#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsb s PRO 2 N 0.00 4.43 0.00 1.61 0.04 -1.26 -4.94 135.00 134.89 1xsb s PRO 2 Ca 0.00 1.85 0.29 0.00 0.04 0.00 0.00 61.00 63.18 1xsb s PRO 2 Cb 0.00 -3.00 1.26 0.00 0.04 0.00 0.00 34.50 32.80 1xsb s PRO 2 CO 0.00 0.01 1.87 1.28 0.04 0.00 0.00 177.00 180.20 1xsb n LEU 3 N 0.78 0.65 0.00 -3.56 4.77 -1.26 -5.03 117.00 113.34 1xsb n LEU 3 Ca 0.01 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 1xsb n LEU 3 Cb 0.45 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 1xsb n LEU 3 CO 0.53 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 1xsb n GLY 4 N 1.22 -1.31 0.00 -0.72 0.00 -1.26 -3.73 105.19 99.39 1xsb n GLY 4 Ca 0.17 -1.51 0.05 0.00 0.00 0.00 0.00 46.02 44.73 1xsb n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xsb n SER 5 N 0.16 0.00 -4.71 1.61 3.41 -1.26 -4.86 113.62 107.97 1xsb n SER 5 Ca 0.00 -1.32 -0.64 0.00 -0.26 0.00 0.00 58.87 56.65 1xsb n SER 5 Cb 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 1xsb n SER 5 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1xsb n MET 6 N -0.68 0.31 0.00 4.33 0.00 -1.24 -4.43 117.12 115.40 1xsb n MET 6 Ca 0.07 0.11 0.00 0.00 0.00 0.00 0.00 57.70 57.88 1xsb n MET 6 Cb 0.03 -1.66 0.00 0.00 0.00 0.00 0.00 33.22 31.59 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 3.99 -0.11 -2.84 -5.12 0.00 -1.26 -4.94 120.51 110.22 1xsb n ALA 7 Ca 0.28 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.36 1xsb n ALA 7 Cb 0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 19.45 19.28 1xsb n ALA 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xsb s LEU 8 N -3.51 4.34 0.09 0.00 1.02 -0.23 -5.00 118.68 115.39 1xsb s LEU 8 Ca 0.00 0.41 -0.24 0.00 0.02 0.00 0.00 54.13 54.32 1xsb s LEU 8 Cb 0.00 -2.07 -0.07 0.00 0.02 0.00 0.00 46.19 44.07 1xsb s LEU 8 CO 0.00 0.35 0.73 -0.60 0.02 0.00 0.00 176.35 176.85 1xsb s ARG 9 N -0.68 4.48 0.07 1.70 3.52 -1.26 -2.27 118.95 124.51 1xsb s ARG 9 Ca 0.13 1.04 -0.08 0.00 -0.13 0.00 0.00 55.73 56.69 1xsb s ARG 9 Cb -0.12 -3.30 -0.01 0.00 -1.56 0.00 0.00 34.95 29.96 1xsb s ARG 9 CO 0.02 0.45 0.16 0.00 -0.81 0.00 0.00 175.30 175.12 1xsb s ALA 10 N -0.64 -0.16 -0.16 6.12 0.00 -0.31 -3.56 121.76 123.06 1xsb s ALA 10 Ca 0.36 -0.61 -0.07 0.00 0.00 0.00 0.00 51.96 51.64 1xsb s ALA 10 Cb -0.21 0.40 0.07 0.00 0.00 0.00 0.00 23.12 23.37 1xsb s ALA 10 CO 0.23 -0.45 0.34 0.00 0.00 0.00 0.00 175.76 175.89 1xsb s GLY 12 N 2.04 2.98 -0.17 0.00 0.00 -1.03 -3.15 107.32 107.99 1xsb s GLY 12 Ca -0.04 -0.43 0.00 0.00 0.00 0.00 0.00 44.72 44.26 1xsb s GLY 12 CO -0.11 -2.11 -0.11 1.08 0.00 0.00 0.00 173.10 171.86 1xsb s LEU 13 N -3.82 1.85 -0.51 0.66 1.43 -1.04 -3.93 118.68 113.32 1xsb s LEU 13 Ca 0.08 -0.64 -0.27 0.00 -1.03 0.00 0.00 54.13 52.27 1xsb s LEU 13 Cb 0.01 -1.13 0.03 0.00 0.03 0.00 0.00 46.19 45.13 1xsb s LEU 13 CO 0.05 -0.11 1.04 -0.63 0.23 0.00 0.00 176.35 176.92 1xsb s ILE 14 N 1.49 4.29 -0.11 -0.59 1.01 -0.71 -4.26 121.20 122.32 1xsb s ILE 14 Ca 0.02 0.81 -0.10 0.00 0.00 0.00 0.00 60.65 61.39 1xsb s ILE 14 Cb -0.14 -4.56 -0.05 0.00 0.01 0.00 0.00 42.46 37.72 1xsb s ILE 14 CO -0.09 -1.04 0.22 -0.63 0.00 0.00 0.00 174.94 173.40 1xsb s ILE 15 N 4.22 5.37 -0.05 2.92 1.01 -1.26 0.21 121.20 133.62 1xsb s ILE 15 Ca 0.40 0.38 -0.01 0.00 0.00 0.00 0.00 60.65 61.42 1xsb s ILE 15 Cb -0.09 -3.51 0.03 0.00 0.01 0.00 0.00 42.46 38.90 1xsb s ILE 15 CO 0.26 0.55 0.04 0.72 0.00 0.00 0.00 174.94 176.51 1xsb s PHE 16 N -0.64 0.25 -0.35 3.97 -0.71 0.73 -1.63 117.98 119.60 1xsb s PHE 16 Ca 0.16 0.11 -0.20 0.00 -1.04 0.00 0.00 56.93 55.96 1xsb s PHE 16 Cb -0.13 -0.54 0.00 0.00 -1.21 0.00 0.00 43.02 41.15 1xsb s PHE 16 CO 0.05 -0.21 0.62 0.50 -1.34 0.00 0.00 175.22 174.84 1xsb s ARG 17 N 1.89 3.67 0.09 1.99 3.52 0.45 -3.85 118.95 126.71 1xsb s ARG 17 Ca 0.02 0.03 -0.19 0.00 -0.13 0.00 0.00 55.73 55.46 1xsb s ARG 17 Cb -0.12 -3.81 -0.07 0.00 -1.56 0.00 0.00 34.95 29.39 1xsb s ARG 17 CO -0.03 -0.72 0.57 0.50 -0.81 0.00 0.00 175.30 174.81 1xsb s ARG 18 N 2.67 4.17 0.11 5.12 3.52 -1.26 -2.65 118.95 130.62 1xsb s ARG 18 Ca 0.24 0.71 -0.10 0.00 -0.13 0.00 0.00 55.73 56.45 1xsb s ARG 18 Cb -0.15 -3.18 -0.06 0.00 -1.56 0.00 0.00 34.95 30.00 1xsb s ARG 18 CO 0.15 0.61 0.43 0.00 -0.81 0.00 0.00 175.30 175.68 1xsb h LEU 20 N 3.46 -0.47 -8.17 0.00 3.38 -1.97 -3.42 115.31 108.10 1xsb h LEU 20 Ca -0.48 0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.50 1xsb h LEU 20 Cb 1.19 0.32 -0.17 0.00 0.09 0.00 0.00 40.66 42.09 1xsb h LEU 20 CO 0.67 -0.17 -0.69 0.27 0.09 0.00 0.00 178.44 178.62 1xsb s ILE 21 N -6.22 0.22 0.57 1.22 -5.25 -1.26 -5.14 121.20 105.34 1xsb s ILE 21 Ca -0.14 -1.54 -0.21 0.00 -0.99 0.00 0.00 60.65 57.78 1xsb s ILE 21 Cb 0.17 -1.14 -0.04 0.00 2.95 0.00 0.00 42.46 44.40 1xsb s ILE 21 CO 0.72 -0.83 1.33 -2.84 -1.79 0.00 0.00 174.94 171.54 1xsb s PRO 22 N -3.14 3.02 0.00 0.37 0.02 -1.26 -5.01 135.00 129.00 1xsb s PRO 22 Ca 0.00 2.17 0.00 0.00 0.02 