#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 4.05 0.43 1.61 0.04 -1.26 -4.93 135.00 134.94 1xsb s PRO 2 Ca 0.00 1.69 0.09 0.00 0.04 0.00 0.00 61.00 62.82 1xsb s PRO 2 Cb 0.00 -2.58 0.94 0.00 0.04 0.00 0.00 34.50 32.90 1xsb s PRO 2 CO 0.00 -0.28 2.05 -0.07 0.04 0.00 0.00 177.00 178.74 1xsb h LEU 3 N 2.48 0.32 -0.50 -3.56 3.38 -2.05 0.59 115.31 115.98 1xsb h LEU 3 Ca -0.49 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1xsb h LEU 3 Cb 1.23 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.90 1xsb h LEU 3 CO 0.62 0.27 0.00 0.61 0.09 0.00 0.00 178.44 180.03 1xsb n GLY 4 N -1.37 0.21 0.00 0.83 0.00 -1.26 -3.48 105.19 100.12 1xsb n GLY 4 Ca 0.01 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.23 0.00 -4.55 1.61 3.41 0.20 -4.66 113.62 109.40 1xsb n SER 5 Ca 0.00 -0.50 -0.37 0.00 -0.26 0.00 0.00 58.87 57.74 1xsb n SER 5 Cb 0.11 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 63.87 1xsb n SER 5 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xsb s MET 6 N -2.31 2.82 0.23 4.33 0.23 -1.23 -4.81 119.30 118.57 1xsb s MET 6 Ca 0.36 0.05 0.00 0.00 -1.03 0.00 0.00 55.69 55.07 1xsb s MET 6 Cb 0.20 -4.60 0.00 0.00 -1.53 0.00 0.00 34.83 28.90 1xsb s MET 6 CO 0.40 -2.71 0.00 0.00 -2.03 0.00 0.00 175.02 170.68 1xsb n ALA 7 N 11.95 -2.67 -2.81 3.16 0.00 -1.26 -4.78 120.51 124.10 1xsb n ALA 7 Ca 0.23 0.34 -0.36 0.00 0.00 0.00 0.00 53.44 53.65 1xsb n ALA 7 Cb 0.50 -0.94 -0.07 0.00 0.00 0.00 0.00 19.45 18.94 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 -5.16 4.12 0.07 0.00 1.02 -0.09 -5.00 118.68 113.64 1xsb s LEU 8 Ca 0.00 0.35 -0.20 0.00 0.02 0.00 0.00 54.13 54.30 1xsb s LEU 8 Cb 0.00 -1.99 -0.07 0.00 0.02 0.00 0.00 46.19 44.15 1xsb s LEU 8 CO 0.00 0.38 0.58 -0.60 0.02 0.00 0.00 176.35 176.73 1xsb s ARG 9 N -0.87 4.24 0.06 1.70 3.52 -1.26 -1.86 118.95 124.48 1xsb s ARG 9 Ca 0.14 0.76 -0.07 0.00 -0.13 0.00 0.00 55.73 56.43 1xsb s ARG 9 Cb -0.12 -3.26 -0.01 0.00 -1.56 0.00 0.00 34.95 30.01 1xsb s ARG 9 CO 0.03 0.60 0.13 0.00 -0.81 0.00 0.00 175.30 175.25 1xsb s ALA 10 N -0.97 -0.09 -0.15 6.12 0.00 0.03 -3.41 121.76 123.29 1xsb s ALA 10 Ca 0.30 -0.64 -0.06 0.00 0.00 0.00 0.00 51.96 51.55 1xsb s ALA 10 Cb -0.19 0.36 0.07 0.00 0.00 0.00 0.00 23.12 23.35 1xsb s ALA 10 CO 0.19 -0.41 0.32 0.00 0.00 0.00 0.00 175.76 175.86 1xsb s GLY 12 N 2.03 2.56 -0.18 0.00 0.00 -0.99 -2.99 107.32 107.76 1xsb s GLY 12 Ca -0.04 -1.35 0.01 0.00 0.00 0.00 0.00 44.72 43.34 1xsb s GLY 12 CO -0.10 -1.95 -0.15 1.08 0.00 0.00 0.00 173.10 171.98 1xsb s LEU 13 N -3.65 2.11 -0.72 0.66 1.43 -1.26 -3.91 118.68 113.34 1xsb s LEU 13 Ca 0.24 -0.70 -0.23 0.00 -1.03 0.00 0.00 54.13 52.41 1xsb s LEU 13 Cb 0.05 -1.33 0.07 0.00 0.03 0.00 0.00 46.19 45.00 1xsb s LEU 13 CO 0.12 -0.06 1.06 -0.63 0.23 0.00 0.00 176.35 177.07 1xsb s ILE 14 N 1.36 4.23 0.09 -0.59 1.01 -0.76 -4.46 121.20 122.08 1xsb s ILE 14 Ca 0.03 -0.35 -0.21 0.00 0.00 0.00 0.00 60.65 60.12 1xsb s ILE 14 Cb -0.14 -4.76 -0.07 0.00 0.01 0.00 0.00 42.46 37.50 1xsb s ILE 14 CO -0.11 -1.56 0.63 -0.63 0.00 0.00 0.00 174.94 173.27 1xsb s ILE 15 N 4.30 4.65 -0.07 2.92 1.01 -1.26 -0.12 121.20 132.63 1xsb s ILE 15 Ca 0.27 1.36 -0.01 0.00 0.00 0.00 0.00 60.65 62.27 1xsb s ILE 15 Cb -0.13 -3.97 0.03 0.00 0.01 0.00 0.00 42.46 38.39 1xsb s ILE 15 CO 0.08 0.53 -0.01 0.72 0.00 0.00 0.00 174.94 176.26 1xsb s PHE 16 N -1.02 0.73 -0.33 3.97 -0.71 1.43 -2.05 117.98 120.01 1xsb s PHE 16 Ca 0.31 -0.21 -0.28 0.00 -1.04 0.00 0.00 56.93 55.71 1xsb s PHE 16 Cb -0.20 -0.80 0.02 0.00 -1.21 0.00 0.00 43.02 40.82 1xsb s PHE 16 CO 0.21 -0.31 1.03 0.50 -1.34 0.00 0.00 175.22 175.30 1xsb s ARG 17 N 1.75 4.01 -0.07 1.99 3.52 0.33 -4.00 118.95 126.48 1xsb s ARG 17 Ca 0.02 0.93 -0.16 0.00 -0.13 0.00 0.00 55.73 56.39 1xsb s ARG 17 Cb -0.13 -3.75 -0.05 0.00 -1.56 0.00 0.00 34.95 29.46 1xsb s ARG 17 CO -0.04 -0.91 0.43 0.50 -0.81 0.00 0.00 175.30 174.46 1xsb s ARG 18 N 3.59 4.15 0.28 5.12 3.52 -1.26 -2.61 118.95 131.75 1xsb s ARG 18 Ca 0.43 0.39 -0.06 0.00 -0.13 0.00 0.00 55.73 56.37 1xsb s ARG 18 Cb -0.12 -3.34 -0.06 0.00 -1.56 0.00 0.00 34.95 29.87 1xsb s ARG 18 CO 0.16 0.41 0.56 0.00 -0.81 0.00 0.00 175.30 175.62 1xsb h LEU 20 N 1.81 -0.84 -7.88 0.00 3.38 -1.97 -3.42 115.31 106.38 1xsb h LEU 20 Ca -0.47 0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.55 1xsb h LEU 20 Cb 1.19 0.45 -0.19 0.00 0.09 0.00 0.00 40.66 42.20 1xsb h LEU 20 CO 0.67 -0.26 -0.56 0.27 0.09 0.00 0.00 178.44 178.64 1xsb s ILE 21 N -6.11 0.11 0.56 1.22 -5.25 -1.26 -5.15 121.20 105.33 1xsb s ILE 21 Ca -0.14 -0.95 -0.20 0.00 -0.99 0.00 0.00 60.65 58.37 1xsb s ILE 21 Cb 0.16 -0.61 -0.04 0.00 2.95 0.00 0.00 42.46 44.92 1xsb s ILE 21 CO 0.71 -0.52 1.23 -2.84 -1.79 0.00 0.00 174.94 171.73 1xsb s PRO 22 N -1.98 3.12 0.00 0.37 0.02 -1.26 -5.01 135.00 130.26 1xsb s PRO 22 Ca -0.10 1.91 0.00 0.00 0.02 0.00 0.00 61.00 62.82 1xsb s PRO 22 Cb -0.05 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.40 