#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsb h PRO 2 N 0.00 0.00 -6.92 1.61 0.13 -2.06 -3.44 132.00 121.31 1xsb h PRO 2 Ca 0.00 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.64 1xsb h PRO 2 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 1xsb h PRO 2 CO 0.00 0.31 0.45 -0.51 -0.23 0.00 0.00 178.00 178.02 1xsb s LEU 3 N -6.90 4.24 0.00 1.56 2.01 -1.26 -4.82 118.68 113.52 1xsb s LEU 3 Ca 0.01 2.16 0.00 0.00 0.01 0.00 0.00 54.13 56.31 1xsb s LEU 3 Cb 0.10 -4.02 0.00 0.00 0.01 0.00 0.00 46.19 42.28 1xsb s LEU 3 CO 0.67 -0.46 0.00 0.61 1.01 0.00 0.00 176.35 178.18 1xsb n GLY 4 N 0.60 -2.37 3.73 -3.19 0.00 -1.26 -4.95 105.19 97.76 1xsb n GLY 4 Ca 0.03 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 1xsb n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsb s SER 5 N -3.03 3.80 0.17 1.61 1.04 -1.26 -5.01 113.70 111.01 1xsb s SER 5 Ca 0.00 1.67 -0.13 0.00 0.48 0.00 0.00 55.95 57.97 1xsb s SER 5 Cb 0.00 -2.34 -0.07 0.00 0.10 0.00 0.00 66.02 63.71 1xsb s SER 5 CO 0.00 -2.46 0.55 -0.04 0.98 0.00 0.00 173.24 172.27 1xsb s MET 6 N -4.89 3.92 0.45 4.02 -1.94 -1.26 -4.92 119.30 114.68 1xsb s MET 6 Ca 0.63 0.42 0.00 0.00 -1.71 0.00 0.00 55.69 55.03 1xsb s MET 6 Cb -0.18 -2.85 0.00 0.00 2.01 0.00 0.00 34.83 33.81 1xsb s MET 6 CO 0.57 0.44 0.00 0.00 -0.01 0.00 0.00 175.02 176.01 1xsb n ALA 7 N 0.55 -2.91 -2.85 3.03 0.00 -1.26 -4.86 120.51 112.21 1xsb n ALA 7 Ca -0.04 0.67 -0.37 0.00 0.00 0.00 0.00 53.44 53.71 1xsb n ALA 7 Cb 0.52 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.72 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 -6.57 4.33 -0.05 0.00 1.02 0.49 -4.98 118.68 112.92 1xsb s LEU 8 Ca 0.00 0.42 -0.23 0.00 0.02 0.00 0.00 54.13 54.34 1xsb s LEU 8 Cb 0.00 -2.07 -0.04 0.00 0.02 0.00 0.00 46.19 44.10 1xsb s LEU 8 CO 0.00 0.37 0.70 -0.60 0.02 0.00 0.00 176.35 176.83 1xsb s ARG 9 N -0.78 4.43 0.07 1.70 3.52 -1.26 -1.91 118.95 124.71 1xsb s ARG 9 Ca 0.14 0.88 -0.04 0.00 -0.13 0.00 0.00 55.73 56.58 1xsb s ARG 9 Cb -0.12 -3.43 -0.02 0.00 -1.56 0.00 0.00 34.95 29.82 1xsb s ARG 9 CO 0.03 0.12 0.07 0.00 -0.81 0.00 0.00 175.30 174.71 1xsb s ALA 10 N 0.60 0.18 -0.12 6.12 0.00 -0.77 -3.50 121.76 124.27 1xsb s ALA 10 Ca 0.37 -0.94 -0.05 0.00 0.00 0.00 0.00 51.96 51.34 1xsb s ALA 10 Cb -0.18 0.36 0.06 0.00 0.00 0.00 0.00 23.12 23.35 1xsb s ALA 10 CO 0.18 -0.42 0.26 0.00 0.00 0.00 0.00 175.76 175.78 1xsb s GLY 12 N 1.95 2.59 -0.18 0.00 0.00 -1.06 -2.41 107.32 108.20 1xsb s GLY 12 Ca -0.03 -1.68 0.01 0.00 0.00 0.00 0.00 44.72 43.01 1xsb s GLY 12 CO -0.09 -2.07 -0.15 1.08 0.00 0.00 0.00 173.10 171.88 1xsb s LEU 13 N -3.71 2.11 -0.57 0.66 1.43 -1.17 -3.91 118.68 113.52 1xsb s LEU 13 Ca 0.27 -0.70 -0.26 0.00 -1.03 0.00 0.00 54.13 52.40 1xsb s LEU 13 Cb 0.07 -1.33 0.03 0.00 0.03 0.00 0.00 46.19 45.00 1xsb s LEU 13 CO 0.13 -0.07 1.08 -0.63 0.23 0.00 0.00 176.35 177.10 1xsb s ILE 14 N 1.37 4.18 -0.03 -0.59 1.01 -0.65 -4.42 121.20 122.07 1xsb s ILE 14 Ca 0.03 0.63 -0.09 0.00 0.00 0.00 0.00 60.65 61.21 1xsb s ILE 14 Cb -0.14 -4.64 -0.05 0.00 0.01 0.00 0.00 42.46 37.64 1xsb s ILE 14 CO -0.11 -1.24 0.27 -0.63 0.00 0.00 0.00 174.94 173.24 1xsb s ILE 15 N 4.51 5.28 -0.08 2.92 1.01 -1.26 1.00 121.20 134.58 1xsb s ILE 15 Ca 0.37 0.39 -0.03 0.00 0.00 0.00 0.00 60.65 61.38 1xsb s ILE 15 Cb -0.10 -3.55 0.05 0.00 0.01 0.00 0.00 42.46 38.86 1xsb s ILE 15 CO 0.23 0.51 0.16 0.72 0.00 0.00 0.00 174.94 176.55 1xsb s PHE 16 N -1.15 -0.18 -0.38 3.97 -0.71 1.12 -1.99 117.98 118.66 1xsb s PHE 16 Ca 0.22 0.59 -0.26 0.00 -1.04 0.00 0.00 56.93 56.45 1xsb s PHE 16 Cb -0.14 -0.22 0.02 0.00 -1.21 0.00 0.00 43.02 41.47 1xsb s PHE 16 CO 0.11 -0.25 0.92 0.50 -1.34 0.00 0.00 175.22 175.16 1xsb s ARG 17 N 2.04 3.81 0.03 1.99 6.06 -0.13 -3.92 118.95 128.83 1xsb s ARG 17 Ca 0.00 0.53 -0.06 0.00 -2.50 0.00 0.00 55.73 53.70 1xsb s ARG 17 Cb -0.12 -3.81 -0.05 0.00 0.06 0.00 0.00 34.95 31.03 1xsb s ARG 17 CO -0.06 -0.97 0.28 0.50 -2.50 0.00 0.00 175.30 172.56 1xsb s ARG 18 N 3.48 3.58 0.34 5.12 3.52 -1.26 -3.32 118.95 130.40 1xsb s ARG 18 Ca 0.38 -0.10 -0.05 0.00 -0.13 0.00 0.00 55.73 55.83 1xsb s ARG 18 Cb -0.12 -3.04 -0.05 0.00 -1.56 0.00 0.00 