#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 3.88 -0.01 1.61 0.04 -1.26 -5.02 135.00 134.24 1xsb s PRO 2 Ca 0.00 1.61 -0.21 0.00 0.04 0.00 0.00 61.00 62.44 1xsb s PRO 2 Cb 0.00 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 1xsb s PRO 2 CO 0.00 -0.41 0.63 -1.17 0.04 0.00 0.00 177.00 176.08 1xsb s LEU 3 N -3.01 4.40 0.00 -3.56 2.96 -1.26 -4.52 118.68 113.69 1xsb s LEU 3 Ca 0.63 1.18 0.00 0.00 -0.22 0.00 0.00 54.13 55.72 1xsb s LEU 3 Cb -0.24 -2.97 0.00 0.00 0.50 0.00 0.00 46.19 43.48 1xsb s LEU 3 CO 0.29 0.05 0.00 0.61 -1.32 0.00 0.00 176.35 175.99 1xsb n GLY 4 N 2.57 0.84 3.60 7.98 0.00 -1.26 -5.09 105.19 113.84 1xsb n GLY 4 Ca -0.05 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.86 1xsb n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xsb s SER 5 N -1.77 2.14 0.42 1.61 0.15 -1.26 -4.98 113.70 110.00 1xsb s SER 5 Ca 0.00 1.65 -0.17 0.00 0.70 0.00 0.00 55.95 58.13 1xsb s SER 5 Cb 0.00 -2.31 -0.09 0.00 -1.71 0.00 0.00 66.02 61.91 1xsb s SER 5 CO 0.00 -3.50 0.88 -0.32 1.20 0.00 0.00 173.24 171.50 1xsb s MET 6 N -4.65 4.06 0.55 5.44 1.75 -1.26 -4.88 119.30 120.30 1xsb s MET 6 Ca 0.67 0.89 0.00 0.00 -1.25 0.00 0.00 55.69 56.00 1xsb s MET 6 Cb -0.22 -2.26 0.00 0.00 2.84 0.00 0.00 34.83 35.19 1xsb s MET 6 CO 0.61 -0.03 0.00 0.00 -0.65 0.00 0.00 175.02 174.94 1xsb n ALA 7 N -0.85 -3.67 -2.82 4.11 0.00 -1.26 -4.84 120.51 111.18 1xsb n ALA 7 Ca 0.05 0.81 -0.36 0.00 0.00 0.00 0.00 53.44 53.94 1xsb n ALA 7 Cb 0.54 -1.49 -0.07 0.00 0.00 0.00 0.00 19.45 18.43 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 -7.07 4.16 0.01 0.00 1.02 -0.95 -5.00 118.68 110.84 1xsb s LEU 8 Ca 0.00 0.36 -0.26 0.00 0.02 0.00 0.00 54.13 54.25 1xsb s LEU 8 Cb 0.00 -2.01 -0.04 0.00 0.02 0.00 0.00 46.19 44.16 1xsb s LEU 8 CO 0.00 0.38 0.80 -0.60 0.02 0.00 0.00 176.35 176.95 1xsb s ARG 9 N -0.84 4.51 0.03 1.70 3.52 -1.26 -2.33 118.95 124.27 1xsb s ARG 9 Ca 0.14 1.11 -0.01 0.00 -0.13 0.00 0.00 55.73 56.84 1xsb s ARG 9 Cb -0.12 -3.41 -0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1xsb s ARG 9 CO 0.03 0.14 -0.01 0.00 -0.81 0.00 0.00 175.30 174.65 1xsb s ALA 10 N 0.44 0.15 -0.08 6.12 0.00 0.00 -3.31 121.76 125.08 1xsb s ALA 10 Ca 0.42 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 1xsb s ALA 10 Cb -0.20 0.18 0.05 0.00 0.00 0.00 0.00 23.12 23.14 1xsb s ALA 10 CO 0.23 -0.22 0.16 0.00 0.00 0.00 0.00 175.76 175.94 1xsb s GLY 12 N 1.88 2.75 -0.20 0.00 0.00 -1.04 -3.46 107.32 107.25 1xsb s GLY 12 Ca -0.02 -1.22 0.01 0.00 0.00 0.00 0.00 44.72 43.49 1xsb s GLY 12 CO -0.06 -2.10 -0.17 1.08 0.00 0.00 0.00 173.10 171.85 1xsb s LEU 13 N -3.77 2.48 -0.61 0.66 1.43 -1.01 -3.88 118.68 113.98 1xsb s LEU 13 Ca 0.19 -0.81 -0.25 0.00 -1.03 0.00 0.00 54.13 52.24 1xsb s LEU 13 Cb 0.05 -1.51 0.04 0.00 0.03 0.00 0.00 46.19 44.80 1xsb s LEU 13 CO 0.10 -0.05 1.05 -0.63 0.23 0.00 0.00 176.35 177.05 1xsb s ILE 14 N 1.26 4.19 -0.03 -0.59 1.01 -0.62 -4.48 121.20 121.94 1xsb s ILE 14 Ca 0.02 0.26 -0.15 0.00 0.00 0.00 0.00 60.65 60.78 1xsb s ILE 14 Cb -0.15 -4.67 -0.05 0.00 0.01 0.00 0.00 42.46 37.60 1xsb s ILE 14 CO -0.11 -1.36 0.40 -0.63 0.00 0.00 0.00 174.94 173.24 1xsb s ILE 15 N 4.46 5.09 -0.06 2.92 1.01 -1.26 0.12 121.20 133.47 1xsb s ILE 15 Ca 0.31 0.81 -0.01 0.00 0.00 0.00 0.00 60.65 61.76 1xsb s ILE 15 Cb -0.12 -3.71 0.03 0.00 0.01 0.00 0.00 42.46 38.67 1xsb s ILE 15 CO 0.17 0.53 0.01 0.72 0.00 0.00 0.00 174.94 176.37 1xsb s PHE 16 N -0.70 0.54 -0.28 3.97 -0.71 1.74 -1.99 117.98 120.55 1xsb s PHE 16 Ca 0.23 -0.08 -0.26 0.00 -1.04 0.00 0.00 56.93 55.78 1xsb s PHE 16 Cb -0.16 -0.70 0.00 0.00 -1.21 0.00 0.00 43.02 40.95 1xsb s PHE 16 CO 0.12 -0.28 0.90 0.50 -1.34 0.00 0.00 175.22 175.12 1xsb s ARG 17 N 1.84 4.10 -0.04 1.99 6.06 0.33 -3.89 118.95 129.34 1xsb s ARG 17 Ca 0.02 0.91 -0.14 0.00 -2.50 0.00 0.00 55.73 54.02 1xsb s ARG 17 Cb -0.12 -3.69 -0.05 0.00 0.06 0.00 0.00 34.95 31.14 1xsb s ARG 17 CO -0.04 -0.67 0.39 0.50 -2.50 0.00 0.00 175.30 172.98 1xsb s ARG 18 N 3.10 3.96 0.20 5.12 3.52 -1.26 -2.19 118.95 131.39 1xsb s ARG 18 Ca 0.38 0.35 -0.18 0.00 -0.13 0.00 0.00 55.73 56.15 1xsb s ARG 18 Cb -0.14 -3.26 -0.08 0.00 -1.56 0.00 0.00 34.95 29.91 1xsb s ARG 18 CO 0.10 0.60 0.66 0.00 -0.81 0.00 0.00 175.30 175.85 1xsb h LEU 20 N 3.45 0.58 -7.56 0.00 5.85 -1.97 -3.43 115.31 112.22 1xsb h LEU 20 Ca -0.48 0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 1xsb h LEU 20 Cb 1.19 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 42.12 1xsb h LEU 20 CO 0.65 0.19 -0.03 0.27 -0.34 0.00 0.00 178.44 179.19 1xsb s ILE 21 N -5.91 0.05 0.62 4.05 -4.36 -1.26 -5.02 121.20 109.36 1xsb s ILE 21 Ca -0.12 -0.70 -0.19 0.00 -0.26 0.00 0.00 60.65 59.39 1xsb s ILE 21 Cb 0.24 -1.40 -0.03 0.00 1.25 0.00 0.00 42.46 42.51 1xsb s ILE 21 CO 0.79 -0.21 1.14 -2.65 0.24 0.00 0.00 174.94 174.25 1xsb n PRO 22 N -0.29 1.06 0.00 0.37 -0.02 -1.26 -4.98 135.00 129.88 1xsb n PRO 22 Ca -0.13 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1xsb