1xsb s PRO 22 CO -0.02 -1.11 0.00 1.63 -0.33 0.00 0.00 177.00 177.18 1xsb n LYS 23 N -1.30 0.00 0.11 5.54 4.01 -1.26 -4.69 118.16 120.57 1xsb n LYS 23 Ca 0.12 0.01 0.12 0.00 -0.51 0.00 0.00 58.31 58.05 1xsb n LYS 23 Cb 0.48 -0.15 0.19 0.00 -0.51 0.00 0.00 35.03 35.04 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1xsb h VAL 24 N 0.00 0.00 0.00 -0.18 2.07 -1.99 -3.47 116.25 112.68 1xsb h VAL 24 Ca 0.00 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1xsb h VAL 24 Cb 0.00 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 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 -2.48 -1.81 0.00 0.57 4.64 -1.26 -4.96 116.55 111.25 1xsb n ASP 25 Ca 0.03 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.44 1xsb n ASP 25 Cb 0.48 -0.30 0.00 0.00 -1.04 0.00 0.00 41.12 40.26 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 0.00 1.67 2.85 -1.26 -4.92 115.26 113.60 1xsb n ASN 26 Ca 0.00 0.12 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 1xsb n ASN 26 Cb 0.00 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 40.57 1xsb n ASN 26 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1xsb n ASN 27 N -2.24 0.00 0.00 1.20 5.03 -1.26 -4.85 115.26 113.14 1xsb n ASN 27 Ca 0.00 0.16 0.00 0.00 0.87 0.00 0.00 54.58 55.61 1xsb n ASN 27 Cb 0.00 -0.37 0.00 0.00 -1.02 0.00 0.00 39.78 38.39 1xsb n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xsb n ALA 28 N -1.98 0.00 -2.61 5.41 0.00 -1.26 -4.78 120.51 115.29 1xsb n ALA 28 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1xsb n ALA 28 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 0.00 3.32 0.18 0.00 1.01 -1.26 -3.72 121.20 120.73 1xsb s ILE 29 Ca 0.00 -0.61 0.09 0.00 0.00 0.00 0.00 60.65 60.13 1xsb s ILE 29 Cb 0.00 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1xsb s ILE 29 CO 0.00 0.58 -0.20 -1.61 0.00 0.00 0.00 174.94 173.71 1xsb s GLU 30 N -0.58 1.36 0.15 2.79 8.01 -1.07 -3.85 118.70 125.51 1xsb s GLU 30 Ca 0.08 -1.46 0.10 0.00 0.01 0.00 0.00 54.97 53.69 1xsb s GLU 30 Cb -0.12 -1.48 -0.04 0.00 -4.31 0.00 0.00 34.13 28.18 1xsb s GLU 30 CO 0.02 0.30 -0.17 -0.06 0.01 0.00 0.00 175.26 175.36 1xsb s PHE 31 N -2.01 2.51 -0.09 1.61 0.08 -0.60 0.12 117.98 119.60 1xsb s PHE 31 Ca 0.18 -0.28 -0.28 0.00 0.12 0.00 0.00 56.93 56.68 1xsb s PHE 31 Cb -0.06 -1.28 -0.02 0.00 -0.57 0.00 0.00 43.02 41.09 1xsb s PHE 31 CO 0.08 0.45 0.90 -1.17 -0.10 0.00 0.00 175.22 175.38 1xsb s LEU 32 N -2.45 4.27 -0.07 -0.37 2.96 -0.87 -3.76 118.68 118.40 1xsb s LEU 32 Ca 0.20 1.41 0.03 0.00 -0.22 0.00 0.00 54.13 55.55 1xsb s LEU 32 Cb -0.09 -3.40 0.01 0.00 0.50 0.00 0.00 46.19 43.21 1xsb s LEU 32 CO 0.11 -0.34 -0.15 -0.76 -1.32 0.00 0.00 176.35 173.90 1xsb s LEU 33 N 1.61 1.77 -0.10 -0.68 1.43 -1.05 -4.70 118.68 116.96 1xsb s LEU 33 Ca 0.45 -0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 53.16 1xsb s LEU 33 Cb -0.18 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 1xsb s LEU 33 CO 0.19 0.08 0.05 -0.76 0.23 0.00 0.00 176.35 176.13 1xsb s LEU 34 N 0.50 3.86 0.38 1.79 1.43 -1.07 -0.99 118.68 124.58 1xsb s LEU 34 Ca -0.13 0.25 -0.24 0.00 -1.03 0.00 0.00 54.13 52.97 1xsb s LEU 34 Cb -0.15 -1.91 -0.09 0.00 0.03 0.00 0.00 46.19 44.07 1xsb s LEU 34 CO 0.04 0.38 1.01 -1.58 0.23 0.00 0.00 176.35 176.44 1xsb s GLN 35 N -0.88 4.29 0.00 1.70 0.74 0.50 -2.58 119.66 123.42 1xsb s GLN 35 Ca 0.13 1.43 0.15 0.00 0.05 0.00 0.00 55.36 57.12 1xsb s GLN 35 Cb -0.12 -2.59 0.71 0.00 1.10 0.00 0.00 33.01 32.12 1xsb s GLN 35 CO 0.03 -0.01 1.43 0.00 -0.55 0.00 0.00 175.29 176.18 1xsb n ALA 36 N 0.06 1.79 0.00 1.58 0.00 -1.00 -3.63 120.51 119.30 1xsb n ALA 36 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1xsb n ALA 36 Cb 0.50 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.35 0.00 -0.85 0.00 3.41 -1.24 -4.55 113.62 109.04 1xsb n SER 37 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 1xsb n SER 37 Cb 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 1.35 0.60 0.00 4.04 -0.08 -1.26 -4.91 116.55 116.28 1xsb n ASP 38 Ca 0.00 -0.65 0.00 0.00 -1.51 0.00 0.00 54.79 52.63 1xsb n ASP 38 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1xsb n ASP 38 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1xsb n GLY 39 N 1.51 -1.32 0.00 0.27 0.00 -1.26 -3.36 105.19 101.02 1xsb n GLY 39 Ca 0.00 -1.33 0.03 0.00 0.00 0.00 0.00 46.02 44.72 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 -2.71 -0.61 -5.35 -1.26 -4.79 119.36 104.65 1xsb n ILE 40 Ca 0.00 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.40 1xsb n ILE 40 Cb 0.00 -0.45 0.04 0.00 -1.74 0.00 0.00 39.64 37.49 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 -0.69 -1.04 -3.39 4.28 8.25 -1.22 -5.03 115.22 116.38 1xsb n HIS 41 Ca 0.04 0.43 -0.24 0.00 -0.26 0.00 0.00 57.72 57.69 1xsb n HIS 41 Cb 0.02 -3.26 -0.01 0.00 1.12 0.00 0.00 29.99 27.86 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 -3.16 3.50 -0.12 4.41 -0.00 -1.26 -4.89 115.29 113.77 1xsb s HIS 