xsb h ALA 72 CO 0.74 -0.67 -0.01 0.78 0.00 0.00 0.00 179.25 180.09 1xsb h GLY 73 N 0.25 0.00 -0.17 0.00 0.00 -1.98 -1.30 103.07 99.86 1xsb h GLY 73 Ca 0.76 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.09 1xsb h GLY 73 CO -0.65 0.00 -0.63 -1.06 0.00 0.00 0.00 176.54 174.20 1xsb n GLN 74 N -4.23 0.56 -3.08 4.80 6.02 1.03 -4.97 117.38 117.51 1xsb n GLN 74 Ca -0.03 -0.43 -0.11 0.00 -0.01 0.00 0.00 57.00 56.42 1xsb n GLN 74 Cb 0.10 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.84 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 -0.85 0.00 -3.70 1.08 -0.00 -0.15 -1.46 117.00 111.92 1xsb n LEU 75 Ca 0.07 -1.39 -0.29 0.00 -0.00 0.00 0.00 56.01 54.40 1xsb n LEU 75 Cb 0.38 0.44 -0.16 0.00 -0.00 0.00 0.00 43.42 44.09 1xsb n LEU 75 CO 0.34 -0.21 -0.34 -0.89 -0.00 0.00 0.00 177.39 176.28 1xsb s THR 76 N -2.20 0.56 0.02 1.47 2.01 0.13 -4.78 115.64 112.85 1xsb s THR 76 Ca 0.09 -0.94 -0.30 0.00 0.31 0.00 0.00 61.69 60.84 1xsb s THR 76 Cb 0.00 -1.28 -0.06 0.00 0.01 0.00 0.00 72.50 71.17 1xsb s THR 76 CO 0.06 -0.50 1.39 -0.63 -0.69 0.00 0.00 174.62 174.26 1xsb s ILE 77 N 1.80 3.66 0.13 1.82 -1.09 -1.26 -2.02 121.20 124.24 1xsb s ILE 77 Ca 0.05 1.08 -0.24 0.00 -2.23 0.00 0.00 60.65 59.32 1xsb s ILE 77 Cb -0.17 -3.70 -0.07 0.00 -1.58 0.00 0.00 42.46 36.94 1xsb s ILE 77 CO -0.20 0.01 0.72 -0.63 -1.23 0.00 0.00 174.94 173.61 1xsb s ILE 78 N 2.16 4.50 0.10 2.92 1.09 0.18 -4.97 121.20 127.18 1xsb s ILE 78 Ca 0.64 1.57 0.01 0.00 -1.10 0.00 0.00 60.65 61.77 1xsb s ILE 78 Cb -0.32 -4.07 -0.04 0.00 -1.06 0.00 0.00 42.46 36.97 1xsb s ILE 78 CO 0.27 0.51 0.24 -1.61 -0.10 0.00 0.00 174.94 174.26 1xsb s GLU 79 N -1.02 3.44 0.00 2.79 2.02 -1.26 -4.39 118.70 120.28 1xsb s GLU 79 Ca 0.34 -0.50 0.00 0.00 0.02 0.00 0.00 54.97 54.83 1xsb s GLU 79 Cb -0.22 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 31.00 1xsb s GLU 79 CO 0.24 0.57 0.00 0.41 0.02 0.00 0.00 175.26 176.50 1xsb n GLY 80 N -0.04 2.82 3.49 -1.39 0.00 -1.26 -5.04 105.19 103.76 1xsb n GLY 80 Ca -0.06 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 -2.62 3.06 -0.25 1.61 2.19 -1.26 -5.08 117.98 115.64 1xsb s PHE 81 Ca 0.00 -0.33 -0.13 0.00 0.33 0.00 0.00 56.93 56.80 1xsb s PHE 81 Cb 0.00 -2.04 0.08 0.00 -1.31 0.00 0.00 43.02 39.75 1xsb s PHE 81 CO 0.00 -0.12 0.60 0.21 1.83 0.00 0.00 175.22 177.74 1xsb s LYS 82 N 0.71 0.59 -0.27 10.12 2.20 -1.26 -4.66 119.74 127.16 1xsb s LYS 82 Ca -0.00 1.14 -0.23 0.00 -0.36 0.00 0.00 55.97 56.52 1xsb s LYS 82 Cb -0.14 0.20 0.07 0.00 -1.51 0.00 0.00 37.83 36.46 1xsb s LYS 82 CO 0.02 -0.16 0.73 0.50 -0.36 0.00 0.00 175.35 176.07 1xsb s ARG 83 N 1.80 0.79 -0.04 4.03 3.52 -1.25 -5.03 118.95 122.77 1xsb s ARG 83 Ca -0.09 1.04 0.05 0.00 -0.13 0.00 0.00 55.73 56.60 1xsb s ARG 83 Cb -0.07 0.34 -0.03 0.00 -1.56 0.00 0.00 34.95 33.63 1xsb s ARG 83 CO -0.18 -0.11 -0.17 -1.83 -0.81 0.00 0.00 175.30 172.21 1xsb s GLU 84 N 0.69 2.40 -0.19 5.12 1.03 -1.25 -1.65 118.70 124.85 1xsb s GLU 84 Ca -0.02 -0.76 -0.18 0.00 0.03 0.00 0.00 54.97 54.04 1xsb s GLU 84 Cb -0.05 -2.31 -0.03 0.00 -0.80 0.00 0.00 34.13 30.94 1xsb s GLU 84 CO -0.05 0.61 0.48 -0.51 -1.33 0.00 0.00 175.26 174.47 1xsb s LEU 85 N -0.76 4.16 -0.17 1.83 1.43 0.28 -4.74 118.68 120.71 1xsb s LEU 85 Ca 0.11 0.64 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 1xsb s LEU 85 Cb -0.10 -2.66 0.01 0.00 0.03 0.00 0.00 46.19 43.47 1xsb s LEU 85 CO 0.01 -0.14 -0.18 0.20 0.23 0.00 0.00 176.35 176.47 1xsb s ASN 86 N 1.09 3.36 -0.07 2.29 0.01 -1.26 -0.55 114.94 119.82 1xsb s ASN 86 Ca 0.23 -0.57 -0.29 0.00 -0.71 0.00 0.00 52.86 51.51 1xsb s ASN 86 Cb -0.15 -1.51 0.11 0.00 0.41 0.00 0.00 41.25 40.10 1xsb s ASN 86 CO 0.09 0.04 0.90 -0.72 -1.51 0.00 0.00 177.10 175.90 1xsb s TYR 87 N 1.08 -0.40 -0.37 2.20 -0.85 -1.16 -4.95 117.35 112.90 1xsb s TYR 87 Ca -0.00 0.50 -0.02 0.00 -0.52 0.00 0.00 57.07 57.03 1xsb s TYR 87 Cb -0.14 0.49 0.09 0.00 0.38 0.00 0.00 41.96 42.78 1xsb s TYR 87 CO -0.06 -0.48 0.13 0.54 -1.52 0.00 0.00 175.55 174.16 1xsb s VAL 88 N -2.10 3.09 0.00 -3.49 0.11 -1.26 -1.27 120.40 115.48 1xsb s VAL 88 Ca 0.00 -1.91 0.00 0.00 -2.93 0.00 0.00 61.98 57.14 1xsb s VAL 88 Cb -0.01 -3.05 0.00 0.00 -1.53 0.00 0.00 36.38 31.80 1xsb s VAL 88 CO -0.03 -0.52 0.02 0.00 -3.33 0.00 0.00 175.10 171.23 1xsb n ALA 89 N 4.56 0.00 0.16 1.54 0.00 -1.25 -4.52 120.51 121.00 1xsb n ALA 89 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.26 1xsb n ALA 89 Cb 0.42 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.32 0.00 0.00 0.11 -2.05 -3.44 114.38 108.69 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 -0.18 0.00 -1.71 0.10 0.00 0.00 179.97 178.18 1xsb n ASN 91 N -5.21 0.00 -3.86 0.08 2.85 -1.26 -5.12 115.26 102.73 1xsb n ASN 91 Ca -0.09 -0.10 -0.23 0.00 -0.11 0.00 0.00 54.58 54.05 1xsb n ASN 91 Cb 0.17 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.02 1xsb n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1xsb s LYS 92 N 0.00 1.02 -0.05 1.20 2.47 -1.26 -5.06 119.74 118.05 1xsb s LYS 92 Ca 0.00 -0.09 -0.30 0.00 -1.56 0.00 0.00 55.97 54.02 1xsb s LYS 92 Cb 0.00 -1.15 -0.03 0.00 -1.46 0.00 0.00 37.83 35.19 1xsb s LYS 92 CO 0.00 -0.21 1.12 -1.25 0.16 0.00 0.00 175.35 175.17 1xsb s PRO 93 N 1.53 4.40 -0.09 4.03 0.04 -1.26 -3.81 135.00 139.84 1xsb s PRO 93 Ca -0.01 1.58 0.04 0.00 