n PRO 22 Cb 0.63 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 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 -1.39 0.00 0.00 -0.52 4.76 -1.26 -4.85 118.16 114.90 1xsb n LYS 23 Ca 0.14 0.00 0.11 0.00 -2.87 0.00 0.00 58.31 55.69 1xsb n LYS 23 Cb 0.47 0.00 0.55 0.00 -1.84 0.00 0.00 35.03 34.21 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 -0.64 0.33 -3.60 -0.18 0.31 -1.26 -4.87 118.33 108.42 1xsb n VAL 24 Ca 0.00 0.08 -0.23 0.00 -0.01 0.00 0.00 64.34 64.18 1xsb n VAL 24 Cb 0.00 -0.70 0.08 0.00 -0.91 0.00 0.00 33.84 32.30 1xsb n VAL 24 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xsb n ASP 25 N -1.35 -5.11 0.00 4.52 8.00 -1.26 -4.86 116.55 116.49 1xsb n ASP 25 Ca 0.09 -0.59 0.00 0.00 0.71 0.00 0.00 54.79 55.00 1xsb n ASP 25 Cb 0.21 -4.91 0.00 0.00 -0.02 0.00 0.00 41.12 36.39 1xsb n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xsb n ASN 26 N -3.03 0.00 -3.64 -2.24 2.85 -1.26 -4.96 115.26 102.99 1xsb n ASN 26 Ca -0.06 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.02 1xsb n ASN 26 Cb 0.59 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.61 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 -1.35 6.40 -0.02 1.20 6.94 -1.26 -4.79 115.26 122.38 1xsb n ASN 27 Ca 0.00 -3.59 0.07 0.00 -0.02 0.00 0.00 54.58 51.04 1xsb n ASN 27 Cb 0.00 -1.08 0.46 0.00 -2.36 0.00 0.00 39.78 36.80 1xsb n ASN 27 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xsb h ALA 28 N 4.41 1.83 -4.01 -2.53 0.00 -1.96 -3.41 119.26 113.59 1xsb h ALA 28 Ca 0.35 -0.02 -0.69 0.00 0.00 0.00 0.00 54.91 54.55 1xsb h ALA 28 Cb 0.46 -0.13 -0.27 0.00 0.00 0.00 0.00 17.79 17.85 1xsb h ALA 28 CO 1.15 0.11 -0.81 0.42 0.00 0.00 0.00 179.25 180.12 1xsb s ILE 29 N -5.44 2.68 0.20 0.00 1.01 -1.26 -3.23 121.20 115.16 1xsb s ILE 29 Ca -0.08 -0.85 0.11 0.00 0.00 0.00 0.00 60.65 59.83 1xsb s ILE 29 Cb 0.18 -2.03 -0.04 0.00 0.01 0.00 0.00 42.46 40.58 1xsb s ILE 29 CO 0.74 0.57 -0.22 -1.61 0.00 0.00 0.00 174.94 174.42 1xsb s GLU 30 N -0.42 1.50 0.15 2.79 2.02 -0.93 -4.08 118.70 119.72 1xsb s GLU 30 Ca 0.04 -1.55 0.10 0.00 0.02 0.00 0.00 54.97 53.58 1xsb s GLU 30 Cb -0.12 -1.74 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 1xsb s GLU 30 CO 0.02 0.36 -0.20 -0.06 0.02 0.00 0.00 175.26 175.40 1xsb s PHE 31 N -1.90 2.45 -0.09 1.61 0.08 -0.97 0.12 117.98 119.28 1xsb s PHE 31 Ca 0.22 -0.30 -0.27 0.00 0.12 0.00 0.00 56.93 56.69 1xsb s PHE 31 Cb -0.07 -1.27 -0.02 0.00 -0.57 0.00 0.00 43.02 41.09 1xsb s PHE 31 CO 0.10 0.42 0.86 -1.17 -0.10 0.00 0.00 175.22 175.33 1xsb s LEU 32 N -2.34 4.27 -0.05 -0.37 2.96 -0.84 -3.89 118.68 118.42 1xsb s LEU 32 Ca 0.19 1.35 0.03 0.00 -0.22 0.00 0.00 54.13 55.48 1xsb s LEU 32 Cb -0.10 -3.32 0.01 0.00 0.50 0.00 0.00 46.19 43.28 1xsb s LEU 32 CO 0.10 -0.30 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.94 1xsb s LEU 33 N 1.49 1.76 -0.05 -0.68 1.43 -1.17 -4.62 118.68 116.84 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 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 1xsb s LEU 33 CO 0.19 0.08 0.04 -0.76 0.23 0.00 0.00 176.35 176.12 1xsb s LEU 34 N 0.38 3.74 0.33 1.79 1.43 -1.13 -1.61 118.68 123.62 1xsb s LEU 34 Ca -0.09 0.15 -0.25 0.00 -1.03 0.00 0.00 54.13 52.90 1xsb s LEU 34 Cb -0.13 -2.02 -0.10 0.00 0.03 0.00 0.00 46.19 43.97 1xsb s LEU 34 CO 0.03 0.33 0.94 -1.58 0.23 0.00 0.00 176.35 176.30 1xsb s GLN 35 N -1.28 4.54 0.00 1.70 0.74 0.52 -2.84 119.66 123.04 1xsb s GLN 35 Ca 0.18 1.30 0.16 0.00 0.05 0.00 0.00 55.36 57.04 1xsb s GLN 35 Cb -0.12 -2.73 0.68 0.00 1.10 0.00 0.00 33.01 31.94 1xsb s GLN 35 CO 0.07 0.25 1.49 0.00 -0.55 0.00 0.00 175.29 176.55 1xsb n ALA 36 N 0.43 1.73 0.00 1.58 0.00 -1.15 -3.45 120.51 119.67 1xsb n ALA 36 Ca 0.02 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xsb n ALA 36 Cb 0.50 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1xsb n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xsb n SER 37 N -1.47 0.00 -0.84 0.00 3.41 -1.25 -4.56 113.62 108.91 1xsb n SER 37 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 1xsb n SER 37 Cb 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1xsb n SER 37 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1xsb n ASP 38 N 1.30 0.00 0.00 4.04 4.64 -1.26 -4.93 116.55 120.33 1xsb n ASP 38 Ca 0.00 -0.84 0.00 0.00 -1.38 0.00 0.00 54.79 52.57 1xsb n ASP 38 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.08 1xsb n ASP 38 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1xsb n GLY 39 N 0.00 -0.68 0.00 0.27 0.00 -1.26 -2.89 105.19 100.64 1xsb n GLY 39 Ca 0.00 -1.14 0.05 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.27 -0.61 -5.35 -1.26 -4.77 119.36 105.09 1xsb n ILE 40 Ca 0.00 0.00 -0.10 0.00 -0.27 0.00 0.00 62.75 62.38 1xsb n ILE 40 Cb 0.00 -0.45 0.00 0.00 -1.74 0.00 0.00 39.64 37.45 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 -0.55 -2.08 4.28 8.25 -1.14 -4.99 115.22 118.26 1xsb n HIS 41 Ca 0.07 0.05 -0.35 0.00 -0.26 0.00 0.00 