42 Ca 0.05 0.35 -0.04 0.00 -0.00 0.00 0.00 55.06 55.42 1xsb s HIS 42 Cb -0.02 -1.89 -0.03 0.00 -0.00 0.00 0.00 32.58 30.63 1xsb s HIS 42 CO 0.33 0.13 0.02 -1.58 -0.00 0.00 0.00 174.74 173.64 1xsb s TRP 43 N -2.31 3.20 0.02 0.38 0.52 -1.25 -2.38 118.94 117.11 1xsb s TRP 43 Ca 0.40 0.12 -0.12 0.00 0.02 0.00 0.00 56.10 56.51 1xsb s TRP 43 Cb -0.10 -1.90 0.01 0.00 -1.15 0.00 0.00 33.47 30.34 1xsb s TRP 43 CO 0.36 0.34 0.26 0.95 0.02 0.00 0.00 176.95 178.87 1xsb s THR 44 N -0.39 0.08 0.85 2.01 -4.23 -1.07 -4.53 115.64 108.36 1xsb s THR 44 Ca 0.08 -0.65 -0.11 0.00 -1.18 0.00 0.00 61.69 59.82 1xsb s THR 44 Cb -0.12 -0.74 0.10 0.00 1.34 0.00 0.00 72.50 73.08 1xsb s THR 44 CO 0.02 -0.36 1.09 -2.16 -0.54 0.00 0.00 174.62 172.67 1xsb s PRO 45 N -1.93 1.64 0.00 3.99 0.04 -1.26 -2.60 135.00 134.87 1xsb s PRO 45 Ca -0.10 0.76 0.00 0.00 0.04 0.00 0.00 61.00 61.70 1xsb s PRO 45 Cb -0.03 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1xsb s PRO 45 CO 0.00 -1.96 0.45 -2.30 0.04 0.00 0.00 177.00 173.23 1xsb n PRO 46 N -3.68 0.00 -2.64 0.56 -0.02 -1.26 -4.82 135.00 123.13 1xsb n PRO 46 Ca 0.07 -0.11 -0.39 0.00 -2.02 0.00 0.00 63.50 61.05 1xsb n PRO 46 Cb 0.56 -1.33 -0.05 0.00 -0.02 0.00 0.00 33.50 32.65 1xsb n PRO 46 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1xsb s LYS 47 N 2.56 4.67 0.28 -0.52 2.20 -1.26 -4.09 119.74 123.58 1xsb s LYS 47 Ca 0.00 1.58 0.02 0.00 -0.36 0.00 0.00 55.97 57.20 1xsb s LYS 47 Cb 0.00 -3.09 -0.01 0.00 -1.51 0.00 0.00 37.83 33.22 1xsb s LYS 47 CO 0.00 0.31 0.33 0.41 -0.36 0.00 0.00 175.35 176.03 1xsb n GLY 48 N 1.12 2.65 3.78 5.54 0.00 -1.16 -4.97 105.19 112.15 1xsb n GLY 48 Ca -0.00 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.97 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 -3.21 3.46 -0.02 1.61 0.09 -1.26 -2.57 115.29 113.40 1xsb s HIS 49 Ca 0.28 0.38 -0.18 0.00 -0.00 0.00 0.00 55.06 55.53 1xsb s HIS 49 Cb 0.00 -2.02 -0.05 0.00 -0.00 0.00 0.00 32.58 30.50 1xsb s HIS 49 CO 0.20 0.49 0.51 0.54 -0.00 0.00 0.00 174.74 176.48 1xsb s VAL 50 N -0.36 4.98 0.90 -0.90 0.11 -1.22 -4.89 120.40 119.02 1xsb s VAL 50 Ca 0.11 1.06 -0.15 0.00 -2.93 0.00 0.00 61.98 60.06 1xsb s VAL 50 Cb -0.12 -3.84 0.22 0.00 -1.53 0.00 0.00 36.38 31.12 1xsb s VAL 50 CO 0.01 0.46 0.81 1.21 -3.33 0.00 0.00 175.10 174.27 1xsb n GLU 51 N 2.53 -2.55 0.01 1.54 4.07 -1.26 -4.87 120.64 120.10 1xsb n GLU 51 Ca -0.09 -1.30 -0.00 0.00 -0.06 0.00 0.00 57.16 55.71 1xsb n GLU 51 Cb 0.51 -1.20 -0.00 0.00 -0.06 0.00 0.00 31.44 30.69 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 -0.02 -0.36 5.31 0.13 -1.98 -3.27 132.00 131.82 1xsb h PRO 52 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1xsb h PRO 52 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1xsb h PRO 52 CO 0.20 -0.01 0.00 0.41 -0.23 0.00 0.00 178.00 178.37 1xsb n GLY 53 N 1.04 0.12 3.87 1.56 0.00 -1.26 -4.78 105.19 105.74 1xsb n GLY 53 Ca -0.00 0.00 -0.32 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 -1.54 3.81 0.79 1.61 2.12 -1.23 -5.07 118.70 119.19 1xsb s GLU 54 Ca 0.00 0.29 -0.11 0.00 0.36 0.00 0.00 54.97 55.51 1xsb s GLU 54 Cb 0.00 -2.64 0.06 0.00 0.26 0.00 0.00 34.13 31.82 1xsb s GLU 54 CO 0.00 0.31 1.08 0.34 -0.54 0.00 0.00 175.26 176.45 1xsb s ASP 55 N -2.37 4.49 -0.05 -1.70 3.68 -1.26 -4.76 116.67 114.70 1xsb s ASP 55 Ca 0.48 1.57 -0.05 0.00 2.13 0.00 0.00 52.55 56.68 1xsb s ASP 55 Cb -0.11 -2.32 -0.03 0.00 -1.45 0.00 0.00 42.92 39.01 1xsb s ASP 55 CO 0.21 -2.00 0.25 0.44 0.13 0.00 0.00 175.17 174.20 1xsb h ASP 56 N -1.11 -0.15 -0.65 -0.34 3.32 -1.97 -2.99 116.42 112.53 1xsb h ASP 56 Ca -0.46 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.56 1xsb h ASP 56 Cb 1.25 0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.81 1xsb h ASP 56 CO 0.55 0.19 0.25 0.25 -1.72 0.00 0.00 179.24 178.76 1xsb h LEU 57 N -0.77 0.91 -0.88 1.55 5.85 -1.95 -2.51 115.31 117.51 1xsb h LEU 57 Ca -0.02 -0.18 0.15 0.00 0.84 0.00 0.00 57.88 58.68 1xsb h LEU 57 Cb 0.14 -0.24 -0.10 0.00 0.37 0.00 0.00 40.66 40.84 1xsb h LEU 57 CO 0.03 0.84 0.47 -0.08 -0.34 0.00 0.00 178.44 179.36 1xsb h GLU 58 N 0.93 0.64 -0.85 1.25 4.81 -1.97 0.63 114.58 120.02 1xsb h GLU 58 Ca 0.22 -0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.45 1xsb h GLU 58 Cb 0.22 -0.14 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 1xsb h GLU 58 CO -0.02 0.42 0.54 1.15 -0.73 0.00 0.00 179.01 180.38 1xsb h THR 59 N 0.66 1.11 -0.23 0.32 2.02 -1.29 0.59 112.91 116.10 1xsb h THR 59 Ca 0.48 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 67.26 1xsb h THR 59 Cb 0.68 -0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1xsb h THR 59 CO -0.36 0.19 -0.00 0.00 0.37 0.00 0.00 175.52 175.72 1xsb h ALA 60 N 1.37 0.31 -0.06 6.16 0.00 -0.00 1.05 119.26 128.08 1xsb h ALA 60 Ca 0.35 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1xsb h ALA 60 Cb 0.04 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1xsb h ALA 60 CO -0.13 0.04 -0.16 -0.07 