0.00 0.00 61.00 63.19 1xsb s PRO 22 Cb 0.02 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 32.38 1xsb s PRO 22 CO -0.07 -1.26 0.00 1.63 -0.33 0.00 0.00 177.00 176.97 1xsb n LYS 23 N -1.23 0.00 0.10 5.54 4.76 -1.26 -4.65 118.16 121.42 1xsb n LYS 23 Ca 0.12 0.02 0.12 0.00 -2.87 0.00 0.00 58.31 55.69 1xsb n LYS 23 Cb 0.46 -0.18 0.23 0.00 -1.84 0.00 0.00 35.03 33.70 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1xsb h VAL 24 N 0.00 0.00 0.00 -0.18 2.07 -1.95 -3.47 116.25 112.73 1xsb h VAL 24 Ca 0.00 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 66.93 1xsb h VAL 24 Cb 0.00 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 1xsb h VAL 24 CO 0.00 0.00 0.00 -0.67 0.02 0.00 0.00 177.57 176.92 1xsb n ASP 25 N -2.32 -0.60 0.00 0.57 4.64 -1.26 -4.96 116.55 112.62 1xsb n ASP 25 Ca 0.04 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.45 1xsb n ASP 25 Cb 0.46 -0.10 0.00 0.00 -1.04 0.00 0.00 41.12 40.44 1xsb n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1xsb n ASN 26 N 0.00 0.00 -4.31 1.67 5.15 -1.26 -4.86 115.26 111.65 1xsb n ASN 26 Ca 0.00 0.13 -0.39 0.00 -0.60 0.00 0.00 54.58 53.72 1xsb n ASN 26 Cb 0.00 -0.28 -0.11 0.00 -0.53 0.00 0.00 39.78 38.85 1xsb n ASN 26 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 1xsb s ASN 27 N -2.44 5.55 0.10 1.20 2.47 -1.26 -4.92 114.94 115.64 1xsb s ASN 27 Ca 0.00 -1.21 0.19 0.00 0.42 0.00 0.00 52.86 52.26 1xsb s ASN 27 Cb 0.00 -1.96 -0.10 0.00 -1.45 0.00 0.00 41.25 37.74 1xsb s ASN 27 CO 0.00 -0.41 0.86 0.00 -3.72 0.00 0.00 177.10 173.83 1xsb n ALA 28 N 4.90 2.11 -2.49 1.71 0.00 -1.26 -4.81 120.51 120.68 1xsb n ALA 28 Ca -0.11 -0.46 -0.32 0.00 0.00 0.00 0.00 53.44 52.54 1xsb n ALA 28 Cb 0.45 -0.99 -0.13 0.00 0.00 0.00 0.00 19.45 18.78 1xsb n ALA 28 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xsb s ILE 29 N -3.06 3.09 0.23 0.00 1.01 -1.26 -3.30 121.20 117.90 1xsb s ILE 29 Ca -0.02 -0.80 0.11 0.00 0.00 0.00 0.00 60.65 59.94 1xsb s ILE 29 Cb 0.09 -2.24 -0.05 0.00 0.01 0.00 0.00 42.46 40.28 1xsb s ILE 29 CO 0.81 0.53 -0.20 -1.61 0.00 0.00 0.00 174.94 174.47 1xsb s GLU 30 N -0.91 1.52 0.16 2.79 0.41 -1.09 -4.35 118.70 117.23 1xsb s GLU 30 Ca 0.13 -1.62 0.10 0.00 -0.41 0.00 0.00 54.97 53.17 1xsb s GLU 30 Cb -0.11 -1.63 -0.04 0.00 -1.78 0.00 0.00 34.13 30.58 1xsb s GLU 30 CO 0.02 0.32 -0.22 -0.06 -0.49 0.00 0.00 175.26 174.82 1xsb s PHE 31 N -2.26 2.10 -0.10 1.61 0.08 -0.88 -0.41 117.98 118.11 1xsb s PHE 31 Ca 0.24 -0.40 -0.23 0.00 0.12 0.00 0.00 56.93 56.66 1xsb s PHE 31 Cb -0.05 -1.07 -0.03 0.00 -0.57 0.00 0.00 43.02 41.30 1xsb s PHE 31 CO 0.11 0.39 0.68 -1.17 -0.10 0.00 0.00 175.22 175.13 1xsb s LEU 32 N -2.48 4.27 -0.05 -0.37 2.96 -0.64 -3.75 118.68 118.62 1xsb s LEU 32 Ca 0.16 1.09 0.02 0.00 -0.22 0.00 0.00 54.13 55.18 1xsb s LEU 32 Cb -0.08 -3.02 0.01 0.00 0.50 0.00 0.00 46.19 43.60 1xsb s LEU 32 CO 0.08 -0.16 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.09 1xsb s LEU 33 N 1.10 1.65 -0.06 -0.68 1.43 -1.14 -4.46 118.68 116.52 1xsb s LEU 33 Ca 0.35 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.20 1xsb s LEU 33 Cb -0.17 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1xsb s LEU 33 CO 0.15 0.03 0.05 -0.76 0.23 0.00 0.00 176.35 176.06 1xsb s LEU 34 N 0.51 3.82 -0.20 1.79 1.43 -1.18 -1.49 118.68 123.36 1xsb s LEU 34 Ca -0.09 0.19 -0.13 0.00 -1.03 0.00 0.00 54.13 53.06 1xsb s LEU 34 Cb -0.13 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.02 1xsb s LEU 34 CO 0.02 0.34 0.29 -1.58 0.23 0.00 0.00 176.35 175.65 1xsb s GLN 35 N -1.24 4.17 0.53 1.70 0.74 1.24 -2.26 119.66 124.54 1xsb s GLN 35 Ca 0.17 0.02 -0.22 0.00 0.05 0.00 0.00 55.36 55.38 1xsb s GLN 35 Cb -0.12 -3.50 -0.05 0.00 1.10 0.00 0.00 33.01 30.44 1xsb s GLN 35 CO 0.07 0.09 1.38 0.00 -0.55 0.00 0.00 175.29 176.28 1xsb s ALA 36 N 0.93 2.89 -1.73 1.58 0.00 -1.06 -0.34 121.76 124.03 1xsb s ALA 36 Ca 0.15 1.37 0.31 0.00 0.00 0.00 0.00 51.96 53.79 1xsb s ALA 36 Cb -0.14 -3.58 1.68 0.00 0.00 0.00 0.00 23.12 21.08 1xsb s ALA 36 CO 0.05 -1.37 2.12 -1.13 0.00 0.00 0.00 175.76 175.43 1xsb n SER 37 N -0.90 0.06 -3.00 0.00 3.41 0.54 -4.42 113.62 109.31 1xsb n SER 37 Ca 0.09 -0.60 -0.13 0.00 -0.26 0.00 0.00 58.87 57.97 1xsb n SER 37 Cb 0.44 -0.13 -0.01 0.00 -0.26 0.00 0.00 64.21 64.25 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 -2.28 0.68 0.05 4.04 3.84 -1.26 -4.96 116.67 116.77 1xsb s ASP 38 Ca 0.38 -1.42 0.00 0.00 -0.00 0.00 0.00 52.55 51.51 1xsb s ASP 38 Cb 0.21 0.75 0.00 0.00 -1.38 0.00 0.00 42.92 42.51 1xsb s ASP 38 CO 0.42 -1.49 0.00 0.61 -0.00 0.00 0.00 175.17 174.71 1xsb n GLY 39 N -0.58 -1.40 0.00 2.12 0.00 -1.26 -3.25 105.19 100.83 1xsb n GLY 39 Ca -0.03 -1.29 0.04 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.12 -0.61 -5.35 -1.26 -4.78 119.36 104.23 1xsb n ILE 40 Ca 0.00 0.00 -0.14 0.00 -0.27 0.00 0.00 62.75 62.34 1xsb n ILE 40 Cb 0.00 -0.48 0.05 0.00 -1.74 0.00 0.00 39.64 37.47 