57.72 57.24 1xsb n HIS 41 Cb 0.03 -2.39 0.02 0.00 1.12 0.00 0.00 29.99 28.77 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 -2.55 2.61 -0.11 4.41 -3.43 -1.26 -4.68 115.29 110.28 1xsb s HIS 42 Ca 0.03 1.54 -0.04 0.00 -0.80 0.00 0.00 55.06 55.80 1xsb s HIS 42 Cb -0.01 -3.28 -0.04 0.00 -1.43 0.00 0.00 32.58 27.82 1xsb s HIS 42 CO 0.04 -1.70 0.05 -1.58 -2.00 0.00 0.00 174.74 169.54 1xsb s TRP 43 N -1.91 3.29 -0.00 0.38 0.52 -1.24 -2.92 118.94 117.07 1xsb s TRP 43 Ca 0.72 0.26 -0.18 0.00 0.02 0.00 0.00 56.10 56.92 1xsb s TRP 43 Cb -0.24 -1.87 0.03 0.00 -1.15 0.00 0.00 33.47 30.24 1xsb s TRP 43 CO 0.32 0.50 0.38 0.95 0.02 0.00 0.00 176.95 179.12 1xsb s THR 44 N -0.75 0.05 0.68 2.01 -4.23 -1.13 -4.30 115.64 107.97 1xsb s THR 44 Ca 0.12 -0.43 -0.15 0.00 -1.18 0.00 0.00 61.69 60.05 1xsb s THR 44 Cb -0.12 -0.77 0.01 0.00 1.34 0.00 0.00 72.50 72.97 1xsb s THR 44 CO 0.03 -0.23 1.15 -2.16 -0.54 0.00 0.00 174.62 172.86 1xsb s PRO 45 N -1.65 2.57 -0.09 3.99 0.04 -1.26 -2.82 135.00 135.77 1xsb s PRO 45 Ca -0.11 1.53 -0.31 0.00 0.04 0.00 0.00 61.00 62.16 1xsb s PRO 45 Cb -0.03 -1.91 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 1xsb s PRO 45 CO 0.03 -1.46 2.03 -0.35 0.04 0.00 0.00 177.00 177.29 1xsb n PRO 46 N -2.49 2.33 -4.15 0.56 -0.04 -1.26 -4.85 135.00 125.10 1xsb n PRO 46 Ca 0.12 0.80 -0.10 0.00 -0.04 0.00 0.00 63.50 64.28 1xsb n PRO 46 Cb 0.51 -2.92 -0.10 0.00 -0.04 0.00 0.00 33.50 30.95 1xsb n PRO 46 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1xsb s LYS 47 N 4.94 0.89 0.00 0.54 -2.85 -1.26 -2.41 119.74 119.59 1xsb s LYS 47 Ca 0.94 -1.41 0.00 0.00 -1.00 0.00 0.00 55.97 54.50 1xsb s LYS 47 Cb -0.52 0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.43 1xsb s LYS 47 CO 0.44 -0.22 0.00 0.41 0.10 0.00 0.00 175.35 176.08 1xsb n GLY 48 N -0.07 1.96 3.82 0.59 0.00 -1.22 -4.99 105.19 105.27 1xsb n GLY 48 Ca -0.07 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 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 -8.74 3.45 -0.05 1.61 3.76 -1.26 -3.01 115.29 111.04 1xsb s HIS 49 Ca 0.00 0.39 -0.14 0.00 -0.15 0.00 0.00 55.06 55.16 1xsb s HIS 49 Cb 0.00 -1.87 -0.05 0.00 1.11 0.00 0.00 32.58 31.77 1xsb s HIS 49 CO 0.00 0.64 0.38 0.54 -0.85 0.00 0.00 174.74 175.45 1xsb s VAL 50 N -1.04 5.14 0.60 -0.90 0.11 -1.21 -4.94 120.40 118.16 1xsb s VAL 50 Ca 0.17 0.75 -0.14 0.00 -2.93 0.00 0.00 61.98 59.83 1xsb s VAL 50 Cb -0.12 -3.69 -0.04 0.00 -1.53 0.00 0.00 36.38 31.01 1xsb s VAL 50 CO 0.06 0.52 1.04 -0.70 -3.33 0.00 0.00 175.10 172.69 1xsb s GLU 51 N -0.58 3.41 0.41 1.54 2.12 -1.26 -4.90 118.70 119.43 1xsb s GLU 51 Ca 0.22 1.05 0.14 0.00 0.36 0.00 0.00 54.97 56.74 1xsb s GLU 51 Cb -0.15 -2.05 0.99 0.00 0.26 0.00 0.00 34.13 33.17 1xsb s GLU 51 CO 0.11 -0.73 1.90 -1.00 -0.54 0.00 0.00 175.26 175.00 1xsb h PRO 52 N 0.23 0.48 -0.60 4.30 0.13 -2.00 0.81 132.00 135.35 1xsb h PRO 52 Ca -0.46 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1xsb h PRO 52 Cb 1.21 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1xsb h PRO 52 CO 0.59 0.32 0.00 0.41 -0.23 0.00 0.00 178.00 179.08 1xsb n GLY 53 N -1.50 2.83 3.91 1.56 0.00 -1.26 -4.95 105.19 105.79 1xsb n GLY 53 Ca 0.16 -0.81 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.73 3.53 0.75 1.61 2.12 0.28 -5.08 118.70 120.17 1xsb s GLU 54 Ca 0.47 -0.26 -0.11 0.00 0.36 0.00 0.00 54.97 55.43 1xsb s GLU 54 Cb 0.30 -2.95 0.04 0.00 0.26 0.00 0.00 34.13 31.78 1xsb s GLU 54 CO 0.24 0.54 1.08 0.34 -0.54 0.00 0.00 175.26 176.92 1xsb s ASP 55 N -2.45 4.86 -0.05 -1.70 3.68 -1.26 -4.71 116.67 115.04 1xsb s ASP 55 Ca 0.38 1.54 -0.12 0.00 2.13 0.00 0.00 52.55 56.48 1xsb s ASP 55 Cb -0.13 -2.33 -0.07 0.00 -1.45 0.00 0.00 42.92 38.94 1xsb s ASP 55 CO 0.26 -1.77 0.49 0.44 0.13 0.00 0.00 175.17 174.73 1xsb h ASP 56 N -0.94 -0.36 -0.71 -0.34 3.45 -1.98 -3.00 116.42 112.54 1xsb h ASP 56 Ca -0.45 0.01 -0.03 0.00 0.43 0.00 0.00 57.03 56.99 1xsb h ASP 56 Cb 1.24 0.09 -0.03 0.00 -0.56 0.00 0.00 39.33 40.07 1xsb h ASP 56 CO 0.57 0.08 0.31 0.25 -1.57 0.00 0.00 179.24 178.87 1xsb h LEU 57 N -1.10 0.96 -1.00 1.55 5.85 -1.97 -2.50 115.31 117.10 1xsb h LEU 57 Ca -0.04 -0.16 0.11 0.00 0.84 0.00 0.00 57.88 58.63 1xsb h LEU 57 Cb 0.33 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.03 1xsb h LEU 57 CO 0.07 0.85 0.63 -0.33 -0.34 0.00 0.00 178.44 179.32 1xsb h GLU 58 N 1.00 1.00 -0.83 1.25 3.07 -1.97 0.39 114.58 118.49 1xsb h GLU 58 Ca 0.24 -0.06 0.06 0.00 -0.50 0.00 0.00 59.36 59.10 1xsb h GLU 58 Cb 0.17 -0.23 -0.06 0.00 -0.84 0.00 0.00 28.75 27.79 1xsb h GLU 58 CO -0.02 0.66 0.51 1.15 -1.40 0.00 0.00 179.01 179.91 1xsb h THR 59 N 1.03 1.02 -0.40 1.13 2.02 -1.29 1.06 112.91 117.48 1xsb h THR 59 Ca 0.49 -0.32 -0.09 0.00 0.77 0.00 0.00 66.41 67.26 1xsb h THR 59 Cb 0.43 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1xsb h THR 59 CO -0.25 0.17 -0.10 0.00 0.37 0.00 0.00 175.52 175.71 1xsb h ALA 60 N 1.40 0.55 0.20 6.16 0.00 -0.47 0.92 119.26 128.01 1xsb h ALA 