34.95 30.18 1xsb s ARG 18 CO 0.19 0.62 0.61 0.00 -0.81 0.00 0.00 175.30 175.91 1xsb h LEU 20 N 1.29 0.87 -7.20 0.00 3.38 -1.96 -3.44 115.31 108.26 1xsb h LEU 20 Ca -0.48 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.49 1xsb h LEU 20 Cb 1.20 -0.12 -0.16 0.00 0.09 0.00 0.00 40.66 41.67 1xsb h LEU 20 CO 0.64 0.46 0.04 0.27 0.09 0.00 0.00 178.44 179.94 1xsb s ILE 21 N -5.97 0.03 0.68 1.22 -4.36 -1.26 -5.01 121.20 106.53 1xsb s ILE 21 Ca -0.12 -0.24 -0.17 0.00 -0.26 0.00 0.00 60.65 59.86 1xsb s ILE 21 Cb 0.22 -0.98 0.01 0.00 1.25 0.00 0.00 42.46 42.96 1xsb s ILE 21 CO 0.80 -0.13 1.27 -2.84 0.24 0.00 0.00 174.94 174.28 1xsb s PRO 22 N -2.53 2.38 0.00 0.37 0.02 -1.26 -4.99 135.00 128.99 1xsb s PRO 22 Ca -0.05 1.98 0.00 0.00 0.02 0.00 0.00 61.00 62.95 1xsb s PRO 22 Cb -0.01 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.68 1xsb s PRO 22 CO -0.02 -1.71 0.00 1.17 -0.33 0.00 0.00 177.00 176.11 1xsb n LYS 23 N -2.20 0.00 0.00 5.54 3.00 -1.26 -4.86 118.16 118.38 1xsb n LYS 23 Ca 0.15 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.59 1xsb n LYS 23 Cb 0.49 0.00 0.56 0.00 0.00 0.00 0.00 35.03 36.08 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1xsb n VAL 24 N -0.72 0.19 -3.65 3.15 0.31 -1.26 -4.90 118.33 111.45 1xsb n VAL 24 Ca 0.00 0.04 -0.24 0.00 -0.01 0.00 0.00 64.34 64.13 1xsb n VAL 24 Cb 0.00 -0.59 0.06 0.00 -0.91 0.00 0.00 33.84 32.40 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 -1.52 -4.69 0.00 4.52 8.00 -1.26 -4.90 116.55 116.70 1xsb n ASP 25 Ca 0.06 -0.64 0.00 0.00 0.71 0.00 0.00 54.79 54.92 1xsb n ASP 25 Cb 0.31 -4.69 0.00 0.00 -0.02 0.00 0.00 41.12 36.72 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 -3.00 0.00 -3.16 -2.24 5.15 -1.26 -4.90 115.26 105.85 1xsb n ASN 26 Ca -0.07 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 53.52 1xsb n ASN 26 Cb 0.58 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.86 1xsb n ASN 26 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1xsb n ASN 27 N -0.80 7.12 -0.20 1.20 6.94 -1.26 -4.75 115.26 123.50 1xsb n ASN 27 Ca 0.00 -3.77 0.02 0.00 -0.02 0.00 0.00 54.58 50.81 1xsb n ASN 27 Cb 0.00 -1.04 0.27 0.00 -2.36 0.00 0.00 39.78 36.65 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 3.43 1.51 -3.99 -2.53 0.00 -1.95 -3.41 119.26 112.31 1xsb h ALA 28 Ca 0.52 -0.05 -0.69 0.00 0.00 0.00 0.00 54.91 54.69 1xsb h ALA 28 Cb 0.22 -0.28 -0.30 0.00 0.00 0.00 0.00 17.79 17.43 1xsb h ALA 28 CO 1.27 0.44 -0.86 0.42 0.00 0.00 0.00 179.25 180.52 1xsb s ILE 29 N -5.81 2.25 0.17 0.00 1.01 -1.26 -3.86 121.20 113.70 1xsb s ILE 29 Ca -0.11 -1.00 0.08 0.00 0.00 0.00 0.00 60.65 59.63 1xsb s ILE 29 Cb 0.18 -1.83 -0.04 0.00 0.01 0.00 0.00 42.46 40.78 1xsb s ILE 29 CO 0.78 0.57 -0.17 -1.61 0.00 0.00 0.00 174.94 174.51 1xsb s GLU 30 N -0.21 1.28 0.14 2.79 2.02 -1.21 -4.29 118.70 119.21 1xsb s GLU 30 Ca -0.02 -1.45 0.10 0.00 0.02 0.00 0.00 54.97 53.62 1xsb s GLU 30 Cb -0.13 -1.25 -0.04 0.00 0.10 0.00 0.00 34.13 32.80 1xsb s GLU 30 CO 0.03 0.24 -0.21 -0.06 0.02 0.00 0.00 175.26 175.29 1xsb s PHE 31 N -2.29 2.44 -0.09 1.61 0.08 -0.55 -0.95 117.98 118.22 1xsb s PHE 31 Ca 0.17 -0.31 -0.26 0.00 0.12 0.00 0.00 56.93 56.66 1xsb s PHE 31 Cb -0.04 -1.29 -0.03 0.00 -0.57 0.00 0.00 43.02 41.09 1xsb s PHE 31 CO 0.07 0.40 0.82 -1.17 -0.10 0.00 0.00 175.22 175.23 1xsb s LEU 32 N -2.24 4.27 -0.05 -0.37 2.96 -0.84 -3.70 118.68 118.71 1xsb s LEU 32 Ca 0.18 1.29 0.03 0.00 -0.22 0.00 0.00 54.13 55.41 1xsb s LEU 32 Cb -0.10 -3.26 0.00 0.00 0.50 0.00 0.00 46.19 43.33 1xsb s LEU 32 CO 0.09 -0.27 -0.15 -0.76 -1.32 0.00 0.00 176.35 173.95 1xsb s LEU 33 N 1.41 1.81 -0.09 -0.68 1.43 -1.15 -4.62 118.68 116.80 1xsb s LEU 33 Ca 0.41 -0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 1xsb s LEU 33 Cb -0.18 -0.89 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 1xsb s LEU 33 CO 0.18 0.10 -0.01 -0.76 0.23 0.00 0.00 176.35 176.09 1xsb s LEU 34 N 0.30 3.51 -0.20 1.79 1.43 -1.05 -1.82 118.68 122.63 1xsb s LEU 34 Ca -0.08 0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 52.95 1xsb s LEU 34 Cb -0.13 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 1xsb s LEU 34 CO 0.03 0.35 0.39 -1.58 0.23 0.00 0.00 176.35 175.76 1xsb s GLN 35 N -0.70 4.16 0.40 1.70 0.74 0.90 -1.59 119.66 125.28 1xsb s GLN 35 Ca 0.11 0.18 -0.26 0.00 0.05 0.00 0.00 55.36 55.44 1xsb s GLN 35 Cb -0.12 -3.54 -0.11 0.00 1.10 0.00 0.00 33.01 30.35 1xsb s GLN 35 CO 0.02 -0.04 1.17 0.00 -0.55 0.00 0.00 175.29 175.89 1xsb n ALA 36 N 4.49 0.84 1.60 1.58 0.00 -0.90 -1.32 120.51 126.79 1xsb n ALA 36 Ca -0.09 0.28 0.15 0.00 0.00 0.00 0.00 53.44 53.78 1xsb n ALA 36 Cb 0.51 -2.19 0.77 0.00 0.00 0.00 0.00 19.45 18.55 1xsb n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xsb n SER 37 N 0.46 0.17 -2.54 0.00 3.41 0.70 -4.45 113.62 111.37 1xsb n SER 37 Ca 0.07 -0.55 -0.10 0.00 -0.26 0.00 0.00 58.87 58.03 1xsb n SER 37 Cb 0.38 -0.14 -0.00 0.00 -0.26 0.00 0.00 64.21 64.19 1xsb n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xsb n ASP 38 N -1.07 -1.47 0.00 4.04 5.68 -1.26 -4.94 116.55 117.53 1xsb n ASP 38 Ca 0.17 -2.42 0.00 0.00 -0.50 0.00 0.00 54.79 52.04 1xsb n ASP 38 Cb 0.21 2.57 0.00 0.00 -1.14 0.00 0.00 41.12 42.76 1xsb n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsb n GLY 39 N -0.45 -0.98 0.00 6.12 0.00 -1.26 -3.44 105.19 105.18 1xsb n GLY 39 Ca -0.03 -1.31 0.06 0.00 0.00 0.00 0.00 46.02 44.74 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 -3.16 -0.61 -5.35 -1.26 -4.85 119.36 104.12 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 -0.47 0.07 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 -0.79 -2.29 -3.10 4.28 8.25 -1.22 -5.01 115.22 115.32 1xsb n HIS 41 Ca 0.09 0.82 -0.17 0.00 -0.26 0.00 0.00 57.72 58.19 1xsb n HIS 41 Cb 0.04 -4.12 0.01 0.00 1.12 0.00 0.00 29.99 27.04 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 -3.36 2.87 -0.13 4.41 -0.00 -1.26 -4.81 115.29 113.01 1xsb s HIS 42 Ca 0.39 -0.36 -0.05 0.00 -0.00 0.00 0.00 55.06 55.03 1xsb s HIS 42 Cb -0.05 -2.30 -0.04 0.00 -0.00 0.00 0.00 32.58 30.19 1xsb s HIS 42 CO 0.69 -0.34 0.05 -1.58 -0.00 0.00 0.00 174.74 173.57 1xsb s TRP 43 N -2.32 3.29 -0.09 0.38 0.52 -1.26 -2.12 118.94 117.35 1xsb s TRP 43 Ca 0.53 0.22 -0.24 0.00 0.02 0.00 0.00 56.10 56.63 1xsb s TRP 43 Cb -0.10 -1.93 0.05 0.00 -1.15 0.00 0.00 33.47 30.35 1xsb s TRP 43 CO 0.33 0.41 0.56 0.95 0.02 0.00 0.00 176.95 179.22 1xsb s THR 44 N -0.46 0.01 0.79 2.01 -4.23 -0.62 -4.46 115.64 108.69 1xsb s THR 44 Ca 0.10 -0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 60.35 1xsb s THR 44 Cb -0.12 -0.86 0.07 0.00 1.34 0.00 0.00 72.50 72.94 1xsb s THR 44 CO 0.02 -0.07 1.21 -2.84 -0.54 0.00 0.00 174.62 172.41 1xsb s PRO 45 N -0.83 1.72 -0.75 3.99 0.02 -1.26 -2.54 135.00 135.36 1xsb s PRO 45 Ca -0.09 1.77 -0.27 0.00 0.02 0.00 0.00 61.00 62.43 1xsb s PRO 45 Cb -0.02 -1.78 -0.15 0.00 0.02 0.00 0.00 34.50 32.56 1xsb s PRO 45 CO 0.06 -2.15 2.53 -0.35 -0.33 0.00 0.00 177.00 176.76 1xsb n PRO 46 N -3.18 0.52 -3.64 5.54 -0.04 -1.26 -4.82 135.00 128.12 1xsb n PRO 46 Ca 0.14 -0.05 -0.34 0.00 -0.04 0.00 0.00 63.50 63.20 1xsb n PRO 46 Cb 0.50 -2.52 -0.05 0.00 -0.04 0.00 0.00 33.50 31.39 1xsb n PRO 46 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1xsb s LYS 47 N 8.57 3.69 0.27 0.54 1.02 -1.26 -3.02 119.74 129.55 1xsb s LYS 47 Ca 1.16 0.07 -0.02 0.00 0.02 0.00 0.00 55.97 57.20 1xsb s LYS 47 Cb -0.67 -3.01 -0.02 0.00 -0.52 0.00 0.00 37.83 33.61 1xsb s LYS 47 CO 0.36 0.58 0.31 0.20 -0.92 0.00 0.00 175.35 175.89 1xsb s GLY 48 N -1.80 1.47 -0.09 -3.33 0.00 -1.01 -4.96 107.32 97.60 1xsb s GLY 48 Ca 0.32 -1.58 0.02 0.00 0.00 0.00 0.00 44.72 43.47 1xsb s GLY 48 CO 0.18 -1.17 -0.13 0.30 0.00 0.00 0.00 173.10 172.28 1xsb s HIS 49 N -3.71 2.78 0.01 1.90 3.76 -1.26 -2.11 115.29 116.66 1xsb s HIS 49 Ca 0.34 -0.32 -0.17 0.00 -0.15 0.00 0.00 55.06 54.76 1xsb s HIS 49 Cb 0.03 -1.73 -0.06 0.00 1.11 0.00 0.00 32.58 31.93 1xsb s HIS 49 CO 0.17 0.05 0.49 0.54 -0.85 0.00 0.00 174.74 175.14 1xsb s VAL 50 N -0.30 4.94 0.54 -0.90 0.11 -1.23 -4.92 120.40 118.65 1xsb s VAL 50 Ca 0.03 1.02 -0.07 0.00 -2.93 0.00 0.00 61.98 60.03 1xsb s VAL 50 Cb -0.13 -3.81 -0.03 0.00 -1.53 0.00 0.00 36.38 30.88 1xsb s VAL 50 CO 0.03 0.52 0.88 -1.83 -3.33 0.00 0.00 175.10 171.36 1xsb s GLU 51 N -0.74 3.42 0.43 1.54 -1.05 -1.26 -4.90 118.70 116.14 