0.00 0.00 0.00 179.25 178.92 1xsb h LEU 61 N 0.18 -0.49 -0.41 0.00 3.38 0.12 2.22 115.31 120.30 1xsb h LEU 61 Ca 0.07 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.03 1xsb h LEU 61 Cb 0.41 0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1xsb h LEU 61 CO 0.01 -0.22 -0.07 0.03 0.09 0.00 0.00 178.44 178.28 1xsb h ARG 62 N -0.24 0.77 -0.24 1.13 3.08 0.25 -2.14 114.38 117.00 1xsb h ARG 62 Ca 0.07 -0.28 -0.07 0.00 0.07 0.00 0.00 59.98 59.77 1xsb h ARG 62 Cb 0.34 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1xsb h ARG 62 CO -0.20 0.89 -0.17 0.00 -1.07 0.00 0.00 179.97 179.41 1xsb h ALA 63 N 0.86 1.26 -0.41 0.04 0.00 0.18 0.32 119.26 121.50 1xsb h ALA 63 Ca 0.11 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xsb h ALA 63 Cb 0.58 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1xsb h ALA 63 CO 0.03 0.49 0.25 1.15 0.00 0.00 0.00 179.25 181.18 1xsb h THR 64 N 0.38 1.12 0.23 0.00 2.02 0.41 -0.48 112.91 116.59 1xsb h THR 64 Ca 0.07 -0.27 -0.32 0.00 0.77 0.00 0.00 66.41 66.65 1xsb h THR 64 Cb 0.53 0.57 0.03 0.00 -1.74 0.00 0.00 68.15 67.54 1xsb h THR 64 CO 0.03 0.12 -1.43 -0.61 0.37 0.00 0.00 175.52 174.01 1xsb h GLN 65 N 0.54 0.50 -0.74 6.66 4.15 -0.41 -0.27 115.11 125.54 1xsb h GLN 65 Ca 0.15 -0.84 -0.03 0.00 0.77 0.00 0.00 58.65 58.71 1xsb h GLN 65 Cb -0.02 0.31 -0.03 0.00 0.21 0.00 0.00 27.48 27.95 1xsb h GLN 65 CO -0.03 1.40 0.36 0.93 -1.93 0.00 0.00 178.83 179.56 1xsb h GLU 66 N 0.14 1.05 -0.28 1.69 5.08 -0.27 2.67 114.58 124.65 1xsb h GLU 66 Ca -0.23 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1xsb h GLU 66 Cb 2.12 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 31.18 1xsb h GLU 66 CO 0.26 0.81 0.00 0.39 -1.00 0.00 0.00 179.01 179.47 1xsb n GLU 67 N -4.33 2.23 0.00 2.33 1.02 -0.20 -4.21 120.64 117.49 1xsb n GLU 67 Ca 0.07 -2.05 0.00 0.00 -0.02 0.00 0.00 57.16 55.16 1xsb n GLU 67 Cb 0.13 -1.43 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 1.24 0.50 -0.35 0.62 0.00 0.62 -4.25 120.51 118.89 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 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 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 0.77 3.53 0.00 0.00 0.89 0.44 105.19 110.93 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 -2.75 4.45 0.41 -0.61 1.01 -1.21 -4.77 121.20 117.73 1xsb s ILE 70 Ca 0.00 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.58 1xsb s ILE 70 Cb 0.00 -3.03 -0.08 0.00 0.01 0.00 0.00 42.46 39.36 1xsb s ILE 70 CO 0.00 0.40 0.02 -0.70 0.00 0.00 0.00 174.94 174.66 1xsb s GLU 71 N 0.97 1.97 0.41 2.79 2.12 -1.26 -0.98 118.70 124.72 1xsb s GLU 71 Ca 0.03 -2.11 0.24 0.00 0.36 0.00 0.00 54.97 53.50 1xsb s GLU 71 Cb -0.14 -1.65 1.27 0.00 0.26 0.00 0.00 34.13 33.88 1xsb s GLU 71 CO 0.03 -0.06 1.67 0.00 -0.54 0.00 0.00 175.26 176.36 1xsb h ALA 72 N 1.75 2.44 0.00 6.30 0.00 -1.83 3.71 119.26 131.63 1xsb h ALA 72 Ca -0.44 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1xsb h ALA 72 Cb 1.24 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.18 1xsb h ALA 72 CO 0.81 -1.01 -0.05 0.78 0.00 0.00 0.00 179.25 179.78 1xsb h GLY 73 N 0.21 0.00 0.00 0.00 0.00 -1.98 -2.05 103.07 99.26 1xsb h GLY 73 Ca 0.74 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.07 1xsb h GLY 73 CO -0.42 0.00 -0.88 -1.06 0.00 0.00 0.00 176.54 174.18 1xsb n GLN 74 N -3.67 1.05 -4.48 4.80 1.13 1.21 -4.98 117.38 112.43 1xsb n GLN 74 Ca -0.02 -0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.78 1xsb n GLN 74 Cb 0.15 -1.35 -0.08 0.00 0.11 0.00 0.00 30.24 29.07 1xsb n GLN 74 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 1xsb s LEU 75 N -2.89 1.94 -0.23 1.08 0.05 0.08 -0.21 118.68 118.50 1xsb s LEU 75 Ca 0.06 -1.74 0.01 0.00 0.05 0.00 0.00 54.13 52.51 1xsb s LEU 75 Cb 0.14 0.06 0.05 0.00 -2.05 0.00 0.00 46.19 44.39 1xsb s LEU 75 CO 0.74 -1.01 -0.09 -0.89 -0.55 0.00 0.00 176.35 174.55 1xsb s THR 76 N -3.22 1.75 0.01 5.48 2.01 0.95 -4.69 115.64 117.93 1xsb s THR 76 Ca 0.25 -1.25 -0.30 0.00 0.31 0.00 0.00 61.69 60.70 1xsb s THR 76 Cb 0.02 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.59 1xsb s THR 76 CO 0.17 0.03 1.10 -0.63 -0.69 0.00 0.00 174.62 174.60 1xsb s ILE 77 N 1.31 4.46 0.10 1.82 -1.09 -1.26 -1.78 121.20 124.76 1xsb s ILE 77 Ca -0.05 1.76 -0.23 0.00 -2.23 0.00 0.00 60.65 59.91 1xsb s ILE 77 Cb -0.18 -4.13 -0.07 0.00 -1.58 0.00 0.00 42.46 36.50 1xsb s ILE 77 CO -0.07 0.11 0.70 -0.63 -1.23 0.00 0.00 174.94 173.81 1xsb s ILE 78 N 1.28 4.59 0.09 2.92 1.09 0.12 -4.98 121.20 126.32 1xsb s ILE 78 Ca 0.55 1.50 0.01 0.00 -1.10 0.00 0.00 60.65 61.61 1xsb s ILE 78 Cb -0.24 -4.04 -0.04 0.00 -1.06 0.00 0.00 42.46 37.07 1xsb s ILE 78 CO 0.27 0.50 0.23 -1.61 -0.10 0.00 0.00 174.94 174.23 1xsb s GLU 79 N -0.87 3.42 0.00 2.79 2.02 -1.26 -4.38 118.70 120.41 1xsb s GLU 79 Ca 0.34 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.82 1xsb s GLU 79 Cb -0.21 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.02 