60 Ca 0.37 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xsb h ALA 60 Cb 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xsb h ALA 60 CO -0.18 0.42 -0.09 -0.07 0.00 0.00 0.00 179.25 179.33 1xsb h LEU 61 N 0.58 -0.22 -0.63 0.00 3.38 0.15 0.50 115.31 119.07 1xsb h LEU 61 Ca 0.10 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1xsb h LEU 61 Cb 0.63 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1xsb h LEU 61 CO 0.04 -0.14 0.36 -0.09 0.09 0.00 0.00 178.44 178.70 1xsb h ARG 62 N -0.29 0.87 -0.12 1.13 2.43 0.11 -2.05 114.38 116.46 1xsb h ARG 62 Ca -0.03 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 58.96 1xsb h ARG 62 Cb 0.22 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1xsb h ARG 62 CO 0.04 0.64 -0.35 0.00 -1.51 0.00 0.00 179.97 178.79 1xsb h ALA 63 N 1.18 1.18 -0.32 2.80 0.00 -0.55 -0.63 119.26 122.92 1xsb h ALA 63 Ca 0.22 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xsb h ALA 63 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1xsb h ALA 63 CO -0.04 0.55 0.20 1.15 0.00 0.00 0.00 179.25 181.11 1xsb h THR 64 N 0.22 1.09 0.23 0.00 2.02 0.72 0.33 112.91 117.51 1xsb h THR 64 Ca 0.03 -0.18 -0.33 0.00 0.77 0.00 0.00 66.41 66.70 1xsb h THR 64 Cb 0.73 0.65 0.03 0.00 -1.74 0.00 0.00 68.15 67.82 1xsb h THR 64 CO 0.06 0.09 -1.45 0.06 0.37 0.00 0.00 175.52 174.65 1xsb h GLN 65 N 0.42 0.49 -0.74 6.66 3.07 -0.62 0.70 115.11 125.09 1xsb h GLN 65 Ca 0.12 -0.83 -0.02 0.00 0.09 0.00 0.00 58.65 58.00 1xsb h GLN 65 Cb -0.03 0.31 -0.04 0.00 0.08 0.00 0.00 27.48 27.80 1xsb h GLN 65 CO -0.02 1.40 0.38 0.93 0.09 0.00 0.00 178.83 181.60 1xsb h GLU 66 N 0.13 1.04 -0.38 0.06 4.39 -1.03 2.82 114.58 121.62 1xsb h GLU 66 Ca -0.24 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1xsb h GLU 66 Cb 2.13 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 30.58 1xsb h GLU 66 CO 0.26 0.79 0.00 0.39 -1.16 0.00 0.00 179.01 179.29 1xsb n GLU 67 N -4.34 2.35 0.00 2.33 1.02 0.10 -4.18 120.64 117.92 1xsb n GLU 67 Ca 0.07 -2.13 0.00 0.00 -0.02 0.00 0.00 57.16 55.08 1xsb n GLU 67 Cb 0.12 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.12 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 1.14 0.22 -0.40 0.62 0.00 0.13 -4.32 120.51 117.91 1xsb n ALA 68 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1xsb n ALA 68 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.01 1.04 3.53 0.00 0.00 0.94 0.50 105.19 111.21 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 -2.96 4.56 0.45 -0.61 1.01 -1.21 -4.76 121.20 117.69 1xsb s ILE 70 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 60.65 60.61 1xsb s ILE 70 Cb 0.00 -3.11 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 1xsb s ILE 70 CO 0.00 0.37 0.17 -1.83 0.00 0.00 0.00 174.94 173.65 1xsb s GLU 71 N 1.17 2.19 0.43 2.79 -1.05 -1.26 -0.80 118.70 122.17 1xsb s GLU 71 Ca 0.05 -2.00 0.20 0.00 -0.15 0.00 0.00 54.97 53.06 1xsb s GLU 71 Cb -0.14 -1.88 1.14 0.00 -0.44 0.00 0.00 34.13 32.81 1xsb s GLU 71 CO 0.04 -0.23 1.85 0.00 0.95 0.00 0.00 175.26 177.87 1xsb h ALA 72 N 1.34 2.30 0.00 -0.84 0.00 -1.87 2.66 119.26 122.85 1xsb h ALA 72 Ca -0.42 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 1xsb h ALA 72 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xsb h ALA 72 CO 0.70 -0.59 0.00 0.41 0.00 0.00 0.00 179.25 179.77 1xsb n GLY 73 N -1.54 -0.68 0.00 0.00 0.00 -1.26 -2.14 105.19 99.57 1xsb n GLY 73 Ca 0.20 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 46.14 1xsb n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xsb n GLN 74 N -1.19 4.98 -2.77 1.61 6.02 0.87 -5.02 117.38 121.89 1xsb n GLN 74 Ca 0.09 -0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.99 1xsb n GLN 74 Cb 0.10 -0.67 -0.02 0.00 1.02 0.00 0.00 30.24 30.66 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 -1.15 0.00 -3.86 1.08 -0.00 -0.02 -0.22 117.00 112.82 1xsb n LEU 75 Ca 0.00 -0.98 -0.29 0.00 -0.00 0.00 0.00 56.01 54.74 1xsb n LEU 75 Cb 0.02 0.29 -0.16 0.00 -0.00 0.00 0.00 43.42 43.57 1xsb n LEU 75 CO 0.02 -0.15 -0.40 -0.89 -0.00 0.00 0.00 177.39 175.97 1xsb s THR 76 N -1.95 1.14 0.03 1.47 2.01 0.15 -4.79 115.64 113.70 1xsb s THR 76 Ca 0.05 -0.96 -0.30 0.00 0.31 0.00 0.00 61.69 60.80 1xsb s THR 76 Cb 0.00 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.98 1xsb s THR 76 CO 0.04 -0.14 1.03 -0.63 -0.69 0.00 0.00 174.62 174.23 1xsb s ILE 77 N 1.58 4.62 0.08 1.82 -1.09 -1.26 -1.66 121.20 125.28 1xsb s ILE 77 Ca -0.04 1.92 -0.17 0.00 -2.23 0.00 0.00 60.65 60.13 1xsb s ILE 77 Cb -0.18 -4.23 -0.07 0.00 -1.58 0.00 0.00 42.46 36.40 1xsb s ILE 77 CO -0.07 0.17 0.54 -0.63 -1.23 0.00 0.00 174.94 173.72 1xsb s ILE 78 N 0.86 4.81 0.10 2.92 1.09 0.67 -4.98 121.20 126.68 1xsb s ILE 78 Ca 0.53 1.07 0.02 0.00 -1.10 0.00 0.00 60.65 61.17 1xsb s ILE 78 Cb -0.23 -3.83 -0.04 0.00 -1.06 0.00 0.00 42.46 37.30 1xsb s ILE 78 CO 0.29 0.49 0.17 -1.61 -0.10 0.00 0.00 174.94 174.18 1xsb s GLU 79 N -1.30 3.17 0.00 2.79 2.02 -1.26 -4.45 118.70 119.67 