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 -1.70 -1.73 4.28 8.25 -1.20 -4.97 115.22 117.41 1xsb n HIS 41 Ca 0.06 0.59 -0.34 0.00 -0.26 0.00 0.00 57.72 57.77 1xsb n HIS 41 Cb 0.03 -3.41 0.06 0.00 1.12 0.00 0.00 29.99 27.78 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 -3.17 2.40 -0.13 4.41 -3.43 -1.26 -4.49 115.29 109.63 1xsb s HIS 42 Ca 0.34 1.56 -0.04 0.00 -0.80 0.00 0.00 55.06 56.12 1xsb s HIS 42 Cb -0.15 -3.32 -0.04 0.00 -1.43 0.00 0.00 32.58 27.64 1xsb s HIS 42 CO 0.42 -2.06 0.03 -1.58 -2.00 0.00 0.00 174.74 169.55 1xsb s TRP 43 N -2.06 3.22 -0.16 0.38 0.52 -1.25 -2.56 118.94 117.03 1xsb s TRP 43 Ca 0.71 0.13 -0.22 0.00 0.02 0.00 0.00 56.10 56.75 1xsb s TRP 43 Cb -0.25 -1.92 0.05 0.00 -1.15 0.00 0.00 33.47 30.21 1xsb s TRP 43 CO 0.40 0.34 0.56 0.95 0.02 0.00 0.00 176.95 179.23 1xsb s THR 44 N -0.37 0.01 1.15 2.01 -4.23 -0.96 -4.35 115.64 108.90 1xsb s THR 44 Ca 0.08 -0.06 -0.15 0.00 -1.18 0.00 0.00 61.69 60.38 1xsb s THR 44 Cb -0.12 -0.82 0.22 0.00 1.34 0.00 0.00 72.50 73.12 1xsb s THR 44 CO 0.02 -0.03 0.66 -2.65 -0.54 0.00 0.00 174.62 172.07 1xsb n PRO 45 N 2.19 -2.08 -1.51 3.99 -0.02 -1.26 -3.11 135.00 133.20 1xsb n PRO 45 Ca -0.16 -0.58 -0.47 0.00 -2.02 0.00 0.00 63.50 60.27 1xsb n PRO 45 Cb 0.56 -2.01 -0.05 0.00 -0.02 0.00 0.00 33.50 31.98 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 -3.88 1.42 -4.60 0.52 -0.02 -1.26 -4.86 135.00 122.31 1xsb n PRO 46 Ca 0.03 0.38 -0.34 0.00 -2.02 0.00 0.00 63.50 61.54 1xsb n PRO 46 Cb 0.57 -2.79 -0.12 0.00 -0.02 0.00 0.00 33.50 31.14 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 6.37 3.00 0.31 -0.52 1.02 -1.26 -2.49 119.74 126.16 1xsb s LYS 47 Ca 1.06 -0.56 -0.02 0.00 0.02 0.00 0.00 55.97 56.47 1xsb s LYS 47 Cb -0.63 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.01 1xsb s LYS 47 CO 0.43 0.53 0.39 0.20 -0.92 0.00 0.00 175.35 175.98 1xsb s GLY 48 N -0.43 1.47 -0.09 -3.33 0.00 -1.19 -5.00 107.32 98.74 1xsb s GLY 48 Ca 0.06 -1.53 -0.02 0.00 0.00 0.00 0.00 44.72 43.23 1xsb s GLY 48 CO 0.02 -1.07 -0.02 0.30 0.00 0.00 0.00 173.10 172.33 1xsb s HIS 49 N -3.43 3.10 -0.03 1.90 3.76 -1.26 -2.35 115.29 116.99 1xsb s HIS 49 Ca 0.32 0.10 -0.21 0.00 -0.15 0.00 0.00 55.06 55.12 1xsb s HIS 49 Cb 0.01 -1.80 -0.05 0.00 1.11 0.00 0.00 32.58 31.85 1xsb s HIS 49 CO 0.18 0.37 0.60 0.54 -0.85 0.00 0.00 174.74 175.59 1xsb s VAL 50 N -0.70 4.96 0.41 -0.90 0.11 -1.23 -4.90 120.40 118.15 1xsb s VAL 50 Ca 0.11 1.25 -0.07 0.00 -2.93 0.00 0.00 61.98 60.34 1xsb s VAL 50 Cb -0.12 -3.94 0.10 0.00 -1.53 0.00 0.00 36.38 30.90 1xsb s VAL 50 CO 0.02 0.38 0.31 1.21 -3.33 0.00 0.00 175.10 173.69 1xsb n GLU 51 N 3.02 -2.16 0.04 1.54 4.07 -1.26 -4.91 120.64 120.98 1xsb n GLU 51 Ca -0.06 -0.51 -0.02 0.00 -0.06 0.00 0.00 57.16 56.52 1xsb n GLU 51 Cb 0.51 -0.54 -0.01 0.00 -0.06 0.00 0.00 31.44 31.34 1xsb n GLU 51 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1xsb h PRO 52 N 0.00 -0.13 -0.66 5.31 0.13 -1.99 -3.28 132.00 131.37 1xsb h PRO 52 Ca -0.12 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1xsb h PRO 52 Cb 0.40 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.56 1xsb h PRO 52 CO 0.08 -0.09 0.00 0.41 -0.23 0.00 0.00 178.00 178.17 1xsb n GLY 53 N 0.92 0.97 3.86 1.56 0.00 -1.26 -4.85 105.19 106.40 1xsb n GLY 53 Ca -0.02 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 3.88 0.73 1.61 2.12 -1.24 -5.06 118.70 119.28 1xsb s GLU 54 Ca 0.08 0.43 -0.11 0.00 0.36 0.00 0.00 54.97 55.73 1xsb s GLU 54 Cb 0.05 -2.55 0.03 0.00 0.26 0.00 0.00 34.13 31.92 1xsb s GLU 54 CO 0.03 0.24 1.08 0.34 -0.54 0.00 0.00 175.26 176.41 1xsb s ASP 55 N -2.36 5.10 -0.06 -1.70 3.68 -1.26 -4.72 116.67 115.35 1xsb s ASP 55 Ca 0.50 1.44 -0.25 0.00 2.13 0.00 0.00 52.55 56.36 1xsb s ASP 55 Cb -0.11 -2.26 -0.23 0.00 -1.45 0.00 0.00 42.92 38.87 1xsb s ASP 55 CO 0.20 -1.60 1.05 0.44 0.13 0.00 0.00 175.17 175.39 1xsb h ASP 56 N -0.83 0.15 -0.15 -0.34 3.32 -1.97 -2.95 116.42 113.64 1xsb h ASP 56 Ca -0.45 -0.74 -0.10 0.00 0.02 0.00 0.00 57.03 55.76 1xsb h ASP 56 Cb 1.24 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1xsb h ASP 56 CO 0.59 0.86 -0.29 0.25 -1.72 0.00 0.00 179.24 178.93 1xsb h LEU 57 N -0.56 0.52 -1.18 1.55 5.85 -1.97 -3.00 115.31 116.53 1xsb h LEU 57 Ca -0.02 -0.55 0.12 0.00 0.84 0.00 0.00 57.88 58.27 1xsb h LEU 57 Cb 0.88 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 1xsb h LEU 57 CO 0.03 0.97 0.59 -0.33 -0.34 0.00 0.00 178.44 179.36 1xsb h GLU 58 N 0.09 0.83 -0.86 1.25 3.07 -1.97 0.55 114.58 117.54 1xsb h GLU 58 Ca 0.01 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.84 1xsb h GLU 58 Cb 0.88 -0.19 -0.05 0.00 -0.84 0.00 0.00 28.75 28.55 1xsb h GLU 58 CO 0.06 0.55 0.56 1.15 -1.40 0.00 0.00 179.01 179.94 1xsb h THR 59 N 0.85 1.19 -0.45 1.13 2.02 -1.44 0.43 112.91 116.65 1xsb h THR 59 Ca 0.44 -0.39 -0.10 0.00 0.77 0.00 0.00 66.41 67.14 1xsb h THR 59 Cb 0.52 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 1xsb h THR 59 CO -0.21 0.21 -0.10 0.00 0.37 0.00 0.00 175.52 175.79 1xsb h ALA 60 N 1.33 0.61 0.18 6.16 0.00 -0.16 0.20 119.26 127.58 1xsb h ALA 60 Ca 0.33 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xsb h ALA 60 Cb -0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1xsb h ALA 60 CO -0.09 0.49 -0.13 -0.07 0.00 0.00 0.00 179.25 179.45 1xsb h LEU 61 N 0.69 -0.35 -0.59 0.00 3.38 0.12 1.07 115.31 119.63 1xsb h LEU 61 Ca 0.11 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1xsb h LEU 61 Cb 0.63 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1xsb h LEU 61 CO 0.04 -0.21 0.24 -0.09 0.09 0.00 0.00 178.44 178.51 1xsb h ARG 62 N -0.32 0.88 -0.31 1.13 2.43 -0.10 -2.23 114.38 115.86 1xsb h ARG 62 Ca -0.01 -0.16 -0.07 0.00 -0.81 0.00 0.00 59.98 58.93 1xsb h ARG 62 Cb 0.28 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1xsb h ARG 62 CO -0.01 0.75 -0.13 0.00 -1.51 0.00 0.00 179.97 179.08 1xsb h ALA 63 N 1.09 1.21 -0.46 2.80 0.00 -0.16 0.34 119.26 124.08 1xsb h ALA 63 Ca 0.20 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1xsb h ALA 63 Cb 0.19 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1xsb h ALA 63 CO -0.02 0.51 0.24 1.15 0.00 0.00 0.00 179.25 181.14 1xsb h THR 64 N 0.49 0.99 0.17 0.00 2.02 0.18 -0.36 112.91 116.40 1xsb h THR 64 Ca 0.09 -0.17 -0.30 0.00 0.77 0.00 0.00 66.41 66.80 1xsb h THR 64 Cb 0.51 0.46 0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1xsb h THR 64 CO 0.03 0.09 -1.36 -0.61 0.37 0.00 0.00 175.52 174.04 1xsb h GLN 65 N 0.48 0.36 -0.81 6.66 4.15 -0.58 -1.02 115.11 124.35 1xsb h GLN 65 Ca 0.19 -0.62 -0.04 0.00 0.77 0.00 0.00 58.65 58.96 1xsb h GLN 65 Cb 0.08 0.23 -0.04 0.00 0.21 0.00 0.00 27.48 27.96 1xsb h GLN 65 CO -0.12 1.29 0.34 0.93 -1.93 0.00 0.00 178.83 179.34 1xsb h GLU 66 N 0.10 1.20 -0.24 1.69 5.08 -0.71 3.00 114.58 124.70 1xsb h GLU 66 Ca -0.19 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 1xsb h GLU 66 Cb 2.04 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.09 1xsb h GLU 66 CO 0.22 0.96 0.00 0.39 -1.00 0.00 0.00 179.01 179.58 1xsb n GLU 67 N -4.28 2.28 0.00 2.33 1.02 -0.16 -4.18 120.64 117.65 1xsb n GLU 67 Ca 0.08 -2.06 0.00 0.00 -0.02 0.00 0.00 57.16 55.15 1xsb n GLU 67 Cb 0.17 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.33 0.43 -0.36 0.62 0.00 0.55 -4.25 120.51 118.83 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 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 0.13 0.95 3.68 0.00 0.00 1.00 0.49 105.19 111.44 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 -2.86 5.25 0.40 -0.61 1.01 -1.21 -4.75 121.20 118.43 1xsb s ILE 70 Ca 0.00 0.14 0.08 0.00 0.00 0.00 0.00 60.65 60.86 1xsb s ILE 70 Cb 0.00 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 1xsb s ILE 70 CO 0.00 0.40 0.19 -0.70 0.00 0.00 0.00 174.94 174.83 1xsb s GLU 71 N 0.69 2.27 0.34 2.79 2.12 -1.26 -0.69 118.70 124.95 1xsb s GLU 71 Ca 0.07 -1.77 0.12 0.00 0.36 0.00 0.00 54.97 53.75 1xsb s GLU 71 Cb -0.12 -2.05 0.96 0.00 0.26 0.00 0.00 34.13 33.18 1xsb s GLU 71 CO 0.01 -0.08 1.72 0.00 -0.54 0.00 0.00 175.26 176.37 1xsb h ALA 72 N 1.42 1.90 0.00 6.30 0.00 -1.87 2.07 119.26 129.08 1xsb h ALA 72 Ca -0.43 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xsb h ALA 72 Cb 1.25 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 1xsb h ALA 72 CO 0.68 -0.39 -0.00 0.78 0.00 0.00 0.00 179.25 180.31 1xsb h GLY 73 N 0.51 0.00 -0.10 0.00 0.00 -1.99 -0.91 103.07 100.58 1xsb h GLY 73 Ca 0.66 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.99 1xsb h GLY 73 CO -0.47 0.00 -0.81 -1.06 0.00 0.00 0.00 176.54 174.20 1xsb n GLN 74 N -3.22 1.03 -2.32 4.80 6.02 0.69 -5.00 117.38 119.37 1xsb n GLN 74 Ca -0.03 -0.10 -0.04 0.00 -0.01 0.00 0.00 57.00 56.82 1xsb n GLN 74 Cb 0.09 -1.36 -0.01 0.00 1.02 0.00 0.00 30.24 29.98 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 -1.28 0.00 -3.62 1.08 -0.00 -0.30 -1.94 117.00 110.94 1xsb n LEU 75 Ca 0.04 -0.40 -0.28 0.00 -0.00 0.00 0.00 56.01 55.37 1xsb n LEU 75 Cb 0.30 0.11 -0.16 0.00 -0.00 0.00 0.00 43.42 43.67 1xsb n LEU 75 CO 0.36 -0.06 -0.34 -0.89 -0.00 0.00 0.00 177.39 176.46 1xsb s THR 76 N -1.59 0.17 0.06 1.47 2.01 -0.41 -4.79 115.64 112.57 1xsb s THR 76 Ca 0.02 -0.64 -0.31 0.00 0.31 0.00 0.00 61.69 61.07 1xsb s THR 76 Cb 0.00 -0.97 -0.06 0.00 0.01 0.00 0.00 72.50 71.47 1xsb s THR 76 CO 0.01 -0.50 1.32 -0.63 -0.69 0.00 0.00 174.62 174.14 1xsb s ILE 77 N 2.00 3.67 0.08 1.82 -1.09 -1.26 -2.16 121.20 124.26 1xsb s ILE 77 Ca 0.05 1.16 -0.20 0.00 -2.23 0.00 0.00 60.65 59.43 1xsb s ILE 77 Cb -0.16 -3.75 -0.07 0.00 -1.58 0.00 0.00 42.46 36.90 1xsb s ILE 77 CO -0.22 0.07 0.60 -0.63 -1.23 0.00 0.00 174.94 173.52 1xsb s ILE 78 N 1.43 4.70 0.09 2.92 1.09 0.16 -4.97 121.20 126.63 1xsb s ILE 78 Ca 0.62 1.28 0.01 0.00 -1.10 0.00 0.00 60.65 61.47 1xsb s ILE 78 Cb -0.33 -3.93 -0.04 0.00 -1.06 0.00 0.00 42.46 37.10 1xsb s ILE 78 CO 0.29 0.54 0.22 -1.61 -0.10 0.00 0.00 174.94 174.29 1xsb s GLU 79 N -1.07 3.40 