1xsb s GLU 51 Ca 0.26 0.30 0.18 0.00 -0.15 0.00 0.00 54.97 55.57 1xsb s GLU 51 Cb -0.18 -2.27 1.11 0.00 -0.44 0.00 0.00 34.13 32.35 1xsb s GLU 51 CO 0.15 -0.41 1.89 -1.00 0.95 0.00 0.00 175.26 176.84 1xsb h PRO 52 N -0.01 0.35 -0.45 -4.83 0.13 -2.00 0.12 132.00 125.31 1xsb h PRO 52 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1xsb h PRO 52 Cb 1.21 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1xsb h PRO 52 CO 0.62 0.23 0.00 0.41 -0.23 0.00 0.00 178.00 179.03 1xsb n GLY 53 N -1.54 3.13 3.91 1.56 0.00 -1.26 -4.97 105.19 106.02 1xsb n GLY 53 Ca 0.17 -0.77 -0.32 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.90 3.43 0.77 1.61 2.12 0.41 -5.09 118.70 120.05 1xsb s GLU 54 Ca 0.41 -0.40 -0.11 0.00 0.36 0.00 0.00 54.97 55.22 1xsb s GLU 54 Cb 0.28 -3.06 0.05 0.00 0.26 0.00 0.00 34.13 31.66 1xsb s GLU 54 CO 0.18 0.63 1.08 0.34 -0.54 0.00 0.00 175.26 176.95 1xsb s ASP 55 N -2.32 4.69 -0.04 -1.70 3.68 -1.26 -4.60 116.67 115.12 1xsb s ASP 55 Ca 0.32 1.47 -0.07 0.00 2.13 0.00 0.00 52.55 56.40 1xsb s ASP 55 Cb -0.13 -2.24 -0.04 0.00 -1.45 0.00 0.00 42.92 39.06 1xsb s ASP 55 CO 0.25 -1.87 0.38 0.44 0.13 0.00 0.00 175.17 174.50 1xsb h ASP 56 N -1.02 -0.22 -0.86 -0.34 3.32 -1.98 -3.03 116.42 112.29 1xsb h ASP 56 Ca -0.46 0.01 0.01 0.00 0.02 0.00 0.00 57.03 56.60 1xsb h ASP 56 Cb 1.25 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.81 1xsb h ASP 56 CO 0.57 0.09 0.56 0.25 -1.72 0.00 0.00 179.24 178.99 1xsb h LEU 57 N -0.74 1.00 -0.93 1.55 5.85 -1.97 -2.12 115.31 117.94 1xsb h LEU 57 Ca -0.03 -0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.77 1xsb h LEU 57 Cb 0.20 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 40.89 1xsb h LEU 57 CO 0.04 0.74 0.56 -0.33 -0.34 0.00 0.00 178.44 179.11 1xsb h GLU 58 N 1.18 0.86 -0.86 1.25 3.07 -1.97 0.47 114.58 118.59 1xsb h GLU 58 Ca 0.32 -0.05 0.05 0.00 -0.50 0.00 0.00 59.36 59.18 1xsb h GLU 58 Cb -0.11 -0.19 -0.06 0.00 -0.84 0.00 0.00 28.75 27.54 1xsb h GLU 58 CO -0.07 0.57 0.54 1.15 -1.40 0.00 0.00 179.01 179.80 1xsb h THR 59 N 0.89 1.07 -0.41 1.13 2.02 -1.25 1.47 112.91 117.82 1xsb h THR 59 Ca 0.46 -0.34 -0.06 0.00 0.77 0.00 0.00 66.41 67.24 1xsb h THR 59 Cb 0.47 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1xsb h THR 59 CO -0.27 0.18 0.01 0.00 0.37 0.00 0.00 175.52 175.82 1xsb h ALA 60 N 1.39 0.56 0.15 6.16 0.00 -0.33 0.32 119.26 127.50 1xsb h ALA 60 Ca 0.36 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1xsb h ALA 60 Cb 0.12 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xsb h ALA 60 CO -0.16 0.33 -0.07 -0.07 0.00 0.00 0.00 179.25 179.28 1xsb h LEU 61 N 0.56 -0.17 -0.53 0.00 3.38 0.17 0.63 115.31 119.34 1xsb h LEU 61 Ca 0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1xsb h LEU 61 Cb 0.46 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1xsb h LEU 61 CO 0.02 -0.07 0.31 -0.09 0.09 0.00 0.00 178.44 178.70 1xsb h ARG 62 N -0.26 0.73 -0.21 1.13 2.43 0.21 -2.28 114.38 116.13 1xsb h ARG 62 Ca -0.02 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 58.96 1xsb h ARG 62 Cb 0.20 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1xsb h ARG 62 CO 0.03 0.55 -0.36 0.00 -1.51 0.00 0.00 179.97 178.68 1xsb h ALA 63 N 1.14 0.98 -0.59 2.80 0.00 -0.14 0.45 119.26 123.91 1xsb h ALA 63 Ca 0.19 -0.41 0.03 0.00 0.00 0.00 0.00 54.91 54.72 1xsb h ALA 63 Cb 0.01 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1xsb h ALA 63 CO -0.03 0.61 0.36 1.15 0.00 0.00 0.00 179.25 181.33 1xsb h THR 64 N 0.39 1.07 0.23 0.00 2.02 0.80 0.18 112.91 117.60 1xsb h THR 64 Ca 0.04 -0.24 -0.31 0.00 0.77 0.00 0.00 66.41 66.67 1xsb h THR 64 Cb 0.81 0.30 0.04 0.00 -1.74 0.00 0.00 68.15 67.56 1xsb h THR 64 CO 0.07 0.13 -1.34 -0.61 0.37 0.00 0.00 175.52 174.13 1xsb h GLN 65 N 0.71 0.49 -0.70 6.66 4.15 0.06 0.77 115.11 127.25 1xsb h GLN 65 Ca 0.24 -0.84 -0.04 0.00 0.77 0.00 0.00 58.65 58.77 1xsb h GLN 65 Cb 0.02 0.31 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 1xsb h GLN 65 CO -0.10 1.40 0.28 0.93 -1.93 0.00 0.00 178.83 179.41 1xsb h GLU 66 N 0.03 1.03 -0.17 1.69 5.08 -0.74 3.37 114.58 124.87 1xsb h GLU 66 Ca -0.23 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1xsb