1xsb s GLU 79 Ca 0.30 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.66 1xsb s GLU 79 Cb -0.18 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.19 1xsb s GLU 79 CO 0.18 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.43 1xsb n GLY 80 N 0.06 2.77 3.51 -1.39 0.00 -1.26 -5.05 105.19 103.83 1xsb n GLY 80 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.60 3.07 -0.26 1.61 2.19 -1.26 -5.08 117.98 115.66 1xsb s PHE 81 Ca 0.00 -0.26 -0.12 0.00 0.33 0.00 0.00 56.93 56.88 1xsb s PHE 81 Cb 0.00 -2.02 0.10 0.00 -1.31 0.00 0.00 43.02 39.79 1xsb s PHE 81 CO 0.00 -0.05 0.60 0.21 1.83 0.00 0.00 175.22 177.80 1xsb s LYS 82 N 0.54 0.56 -0.21 10.12 2.20 -1.26 -4.69 119.74 127.00 1xsb s LYS 82 Ca -0.01 1.22 -0.21 0.00 -0.36 0.00 0.00 55.97 56.60 1xsb s LYS 82 Cb -0.14 0.40 0.06 0.00 -1.51 0.00 0.00 37.83 36.63 1xsb s LYS 82 CO 0.02 -0.18 0.59 0.50 -0.36 0.00 0.00 175.35 175.92 1xsb s ARG 83 N 2.18 0.71 0.01 4.03 6.06 -1.26 -5.04 118.95 125.64 1xsb s ARG 83 Ca -0.07 0.77 0.07 0.00 -2.50 0.00 0.00 55.73 54.00 1xsb s ARG 83 Cb -0.09 0.35 -0.03 0.00 0.06 0.00 0.00 34.95 35.24 1xsb s ARG 83 CO -0.18 -0.10 -0.20 -1.83 -2.50 0.00 0.00 175.30 170.49 1xsb s GLU 84 N 0.19 2.14 -0.32 5.12 1.03 -1.24 -1.87 118.70 123.76 1xsb s GLU 84 Ca -0.01 -0.92 -0.14 0.00 0.03 0.00 0.00 54.97 53.93 1xsb s GLU 84 Cb -0.04 -2.17 -0.02 0.00 -0.80 0.00 0.00 34.13 31.10 1xsb s GLU 84 CO 0.01 0.56 0.33 -0.51 -1.33 0.00 0.00 175.26 174.32 1xsb s LEU 85 N -1.04 4.29 -0.16 1.83 1.43 0.20 -4.72 118.68 120.51 1xsb s LEU 85 Ca 0.12 -0.10 -0.02 0.00 -1.03 0.00 0.00 54.13 53.10 1xsb s LEU 85 Cb -0.10 -2.31 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 1xsb s LEU 85 CO 0.02 -0.25 -0.08 0.20 0.23 0.00 0.00 176.35 176.47 1xsb s ASN 86 N 1.72 4.33 -0.12 2.29 0.02 -1.26 -1.12 114.94 120.80 1xsb s ASN 86 Ca 0.11 -0.28 -0.30 0.00 -1.02 0.00 0.00 52.86 51.37 1xsb s ASN 86 Cb -0.16 -1.70 0.11 0.00 0.02 0.00 0.00 41.25 39.52 1xsb s ASN 86 CO 0.11 0.12 0.89 -0.72 0.02 0.00 0.00 177.10 177.53 1xsb s TYR 87 N 0.63 -0.46 -0.37 2.20 -0.85 -1.20 -4.90 117.35 112.40 1xsb s TYR 87 Ca -0.05 0.76 -0.11 0.00 -0.52 0.00 0.00 57.07 57.15 1xsb s TYR 87 Cb -0.15 0.44 0.02 0.00 0.38 0.00 0.00 41.96 42.66 1xsb s TYR 87 CO 0.03 -0.44 0.20 0.54 -1.52 0.00 0.00 175.55 174.36 1xsb s VAL 88 N -1.26 4.60 0.00 -3.49 0.11 -1.26 -0.86 120.40 118.23 1xsb s VAL 88 Ca -0.04 -0.81 0.00 0.00 -2.93 0.00 0.00 61.98 58.19 1xsb s VAL 88 Cb -0.00 -3.55 0.00 0.00 -1.53 0.00 0.00 36.38 31.30 1xsb s VAL 88 CO 0.03 -0.21 0.00 0.00 -3.33 0.00 0.00 175.10 171.59 1xsb n ALA 89 N 5.00 0.00 -0.13 1.54 0.00 -1.12 -4.63 120.51 121.17 1xsb n ALA 89 Ca -0.12 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.27 1xsb n ALA 89 Cb 0.46 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.95 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 0.33 0.00 0.00 0.11 -2.04 -3.42 114.38 109.36 1xsb h ARG 90 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1xsb h ARG 90 Cb 0.00 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.01 1xsb h ARG 90 CO 0.00 0.22 0.00 0.27 0.10 0.00 0.00 179.97 180.56 1xsb n ASN 91 N -4.99 0.00 -3.89 0.08 6.94 -1.26 -5.13 115.26 107.01 1xsb n ASN 91 Ca 0.03 -0.33 -0.17 0.00 -0.02 0.00 0.00 54.58 54.09 1xsb n ASN 91 Cb 0.15 0.00 -0.15 0.00 -2.36 0.00 0.00 39.78 37.41 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 0.44 0.27 -3.83 0.00 -1.26 -5.06 119.74 110.29 1xsb s LYS 92 Ca 0.00 -0.06 -0.29 0.00 0.00 0.00 0.00 55.97 55.62 1xsb s LYS 92 Cb 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 37.83 37.24 1xsb s LYS 92 CO 0.00 -0.03 1.03 -1.25 0.00 0.00 0.00 175.35 175.10 1xsb s PRO 93 N 0.53 4.71 -0.14 1.78 0.04 -1.26 -2.79 135.00 137.88 1xsb s PRO 93 Ca -0.06 1.66 -0.02 0.00 0.04 0.00 0.00 61.00 62.62 1xsb s PRO 93 Cb -0.09 -3.19 0.04 0.00 0.04 0.00 0.00 34.50 31.30 1xsb s PRO 93 CO -0.01 0.33 0.00 0.21 0.04 0.00 0.00 177.00 177.57 1xsb s LYS 94 N -1.39 0.81 -0.11 4.56 2.20 -0.04 -2.23 119.74 123.54 1xsb s LYS 94 Ca 0.44 -0.23 -0.28 0.00 -0.36 0.00 0.00 55.97 55.54 1xsb s LYS 94 Cb -0.29 -1.65 -0.02 0.00 -1.51 0.00 0.00 37.83 34.37 1xsb s LYS 94 CO 0.37 -0.46 0.92 0.99 -0.36 0.00 0.00 175.35 176.80 1xsb s THR 95 N 1.86 4.85 -0.18 3.43 2.01 -0.98 -3.26 115.64 123.36 1xsb s THR 95 Ca 0.02 1.85 0.01 0.00 0.31 0.00 0.00 61.69 63.88 1xsb s THR 95 Cb -0.15 -4.23 0.03 0.00 0.01 0.00 0.00 72.50 68.16 1xsb s THR 95 CO -0.07 0.05 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.07 1xsb s VAL 96 N 1.82 1.84 -0.22 3.82 1.01 -0.27 -0.82 120.40 127.58 1xsb s VAL 96 Ca 0.44 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 61.38 1xsb s VAL 96 Cb -0.18 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 1xsb s VAL 96 CO 0.17 0.41 0.31 -0.63 0.00 0.00 0.00 175.10 175.36 1xsb s ILE 97 N 1.36 5.26 -0.10 2.22 -1.09 -0.93 0.62 121.20 128.54 1xsb s ILE 97 Ca 0.03 0.51 0.01 0.00 -2.23 0.00 0.00 60.65 58.97 1xsb s ILE 97 Cb -0.14 -3.64 -0.02 