0.00 2.79 2.02 -1.26 -4.39 118.70 120.19 1xsb s GLU 79 Ca 0.30 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.78 1xsb s GLU 79 Cb -0.20 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.04 1xsb s GLU 79 CO 0.20 0.58 0.00 0.41 0.02 0.00 0.00 175.26 176.47 1xsb n GLY 80 N 0.03 3.25 3.37 -1.39 0.00 -1.26 -5.04 105.19 104.15 1xsb n GLY 80 Ca -0.06 0.00 -0.35 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 -2.82 2.97 -0.27 1.61 2.19 -1.26 -5.07 117.98 115.32 1xsb s PHE 81 Ca 0.00 -0.73 -0.11 0.00 0.33 0.00 0.00 56.93 56.42 1xsb s PHE 81 Cb 0.00 -2.06 0.11 0.00 -1.31 0.00 0.00 43.02 39.76 1xsb s PHE 81 CO 0.00 -0.39 0.62 0.21 1.83 0.00 0.00 175.22 177.48 1xsb s LYS 82 N 1.15 0.57 -0.17 10.12 2.20 -1.26 -4.60 119.74 127.74 1xsb s LYS 82 Ca 0.02 1.30 -0.13 0.00 -0.36 0.00 0.00 55.97 56.80 1xsb s LYS 82 Cb -0.15 0.55 0.05 0.00 -1.51 0.00 0.00 37.83 36.78 1xsb s LYS 82 CO -0.00 -0.19 0.44 0.50 -0.36 0.00 0.00 175.35 175.74 1xsb s ARG 83 N 2.42 0.47 -0.02 4.03 3.52 -1.25 -4.99 118.95 123.13 1xsb s ARG 83 Ca -0.07 0.73 0.01 0.00 -0.13 0.00 0.00 55.73 56.28 1xsb s ARG 83 Cb -0.10 0.12 -0.03 0.00 -1.56 0.00 0.00 34.95 33.37 1xsb s ARG 83 CO -0.18 -0.11 -0.02 -1.83 -0.81 0.00 0.00 175.30 172.34 1xsb s GLU 84 N 0.86 2.75 -0.29 5.12 1.03 -1.24 -2.03 118.70 124.90 1xsb s GLU 84 Ca -0.05 -0.60 -0.14 0.00 0.03 0.00 0.00 54.97 54.22 1xsb s GLU 84 Cb -0.06 -2.64 -0.04 0.00 -0.80 0.00 0.00 34.13 30.60 1xsb s GLU 84 CO -0.07 0.64 0.31 -0.51 -1.33 0.00 0.00 175.26 174.30 1xsb s LEU 85 N -1.32 4.12 -0.15 1.83 1.43 0.23 -4.72 118.68 120.11 1xsb s LEU 85 Ca 0.17 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.34 1xsb s LEU 85 Cb -0.11 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.80 1xsb s LEU 85 CO 0.07 -0.17 -0.15 0.20 0.23 0.00 0.00 176.35 176.53 1xsb s ASN 86 N 1.70 3.76 -0.03 2.29 0.02 -1.25 -0.75 114.94 120.68 1xsb s ASN 86 Ca 0.11 -0.43 -0.29 0.00 -1.02 0.00 0.00 52.86 51.24 1xsb s ASN 86 Cb -0.16 -1.58 0.10 0.00 0.02 0.00 0.00 41.25 39.64 1xsb s ASN 86 CO 0.11 0.11 0.88 -0.72 0.02 0.00 0.00 177.10 177.49 1xsb s TYR 87 N 0.66 -0.39 -0.37 2.20 -0.85 -1.16 -4.92 117.35 112.53 1xsb s TYR 87 Ca -0.08 0.40 -0.02 0.00 -0.52 0.00 0.00 57.07 56.85 1xsb s TYR 87 Cb -0.16 0.51 0.09 0.00 0.38 0.00 0.00 41.96 42.78 1xsb s TYR 87 CO 0.02 -0.52 0.13 0.54 -1.52 0.00 0.00 175.55 174.20 1xsb s VAL 88 N -2.51 3.15 0.00 -3.49 0.11 -1.26 -0.28 120.40 116.12 1xsb s VAL 88 Ca 0.02 -1.84 0.00 0.00 -2.93 0.00 0.00 61.98 57.23 1xsb s VAL 88 Cb -0.01 -3.05 0.00 0.00 -1.53 0.00 0.00 36.38 31.79 1xsb s VAL 88 CO -0.05 -0.49 0.00 0.00 -3.33 0.00 0.00 175.10 171.23 1xsb n ALA 89 N 4.59 0.00 -0.24 1.54 0.00 -1.25 -4.48 120.51 120.67 1xsb n ALA 89 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 1xsb n ALA 89 Cb 0.42 0.00 0.11 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 0.67 0.00 0.00 0.11 -2.05 -3.43 114.38 109.69 1xsb h ARG 90 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1xsb h ARG 90 Cb 0.00 -0.15 0.00 0.00 1.11 0.00 0.00 29.97 30.93 1xsb h ARG 90 CO 0.00 0.44 0.00 0.09 0.10 0.00 0.00 179.97 180.60 1xsb n ASN 91 N -4.79 0.00 -3.84 0.08 4.13 -1.26 -5.13 115.26 104.44 1xsb n ASN 91 Ca 0.09 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.13 1xsb n ASN 91 Cb 0.20 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.27 1xsb n ASN 91 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1xsb s LYS 92 N 0.00 0.82 0.03 3.52 2.47 -1.26 -5.06 119.74 120.26 1xsb s LYS 92 Ca 0.00 -0.03 -0.30 0.00 -1.56 0.00 0.00 55.97 54.08 1xsb s LYS 92 Cb 0.00 -0.99 -0.06 0.00 -1.46 0.00 0.00 37.83 35.32 1xsb s LYS 92 CO 0.00 -0.20 1.30 -1.25 0.16 0.00 0.00 175.35 175.35 1xsb s PRO 93 N 1.49 4.35 -0.19 4.03 0.04 -1.26 -3.74 135.00 139.73 1xsb s PRO 93 Ca -0.02 1.87 0.01 0.00 0.04 0.00 0.00 61.00 62.90 1xsb s PRO 93 Cb -0.13 -3.44 0.03 0.00 0.04 0.00 0.00 34.50 31.00 1xsb s PRO 93 CO -0.03 -0.42 -0.17 0.15 0.04 0.00 0.00 177.00 176.56 1xsb s LYS 94 N 1.69 2.71 -0.14 4.56 1.02 0.62 -1.07 119.74 129.14 1xsb s LYS 94 Ca 0.61 -0.85 -0.21 0.00 0.02 0.00 0.00 55.97 55.54 1xsb s LYS 94 Cb -0.31 -2.52 -0.03 0.00 -0.52 0.00 0.00 37.83 34.45 1xsb s LYS 94 CO 0.27 -0.27 0.63 0.99 -0.92 0.00 0.00 175.35 176.05 1xsb s THR 95 N 1.31 5.06 -0.18 2.17 2.01 -0.96 -2.97 115.64 122.08 1xsb s THR 95 Ca 0.03 1.24 0.01 0.00 0.31 0.00 0.00 61.69 63.27 1xsb s THR 95 Cb -0.14 -3.96 0.03 0.00 0.01 0.00 0.00 72.50 68.44 1xsb s THR 95 CO -0.11 0.19 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.16 1xsb s VAL 96 N 1.32 1.81 -0.11 3.82 1.01 0.07 -1.16 120.40 127.17 1xsb s VAL 96 Ca 0.31 -0.87 -0.16 0.00 0.00 0.00 0.00 61.98 61.27 1xsb s VAL 96 Cb -0.16 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.46 1xsb s VAL 96 CO 0.13 0.42 0.39 -0.63 0.00 0.00 0.00 175.10 175.40 1xsb s ILE 97 N 1.37 5.21 -0.07 2.22 -1.09 -1.04 0.77 121.20 128.58 1xsb s ILE 97 Ca 0.03 0.76 0.06 0.00 -2.23 0.00 0.00 60.65 59.27 1xsb