1xsb s GLU 79 CO 0.23 0.57 0.00 0.41 0.02 0.00 0.00 175.26 176.49 1xsb n GLY 80 N -0.02 2.99 3.43 -1.39 0.00 -1.26 -5.04 105.19 103.90 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 -2.71 2.99 -0.22 1.61 2.19 -1.26 -5.08 117.98 115.50 1xsb s PHE 81 Ca 0.00 -0.52 -0.11 0.00 0.33 0.00 0.00 56.93 56.63 1xsb s PHE 81 Cb 0.00 -2.02 0.08 0.00 -1.31 0.00 0.00 43.02 39.77 1xsb s PHE 81 CO 0.00 -0.23 0.53 0.21 1.83 0.00 0.00 175.22 177.56 1xsb s LYS 82 N 0.80 0.51 -0.23 10.12 2.20 -1.26 -4.64 119.74 127.23 1xsb s LYS 82 Ca -0.01 1.04 -0.20 0.00 -0.36 0.00 0.00 55.97 56.44 1xsb s LYS 82 Cb -0.15 0.17 0.06 0.00 -1.51 0.00 0.00 37.83 36.41 1xsb s LYS 82 CO 0.02 -0.17 0.61 0.50 -0.36 0.00 0.00 175.35 175.95 1xsb s ARG 83 N 1.80 0.69 0.03 4.03 3.52 -1.25 -5.04 118.95 122.74 1xsb s ARG 83 Ca -0.08 0.91 0.07 0.00 -0.13 0.00 0.00 55.73 56.49 1xsb s ARG 83 Cb -0.08 0.29 -0.03 0.00 -1.56 0.00 0.00 34.95 33.57 1xsb s ARG 83 CO -0.16 -0.10 -0.19 -1.83 -0.81 0.00 0.00 175.30 172.21 1xsb s GLU 84 N 0.59 2.07 -0.29 5.12 1.03 -1.24 -1.68 118.70 124.30 1xsb s GLU 84 Ca -0.02 -0.97 -0.16 0.00 0.03 0.00 0.00 54.97 53.85 1xsb s GLU 84 Cb -0.05 -2.17 -0.03 0.00 -0.80 0.00 0.00 34.13 31.08 1xsb s GLU 84 CO -0.03 0.54 0.42 -0.51 -1.33 0.00 0.00 175.26 174.36 1xsb s LEU 85 N -1.34 4.16 -0.18 1.83 1.43 0.28 -4.74 118.68 120.12 1xsb s LEU 85 Ca 0.14 0.19 -0.01 0.00 -1.03 0.00 0.00 54.13 53.42 1xsb s LEU 85 Cb -0.10 -2.48 -0.00 0.00 0.03 0.00 0.00 46.19 43.63 1xsb s LEU 85 CO 0.04 -0.28 -0.12 0.20 0.23 0.00 0.00 176.35 176.42 1xsb s ASN 86 N 1.66 3.86 -0.04 2.29 0.01 -1.26 -0.82 114.94 120.64 1xsb s ASN 86 Ca 0.16 -0.44 -0.29 0.00 -0.71 0.00 0.00 52.86 51.58 1xsb s ASN 86 Cb -0.16 -1.62 0.10 0.00 0.41 0.00 0.00 41.25 39.99 1xsb s ASN 86 CO 0.11 0.05 0.88 -0.72 -1.51 0.00 0.00 177.10 175.91 1xsb s TYR 87 N 1.02 -0.39 -0.38 2.20 -0.85 -1.12 -4.94 117.35 112.90 1xsb s TYR 87 Ca -0.01 0.42 -0.01 0.00 -0.52 0.00 0.00 57.07 56.95 1xsb s TYR 87 Cb -0.15 0.50 0.10 0.00 0.38 0.00 0.00 41.96 42.80 1xsb s TYR 87 CO -0.02 -0.51 0.14 0.54 -1.52 0.00 0.00 175.55 174.17 1xsb s VAL 88 N -2.44 2.93 0.00 -3.49 0.11 -1.26 -0.60 120.40 115.65 1xsb s VAL 88 Ca 0.01 -2.10 0.00 0.00 -2.93 0.00 0.00 61.98 56.96 1xsb s VAL 88 Cb -0.01 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.82 1xsb s VAL 88 CO -0.05 -0.62 0.02 0.00 -3.33 0.00 0.00 175.10 171.13 1xsb n ALA 89 N 4.48 0.00 0.15 1.54 0.00 -1.25 -4.55 120.51 120.89 1xsb n ALA 89 Ca -0.01 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.27 1xsb n ALA 89 Cb 0.42 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.78 1xsb n ALA 89 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1xsb h ARG 90 N 0.00 -0.75 0.00 0.00 2.43 -2.04 -3.43 114.38 110.58 1xsb h ARG 90 Ca 0.00 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1xsb h ARG 90 Cb 0.00 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1xsb h ARG 90 CO 0.00 -0.50 0.00 0.09 -1.51 0.00 0.00 179.97 178.05 1xsb n ASN 91 N -5.50 0.00 -3.78 -3.80 3.02 -1.26 -5.13 115.26 98.81 1xsb n ASN 91 Ca -0.09 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.27 1xsb n ASN 91 Cb 0.42 0.00 -0.17 0.00 -0.61 0.00 0.00 39.78 39.42 1xsb n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1xsb s LYS 92 N 0.00 0.31 -0.03 3.52 2.47 -1.26 -5.08 119.74 119.68 1xsb s LYS 92 Ca 0.00 0.13 -0.30 0.00 -1.56 0.00 0.00 55.97 54.24 1xsb s LYS 92 Cb 0.00 -0.60 -0.04 0.00 -1.46 0.00 0.00 37.83 35.73 1xsb s LYS 92 CO 0.00 -0.21 1.24 -1.25 0.16 0.00 0.00 175.35 175.30 1xsb s PRO 93 N 1.43 4.35 -0.14 4.03 0.04 -1.26 -3.85 135.00 139.60 1xsb s PRO 93 Ca -0.04 1.75 0.02 0.00 0.04 0.00 0.00 61.00 62.77 1xsb s PRO 93 Cb -0.13 -3.53 0.01 0.00 0.04 0.00 0.00 34.50 30.89 1xsb s PRO 93 CO -0.03 -0.45 -0.21 0.15 0.04 0.00 0.00 177.00 176.51 1xsb s LYS 94 N 2.08 3.07 -0.23 4.56 1.02 0.23 -0.91 119.74 129.56 1xsb s LYS 94 Ca 0.58 -0.83 -0.14 0.00 0.02 0.00 0.00 55.97 55.60 1xsb s LYS 94 Cb -0.27 -2.47 -0.04 0.00 -0.52 0.00 0.00 37.83 34.53 1xsb s LYS 94 CO 0.24 0.00 0.30 0.99 -0.92 0.00 0.00 175.35 175.96 1xsb s THR 95 N 0.79 5.26 -0.15 2.17 2.01 -0.78 -2.78 115.64 122.16 1xsb s THR 95 Ca -0.07 0.48 0.01 0.00 0.31 0.00 0.00 61.69 62.42 1xsb s THR 95 Cb -0.16 -3.63 0.01 0.00 0.01 0.00 0.00 72.50 68.73 1xsb s THR 95 CO -0.01 0.28 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.31 1xsb s VAL 96 N 1.31 2.29 -0.24 3.82 1.01 0.00 -0.79 120.40 127.81 1xsb s VAL 96 Ca 0.14 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 1xsb s VAL 96 Cb -0.14 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1xsb s VAL 96 CO 0.07 0.53 0.14 -0.63 0.00 0.00 0.00 175.10 175.22 1xsb s ILE 97 N 0.88 5.23 -0.09 2.22 -1.09 -1.01 0.10 121.20 127.44 1xsb s ILE 97 Ca -0.05 0.13 0.02 0.00 -2.23 0.00 0.00 60.65 58.53 1xsb s ILE 97 Cb -0.15 -3.43 -0.02 0.00 -1.58 0.00 0.00 42.46 37.28 1xsb s ILE 97 CO -0.03 0.35 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.56 