0.00 -1.58 0.00 0.00 42.46 37.08 1xsb s ILE 97 CO -0.11 0.28 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.43 1xsb s TYR 98 N 1.26 2.76 -0.04 3.97 2.02 -0.78 -2.48 117.35 124.05 1xsb s TYR 98 Ca 0.15 -0.47 0.03 0.00 -0.37 0.00 0.00 57.07 56.41 1xsb s TYR 98 Cb -0.14 -1.76 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 1xsb s TYR 98 CO 0.07 -0.06 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.30 1xsb s TRP 99 N -0.07 2.81 0.20 2.71 0.51 -1.25 -4.05 118.94 119.80 1xsb s TRP 99 Ca -0.03 -0.08 -0.30 0.00 -2.12 0.00 0.00 56.10 53.58 1xsb s TRP 99 Cb -0.14 -1.64 -0.08 0.00 -0.81 0.00 0.00 33.47 30.80 1xsb s TRP 99 CO 0.04 0.29 1.11 -0.51 -0.51 0.00 0.00 176.95 177.37 1xsb s LEU 100 N -0.98 4.50 0.06 2.99 1.43 -1.25 -1.59 118.68 123.84 1xsb s LEU 100 Ca 0.13 2.14 0.02 0.00 -1.03 0.00 0.00 54.13 55.39 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 0.03 -0.22 -0.07 0.00 0.23 0.00 0.00 176.35 176.32 1xsb s ALA 101 N -0.39 0.69 -0.10 4.21 0.00 0.31 -0.24 121.76 126.24 1xsb s ALA 101 Ca 0.49 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1xsb s ALA 101 Cb -0.30 0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1xsb s ALA 101 CO 0.36 -0.13 -0.09 -2.00 0.00 0.00 0.00 175.76 173.90 1xsb s GLU 102 N -2.57 1.62 0.11 0.00 2.12 -0.66 0.48 118.70 119.78 1xsb s GLU 102 Ca -0.01 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 54.71 1xsb s GLU 102 Cb -0.03 -1.58 -0.06 0.00 0.26 0.00 0.00 34.13 32.72 1xsb s GLU 102 CO -0.02 -0.20 1.13 0.14 -0.54 0.00 0.00 175.26 175.77 1xsb s VAL 103 N 1.44 4.05 0.20 3.70 -7.23 -1.26 0.33 120.40 121.62 1xsb s VAL 103 Ca 0.00 1.59 -0.11 0.00 -1.81 0.00 0.00 61.98 61.65 1xsb s VAL 103 Cb -0.13 -4.01 0.12 0.00 0.56 0.00 0.00 36.38 32.91 1xsb s VAL 103 CO -0.06 0.19 1.83 0.11 -0.31 0.00 0.00 175.10 176.86 1xsb h LYS 104 N 6.06 0.73 -5.48 4.82 1.57 -0.92 -3.42 116.57 119.93 1xsb h LYS 104 Ca -0.43 -0.04 -0.63 0.00 -1.87 0.00 0.00 60.65 57.68 1xsb h LYS 104 Cb 1.21 -0.16 -0.09 0.00 0.08 0.00 0.00 32.23 33.27 1xsb h LYS 104 CO 0.77 0.48 -0.47 0.34 -0.57 0.00 0.00 179.45 180.00 1xsb s ASP 105 N -5.67 6.33 0.19 0.86 3.68 -1.26 -4.97 116.67 115.82 1xsb s ASP 105 Ca -0.13 0.38 -0.10 0.00 2.13 0.00 0.00 52.55 54.83 1xsb s ASP 105 Cb 0.15 -2.09 0.11 0.00 -1.45 0.00 0.00 42.92 39.63 1xsb s ASP 105 CO 0.76 0.29 1.74 0.22 0.13 0.00 0.00 175.17 178.31 1xsb h TYR 106 N 5.80 1.06 -0.43 -5.34 3.20 -2.01 -1.01 116.97 118.25 1xsb h TYR 106 Ca -0.48 -0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.30 1xsb h TYR 106 Cb 1.19 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.15 1xsb h TYR 106 CO 0.67 0.83 0.00 -0.25 -1.64 0.00 0.00 178.16 177.78 1xsb n ASP 107 N -4.36 4.25 -4.33 -2.11 10.43 -1.26 -4.98 116.55 114.19 1xsb n ASP 107 Ca 0.05 -2.60 -0.45 0.00 2.57 0.00 0.00 54.79 54.36 1xsb n ASP 107 Cb 0.19 -0.61 -0.02 0.00 1.84 0.00 0.00 41.12 42.53 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -1.07 0.00 0.00 177.20 176.68 1xsb n VAL 108 N 0.52 1.36 -1.92 2.53 3.14 -0.39 -4.79 118.33 118.78 1xsb n VAL 108 Ca 0.20 -0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 60.70 1xsb n VAL 108 Cb 0.88 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.69 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 -1.00 3.24 -0.26 1.45 -1.05 -1.26 -5.00 118.70 114.82 1xsb s GLU 109 Ca 0.61 2.08 0.02 0.00 -0.15 0.00 0.00 54.97 57.53 1xsb s GLU 109 Cb -0.79 -2.24 0.07 0.00 -0.44 0.00 0.00 34.13 30.73 1xsb s GLU 109 CO 0.59 -1.06 -0.06 0.42 0.95 0.00 0.00 175.26 176.09 1xsb s ILE 110 N -1.39 1.87 -0.34 1.83 -1.09 -1.25 -4.42 121.20 116.40 1xsb s ILE 110 Ca 0.71 -1.53 -0.11 0.00 -2.23 0.00 0.00 60.65 57.48 1xsb s ILE 110 Cb -0.36 -2.10 0.00 0.00 -1.58 0.00 0.00 42.46 38.42 1xsb s ILE 110 CO 0.43 -0.15 0.19 -0.13 -1.23 0.00 0.00 174.94 174.06 1xsb s ARG 111 N 1.22 3.18 -0.09 2.79 0.52 1.89 -4.87 118.95 123.59 1xsb s ARG 111 Ca -0.05 -0.84 -0.08 0.00 -0.52 0.00 0.00 55.73 54.24 1xsb s ARG 111 Cb -0.19 -3.69 -0.04 0.00 0.52 0.00 0.00 34.95 31.55 1xsb s ARG 111 CO -0.06 -0.53 0.19 -0.51 0.02 0.00 0.00 175.30 174.40 1xsb s LEU 112 N 1.62 4.40 0.64 2.53 1.43 -1.26 0.21 118.68 128.25 1xsb s LEU 112 Ca 0.04 0.53 -0.03 0.00 -1.03 0.00 0.00 54.13 53.63 1xsb s LEU 112 Cb -0.18 -2.23 0.05 0.00 0.03 0.00 0.00 46.19 43.87 1xsb s LEU 112 CO 0.07 0.38 0.91 -0.94 0.23 0.00 0.00 176.35 177.00 1xsb s SER 113 N -1.17 5.01 0.52 2.29 1.04 -1.26 -4.86 113.70 115.27 1xsb s SER 113 Ca 0.18 0.25 0.33 0.00 0.48 0.00 0.00 55.95 57.18 1xsb s SER 113 Cb -0.13 -0.99 1.47 0.00 0.10 0.00 0.00 66.02 66.47 1xsb s SER 113 CO 0.07 -1.41 1.83 0.45 0.98 0.00 0.00 173.24 175.17 1xsb h HIS 114 N -0.31 0.09 -0.29 5.02 -0.00 -1.99 0.63 115.15 118.31 1xsb h HIS 114 Ca -0.43 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 59.93 1xsb h HIS 114 Cb 1.31 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.68 1xsb h HIS 114 CO 0.34 0.01 0.11 0.93 -0.00 0.00 0.00 177.93 179.33 1xsb h GLU 115 N 