0.04 0.00 0.00 61.00 62.65 1xsb s PRO 93 Cb -0.13 -3.52 -0.01 0.00 0.04 0.00 0.00 34.50 30.88 1xsb s PRO 93 CO -0.04 -0.35 -0.21 0.15 0.04 0.00 0.00 177.00 176.59 1xsb s LYS 94 N 1.89 2.92 -0.32 4.56 1.02 -0.40 -0.68 119.74 128.74 1xsb s LYS 94 Ca 0.54 -0.82 -0.14 0.00 0.02 0.00 0.00 55.97 55.56 1xsb s LYS 94 Cb -0.23 -2.34 -0.02 0.00 -0.52 0.00 0.00 37.83 34.71 1xsb s LYS 94 CO 0.22 0.29 0.33 0.99 -0.92 0.00 0.00 175.35 176.27 1xsb s THR 95 N 0.08 5.20 -0.25 2.17 2.01 -0.81 -3.01 115.64 121.04 1xsb s THR 95 Ca -0.09 0.17 -0.04 0.00 0.31 0.00 0.00 61.69 62.03 1xsb s THR 95 Cb -0.15 -3.74 0.00 0.00 0.01 0.00 0.00 72.50 68.62 1xsb s THR 95 CO 0.06 0.03 -0.02 -0.69 -0.69 0.00 0.00 174.62 173.31 1xsb s VAL 96 N 1.97 3.40 -0.17 3.82 1.01 0.29 -1.55 120.40 129.17 1xsb s VAL 96 Ca 0.11 -0.68 -0.16 0.00 0.00 0.00 0.00 61.98 61.26 1xsb s VAL 96 Cb -0.16 -2.65 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1xsb s VAL 96 CO 0.11 0.28 0.37 -0.63 0.00 0.00 0.00 175.10 175.23 1xsb s ILE 97 N 1.45 5.24 -0.09 2.22 -1.09 -1.08 0.10 121.20 127.94 1xsb s ILE 97 Ca 0.04 0.69 0.03 0.00 -2.23 0.00 0.00 60.65 59.18 1xsb s ILE 97 Cb -0.16 -3.71 -0.01 0.00 -1.58 0.00 0.00 42.46 37.00 1xsb s ILE 97 CO -0.02 0.32 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.51 1xsb s TYR 98 N 0.84 2.65 -0.02 3.97 2.02 -0.66 -2.65 117.35 123.50 1xsb s TYR 98 Ca 0.19 -0.68 0.06 0.00 -0.37 0.00 0.00 57.07 56.27 1xsb s TYR 98 Cb -0.14 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 1xsb s TYR 98 CO 0.07 -0.20 -0.19 -1.58 -1.57 0.00 0.00 175.55 172.08 1xsb s TRP 99 N 0.07 2.55 0.24 2.71 0.51 -1.26 -3.92 118.94 119.85 1xsb s TRP 99 Ca -0.08 -0.27 -0.30 0.00 -2.12 0.00 0.00 56.10 53.34 1xsb s TRP 99 Cb -0.15 -1.55 -0.09 0.00 -0.81 0.00 0.00 33.47 30.87 1xsb s TRP 99 CO 0.05 0.13 1.03 -0.51 -0.51 0.00 0.00 176.95 177.14 1xsb s LEU 100 N -0.85 4.58 0.04 2.99 1.43 -1.26 -1.62 118.68 123.99 1xsb s LEU 100 Ca 0.12 2.08 0.01 0.00 -1.03 0.00 0.00 54.13 55.31 1xsb s LEU 100 Cb -0.10 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1xsb s LEU 100 CO 0.01 -0.03 -0.05 0.00 0.23 0.00 0.00 176.35 176.51 1xsb s ALA 101 N -0.94 0.46 -0.14 4.21 0.00 0.22 0.49 121.76 126.06 1xsb s ALA 101 Ca 0.44 -0.89 -0.00 0.00 0.00 0.00 0.00 51.96 51.51 1xsb s ALA 101 Cb -0.29 0.15 0.03 0.00 0.00 0.00 0.00 23.12 23.01 1xsb s ALA 101 CO 0.36 -0.18 -0.09 -2.00 0.00 0.00 0.00 175.76 173.85 1xsb s GLU 102 N -2.38 1.80 0.21 0.00 2.12 -0.86 0.30 118.70 119.90 1xsb s GLU 102 Ca -0.05 -0.46 -0.30 0.00 0.36 0.00 0.00 54.97 54.52 1xsb s GLU 102 Cb -0.04 -1.91 -0.08 0.00 0.26 0.00 0.00 34.13 32.36 1xsb s GLU 102 CO -0.03 -0.30 