1xsb s TYR 98 N 1.04 2.69 0.00 3.97 2.02 -0.67 -2.34 117.35 124.06 1xsb s TYR 98 Ca 0.07 -0.58 0.05 0.00 -0.37 0.00 0.00 57.07 56.24 1xsb s TYR 98 Cb -0.14 -1.73 -0.03 0.00 -0.40 0.00 0.00 41.96 39.66 1xsb s TYR 98 CO 0.04 -0.13 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.18 1xsb s TRP 99 N -0.02 2.71 0.18 2.71 0.51 -1.25 -3.86 118.94 119.92 1xsb s TRP 99 Ca -0.05 -0.15 -0.30 0.00 -2.12 0.00 0.00 56.10 53.48 1xsb s TRP 99 Cb -0.14 -1.56 -0.07 0.00 -0.81 0.00 0.00 33.47 30.88 1xsb s TRP 99 CO 0.04 0.28 1.05 -0.51 -0.51 0.00 0.00 176.95 177.30 1xsb s LEU 100 N -1.25 4.52 0.05 2.99 1.43 -1.26 -1.84 118.68 123.32 1xsb s LEU 100 Ca 0.15 2.01 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 1xsb s LEU 100 Cb -0.11 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1xsb s LEU 100 CO 0.05 -0.13 -0.04 0.00 0.23 0.00 0.00 176.35 176.46 1xsb s ALA 101 N -0.37 0.46 -0.10 4.21 0.00 0.83 0.14 121.76 126.93 1xsb s ALA 101 Ca 0.47 -0.93 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1xsb s ALA 101 Cb -0.28 0.17 0.02 0.00 0.00 0.00 0.00 23.12 23.03 1xsb s ALA 101 CO 0.34 -0.21 -0.12 -2.00 0.00 0.00 0.00 175.76 173.77 1xsb s GLU 102 N -2.59 1.82 0.08 0.00 2.12 -0.73 0.42 118.70 119.83 1xsb s GLU 102 Ca -0.04 -0.41 -0.30 0.00 0.36 0.00 0.00 54.97 54.58 1xsb s GLU 102 Cb -0.02 -1.64 -0.05 0.00 0.26 0.00 0.00 34.13 32.67 1xsb s GLU 102 CO -0.04 -0.11 1.05 0.14 -0.54 0.00 0.00 175.26 175.75 1xsb s VAL 103 N 1.15 4.37 0.23 3.70 -7.23 -1.26 -0.04 120.40 121.33 1xsb s VAL 103 Ca -0.05 1.84 -0.08 0.00 -1.81 0.00 0.00 61.98 61.88 1xsb s VAL 103 Cb -0.14 -4.18 0.21 0.00 0.56 0.00 0.00 36.38 32.83 1xsb s VAL 103 CO -0.03 0.22 1.91 0.11 -0.31 0.00 0.00 175.10 177.00 1xsb h LYS 104 N 6.09 1.16 -5.44 4.82 1.57 -0.93 -3.42 116.57 120.42 1xsb h LYS 104 Ca -0.42 -0.07 -0.63 0.00 -1.87 0.00 0.00 60.65 57.66 1xsb h LYS 104 Cb 1.21 -0.26 -0.10 0.00 0.08 0.00 0.00 32.23 33.16 1xsb h LYS 104 CO 0.75 0.77 -0.47 -0.51 -0.57 0.00 0.00 179.45 179.41 1xsb s ASP 105 N -6.00 6.30 0.16 0.86 1.01 -1.26 -4.98 116.67 112.76 1xsb s ASP 105 Ca -0.13 0.35 -0.12 0.00 0.71 0.00 0.00 52.55 53.36 1xsb s ASP 105 Cb 0.16 -2.09 0.04 0.00 1.01 0.00 0.00 42.92 42.04 1xsb s ASP 105 CO 0.80 0.27 1.66 0.22 0.21 0.00 0.00 175.17 178.33 1xsb h TYR 106 N 5.96 0.90 -0.44 4.23 3.20 -2.00 -1.38 116.97 127.45 1xsb h TYR 106 Ca -0.47 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.29 1xsb h TYR 106 Cb 1.18 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1xsb h TYR 106 CO 0.65 0.80 0.00 -0.25 -1.64 0.00 0.00 178.16 177.72 1xsb n ASP 107 N -4.41 4.25 -3.78 -2.11 8.00 -1.26 -4.98 116.55 112.26 1xsb n ASP 107 Ca 0.02 -2.58 -0.37 0.00 0.71 0.00 0.00 54.79 52.57 1xsb n ASP 107 Cb 0.24 -0.60 -0.00 0.00 -0.02 0.00 0.00 41.12 40.74 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1xsb n VAL 108 N 0.55 0.60 -1.84 2.53 3.14 -0.52 -4.75 118.33 118.03 1xsb n VAL 108 Ca 0.20 -0.44 -0.39 0.00 -2.96 0.00 0.00 64.34 60.75 1xsb n VAL 108 Cb 0.88 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.67 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 3.62 -0.27 1.45 -1.05 -1.26 -4.99 118.70 115.31 1xsb s GLU 109 Ca 0.52 2.33 0.02 0.00 -0.15 0.00 0.00 54.97 57.69 1xsb s GLU 109 Cb -0.57 -2.58 0.07 0.00 -0.44 0.00 0.00 34.13 30.61 1xsb s GLU 109 CO 0.55 -0.84 -0.02 0.42 0.95 0.00 0.00 175.26 176.32 1xsb s ILE 110 N -1.24 1.70 -0.22 1.83 -1.09 -1.25 -4.43 121.20 116.50 1xsb s ILE 110 Ca 0.63 -1.56 -0.07 0.00 -2.23 0.00 0.00 60.65 57.42 1xsb s ILE 110 Cb -0.42 -2.04 -0.03 0.00 -1.58 0.00 0.00 42.46 38.38 1xsb s ILE 110 CO 0.53 -0.28 0.05 -0.13 -1.23 0.00 0.00 174.94 173.88 1xsb s ARG 111 N 1.27 3.75 -0.09 2.79 1.81 1.50 -4.91 118.95 125.08 1xsb s ARG 111 Ca -0.00 -0.44 -0.01 0.00 -1.72 0.00 0.00 55.73 53.55 1xsb s ARG 111 Cb -0.19 -3.23 -0.03 0.00 -0.45 0.00 0.00 34.95 31.05 1xsb s ARG 111 CO -0.09 0.01 -0.01 -0.51 -0.68 0.00 0.00 175.30 174.01 1xsb s LEU 112 N 1.07 3.48 0.58 2.53 1.43 -1.26 -0.28 118.68 126.23 1xsb s LEU 112 Ca 0.04 0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1xsb s LEU 112 Cb -0.14 -1.79 0.03 0.00 0.03 0.00 0.00 46.19 44.31 1xsb s LEU 112 CO 0.03 0.36 0.86 -0.55 0.23 0.00 0.00 176.35 177.28 1xsb s SER 113 N -0.76 5.37 0.55 2.29 0.15 -1.25 -4.84 113.70 115.21 1xsb s SER 113 Ca 0.12 0.41 0.40 0.00 0.70 0.00 0.00 55.95 57.57 1xsb s SER 113 Cb -0.11 -1.34 1.57 0.00 -1.71 0.00 0.00 66.02 64.43 1xsb s SER 113 CO 0.02 -1.15 1.72 0.45 1.20 0.00 0.00 173.24 175.48 1xsb h HIS 114 N -0.12 0.00 -0.34 3.44 -0.00 -1.99 1.32 115.15 117.46 1xsb h HIS 114 Ca -0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 59.90 1xsb h HIS 114 Cb 1.28 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.67 1xsb h HIS 114 CO 0.41 0.00 0.11 0.93 -0.00 0.00 0.00 177.93 179.38 1xsb h GLU 115 N 0.00 0.49 -6.29 2.45 5.08 -1.90 -3.41 114.58 110.99 1xsb h GLU 115 Ca 0.65 -0.07 -0.69 0.00 -1.00 0.00 0.00 59.36 58.25 1xsb h GLU 115 