h GLU 66 Cb 2.06 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 31.14 1xsb h GLU 66 CO 0.25 0.84 0.00 0.39 -1.00 0.00 0.00 179.01 179.49 1xsb n GLU 67 N -4.30 2.27 0.00 2.33 1.02 0.63 -4.02 120.64 118.57 1xsb n GLU 67 Ca 0.06 -2.01 0.00 0.00 -0.02 0.00 0.00 57.16 55.19 1xsb n GLU 67 Cb 0.18 -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 1.34 0.15 -0.33 0.62 0.00 0.15 -4.05 120.51 118.38 1xsb n ALA 68 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 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 0.04 1.23 3.62 0.00 0.00 1.12 0.47 105.19 111.66 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 -2.92 4.81 0.39 -0.61 1.01 -1.20 -4.76 121.20 117.93 1xsb s ILE 70 Ca 0.00 -0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.68 1xsb s ILE 70 Cb 0.00 -3.18 -0.07 0.00 0.01 0.00 0.00 42.46 39.22 1xsb s ILE 70 CO 0.00 0.44 0.03 -1.83 0.00 0.00 0.00 174.94 173.58 1xsb s GLU 71 N 0.53 1.89 0.41 2.79 -1.05 -1.26 -0.05 118.70 121.96 1xsb s GLU 71 Ca 0.04 -2.08 0.21 0.00 -0.15 0.00 0.00 54.97 52.99 1xsb s GLU 71 Cb -0.13 -1.34 1.18 0.00 -0.44 0.00 0.00 34.13 33.41 1xsb s GLU 71 CO 0.01 -0.15 1.74 0.00 0.95 0.00 0.00 175.26 177.81 1xsb h ALA 72 N 1.83 2.36 0.00 -0.84 0.00 -1.83 3.91 119.26 124.68 1xsb h ALA 72 Ca -0.43 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1xsb h ALA 72 Cb 1.25 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xsb h ALA 72 CO 0.76 -0.81 0.00 0.78 0.00 0.00 0.00 179.25 179.98 1xsb h GLY 73 N 0.32 0.00 0.00 0.00 0.00 -1.98 -2.18 103.07 99.23 1xsb h GLY 73 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.97 1xsb h GLY 73 CO -0.32 0.00 -0.75 -1.06 0.00 0.00 0.00 176.54 174.41 1xsb n GLN 74 N -2.58 2.68 -4.48 4.80 6.02 1.26 -5.00 117.38 120.08 1xsb n GLN 74 Ca -0.00 -0.02 -0.26 0.00 -0.01 0.00 0.00 57.00 56.70 1xsb n GLN 74 Cb 0.15 -1.07 -0.07 0.00 1.02 0.00 0.00 30.24 30.26 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 -1.41 0.00 -3.99 1.08 -0.00 0.71 -0.47 117.00 112.92 1xsb n LEU 75 Ca 0.01 -3.20 -0.30 0.00 -0.00 0.00 0.00 56.01 52.52 1xsb n LEU 75 Cb 0.20 1.01 -0.16 0.00 -0.00 0.00 0.00 43.42 44.47 1xsb n LEU 75 CO 0.22 -0.49 -0.47 -0.89 -0.00 0.00 0.00 177.39 175.77 1xsb s THR 76 N -3.11 1.55 -0.13 1.47 2.01 0.14 -4.68 115.64 112.89 1xsb s THR 76 Ca 0.20 -0.81 -0.28 0.00 0.31 0.00 0.00 61.69 61.11 1xsb s THR 76 Cb 0.01 -1.57 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 1xsb s THR 76 CO 0.14 0.28 0.93 -0.63 -0.69 0.00 0.00 174.62 174.66 1xsb s ILE 77 N 1.46 4.83 0.27 1.82 -1.09 -1.26 -1.23 121.20 126.00 1xsb s ILE 77 Ca 0.02 1.88 -0.23 0.00 -2.23 0.00 0.00 60.65 60.08 1xsb s ILE 77 Cb -0.15 -4.24 -0.09 0.00 -1.58 0.00 0.00 42.46 36.40 1xsb s ILE 77 CO -0.09 0.02 0.84 -0.63 -1.23 0.00 0.00 174.94 173.85 1xsb s ILE 78 N 2.03 4.37 0.12 2.92 1.09 -0.06 -4.99 121.20 126.67 1xsb s ILE 78 Ca 0.44 1.59 0.04 0.00 -1.10 0.00 0.00 60.65 61.62 1xsb s ILE 78 Cb -0.18 -3.95 -0.04 0.00 -1.06 0.00 0.00 42.46 37.23 1xsb s ILE 78 CO 0.16 0.19 0.12 -1.61 -0.10 0.00 0.00 174.94 173.70 1xsb s GLU 79 N -1.98 2.96 0.00 2.79 2.02 -1.26 -4.48 118.70 118.75 1xsb s GLU 79 Ca 0.46 -0.74 0.00 0.00 0.02 0.00 0.00 54.97 54.71 1xsb s GLU 79 Cb -0.18 -2.73 0.00 0.00 0.10 0.00 0.00 34.13 31.32 1xsb s GLU 79 CO 0.23 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.45 1xsb n GLY 80 N 0.06 2.88 3.39 -1.39 0.00 -1.26 -5.05 105.19 103.82 1xsb n GLY 80 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.63 2.96 -0.25 1.61 2.19 -1.26 -5.08 117.98 115.51 1xsb s PHE 81 Ca 0.00 -0.63 -0.14 0.00 0.33 0.00 0.00 56.93 56.49 1xsb s PHE 81 Cb 0.00 -2.01 0.08 0.00 -1.31 0.00 0.00 43.02 39.77 1xsb s PHE 81 CO 0.00 -0.30 0.62 0.21 1.83 0.00 0.00 175.22 177.59 1xsb s LYS 82 N 0.89 0.63 0.17 10.12 2.20 -1.26 -4.58 119.74 127.91 1xsb s LYS 82 Ca -0.01 1.13 -0.20 0.00 -0.36 0.00 0.00 55.97 56.53 1xsb s LYS 82 Cb -0.15 0.11 0.05 0.00 -1.51 0.00 0.00 37.83 36.34 1xsb s LYS 82 CO 0.01 -0.15 0.55 1.03 -0.36 0.00 0.00 175.35 176.43 1xsb s ARG 83 N 1.61 1.31 -0.01 4.03 0.52 -1.25 -5.03 118.95 120.12 1xsb s ARG 83 Ca -0.10 -0.66 0.02 0.00 -0.52 0.00 0.00 55.73 54.47 1xsb s ARG 83 Cb -0.06 0.55 