1.00 0.14 -0.54 0.00 0.00 175.26 175.52 1xsb s VAL 103 N 1.59 4.02 0.28 3.70 -7.23 -1.26 -0.69 120.40 120.82 1xsb s VAL 103 Ca 0.04 1.90 -0.01 0.00 -1.81 0.00 0.00 61.98 62.10 1xsb s VAL 103 Cb -0.13 -4.21 0.17 0.00 0.56 0.00 0.00 36.38 32.76 1xsb s VAL 103 CO -0.09 0.40 1.84 0.11 -0.31 0.00 0.00 175.10 177.05 1xsb h LYS 104 N 4.55 0.86 -5.81 4.82 1.79 -1.61 -3.43 116.57 117.75 1xsb h LYS 104 Ca -0.45 -0.16 -0.67 0.00 -2.18 0.00 0.00 60.65 57.20 1xsb h LYS 104 Cb 1.21 -0.14 -0.16 0.00 -1.58 0.00 0.00 32.23 31.56 1xsb h LYS 104 CO 0.69 0.74 -0.62 0.34 -1.08 0.00 0.00 179.45 179.53 1xsb s ASP 105 N -6.55 5.23 0.06 0.86 3.68 -1.26 -5.00 116.67 113.69 1xsb s ASP 105 Ca -0.10 0.11 -0.21 0.00 2.13 0.00 0.00 52.55 54.48 1xsb s ASP 105 Cb 0.16 -1.57 -0.12 0.00 -1.45 0.00 0.00 42.92 39.93 1xsb s ASP 105 CO 0.80 0.33 1.46 1.88 0.13 0.00 0.00 175.17 179.77 1xsb h TYR 106 N 5.51 0.34 -0.20 -5.34 0.05 -1.98 -1.84 116.97 113.51 1xsb h TYR 106 Ca -0.47 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.24 1xsb h TYR 106 Cb 1.19 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 38.84 1xsb h TYR 106 CO 0.61 0.57 0.00 -0.40 -1.05 0.00 0.00 178.16 177.89 1xsb n ASP 107 N -4.69 1.90 -3.68 3.88 3.85 -1.26 -4.95 116.55 111.60 1xsb n ASP 107 Ca -0.05 -2.16 -0.34 0.00 -0.71 0.00 0.00 54.79 51.53 1xsb n ASP 107 Cb 0.25 -0.37 0.01 0.00 -1.35 0.00 0.00 41.12 39.66 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 0.18 0.02 -1.86 2.12 3.14 -0.69 -4.75 118.33 116.49 1xsb n VAL 108 Ca 0.08 -0.43 -0.39 0.00 -2.96 0.00 0.00 64.34 60.64 1xsb n VAL 108 Cb 0.38 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.18 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 -0.87 3.63 -0.21 1.45 -1.05 -1.26 -5.00 118.70 115.39 1xsb s GLU 109 Ca 0.49 2.31 0.01 0.00 -0.15 0.00 0.00 54.97 57.63 1xsb s GLU 109 Cb -0.44 -2.58 0.05 0.00 -0.44 0.00 0.00 34.13 30.72 1xsb s GLU 109 CO 0.57 -0.83 -0.09 0.42 0.95 0.00 0.00 175.26 176.29 1xsb s ILE 110 N -1.25 1.58 -0.29 1.83 -1.09 -1.25 -4.37 121.20 116.36 1xsb s ILE 110 Ca 0.62 -1.04 -0.06 0.00 -2.23 0.00 0.00 60.65 57.95 1xsb s ILE 110 Cb -0.41 -1.71 0.02 0.00 -1.58 0.00 0.00 42.46 38.77 1xsb s ILE 110 CO 0.52 0.09 0.05 -0.13 -1.23 0.00 0.00 174.94 174.25 1xsb s ARG 111 N 1.41 2.95 0.01 2.79 3.00 1.71 -4.87 118.95 125.94 1xsb s ARG 111 Ca -0.02 -0.94 -0.05 0.00 0.00 0.00 0.00 55.73 54.71 1xsb s ARG 111 Cb -0.17 -3.30 -0.05 0.00 0.00 0.00 0.00 34.95 31.43 1xsb s ARG 111 CO -0.08 -0.47 0.24 -0.51 0.00 0.00 0.00 175.30 174.48 1xsb s LEU 112 N 1.44 4.37 0.43 2.53 1.43 -1.26 -0.03 118.68 127.59 1xsb s LEU 112 Ca 0.01 0.49 0.06 0.00 -1.03 0.00 0.00 