s ILE 97 Cb -0.14 -3.72 -0.01 0.00 -1.58 0.00 0.00 42.46 37.02 1xsb s ILE 97 CO -0.11 0.41 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.45 1xsb s TYR 98 N 0.19 2.47 -0.02 3.97 2.02 -0.86 -2.47 117.35 122.66 1xsb s TYR 98 Ca 0.22 -0.76 0.06 0.00 -0.37 0.00 0.00 57.07 56.21 1xsb s TYR 98 Cb -0.15 -1.62 -0.03 0.00 -0.40 0.00 0.00 41.96 39.77 1xsb s TYR 98 CO 0.08 -0.24 -0.19 -1.58 -1.57 0.00 0.00 175.55 172.05 1xsb s TRP 99 N -0.08 2.56 0.25 2.71 0.51 -1.25 -3.84 118.94 119.78 1xsb s TRP 99 Ca -0.06 -0.26 -0.30 0.00 -2.12 0.00 0.00 56.10 53.36 1xsb s TRP 99 Cb -0.14 -1.55 -0.09 0.00 -0.81 0.00 0.00 33.47 30.88 1xsb s TRP 99 CO 0.05 0.14 0.96 -0.51 -0.51 0.00 0.00 176.95 177.07 1xsb s LEU 100 N -0.88 4.63 0.09 2.99 1.43 -1.26 -1.74 118.68 123.94 1xsb s LEU 100 Ca 0.12 1.98 0.02 0.00 -1.03 0.00 0.00 54.13 55.22 1xsb s LEU 100 Cb -0.10 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.46 1xsb s LEU 100 CO 0.01 0.12 -0.08 0.00 0.23 0.00 0.00 176.35 176.64 1xsb s ALA 101 N -1.19 0.92 -0.14 4.21 0.00 0.13 0.40 121.76 126.09 1xsb s ALA 101 Ca 0.42 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1xsb s ALA 101 Cb -0.26 0.10 0.04 0.00 0.00 0.00 0.00 23.12 22.99 1xsb s ALA 101 CO 0.33 -0.13 -0.05 -2.00 0.00 0.00 0.00 175.76 173.90 1xsb s GLU 102 N -3.04 1.37 0.19 0.00 2.12 -0.92 0.26 118.70 118.69 1xsb s GLU 102 Ca 0.05 -0.39 -0.30 0.00 0.36 0.00 0.00 54.97 54.70 1xsb s GLU 102 Cb -0.00 -1.81 -0.08 0.00 0.26 0.00 0.00 34.13 32.50 1xsb s GLU 102 CO -0.02 -0.38 1.00 0.14 -0.54 0.00 0.00 175.26 175.46 1xsb s VAL 103 N 1.69 4.10 0.22 3.70 -7.23 -1.26 -1.28 120.40 120.34 1xsb s VAL 103 Ca 0.02 1.92 -0.04 0.00 -1.81 0.00 0.00 61.98 62.07 1xsb s VAL 103 Cb -0.14 -4.22 0.06 0.00 0.56 0.00 0.00 36.38 32.63 1xsb s VAL 103 CO -0.08 0.38 1.67 0.11 -0.31 0.00 0.00 175.10 176.87 1xsb h LYS 104 N 4.77 0.80 -5.71 4.82 1.79 -1.74 -3.44 116.57 117.86 1xsb h LYS 104 Ca -0.44 -0.28 -0.66 0.00 -2.18 0.00 0.00 60.65 57.08 1xsb h LYS 104 Cb 1.21 -0.06 -0.14 0.00 -1.58 0.00 0.00 32.23 31.66 1xsb h LYS 104 CO 0.70 0.90 -0.58 0.34 -1.08 0.00 0.00 179.45 179.73 1xsb s ASP 105 N -6.71 5.55 0.14 0.86 3.68 -1.26 -4.99 116.67 113.95 1xsb s ASP 105 Ca -0.09 0.19 -0.12 0.00 2.13 0.00 0.00 52.55 54.65 1xsb s ASP 105 Cb 0.14 -1.73 0.01 0.00 -1.45 0.00 0.00 42.92 39.88 1xsb s ASP 105 CO 0.83 0.33 1.58 0.22 0.13 0.00 0.00 175.17 178.26 1xsb h TYR 106 N 5.55 0.94 -0.35 -5.34 3.20 -2.01 -1.42 116.97 117.54 1xsb h TYR 106 Ca -0.47 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.22 1xsb h TYR 106 Cb 1.19 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 39.22 1xsb h TYR 106 CO 0.64 0.90 0.00 -0.25 -1.64 0.00 0.00 178.16 177.81 1xsb n ASP 107 N -4.32 2.95 -3.76 -2.11 10.43 -1.26 -4.96 116.55 113.52 1xsb n ASP 107 Ca 0.00 -2.29 -0.35 0.00 2.57 0.00 0.00 54.79 54.72 1xsb n ASP 107 Cb 0.33 -0.46 0.00 0.00 1.84 0.00 0.00 41.12 42.83 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 0.47 0.25 -1.82 2.53 3.14 -0.54 -4.71 118.33 117.65 1xsb n VAL 108 Ca 0.14 -0.44 -0.41 0.00 -2.96 0.00 0.00 64.34 60.67 1xsb n VAL 108 Cb 0.58 0.00 -0.00 0.00 -1.06 0.00 0.00 33.84 33.36 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 -0.88 4.07 -0.28 1.45 -1.05 -1.26 -4.98 118.70 115.78 1xsb s GLU 109 Ca 0.51 2.54 0.02 0.00 -0.15 0.00 0.00 54.97 57.89 1xsb s GLU 109 Cb -0.49 -2.94 0.08 0.00 -0.44 0.00 0.00 34.13 30.34 1xsb s GLU 109 CO 0.57 -0.55 -0.01 0.42 0.95 0.00 0.00 175.26 176.64 1xsb s ILE 110 N -1.13 1.73 -0.32 1.83 -1.09 -1.24 -4.34 121.20 116.64 1xsb s ILE 110 Ca 0.53 -1.61 -0.10 0.00 -2.23 0.00 0.00 60.65 57.25 1xsb s ILE 110 Cb -0.46 -2.09 -0.01 0.00 -1.58 0.00 0.00 42.46 38.33 1xsb s ILE 110 CO 0.62 -0.30 0.17 -0.13 -1.23 0.00 0.00 174.94 174.06 1xsb s ARG 111 N 1.25 3.35 -0.14 2.79 3.00 1.84 -4.88 118.95 126.15 1xsb s ARG 111 Ca 0.00 -0.71 -0.08 0.00 0.00 0.00 0.00 55.73 54.94 1xsb s ARG 111 Cb -0.19 -3.60 -0.04 0.00 0.00 0.00 0.00 34.95 31.12 1xsb s ARG 111 CO -0.09 -0.42 0.13 -0.51 0.00 0.00 0.00 175.30 174.40 1xsb s LEU 112 N 1.63 4.27 0.70 2.53 1.43 -1.26 -0.33 118.68 127.65 1xsb s LEU 112 Ca 0.05 0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 53.45 1xsb s LEU 112 Cb -0.17 -2.06 0.06 0.00 0.03 0.00 0.00 46.19 44.06 1xsb s LEU 112 CO 0.07 0.34 1.01 -0.94 0.23 0.00 0.00 176.35 177.05 1xsb s SER 113 N -0.58 4.79 0.53 2.29 1.04 -1.25 -4.83 113.70 115.67 1xsb s SER 113 Ca 0.12 0.40 0.34 0.00 0.48 0.00 0.00 55.95 57.30 1xsb s SER 113 Cb -0.12 -1.04 1.50 0.00 0.10 0.00 0.00 66.02 66.46 1xsb s SER 113 CO 0.02 -1.61 1.80 0.45 0.98 0.00 0.00 173.24 174.89 1xsb h HIS 114 N -0.58 0.08 -0.40 5.02 -0.00 -1.99 0.70 115.15 117.99 1xsb h HIS 114 Ca -0.44 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 59.92 1xsb h HIS 114 Cb 1.31 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 28.68 1xsb h HIS 114 CO 0.28 0.00 0.21 0.93 -0.00 0.00 0.00 177.93 179.36 1xsb h GLU 115 N 0.05 0.54 -6.58 2.45 