Cb 2.67 -0.09 -0.30 0.00 0.50 0.00 0.00 28.75 31.53 1xsb h GLU 115 CO -0.01 0.43 -0.88 -1.01 -1.00 0.00 0.00 179.01 176.54 1xsb s HIS 116 N -5.19 2.40 -0.08 4.33 3.76 0.45 -3.63 115.29 117.34 1xsb s HIS 116 Ca -0.08 -0.57 0.12 0.00 -0.15 0.00 0.00 55.06 54.38 1xsb s HIS 116 Cb 0.16 -1.56 -0.17 0.00 1.11 0.00 0.00 32.58 32.13 1xsb s HIS 116 CO 0.74 -0.12 0.13 0.00 -0.85 0.00 0.00 174.74 174.65 1xsb n GLN 117 N 2.70 1.40 -3.74 1.40 10.64 -1.24 -3.86 117.38 124.68 1xsb n GLN 117 Ca -0.17 -0.05 -0.10 0.00 -1.83 0.00 0.00 57.00 54.85 1xsb n GLN 117 Cb 0.52 -1.31 -0.06 0.00 -0.86 0.00 0.00 30.24 28.52 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 -2.53 -0.60 0.14 2.61 0.00 -1.26 -5.00 121.76 115.12 1xsb s ALA 118 Ca -0.06 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.66 1xsb s ALA 118 Cb 0.05 0.56 -0.04 0.00 0.00 0.00 0.00 23.12 23.69 1xsb s ALA 118 CO 0.52 -0.56 -0.07 1.52 0.00 0.00 0.00 175.76 177.17 1xsb s TYR 119 N -3.66 1.18 0.02 0.00 1.13 -1.26 0.19 117.35 114.95 1xsb s TYR 119 Ca 0.03 -0.85 0.01 0.00 -1.41 0.00 0.00 57.07 54.84 1xsb s TYR 119 Cb 0.03 -0.64 -0.02 0.00 -1.10 0.00 0.00 41.96 40.23 1xsb s TYR 119 CO -0.10 -0.03 -0.04 1.03 -2.51 0.00 0.00 175.55 173.89 1xsb s ARG 120 N -3.81 0.35 -0.36 -3.49 0.52 -0.16 -4.95 118.95 107.06 1xsb s ARG 120 Ca 0.17 -0.57 -0.05 0.00 -0.52 0.00 0.00 55.73 54.77 1xsb s ARG 120 Cb 0.04 -0.05 0.06 0.00 0.52 0.00 0.00 34.95 35.52 1xsb s ARG 120 CO 0.00 -0.00 0.12 -1.58 0.02 0.00 0.00 175.30 173.86 1xsb s TRP 121 N -1.20 3.34 0.33 -0.53 0.52 -1.26 -2.54 118.94 117.60 1xsb s TRP 121 Ca -0.11 -1.76 0.03 0.00 0.02 0.00 0.00 56.10 54.28 1xsb s TRP 121 Cb -0.08 -2.54 -0.05 0.00 -1.15 0.00 0.00 33.47 29.65 1xsb s TRP 121 CO -0.00 -0.82 0.10 -0.51 0.02 0.00 0.00 176.95 175.74 1xsb s LEU 122 N 1.31 1.93 0.00 2.99 1.02 -1.25 -4.94 118.68 119.75 1xsb s LEU 122 Ca 0.00 -1.49 -0.11 0.00 0.02 0.00 0.00 54.13 52.55 1xsb s LEU 122 Cb -0.21 -0.13 0.18 0.00 0.02 0.00 0.00 46.19 46.06 1xsb s LEU 122 CO 0.00 -0.77 1.12 0.61 0.02 0.00 0.00 176.35 177.34 1xsb n GLY 123 N -0.69 -0.95 0.37 -3.19 0.00 -1.26 -1.56 105.19 97.91 1xsb n GLY 123 Ca -0.02 -1.78 0.02 0.00 0.00 0.00 0.00 46.02 44.23 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 1.03 0.33 0.99 5.85 -1.91 0.47 115.31 122.07 1xsb h LEU 124 Ca -0.37 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1xsb h LEU 124 Cb 1.07 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 1xsb h LEU 124 CO 0.28 0.69 -0.22 1.05 -0.34 0.00 0.00 178.44 179.90 1xsb h GLU 125 N 1.18 -0.51 -0.07 1.25 4.11 -1.94 0.29 114.58 118.89 1xsb h GLU 125 Ca 0.40 0.04 -0.05 0.00 0.07 0.00 0.00 59.36 59.81 1xsb h GLU 125 Cb 0.08 0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1xsb h GLU 125 CO -0.14 -0.34 -0.17 0.93 0.07 0.00 0.00 179.01 179.36 1xsb h GLU 126 N -0.53 0.24 -0.89 1.06 3.07 -1.85 0.73 114.58 116.41 1xsb h GLU 126 Ca -0.03 -0.16 0.24 0.00 -0.50 0.00 0.00 59.36 58.90 1xsb h GLU 126 Cb 0.45 0.02 -0.05 0.00 -0.84 0.00 0.00 28.75 28.33 1xsb h GLU 126 CO 0.02 0.76 0.62 0.00 -1.40 0.00 0.00 179.01 179.01 1xsb h ALA 127 N 0.47 2.58 0.06 3.43 0.00 -0.01 0.88 119.26 126.68 1xsb h ALA 127 Ca -0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 1xsb h ALA 127 Cb 0.76 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.60 1xsb h ALA 127 CO 0.04 -0.85 -1.11 0.00 0.00 0.00 0.00 179.25 177.33 1xsb h GLN 129 N 0.26 0.27 -0.35 0.00 -0.00 0.30 -3.04 115.11 112.55 1xsb h GLN 129 Ca -0.14 -0.07 -0.08 0.00 -0.00 0.00 0.00 58.65 58.36 1xsb h GLN 129 Cb 1.77 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 29.21 1xsb h GLN 129 CO 0.20 0.44 -0.09 -0.07 -0.00 0.00 0.00 178.83 179.32 1xsb h LEU 130 N 0.05 0.69 -4.33 0.06 3.38 -0.55 -2.96 115.31 111.66 1xsb h LEU 130 Ca 0.05 -0.37 -0.33 0.00 0.09 0.00 0.00 57.88 57.32 1xsb h LEU 130 Cb 0.31 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1xsb h LEU 130 CO 0.00 0.90 0.92 0.00 0.09 0.00 0.00 178.44 180.35 1xsb n ALA 131 N -2.43 6.63 -0.47 1.53 0.00 -0.46 -3.97 120.51 121.33 1xsb n ALA 131 Ca -0.02 -2.30 0.38 0.00 0.00 0.00 0.00 53.44 51.50 1xsb n ALA 131 Cb 0.34 -2.64 0.63 0.00 0.00 0.00 0.00 19.45 17.78 1xsb n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsb n GLN 132 N 2.85 -0.02 -1.68 0.00 10.64 -1.12 -3.70 117.38 124.35 1xsb n GLN 132 Ca 0.53 1.06 -0.45 0.00 -1.83 0.00 0.00 57.00 56.30 1xsb n GLN 132 Cb 0.69 -2.17 -0.04 0.00 -0.86 0.00 0.00 30.24 27.86 1xsb n GLN 132 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1xsb n PHE 133 N -4.24 2.42 -0.13 2.61 3.72 -1.26 -4.82 117.46 115.75 1xsb n PHE 133 Ca 0.36 -0.02 0.09 0.00 -0.05 0.00 0.00 57.45 57.83 1xsb n PHE 133 Cb 1.48 -2.67 0.42 0.00 -0.94 0.00 0.00 39.48 37.78 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 8.37 0.57 -0.53 -1.08 3.64 -1.96 -0.30 116.57 125.27 1xsb h LYS 134 Ca -0.47 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 58.93 1xsb h LYS 134 Cb 1.25 