54.13 53.65 1xsb s LEU 112 Cb -0.18 -2.67 0.01 0.00 0.03 0.00 0.00 46.19 43.38 1xsb s LEU 112 CO 0.01 0.25 0.60 -0.44 0.23 0.00 0.00 176.35 177.00 1xsb s SER 113 N -1.80 5.65 0.52 2.29 0.01 -1.25 -4.88 113.70 114.25 1xsb s SER 113 Ca 0.28 -0.22 0.37 0.00 1.31 0.00 0.00 55.95 57.69 1xsb s SER 113 Cb -0.13 -0.90 1.52 0.00 0.21 0.00 0.00 66.02 66.72 1xsb s SER 113 CO 0.17 -0.77 1.74 0.45 0.41 0.00 0.00 173.24 175.24 1xsb h HIS 114 N 0.55 0.13 -0.24 2.43 3.86 -1.99 1.41 115.15 121.30 1xsb h HIS 114 Ca -0.42 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.78 1xsb h HIS 114 Cb 1.28 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.70 1xsb h HIS 114 CO 0.40 -0.01 0.08 0.93 0.86 0.00 0.00 177.93 180.19 1xsb h GLU 115 N 0.06 0.33 -6.41 2.45 5.08 -1.95 -3.38 114.58 110.75 1xsb h GLU 115 Ca 0.67 -0.04 -0.63 0.00 -1.00 0.00 0.00 59.36 58.36 1xsb h GLU 115 Cb 2.50 -0.07 -0.26 0.00 0.50 0.00 0.00 28.75 31.43 1xsb h GLU 115 CO -0.08 0.29 -0.86 -1.01 -1.00 0.00 0.00 179.01 176.35 1xsb s HIS 116 N -5.16 2.05 -0.00 4.33 3.76 0.48 -0.48 115.29 120.27 1xsb s HIS 116 Ca -0.07 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.47 1xsb s HIS 116 Cb 0.17 -1.21 -0.02 0.00 1.11 0.00 0.00 32.58 32.62 1xsb s HIS 116 CO 0.72 0.13 0.03 0.00 -0.85 0.00 0.00 174.74 174.76 1xsb n GLN 117 N 1.72 0.72 -3.73 1.40 10.64 -0.37 -3.80 117.38 123.96 1xsb n GLN 117 Ca -0.17 -0.01 -0.12 0.00 -1.83 0.00 0.00 57.00 54.87 1xsb n GLN 117 Cb 0.53 -1.04 -0.07 0.00 -0.86 0.00 0.00 30.24 28.80 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 -2.09 -0.77 0.09 2.61 0.00 -1.25 -4.99 121.76 115.36 1xsb s ALA 118 Ca -0.01 0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.08 1xsb s ALA 118 Cb 0.01 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.39 1xsb s ALA 118 CO 0.06 -0.41 -0.06 1.52 0.00 0.00 0.00 175.76 176.87 1xsb s TYR 119 N -2.42 0.82 0.01 0.00 1.13 -1.26 0.20 117.35 115.83 1xsb s TYR 119 Ca -0.06 -0.94 -0.06 0.00 -1.41 0.00 0.00 57.07 54.60 1xsb s TYR 119 Cb -0.01 -0.49 -0.00 0.00 -1.10 0.00 0.00 41.96 40.36 1xsb s TYR 119 CO -0.02 -0.19 0.11 1.03 -2.51 0.00 0.00 175.55 173.96 1xsb s ARG 120 N -3.81 0.47 -0.39 -3.49 0.52 -0.72 -4.98 118.95 106.55 1xsb s ARG 120 Ca 0.10 -0.47 -0.08 0.00 -0.52 0.00 0.00 55.73 54.76 1xsb s ARG 120 Cb 0.06 0.19 0.06 0.00 0.52 0.00 0.00 34.95 35.77 1xsb s ARG 120 CO -0.06 -0.11 0.20 -1.58 0.02 0.00 0.00 175.30 173.77 1xsb s TRP 121 N -1.51 3.30 0.36 -0.53 0.52 -1.26 -2.85 118.94 116.97 1xsb s TRP 121 Ca -0.14 -1.43 0.03 0.00 0.02 0.00 0.00 56.10 54.58 1xsb s TRP 121 Cb -0.07 -2.66 -0.05 0.00 -1.15 0.00 0.00 33.47 29.54 1xsb s TRP 121 CO 0.01 -0.78 0.09 -0.51 0.02 0.00 0.00 176.95 175.77 1xsb s LEU 122 N 1.43 2.07 0.00 2.99 1.02 -1.25 -4.93 118.68 120.01 1xsb s LEU 122 Ca 0.02 -1.50 -0.12 0.00 0.02 0.00 0.00 54.13 52.54 1xsb s LEU 122 Cb -0.21 -0.26 0.19 0.00 0.02 0.00 0.00 46.19 45.93 1xsb s LEU 122 CO 0.03 -0.75 1.17 0.61 0.02 0.00 0.00 176.35 177.42 1xsb n GLY 123 N -0.78 -0.97 0.37 -3.19 0.00 -1.26 -1.65 105.19 97.72 1xsb n GLY 123 Ca -0.04 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 1.08 0.28 0.99 5.85 -1.95 0.45 115.31 122.01 1xsb h LEU 124 Ca -0.38 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1xsb h LEU 124 Cb 1.11 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 1xsb h LEU 124 CO 0.29 0.74 -0.26 1.05 -0.34 0.00 0.00 178.44 179.92 1xsb h GLU 125 N 1.26 -0.55 -0.14 1.25 4.11 -1.95 0.54 114.58 119.10 1xsb h GLU 125 Ca 0.40 0.04 -0.08 0.00 0.07 0.00 0.00 59.36 59.78 1xsb h GLU 125 Cb 0.01 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1xsb h GLU 125 CO -0.13 -0.37 -0.24 0.93 0.07 0.00 0.00 179.01 179.28 1xsb h GLU 126 N -0.57 0.40 -0.70 1.06 3.07 -1.86 0.35 114.58 116.33 1xsb h GLU 126 Ca -0.01 -0.25 0.18 0.00 -0.50 0.00 0.00 59.36 58.78 1xsb h GLU 126 Cb 0.52 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.42 1xsb h GLU 126 CO -0.05 0.84 0.49 0.00 -1.40 0.00 0.00 179.01 178.90 1xsb h ALA 127 N 0.55 2.49 0.21 3.43 0.00 0.02 0.47 119.26 126.43 1xsb h ALA 127 Ca 0.01 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.59 1xsb h ALA 127 Cb 0.82 0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.66 1xsb h ALA 127 CO 0.05 -0.69 -1.40 0.00 0.00 0.00 0.00 179.25 177.21 1xsb h GLN 129 N 0.12 0.33 -0.37 0.00 -0.00 0.38 -3.05 115.11 112.53 1xsb h GLN 129 Ca -0.21 -0.09 -0.08 0.00 -0.00 0.00 0.00 58.65 58.27 1xsb h GLN 129 Cb 2.10 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 29.53 1xsb h GLN 129 CO 0.25 0.48 -0.07 -0.07 -0.00 0.00 0.00 178.83 179.42 1xsb h LEU 130 N 0.14 0.70 -4.60 0.06 3.38 -0.49 -3.08 115.31 111.41 1xsb h LEU 130 Ca 0.06 -0.35 -0.45 0.00 0.09 0.00 0.00 57.88 57.23 1xsb h LEU 130 Cb 0.30 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1xsb h LEU 130 CO 0.00 0.89 1.98 0.00 0.09 0.00 0.00 178.44 181.40 1xsb n ALA 131 N -2.43 6.88 -0.46 1.53 0.00 -0.80 -4.17 120.51 121.07 1xsb n ALA 131 Ca -0.02 -2.71 0.38 0.00 0.00 0.00 0.00 53.44 51.09 1xsb n ALA 131 Cb 0.33 -2.90 0.62 0.00 0.00 0.00 0.00 19.45 17.50 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 3.14 -0.02 -1.68 0.00 0.00 -1.17 -3.76 117.38 113.89 1xsb n GLN 132 Ca 0.61 1.05 -0.45 0.00 0.00 0.00 0.00 57.00 58.22 1xsb n GLN 132 Cb 0.51 -2.14 -0.04 0.00 0.00 0.00 0.00 30.24 28.58 