5.08 -1.96 -3.39 114.58 110.77 1xsb h GLU 115 Ca 0.56 -0.05 -0.70 0.00 -1.00 0.00 0.00 59.36 58.18 1xsb h GLU 115 Cb 2.16 -0.11 -0.27 0.00 0.50 0.00 0.00 28.75 31.03 1xsb h GLU 115 CO -0.05 0.41 -0.85 -1.01 -1.00 0.00 0.00 179.01 176.51 1xsb s HIS 116 N -5.37 2.43 -0.08 4.33 3.76 0.25 -0.34 115.29 120.26 1xsb s HIS 116 Ca -0.08 -0.35 0.05 0.00 -0.15 0.00 0.00 55.06 54.53 1xsb s HIS 116 Cb 0.17 -1.50 -0.08 0.00 1.11 0.00 0.00 32.58 32.28 1xsb s HIS 116 CO 0.74 0.08 0.15 0.00 -0.85 0.00 0.00 174.74 174.86 1xsb n GLN 117 N 2.15 1.70 -3.52 1.40 10.64 0.54 -3.97 117.38 126.32 1xsb n GLN 117 Ca -0.16 -0.04 -0.13 0.00 -1.83 0.00 0.00 57.00 54.84 1xsb n GLN 117 Cb 0.52 -1.02 -0.04 0.00 -0.86 0.00 0.00 30.24 28.84 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 -2.12 -1.44 0.07 2.61 0.00 -1.23 -4.97 121.76 114.69 1xsb s ALA 118 Ca -0.01 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.54 1xsb s ALA 118 Cb 0.04 0.55 -0.04 0.00 0.00 0.00 0.00 23.12 23.67 1xsb s ALA 118 CO 0.23 -0.60 -0.06 1.52 0.00 0.00 0.00 175.76 176.85 1xsb s TYR 119 N -2.91 0.74 0.03 0.00 1.13 -1.26 0.38 117.35 115.46 1xsb s TYR 119 Ca -0.03 -0.83 0.00 0.00 -1.41 0.00 0.00 57.07 54.80 1xsb s TYR 119 Cb -0.00 -0.45 -0.02 0.00 -1.10 0.00 0.00 41.96 40.38 1xsb s TYR 119 CO -0.05 -0.18 -0.04 1.03 -2.51 0.00 0.00 175.55 173.80 1xsb s ARG 120 N -3.23 0.37 -0.37 -3.49 0.52 -0.55 -4.96 118.95 107.24 1xsb s ARG 120 Ca 0.05 -0.69 -0.07 0.00 -0.52 0.00 0.00 55.73 54.49 1xsb s ARG 120 Cb 0.02 0.08 0.06 0.00 0.52 0.00 0.00 34.95 35.62 1xsb s ARG 120 CO -0.04 -0.05 0.16 -1.58 0.02 0.00 0.00 175.30 173.81 1xsb s TRP 121 N -1.72 3.30 0.37 -0.53 0.52 -1.26 -2.88 118.94 116.73 1xsb s TRP 121 Ca -0.13 -1.51 0.03 0.00 0.02 0.00 0.00 56.10 54.52 1xsb s TRP 121 Cb -0.08 -2.56 -0.04 0.00 -1.15 0.00 0.00 33.47 29.64 1xsb s TRP 121 CO -0.02 -0.78 0.09 -0.51 0.02 0.00 0.00 176.95 175.75 1xsb s LEU 122 N 1.40 2.08 0.00 2.99 1.02 -1.25 -4.93 118.68 119.99 1xsb s LEU 122 Ca 0.01 -1.52 -0.10 0.00 0.02 0.00 0.00 54.13 52.54 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 0.02 -0.76 0.89 0.61 0.02 0.00 0.00 176.35 177.13 1xsb n GLY 123 N -0.80 -1.03 0.37 -3.19 0.00 -1.26 -2.06 105.19 97.22 1xsb n GLY 123 Ca -0.04 -1.75 -0.02 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 1.14 0.33 0.99 5.85 -1.95 0.38 115.31 122.04 1xsb h LEU 124 Ca -0.29 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 1xsb h LEU 124 Cb 0.84 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 1xsb h LEU 124 CO 0.22 0.84 -0.25 1.05 -0.34 0.00 0.00 178.44 179.96 1xsb h GLU 125 N 1.33 -0.55 -0.09 1.25 4.11 -1.97 0.55 114.58 119.21 1xsb h GLU 125 Ca 0.36 0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.78 1xsb h GLU 125 Cb -0.12 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1xsb h GLU 125 CO -0.07 -0.37 -0.11 0.93 0.07 0.00 0.00 179.01 179.46 1xsb h GLU 126 N -0.57 0.24 -0.87 1.06 3.07 -1.88 0.31 114.58 115.94 1xsb h GLU 126 Ca -0.03 -0.13 0.20 0.00 -0.50 0.00 0.00 59.36 58.90 1xsb h GLU 126 Cb 0.50 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.36 1xsb h GLU 126 CO -0.00 0.68 0.58 0.00 -1.40 0.00 0.00 179.01 178.86 1xsb h ALA 127 N 0.56 2.25 -0.01 3.43 0.00 -0.16 0.68 119.26 126.02 1xsb h ALA 127 Ca 0.01 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 1xsb h ALA 127 Cb 0.64 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.42 1xsb h ALA 127 CO 0.03 -0.52 -0.97 0.00 0.00 0.00 0.00 179.25 177.79 1xsb h GLN 129 N 0.32 0.39 -0.32 0.00 -0.00 0.40 -3.09 115.11 112.82 1xsb h GLN 129 Ca -0.10 -0.11 -0.09 0.00 -0.00 0.00 0.00 58.65 58.35 1xsb h GLN 129 Cb 1.61 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 29.04 1xsb h GLN 129 CO 0.18 0.54 -0.17 -0.07 -0.00 0.00 0.00 178.83 179.31 1xsb h LEU 130 N 0.19 0.70 -4.45 0.06 3.38 -0.39 -3.08 115.31 111.72 1xsb h LEU 130 Ca 0.07 -0.41 -0.33 0.00 0.09 0.00 0.00 57.88 57.29 1xsb h LEU 130 Cb 0.34 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 1xsb h LEU 130 CO 0.01 0.96 1.12 0.00 0.09 0.00 0.00 178.44 180.61 1xsb n ALA 131 N -2.46 6.33 -0.59 1.53 0.00 -0.51 -3.97 120.51 120.84 1xsb n ALA 131 Ca -0.03 -2.24 0.45 0.00 0.00 0.00 0.00 53.44 51.62 1xsb n ALA 131 Cb 0.39 -2.67 0.70 0.00 0.00 0.00 0.00 19.45 17.87 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 2.96 -0.00 -1.68 0.00 0.00 -1.17 -3.78 117.38 113.71 1xsb n GLN 132 Ca 0.51 0.97 -0.44 0.00 0.00 0.00 0.00 57.00 58.04 1xsb n GLN 132 Cb 0.61 -2.18 -0.03 0.00 0.00 0.00 0.00 30.24 28.64 1xsb n GLN 132 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1xsb n PHE 133 N -3.78 2.53 -0.15 2.61 3.72 -1.26 -4.83 117.46 116.30 1xsb n PHE 133 Ca 0.38 -0.11 0.05 0.00 -0.05 0.00 0.00 57.45 57.73 1xsb n PHE 133 Cb 1.71 -2.71 0.36 0.00 -0.94 0.00 0.00 39.48 37.89 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 8.62 0.71 -0.61 -1.08 3.64 -1.96 -0.90 116.57 124.98 1xsb h LYS 134 Ca -0.47 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 