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 1xsb h LYS 134 CO 0.93 0.38 0.25 0.93 -2.27 0.00 0.00 179.45 179.67 1xsb h GLU 135 N 0.59 0.47 0.06 1.90 5.08 -1.89 0.52 114.58 121.30 1xsb h GLU 135 Ca 0.29 -0.03 -0.20 0.00 -1.00 0.00 0.00 59.36 58.42 1xsb h GLU 135 Cb 0.38 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.55 1xsb h GLU 135 CO -0.09 0.31 -0.84 0.52 -1.00 0.00 0.00 179.01 177.91 1xsb h MET 136 N 0.48 0.46 -0.65 2.33 2.86 -1.58 0.26 114.93 119.08 1xsb h MET 136 Ca 0.24 -0.57 0.07 0.00 -2.06 0.00 0.00 59.70 57.38 1xsb h MET 136 Cb 0.18 0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 1xsb h MET 136 CO -0.19 1.22 0.43 0.87 1.06 0.00 0.00 176.91 180.30 1xsb h LYS 137 N -0.04 0.60 -0.03 1.72 1.57 -0.80 1.12 116.57 120.71 1xsb h LYS 137 Ca -0.12 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.56 1xsb h LYS 137 Cb 1.56 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.74 1xsb h LYS 137 CO 0.16 0.40 -0.22 0.00 -0.57 0.00 0.00 179.45 179.22 1xsb h ALA 138 N 1.65 0.07 -0.31 3.86 0.00 0.13 0.17 119.26 124.84 1xsb h ALA 138 Ca 0.29 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1xsb h ALA 138 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1xsb h ALA 138 CO -0.09 0.07 0.16 0.00 0.00 0.00 0.00 179.25 179.39 1xsb h ALA 139 N 0.36 0.38 -0.03 0.00 0.00 0.78 1.50 119.26 122.25 1xsb h ALA 139 Ca -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1xsb h ALA 139 Cb 0.91 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1xsb h ALA 139 CO 0.05 -0.21 -0.18 -0.07 0.00 0.00 0.00 179.25 178.83 1xsb h LEU 140 N 0.34 0.04 0.05 0.00 3.38 0.12 -0.54 115.31 118.69 1xsb h LEU 140 Ca 0.13 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1xsb h LEU 140 Cb 0.03 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1xsb h LEU 140 CO -0.08 0.23 -0.02 1.56 0.09 0.00 0.00 178.44 180.21 1xsb h GLN 141 N 0.04 -0.07 -0.49 1.13 1.08 0.23 -3.02 115.11 114.00 1xsb h GLN 141 Ca 0.01 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.15 1xsb h GLN 141 Cb 0.35 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1xsb h GLN 141 CO 0.02 0.56 0.04 0.93 -0.95 0.00 0.00 178.83 179.43 1xsb h GLU 142 N -0.82 0.79 -0.12 1.46 4.39 0.21 -1.31 114.58 119.18 1xsb h GLU 142 Ca -0.01 -0.20 0.02 0.00 0.34 0.00 0.00 59.36 59.51 1xsb h GLU 142 Cb 0.65 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1xsb h GLU 142 CO 0.01 0.77 0.01 0.78 -1.16 0.00 0.00 179.01 179.43 1xsb h GLY 143 N 0.97 0.12 1.00 -3.84 0.00 -1.19 0.22 103.07 100.35 1xsb h GLY 143 Ca 0.15 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 1xsb h GLY 143 CO 0.01 -0.01 0.33 0.84 0.00 0.00 0.00 176.54 177.71 1xsb h HIS 144 N 0.06 0.97 -0.73 5.60 -0.00 -1.37 -1.05 115.15 118.63 1xsb h HIS 144 Ca 0.05 -0.05 0.04 0.00 -0.00 0.00 0.00 60.37 60.42 1xsb h HIS 144 Cb 0.05 -0.30 -0.05 0.00 -0.00 0.00 0.00 27.41 27.12 1xsb h HIS 144 CO -0.13 0.72 0.45 0.37 -0.00 0.00 0.00 177.93 179.35 1xsb h GLN 145 N 0.93 0.85 -0.01 5.26 5.75 -0.58 -2.15 115.11 125.15 1xsb h GLN 145 Ca 0.23 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 1xsb h GLN 145 Cb 0.11 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.47 1xsb h GLN 145 CO -0.03 0.56 -0.04 0.35 -2.65 0.00 0.00 178.83 177.02 1xsb h PHE 146 N 0.87 0.06 -0.91 3.99 3.04 -0.61 -3.16 116.94 120.22 1xsb h PHE 146 Ca 0.30 -0.03 0.16 0.00 3.98 0.00 0.00 57.97 62.39 1xsb h PHE 146 Cb 0.06 -0.01 -0.07 0.00 2.56 0.00 0.00 35.95 38.48 1xsb h PHE 146 CO -0.04 0.68 0.58 -0.07 -2.02 0.00 0.00 178.31 177.45 1xsb h LEU 147 N -0.58 0.61 -1.01 0.59 3.38 -1.10 1.21 115.31 118.40 1xsb h LEU 147 Ca -0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xsb h LEU 147 Cb 0.69 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1xsb h LEU 147 CO 0.01 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.82 1xsb n SER 149 N -2.40 0.39 0.00 0.00 2.88 0.41 -0.99 113.62 113.92 1xsb n SER 149 Ca 0.01 -0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1xsb n SER 149 Cb 0.21 -0.01 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 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 -1.37 0.00 -0.16 2.46 5.41 -0.75 -4.47 119.36 120.48 1xsb n ILE 150 Ca 0.08 0.00 0.03 0.00 1.00 0.00 0.00 62.75 63.85 1xsb n ILE 150 Cb 0.33 0.00 0.32 0.00 -0.71 0.00 0.00 39.64 39.58 1xsb n ILE 150 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1xsb h GLU 151 N 0.00 0.82 -0.13 0.38 4.81 -1.87 -1.24 114.58 117.35 1xsb h GLU 151 Ca 0.00 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1xsb h GLU 151 Cb 0.00 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1xsb h GLU 151 CO 0.00 0.54 0.09 0.00 -0.73 0.00 0.00 179.01 178.91 1xsb h ALA 152 N 1.60 2.11 0.00 2.92 0.00 -1.77 -3.52 119.26 120.60 1xsb h ALA 152 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1xsb h ALA 152 Cb -0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xsb h ALA 152 CO -0.07 -0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.32