0.00 0.00 0.52 0.00 0.00 34.95 35.96 1xsb s ARG 83 CO -0.18 -0.56 -0.05 -1.83 0.02 0.00 0.00 175.30 172.70 1xsb s GLU 84 N -3.81 0.54 -0.20 3.54 1.03 -1.25 -0.73 118.70 117.84 1xsb s GLU 84 Ca 0.04 -0.17 -0.15 0.00 0.03 0.00 0.00 54.97 54.72 1xsb s GLU 84 Cb -0.01 -0.55 -0.04 0.00 -0.80 0.00 0.00 34.13 32.73 1xsb s GLU 84 CO -0.09 0.06 0.38 -0.51 -1.33 0.00 0.00 175.26 173.77 1xsb s LEU 85 N 0.18 4.17 -0.12 1.83 1.43 0.32 -4.73 118.68 121.75 1xsb s LEU 85 Ca -0.02 0.50 0.01 0.00 -1.03 0.00 0.00 54.13 53.60 1xsb s LEU 85 Cb -0.06 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.70 1xsb s LEU 85 CO -0.00 -0.05 -0.15 0.20 0.23 0.00 0.00 176.35 176.58 1xsb s ASN 86 N 0.96 2.55 -0.08 2.29 0.01 -1.26 0.52 114.94 119.93 1xsb s ASN 86 Ca 0.18 -0.45 -0.30 0.00 -0.71 0.00 0.00 52.86 51.58 1xsb s ASN 86 Cb -0.14 -1.14 0.11 0.00 0.41 0.00 0.00 41.25 40.49 1xsb s ASN 86 CO 0.07 0.00 0.89 -0.72 -1.51 0.00 0.00 177.10 175.84 1xsb s TYR 87 N 1.10 -0.42 -0.40 2.20 -0.85 -1.18 -4.93 117.35 112.87 1xsb s TYR 87 Ca -0.04 0.58 -0.08 0.00 -0.52 0.00 0.00 57.07 57.02 1xsb s TYR 87 Cb -0.14 0.47 0.07 0.00 0.38 0.00 0.00 41.96 42.74 1xsb s TYR 87 CO -0.04 -0.47 0.22 0.54 -1.52 0.00 0.00 175.55 174.28 1xsb s VAL 88 N -1.83 4.05 0.00 -3.49 0.11 -1.26 -2.01 120.40 115.97 1xsb s VAL 88 Ca -0.01 -1.41 0.00 0.00 -2.93 0.00 0.00 61.98 57.62 1xsb s VAL 88 Cb -0.01 -3.47 0.00 0.00 -1.53 0.00 0.00 36.38 31.37 1xsb s VAL 88 CO -0.01 -0.46 0.00 0.00 -3.33 0.00 0.00 175.10 171.30 1xsb n ALA 89 N 4.87 0.00 0.16 1.54 0.00 -1.25 -4.58 120.51 121.24 1xsb n ALA 89 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1xsb n ALA 89 Cb 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.80 1xsb n ALA 89 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1xsb h ARG 90 N 0.00 -0.32 0.00 0.00 0.11 -2.05 -3.43 114.38 108.68 1xsb h ARG 90 Ca 0.00 0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1xsb h ARG 90 Cb 0.00 0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.15 1xsb h ARG 90 CO 0.00 -0.20 0.00 0.27 0.10 0.00 0.00 179.97 180.14 1xsb n ASN 91 N -5.22 0.00 -3.76 0.08 6.94 -1.26 -5.13 115.26 106.91 1xsb n ASN 91 Ca -0.09 -0.16 -0.20 0.00 -0.02 0.00 0.00 54.58 54.11 1xsb n ASN 91 Cb 0.16 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.41 1xsb n ASN 91 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 1xsb s LYS 92 N 0.00 0.33 -0.10 -3.83 2.47 -1.26 -5.07 119.74 112.28 1xsb s LYS 92 Ca 0.00 0.17 -0.30 0.00 -1.56 0.00 0.00 55.97 54.29 1xsb s LYS 92 Cb 0.00 -0.69 -0.02 0.00 -1.46 0.00 0.00 37.83 35.66 1xsb s LYS 92 CO 0.00 -0.26 1.10 -1.25 0.16 0.00 0.00 175.35 175.10 1xsb s PRO 93 N 1.73 4.37 -0.12 4.03 0.04 -1.26 -3.81 135.00 139.98 1xsb s PRO 93 Ca 0.00 1.51 0.03 0.00 0.04 0.00 0.00 61.00 62.58 1xsb s PRO 93 Cb -0.13 -3.57 0.01 0.00 0.04 0.00 0.00 34.50 30.85 1xsb s PRO 93 CO -0.03 -0.41 -0.21 0.21 0.04 0.00 0.00 177.00 176.59 1xsb s LYS 94 N 2.27 2.86 -0.30 4.56 2.20 -0.85 -0.38 119.74 130.10 1xsb s LYS 94 Ca 0.51 -0.80 -0.21 0.00 -0.36 0.00 0.00 55.97 55.11 1xsb s LYS 94 Cb -0.21 -2.28 -0.01 0.00 -1.51 0.00 0.00 37.83 33.82 1xsb s LYS 94 CO 0.18 0.03 0.66 0.99 -0.36 0.00 0.00 175.35 176.85 1xsb s THR 95 N 0.72 4.92 -0.22 3.43 2.01 -0.80 -3.12 115.64 122.57 1xsb s THR 95 Ca -0.10 0.96 -0.05 0.00 0.31 0.00 0.00 61.69 62.81 1xsb s THR 95 Cb -0.16 -4.02 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 1xsb s THR 95 CO 0.01 -0.14 0.00 -0.69 -0.69 0.00 0.00 174.62 173.11 1xsb s VAL 96 N 2.66 3.80 -0.21 3.82 1.01 0.18 -1.85 120.40 129.81 1xsb s VAL 96 Ca 0.27 -0.35 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 1xsb s VAL 96 Cb -0.15 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 1xsb s VAL 96 CO 0.11 0.40 0.27 -0.63 0.00 0.00 0.00 175.10 175.26 1xsb s ILE 97 N 1.35 5.29 -0.11 2.22 -1.09 -1.12 0.12 121.20 127.86 1xsb s ILE 97 Ca 0.04 0.43 0.01 0.00 -2.23 0.00 0.00 60.65 58.91 1xsb s ILE 97 Cb -0.15 -3.61 -0.02 0.00 -1.58 0.00 0.00 42.46 37.11 1xsb s ILE 97 CO 0.00 0.31 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.58 1xsb s TYR 98 N 1.07 2.77 0.01 3.97 2.02 0.10 -2.57 117.35 124.72 1xsb s TYR 98 Ca 0.13 -0.57 0.05 0.00 -0.37 0.00 0.00 57.07 56.32 1xsb s TYR 98 Cb -0.14 -1.79 -0.03 0.00 -0.40 0.00 0.00 41.96 39.60 1xsb s TYR 98 CO 0.05 -0.14 -0.14 -1.58 -1.57 0.00 0.00 175.55 172.17 1xsb s TRP 99 N 0.12 2.67 0.30 2.71 0.51 -1.25 -3.79 118.94 120.21 1xsb s TRP 99 Ca -0.07 -0.18 -0.28 0.00 -2.12 0.00 0.00 56.10 53.45 1xsb s TRP 99 Cb -0.15 -1.53 -0.09 0.00 -0.81 0.00 0.00 33.47 30.88 1xsb s TRP 99 CO 0.05 0.27 1.06 -0.51 -0.51 0.00 0.00 176.95 177.30 1xsb s LEU 100 N -1.29 4.48 0.04 2.99 1.43 -1.26 -1.64 118.68 123.44 1xsb s LEU 100 Ca 0.15 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 1xsb s LEU 100 Cb -0.11 -3.75 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 1xsb s LEU 100 CO 0.05 -0.16 -0.04 0.00 0.23 0.00 0.00 176.35 176.42 1xsb s ALA 101 N -1.28 0.37 -0.14 4.21 0.00 0.28 -0.89 121.76 124.31 1xsb s ALA 101 Ca 0.47 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 1xsb s ALA 101 Cb -0.29 0.16 0.04 0.00 0.00 0.00 0.00 23.12 23.03 1xsb s ALA 101 CO 0.36 -0.18 -0.03 -2.00 0.00 0.00 0.00 175.76 173.90 1xsb s GLU 102 N -2.23 1.18 0.16 0.00 2.12 -0.36 0.36 118.70 119.93 1xsb s GLU 102 Ca -0.07 -0.32 -0.30 0.00 0.36 0.00 0.00 54.97 54.64 1xsb s GLU 102 Cb -0.05 -1.72 -0.07 0.00 0.26 0.00 0.00 34.13 32.55 1xsb s GLU 102 CO -0.03 -0.40 1.18 0.14 -0.54 0.00 0.00 175.26 175.61 1xsb s VAL 103 N 1.75 3.72 0.21 3.70 -7.23 -1.26 0.23 120.40 121.52 1xsb s VAL 103 Ca 0.02 1.40 -0.10 0.00 -1.81 0.00 0.00 61.98 61.49 1xsb s VAL 103 Cb -0.14 -3.90 0.14 0.00 0.56 0.00 0.00 36.38 33.04 1xsb s VAL 103 CO -0.07 0.20 1.86 0.11 -0.31 0.00 0.00 175.10 176.89 1xsb h LYS 104 N 5.54 0.88 -5.65 4.82 1.57 -1.11 -3.42 116.57 119.20 1xsb h LYS 104 Ca -0.44 -0.05 -0.65 0.00 -1.87 0.00 0.00 60.65 57.64 1xsb h LYS 104 Cb 1.21 -0.20 -0.07 0.00 0.08 0.00 0.00 32.23 33.25 1xsb h LYS 104 CO 0.76 0.58 -0.43 0.34 -0.57 0.00 0.00 179.45 180.13 1xsb s ASP 105 N -5.79 6.44 0.17 0.86 3.68 -1.26 -4.98 116.67 115.79 1xsb s ASP 105 Ca -0.13 0.52 -0.09 0.00 2.13 0.00 0.00 52.55 54.98 1xsb s ASP 105 Cb 0.15 -2.11 0.04 0.00 -1.45 0.00 0.00 42.92 39.56 1xsb s ASP 105 CO 0.77 0.36 1.58 0.22 0.13 0.00 0.00 175.17 178.23 1xsb h TYR 106 N 5.20 1.13 -0.49 -5.34 5.03 -2.00 -2.09 116.97 118.41 1xsb h TYR 106 Ca -0.52 -0.25 0.00 0.00 2.58 0.00 0.00 58.73 60.53 1xsb h TYR 106 Cb 1.22 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 39.22 1xsb h TYR 106 CO 0.73 1.08 0.00 -0.40 -1.32 0.00 0.00 178.16 178.24 1xsb n ASP 107 N -4.13 4.50 -3.76 -2.11 3.85 -1.26 -4.99 116.55 108.66 1xsb n ASP 107 Ca 0.01 -2.59 -0.38 0.00 -0.71 0.00 0.00 54.79 51.11 1xsb n ASP 107 Cb 0.43 -0.60 -0.01 0.00 -1.35 0.00 0.00 41.12 39.59 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 1xsb n VAL 108 N 0.67 1.03 -1.87 2.12 3.14 -0.79 -4.78 118.33 117.84 1xsb n VAL 108 Ca 0.22 -0.43 -0.38 0.00 -2.96 0.00 0.00 64.34 60.79 1xsb n VAL 108 Cb 0.91 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.73 1xsb n VAL 108 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1xsb s GLU 109 N -0.87 3.19 -0.25 1.45 -1.05 -1.26 -5.00 118.70 114.91 1xsb s GLU 109 Ca 0.53 2.13 0.02 0.00 -0.15 0.00 0.00 54.97 57.49 1xsb s GLU 109 Cb -0.65 -2.24 0.06 0.00 -0.44 0.00 0.00 34.13 30.86 1xsb s GLU 109 CO 0.52 -1.11 -0.07 0.42 0.95 0.00 0.00 175.26 175.96 1xsb s ILE 110 N -1.36 1.88 -0.39 1.83 -1.09 -1.25 -4.46 121.20 116.35 1xsb s ILE 110 Ca 0.71 -1.49 -0.11 0.00 -2.23 0.00 0.00 60.65 57.53 1xsb s ILE 110 Cb -0.38 -2.08 0.04 0.00 -1.58 0.00 0.00 42.46 38.46 1xsb s ILE 110 CO 0.44 -0.10 0.24 -0.13 -1.23 0.00 0.00 174.94 174.16 1xsb s ARG 111 N 1.22 2.80 0.08 2.79 0.52 1.67 -4.87 118.95 123.17 1xsb s ARG 111 Ca -0.06 -1.18 -0.14 0.00 -0.52 0.00 0.00 55.73 53.83 1xsb s ARG 111 Cb -0.19 -3.79 -0.06 0.00 0.52 0.00 0.00 34.95 31.42 1xsb s ARG 111 CO -0.06 -0.78 0.49 -0.51 0.02 0.00 0.00 175.30 174.45 1xsb s LEU 112 N 1.54 4.40 0.46 2.53 1.43 -1.26 0.31 118.68 128.10 1xsb s LEU 112 Ca 0.02 1.02 0.00 0.00 -1.03 0.00 0.00 54.13 54.14 1xsb s LEU 112 Cb -0.20 -2.98 0.00 0.00 0.03 0.00 0.00 46.19 43.04 1xsb s LEU 112 CO 0.06 0.20 0.68 -0.55 0.23 0.00 0.00 176.35 176.97 1xsb s SER 113 N -1.48 5.78 0.53 2.29 0.15 -1.24 -4.86 113.70 