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 -4.24 2.47 -0.15 2.61 3.01 -1.26 -4.83 117.46 115.07 1xsb n PHE 133 Ca 0.36 -0.05 0.07 0.00 1.01 0.00 0.00 57.45 58.83 1xsb n PHE 133 Cb 1.45 -2.69 0.39 0.00 -0.01 0.00 0.00 39.48 38.62 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 8.42 0.65 -0.64 -1.08 3.64 -1.96 -0.34 116.57 125.26 1xsb h LYS 134 Ca -0.47 -0.04 0.09 0.00 -1.27 0.00 0.00 60.65 58.96 1xsb h LYS 134 Cb 1.24 -0.15 -0.07 0.00 -0.41 0.00 0.00 32.23 32.85 1xsb h LYS 134 CO 0.94 0.43 0.29 0.93 -2.27 0.00 0.00 179.45 179.77 1xsb h GLU 135 N 0.67 0.50 0.10 1.90 5.08 -1.89 0.83 114.58 121.78 1xsb h GLU 135 Ca 0.29 -0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 58.45 1xsb h GLU 135 Cb 0.27 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.43 1xsb h GLU 135 CO -0.09 0.33 -0.72 0.52 -1.00 0.00 0.00 179.01 178.05 1xsb h MET 136 N 0.52 0.31 -0.46 2.33 2.86 -1.59 0.21 114.93 119.10 1xsb h MET 136 Ca 0.31 -0.47 0.10 0.00 -2.06 0.00 0.00 59.70 57.58 1xsb h MET 136 Cb 0.33 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 1xsb h MET 136 CO -0.26 1.19 0.32 0.87 1.06 0.00 0.00 176.91 180.09 1xsb h LYS 137 N -0.33 0.19 -0.00 1.72 1.57 -0.74 0.98 116.57 119.96 1xsb h LYS 137 Ca -0.12 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1xsb h LYS 137 Cb 1.53 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.80 1xsb h LYS 137 CO 0.14 0.13 -0.10 0.00 -0.57 0.00 0.00 179.45 179.05 1xsb h ALA 138 N 1.77 0.01 -0.12 3.86 0.00 0.78 -0.20 119.26 125.36 1xsb h ALA 138 Ca 0.21 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.72 1xsb h ALA 138 Cb 0.59 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1xsb h ALA 138 CO -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.18 1xsb h ALA 139 N 0.23 0.10 0.00 0.00 0.00 0.93 2.52 119.26 123.04 1xsb h ALA 139 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xsb h ALA 139 Cb 0.87 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1xsb h ALA 139 CO 0.02 -0.46 -0.04 -0.07 0.00 0.00 0.00 179.25 178.71 1xsb h LEU 140 N 0.04 0.00 0.03 0.00 3.38 0.85 0.41 115.31 120.02 1xsb h LEU 140 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xsb h LEU 140 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xsb h LEU 140 CO -0.09 0.04 -0.02 1.56 0.09 0.00 0.00 178.44 180.02 1xsb h GLN 141 N 0.00 -0.04 -0.28 1.13 1.08 0.15 -2.88 115.11 114.28 1xsb h GLN 141 Ca -0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.12 1xsb h GLN 141 Cb 0.07 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1xsb h GLN 141 CO 0.00 0.61 -0.19 0.93 -0.95 0.00 0.00 178.83 179.24 1xsb h GLU 142 N -0.93 0.51 0.01 1.46 5.08 