0.06 0.40 -6.23 2.45 5.08 -1.91 -3.41 114.58 111.01 1xsb h GLU 115 Ca 0.52 -0.04 -0.69 0.00 -1.00 0.00 0.00 59.36 58.15 1xsb h GLU 115 Cb 1.98 -0.08 -0.26 0.00 0.50 0.00 0.00 28.75 30.89 1xsb h GLU 115 CO -0.05 0.34 -0.81 -1.01 -1.00 0.00 0.00 179.01 176.48 1xsb s HIS 116 N -5.20 2.59 -0.10 4.33 3.76 0.22 -3.76 115.29 117.13 1xsb s HIS 116 Ca -0.07 -0.36 0.13 0.00 -0.15 0.00 0.00 55.06 54.62 1xsb s HIS 116 Cb 0.17 -1.62 -0.19 0.00 1.11 0.00 0.00 32.58 32.04 1xsb s HIS 116 CO 0.73 0.03 0.14 0.00 -0.85 0.00 0.00 174.74 174.79 1xsb n GLN 117 N 2.57 1.30 -3.61 1.40 10.64 -1.22 -4.09 117.38 124.37 1xsb n GLN 117 Ca -0.17 -0.05 -0.11 0.00 -1.83 0.00 0.00 57.00 54.84 1xsb n GLN 117 Cb 0.52 -1.36 -0.04 0.00 -0.86 0.00 0.00 30.24 28.49 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 -2.57 -1.01 0.12 2.61 0.00 -1.26 -4.99 121.76 114.65 1xsb s ALA 118 Ca -0.07 0.02 0.03 0.00 0.00 0.00 0.00 51.96 51.95 1xsb s ALA 118 Cb 0.06 0.71 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 1xsb s ALA 118 CO 0.60 -0.65 -0.08 1.52 0.00 0.00 0.00 175.76 177.14 1xsb s TYR 119 N -3.77 1.07 0.02 0.00 1.13 -1.26 0.20 117.35 114.73 1xsb s TYR 119 Ca 0.03 -0.83 -0.00 0.00 -1.41 0.00 0.00 57.07 54.85 1xsb s TYR 119 Cb 0.01 -0.58 -0.02 0.00 -1.10 0.00 0.00 41.96 40.28 1xsb s TYR 119 CO -0.12 -0.03 -0.02 1.03 -2.51 0.00 0.00 175.55 173.89 1xsb s ARG 120 N -3.75 0.26 -0.37 -3.49 0.52 -0.63 -4.97 118.95 106.52 1xsb s ARG 120 Ca 0.14 -0.51 -0.08 0.00 -0.52 0.00 0.00 55.73 54.76 1xsb s ARG 120 Cb 0.04 0.09 0.05 0.00 0.52 0.00 0.00 34.95 35.65 1xsb s ARG 120 CO -0.02 -0.04 0.17 -1.58 0.02 0.00 0.00 175.30 173.85 1xsb s TRP 121 N -1.22 3.29 0.37 -0.53 0.52 -1.26 -3.02 118.94 117.10 1xsb s TRP 121 Ca -0.13 -1.42 0.04 0.00 0.02 0.00 0.00 56.10 54.60 1xsb s TRP 121 Cb -0.08 -2.53 -0.04 0.00 -1.15 0.00 0.00 33.47 29.66 1xsb s TRP 121 CO -0.01 -0.76 0.09 -0.51 0.02 0.00 0.00 176.95 175.78 1xsb s LEU 122 N 1.42 2.08 0.00 2.99 1.02 -1.25 -4.95 118.68 119.99 1xsb s LEU 122 Ca 0.01 -1.53 -0.09 0.00 0.02 0.00 0.00 54.13 52.53 1xsb s LEU 122 Cb -0.21 -0.26 0.15 0.00 0.02 0.00 0.00 46.19 45.89 1xsb s LEU 122 CO 0.03 -0.78 0.89 0.61 0.02 0.00 0.00 176.35 177.12 1xsb n GLY 123 N -0.82 -0.94 0.37 -3.19 0.00 -1.26 -2.28 105.19 97.06 1xsb n GLY 123 Ca -0.05 -1.77 -0.02 0.00 0.00 0.00 0.00 46.02 44.19 1xsb n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xsb h LEU 124 N 0.00 1.07 0.38 0.99 5.85 -1.93 0.37 115.31 122.04 1xsb h LEU 124 Ca -0.29 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1xsb h LEU 124 Cb 0.84 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 1xsb h LEU 124 CO 0.22 0.81 -0.23 1.05 -0.34 0.00 0.00 178.44 179.95 1xsb h GLU 125 N 1.24 -0.55 -0.17 1.25 4.11 -1.95 0.39 114.58 118.90 1xsb h GLU 125 Ca 0.33 0.04 -0.09 0.00 0.07 0.00 0.00 59.36 59.71 1xsb h GLU 125 Cb -0.08 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1xsb h GLU 125 CO -0.06 -0.37 -0.24 0.93 0.07 0.00 0.00 179.01 179.34 1xsb h GLU 126 N -0.57 0.46 -0.64 1.06 3.07 -1.88 0.50 114.58 116.58 1xsb h GLU 126 Ca -0.04 -0.27 0.15 0.00 -0.50 0.00 0.00 59.36 58.70 1xsb h GLU 126 Cb 0.47 0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 28.37 1xsb h GLU 126 CO 0.05 0.86 0.44 0.00 -1.40 0.00 0.00 179.01 178.95 1xsb h ALA 127 N 0.60 2.32 0.26 3.43 0.00 -0.16 0.53 119.26 126.23 1xsb h ALA 127 Ca 0.02 -0.01 -0.34 0.00 0.00 0.00 0.00 54.91 54.58 1xsb h ALA 127 Cb 0.80 -0.01 0.04 0.00 0.00 0.00 0.00 17.79 18.62 1xsb h ALA 127 CO 0.06 -0.50 -1.49 0.00 0.00 0.00 0.00 179.25 177.32 1xsb h GLN 129 N 0.15 0.44 -0.37 0.00 -0.00 0.30 -2.98 115.11 112.64 1xsb h GLN 129 Ca -0.26 -0.09 -0.09 0.00 -0.00 0.00 0.00 58.65 58.21 1xsb h GLN 129 Cb 2.18 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 29.58 1xsb h GLN 129 CO 0.28 0.49 -0.11 -0.07 -0.00 0.00 0.00 178.83 179.43 1xsb h LEU 130 N 0.29 0.74 -4.96 0.06 3.38 -0.22 -3.15 115.31 111.46 1xsb h LEU 130 Ca 0.09 -0.37 -0.58 0.00 0.09 0.00 0.00 57.88 57.11 1xsb h LEU 130 Cb 0.24 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 40.80 1xsb h LEU 130 CO -0.00 0.94 3.26 0.00 0.09 0.00 0.00 178.44 182.73 1xsb n ALA 131 N -2.44 7.05 -0.33 1.53 0.00 -0.78 -3.58 120.51 121.95 1xsb n ALA 131 Ca -0.02 -3.14 0.31 0.00 0.00 0.00 0.00 53.44 50.59 1xsb n ALA 131 Cb 0.36 -3.22 0.55 0.00 0.00 0.00 0.00 19.45 17.14 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 3.55 -0.04 -1.68 0.00 0.00 -1.19 -3.71 117.38 114.30 1xsb n GLN 132 Ca 0.70 1.17 -0.46 0.00 0.00 0.00 0.00 57.00 58.41 1xsb n GLN 132 Cb 0.29 -2.17 -0.04 0.00 0.00 0.00 0.00 30.24 28.32 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 -4.78 2.36 -0.13 2.61 3.01 -1.26 -4.81 117.46 114.46 1xsb n PHE 133 Ca 0.34 0.05 0.10 0.00 1.01 0.00 0.00 57.45 58.95 1xsb n PHE 133 Cb 1.22 -2.64 0.45 0.00 -0.01 0.00 0.00 39.48 38.50 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 8.05 0.52 -0.44 -1.08 3.64 -1.96 -0.76 116.57 124.54 1xsb h LYS 134 Ca -0.47 