58.91 1xsb h LYS 134 Cb 1.23 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.85 1xsb h LYS 134 CO 0.94 0.47 0.35 0.93 -2.27 0.00 0.00 179.45 179.87 1xsb h GLU 135 N 0.73 0.64 -0.01 1.90 5.08 -1.89 0.46 114.58 121.49 1xsb h GLU 135 Ca 0.27 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.46 1xsb h GLU 135 Cb 0.16 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1xsb h GLU 135 CO -0.08 0.42 -0.52 0.52 -1.00 0.00 0.00 179.01 178.35 1xsb h MET 136 N 0.66 0.38 -0.69 2.33 2.86 -1.63 0.93 114.93 119.76 1xsb h MET 136 Ca 0.26 -0.39 0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1xsb h MET 136 Cb 0.11 0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.84 1xsb h MET 136 CO -0.15 1.06 0.46 0.87 1.06 0.00 0.00 176.91 180.21 1xsb h LYS 137 N -0.15 0.53 -0.02 1.72 1.57 -0.93 1.82 116.57 121.10 1xsb h LYS 137 Ca -0.06 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1xsb h LYS 137 Cb 1.23 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.43 1xsb h LYS 137 CO 0.10 0.35 -0.19 0.00 -0.57 0.00 0.00 179.45 179.14 1xsb h ALA 138 N 1.65 0.05 -0.32 3.86 0.00 0.12 0.43 119.26 125.05 1xsb h ALA 138 Ca 0.32 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1xsb h ALA 138 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1xsb h ALA 138 CO -0.11 0.04 0.09 0.00 0.00 0.00 0.00 179.25 179.27 1xsb h ALA 139 N 0.34 0.36 -0.12 0.00 0.00 0.29 1.68 119.26 121.81 1xsb h ALA 139 Ca -0.02 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1xsb h ALA 139 Cb 0.88 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1xsb h ALA 139 CO 0.04 -0.31 -0.25 -0.07 0.00 0.00 0.00 179.25 178.66 1xsb h LEU 140 N 0.22 0.20 0.10 0.00 3.38 0.27 -0.31 115.31 119.17 1xsb h LEU 140 Ca 0.15 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xsb h LEU 140 Cb 0.14 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1xsb h LEU 140 CO -0.17 0.46 -0.05 1.56 0.09 0.00 0.00 178.44 180.33 1xsb h GLN 141 N 0.19 -0.13 -0.41 1.13 1.08 0.28 -2.73 115.11 114.51 1xsb h GLN 141 Ca 0.03 0.01 -0.09 0.00 -1.45 0.00 0.00 58.65 57.15 1xsb h GLN 141 Cb 0.54 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.99 1xsb h GLN 141 CO 0.04 0.38 -0.10 0.93 -0.95 0.00 0.00 178.83 179.13 1xsb h GLU 142 N -0.78 0.73 -0.43 1.46 4.39 0.24 -1.17 114.58 119.01 1xsb h GLU 142 Ca -0.01 -0.23 0.03 0.00 0.34 0.00 0.00 59.36 59.49 1xsb h GLU 142 Cb 0.57 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 1xsb h GLU 142 CO 0.02 0.80 0.23 0.78 -1.16 0.00 0.00 179.01 179.68 1xsb h GLY 143 N 0.97 0.60 1.04 -3.84 0.00 -1.12 0.45 103.07 101.17 1xsb h GLY 143 Ca 0.12 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 1xsb h GLY 143 CO 0.03 0.12 0.16 0.84 0.00 0.00 0.00 176.54 177.70 1xsb h HIS 144 N 0.46 1.09 -0.58 5.60 -0.00 -1.16 -1.42 115.15 119.13 1xsb h HIS 144 Ca 0.18 -0.13 0.01 0.00 -0.00 0.00 0.00 60.37 60.43 1xsb h HIS 144 Cb 0.07 -0.31 -0.03 0.00 -0.00 0.00 0.00 27.41 27.14 1xsb h HIS 144 CO -0.09 0.90 0.38 0.37 -0.00 0.00 0.00 177.93 179.49 1xsb h GLN 145 N 0.96 0.75 0.05 5.26 5.75 -0.33 -1.68 115.11 125.88 1xsb h GLN 145 Ca 0.20 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1xsb h GLN 145 Cb 0.36 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.74 1xsb h GLN 145 CO 0.00 0.50 -0.03 0.35 -2.65 0.00 0.00 178.83 177.00 1xsb h PHE 146 N 0.78 -0.07 -0.81 3.99 3.04 -0.75 -3.13 116.94 119.99 1xsb h PHE 146 Ca 0.21 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.27 1xsb h PHE 146 Cb -0.08 0.02 -0.06 0.00 2.56 0.00 0.00 35.95 38.39 1xsb h PHE 146 CO -0.04 0.48 0.53 -0.07 -2.02 0.00 0.00 178.31 177.20 1xsb h LEU 147 N -0.69 0.64 -0.94 0.59 3.38 -1.24 0.74 115.31 117.80 1xsb h LEU 147 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xsb h LEU 147 Cb 0.58 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1xsb h LEU 147 CO 0.01 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.90 1xsb n SER 149 N -2.28 0.44 0.00 0.00 7.64 0.26 -4.80 113.62 114.88 1xsb n SER 149 Ca 0.01 -0.19 0.00 0.00 1.01 0.00 0.00 58.87 59.70 1xsb n SER 149 Cb 0.18 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 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 -1.34 0.00 0.00 0.44 5.41 -0.65 -5.10 119.36 118.12 1xsb n ILE 150 Ca 0.08 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.83 1xsb n ILE 150 Cb 0.33 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.26 1xsb n ILE 150 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xsb n GLU 151 N 0.00 0.00 0.00 0.38 2.13 -1.26 -5.05 120.64 116.84 1xsb n GLU 151 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xsb n GLU 151 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xsb n ALA 152 N -2.14 0.00 -0.40 4.31 0.00 -1.26 -5.13 120.51 115.89 1xsb n ALA 152 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1xsb n ALA 152 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1xsb n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39