0.44 -0.27 114.58 120.87 1xsb h GLU 142 Ca -0.00 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1xsb h GLU 142 Cb 0.67 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1xsb h GLU 142 CO 0.01 0.68 -0.01 0.78 -1.00 0.00 0.00 179.01 179.46 1xsb h GLY 143 N 0.98 -0.01 0.99 -3.84 0.00 -0.29 0.15 103.07 101.04 1xsb h GLY 143 Ca 0.08 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.38 1xsb h GLY 143 CO 0.04 -0.01 0.21 0.84 0.00 0.00 0.00 176.54 177.62 1xsb h HIS 144 N -0.02 0.87 -0.66 5.60 -0.00 -1.27 -1.45 115.15 118.23 1xsb h HIS 144 Ca 0.00 -0.07 0.04 0.00 -0.00 0.00 0.00 60.37 60.34 1xsb h HIS 144 Cb 0.02 -0.26 -0.05 0.00 -0.00 0.00 0.00 27.41 27.12 1xsb h HIS 144 CO -0.08 0.72 0.39 0.37 -0.00 0.00 0.00 177.93 179.33 1xsb h GLN 145 N 0.78 0.73 -0.03 5.26 5.75 -0.58 -1.95 115.11 125.07 1xsb h GLN 145 Ca 0.19 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 1xsb h GLN 145 Cb 0.23 -0.16 -0.00 0.00 1.07 0.00 0.00 27.48 28.62 1xsb h GLN 145 CO -0.01 0.48 -0.03 0.35 -2.65 0.00 0.00 178.83 176.97 1xsb h PHE 146 N 0.75 0.09 -0.86 3.99 3.04 -0.43 -2.95 116.94 120.56 1xsb h PHE 146 Ca 0.28 -0.03 0.13 0.00 3.98 0.00 0.00 57.97 62.33 1xsb h PHE 146 Cb 0.09 -0.02 -0.07 0.00 2.56 0.00 0.00 35.95 38.51 1xsb h PHE 146 CO -0.06 0.54 0.56 -0.07 -2.02 0.00 0.00 178.31 177.26 1xsb h LEU 147 N -0.38 0.65 -0.27 0.59 3.38 -1.12 1.25 115.31 119.41 1xsb h LEU 147 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xsb h LEU 147 Cb 0.53 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1xsb h LEU 147 CO 0.01 0.34 0.00 0.00 0.09 0.00 0.00 178.44 178.88 1xsb n SER 149 N -1.81 0.60 0.00 0.00 2.88 0.43 -4.33 113.62 111.39 1xsb n SER 149 Ca 0.03 -0.11 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1xsb n SER 149 Cb 0.21 0.33 0.00 0.00 -0.75 0.00 0.00 64.21 64.00 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 -1.83 0.00 0.91 2.46 5.41 -0.90 -4.73 119.36 120.68 1xsb n ILE 150 Ca 0.04 0.00 0.10 0.00 1.00 0.00 0.00 62.75 63.89 1xsb n ILE 150 Cb 0.40 0.00 0.51 0.00 -0.71 0.00 0.00 39.64 39.83 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 0.20 -2.13 0.38 0.28 -1.26 -4.79 120.64 113.32 1xsb n GLU 151 Ca 0.00 0.10 -0.38 0.00 -0.16 0.00 0.00 57.16 56.73 1xsb n GLU 151 Cb 0.00 -1.50 -0.00 0.00 1.43 0.00 0.00 31.44 31.37 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xsb s ALA 152 N -2.73 3.02 -1.25 -1.84 0.00 -1.26 -5.14 121.76 112.57 1xsb s ALA 152 Ca 0.17 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1xsb s ALA 152 Cb 0.14 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.82 1xsb s ALA 152 CO 0.35 -0.81 0.31 -0.11 0.00 0.00 0.00 175.76 175.50