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 58.94 1xsb h LYS 134 Cb 1.26 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.90 1xsb h LYS 134 CO 0.93 0.34 0.12 0.93 -2.27 0.00 0.00 179.45 179.50 1xsb h GLU 135 N 0.54 0.25 -0.02 1.90 5.08 -1.89 0.68 114.58 121.12 1xsb h GLU 135 Ca 0.30 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.49 1xsb h GLU 135 Cb 0.47 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.67 1xsb h GLU 135 CO -0.10 0.17 -0.58 0.52 -1.00 0.00 0.00 179.01 178.02 1xsb h MET 136 N 0.26 0.43 -0.55 2.33 2.86 -1.57 0.73 114.93 119.42 1xsb h MET 136 Ca 0.21 -0.43 0.10 0.00 -2.06 0.00 0.00 59.70 57.52 1xsb h MET 136 Cb 0.24 0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1xsb h MET 136 CO -0.25 1.09 0.37 0.87 1.06 0.00 0.00 176.91 180.05 1xsb h LYS 137 N -0.07 0.30 0.04 1.72 1.57 -0.83 1.11 116.57 120.41 1xsb h LYS 137 Ca -0.07 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 1xsb h LYS 137 Cb 1.28 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.53 1xsb h LYS 137 CO 0.12 0.20 -0.39 0.00 -0.57 0.00 0.00 179.45 178.80 1xsb h ALA 138 N 1.72 -0.01 -0.21 3.86 0.00 0.58 -0.95 119.26 124.27 1xsb h ALA 138 Ca 0.26 -0.55 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1xsb h ALA 138 Cb 0.60 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1xsb h ALA 138 CO -0.06 0.18 0.05 0.00 0.00 0.00 0.00 179.25 179.41 1xsb h ALA 139 N 0.16 0.21 -0.12 0.00 0.00 0.22 2.90 119.26 122.63 1xsb h ALA 139 Ca -0.06 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1xsb h ALA 139 Cb 1.22 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1xsb h ALA 139 CO 0.07 -0.38 -0.01 -0.07 0.00 0.00 0.00 179.25 178.86 1xsb h LEU 140 N 0.13 0.15 0.04 0.00 3.38 0.11 0.23 115.31 119.36 1xsb h LEU 140 Ca 0.09 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xsb h LEU 140 Cb 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xsb h LEU 140 CO -0.12 0.20 -0.02 1.56 0.09 0.00 0.00 178.44 180.16 1xsb h GLN 141 N 0.17 -0.06 -0.64 1.13 1.08 0.94 -2.73 115.11 115.00 1xsb h GLN 141 Ca 0.04 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.20 1xsb h GLN 141 Cb 0.14 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.56 1xsb h GLN 141 CO 0.00 0.59 0.20 0.93 -0.95 0.00 0.00 178.83 179.60 1xsb h GLU 142 N -0.82 0.98 -0.21 1.46 5.08 0.53 0.17 114.58 121.76 1xsb h GLU 142 Ca -0.01 -0.19 0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1xsb h GLU 142 Cb 0.67 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1xsb h GLU 142 CO 0.01 0.84 0.11 0.78 -1.00 0.00 0.00 179.01 179.75 1xsb h GLY 143 N 1.04 0.28 1.01 -3.84 0.00 -0.64 0.35 103.07 101.28 1xsb h GLY 143 Ca 0.21 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 1xsb h GLY 143 CO -0.01 0.07 0.27 0.84 0.00 0.00 0.00 176.54 177.71 1xsb h HIS 144 N 0.24 1.00 -0.58 5.60 -0.00 -1.12 -0.00 115.15 120.29 1xsb h HIS 144 Ca 0.08 -0.07 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 1xsb h HIS 144 Cb 0.01 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.09 1xsb h HIS 144 CO -0.09 0.78 0.36 0.37 -0.00 0.00 0.00 177.93 179.35 1xsb h GLN 145 N 0.93 0.77 0.08 5.26 5.75 0.15 -1.22 115.11 126.83 1xsb h GLN 145 Ca 0.22 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1xsb h GLN 145 Cb 0.20 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.58 1xsb h GLN 145 CO -0.02 0.54 -0.04 0.35 -2.65 0.00 0.00 178.83 177.01 1xsb h PHE 146 N 0.78 -0.10 -0.93 3.99 3.04 -0.03 -3.13 116.94 120.57 1xsb h PHE 146 Ca 0.21 -0.00 0.10 0.00 3.98 0.00 0.00 57.97 62.26 1xsb h PHE 146 Cb -0.05 0.03 -0.07 0.00 2.56 0.00 0.00 35.95 38.42 1xsb h PHE 146 CO -0.03 0.42 0.59 -0.07 -2.02 0.00 0.00 178.31 177.20 1xsb h LEU 147 N -0.69 0.83 -0.82 0.59 3.38 -0.97 0.59 115.31 118.23 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 0.56 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1xsb h LEU 147 CO 0.02 0.48 0.00 0.00 0.09 0.00 0.00 178.44 179.02 1xsb n SER 149 N -2.13 0.56 0.00 0.00 7.64 0.21 -4.82 113.62 115.08 1xsb n SER 149 Ca 0.01 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1xsb n SER 149 Cb 0.15 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 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 -1.78 0.00 0.00 0.44 5.41 -0.58 -5.04 119.36 117.81 1xsb n ILE 150 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1xsb n ILE 150 Cb 0.38 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.31 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 -0.61 0.38 2.13 -1.26 -4.85 120.64 116.43 1xsb n GLU 151 Ca 0.00 0.12 -0.02 0.00 0.66 0.00 0.00 57.16 57.92 1xsb n GLU 151 Cb 0.00 -0.51 -0.01 0.00 0.27 0.00 0.00 31.44 31.19 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 -1.84 -0.03 -1.57 4.31 0.00 -1.26 -5.04 120.51 115.07 1xsb n ALA 152 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1xsb n ALA 152 Cb 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1xsb n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39