114.87 1xsb s SER 113 Ca 0.32 0.27 0.39 0.00 0.70 0.00 0.00 55.95 57.62 1xsb s SER 113 Cb -0.16 -1.47 1.57 0.00 -1.71 0.00 0.00 66.02 64.24 1xsb s SER 113 CO 0.17 -0.75 1.71 0.45 1.20 0.00 0.00 173.24 176.03 1xsb h HIS 114 N 0.36 0.11 -0.27 3.44 -0.00 -1.98 1.64 115.15 118.45 1xsb h HIS 114 Ca -0.46 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 59.88 1xsb h HIS 114 Cb 1.26 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 28.62 1xsb h HIS 114 CO 0.45 -0.02 0.02 0.93 -0.00 0.00 0.00 177.93 179.31 1xsb h GLU 115 N 0.04 0.40 -6.59 2.45 3.07 -1.95 -3.38 114.58 108.61 1xsb h GLU 115 Ca 0.71 -0.07 -0.69 0.00 -0.50 0.00 0.00 59.36 58.82 1xsb h GLU 115 Cb 2.72 -0.07 -0.29 0.00 -0.84 0.00 0.00 28.75 30.27 1xsb h GLU 115 CO -0.08 0.41 -0.88 -1.01 -1.40 0.00 0.00 179.01 176.05 1xsb s HIS 116 N -5.03 2.29 0.00 4.33 3.76 0.56 0.25 115.29 121.45 1xsb s HIS 116 Ca -0.07 -0.43 0.00 0.00 -0.15 0.00 0.00 55.06 54.42 1xsb s HIS 116 Cb 0.16 -1.44 0.00 0.00 1.11 0.00 0.00 32.58 32.41 1xsb s HIS 116 CO 0.74 0.01 0.00 0.00 -0.85 0.00 0.00 174.74 174.64 1xsb n GLN 117 N 2.26 6.42 -3.62 1.40 10.64 -0.44 -3.66 117.38 130.39 1xsb n GLN 117 Ca -0.16 0.00 -0.14 0.00 -1.83 0.00 0.00 57.00 54.87 1xsb n GLN 117 Cb 0.51 -0.53 -0.06 0.00 -0.86 0.00 0.00 30.24 29.30 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 -1.06 -1.23 0.04 2.61 0.00 -1.24 -4.98 121.76 115.90 1xsb s ALA 118 Ca 0.00 0.60 -0.01 0.00 0.00 0.00 0.00 51.96 52.55 1xsb s ALA 118 Cb 0.00 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1xsb s ALA 118 CO 0.00 -0.43 -0.03 1.52 0.00 0.00 0.00 175.76 176.82 1xsb s TYR 119 N -2.07 0.44 0.02 0.00 1.13 -1.26 0.31 117.35 115.91 1xsb s TYR 119 Ca -0.08 -0.90 -0.01 0.00 -1.41 0.00 0.00 57.07 54.68 1xsb s TYR 119 Cb -0.01 -0.33 -0.02 0.00 -1.10 0.00 0.00 41.96 40.50 1xsb s TYR 119 CO 0.01 -0.33 -0.02 1.03 -2.51 0.00 0.00 175.55 173.73 1xsb s ARG 120 N -3.20 0.33 -0.38 -3.49 0.52 -0.76 -4.97 118.95 107.01 1xsb s ARG 120 Ca 0.00 -0.61 -0.08 0.00 -0.52 0.00 0.00 55.73 54.52 1xsb s ARG 120 Cb 0.03 0.12 0.06 0.00 0.52 0.00 0.00 34.95 35.67 1xsb s ARG 120 CO -0.07 -0.06 0.18 -1.58 0.02 0.00 0.00 175.30 173.79 1xsb s TRP 121 N -1.52 3.30 0.36 -0.53 0.52 -1.26 -2.92 118.94 116.89 1xsb s TRP 121 Ca -0.15 -1.44 0.03 0.00 0.02 0.00 0.00 56.10 54.56 1xsb s TRP 121 Cb -0.09 -2.60 -0.04 0.00 -1.15 0.00 0.00 33.47 29.58 1xsb s TRP 121 CO -0.01 -0.77 0.09 -0.51 0.02 0.00 0.00 176.95 175.77 1xsb s LEU 122 N 1.42 2.03 0.00 2.99 1.02 -1.24 -4.92 118.68 119.98 1xsb s LEU 122 Ca 0.01 -1.52 -0.07 0.00 0.02 0.00 0.00 54.13 52.57 1xsb s LEU 122 Cb -0.21 -0.22 0.11 0.00 0.02 0.00 0.00 46.19 45.89 1xsb s LEU 122 CO 0.03 -0.78 0.66 0.61 0.02 0.00 0.00 176.35 176.89 1xsb n GLY 123 N -0.78 -0.83 0.36 -3.19 0.00 -1.26 -1.49 105.19 98.00 1xsb n GLY 123 Ca -0.04 -1.77 -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 1.04 0.48 0.99 5.85 -1.95 0.36 115.31 122.07 1xsb h LEU 124 Ca -0.22 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1xsb h LEU 124 Cb 0.63 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1xsb h LEU 124 CO 0.17 0.79 -0.23 1.05 -0.34 0.00 0.00 178.44 179.88 1xsb h GLU 125 N 1.20 -0.62 -0.13 1.25 4.11 -1.96 0.27 114.58 118.70 1xsb h GLU 125 Ca 0.32 0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.73 1xsb h GLU 125 Cb -0.07 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1xsb h GLU 125 CO -0.06 -0.39 -0.16 0.93 0.07 0.00 0.00 179.01 179.40 1xsb h GLU 126 N -0.67 0.34 -0.86 1.06 3.07 -1.89 0.42 114.58 116.06 1xsb h GLU 126 Ca -0.07 -0.19 0.21 0.00 -0.50 0.00 0.00 59.36 58.82 1xsb h GLU 126 Cb 0.51 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.38 1xsb h GLU 126 CO 0.11 0.75 0.59 0.00 -1.40 0.00 0.00 179.01 179.06 1xsb h ALA 127 N 0.59 2.43 0.19 3.43 0.00 -0.25 0.55 119.26 126.19 1xsb h ALA 127 Ca 0.02 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.62 1xsb h ALA 127 Cb 0.70 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.52 1xsb h ALA 127 CO 0.04 -0.69 -1.36 0.00 0.00 0.00 0.00 179.25 177.24 1xsb h GLN 129 N 0.14 0.30 -0.42 0.00 -0.00 0.45 -2.81 115.11 112.77 1xsb h GLN 129 Ca -0.20 -0.06 -0.10 0.00 -0.00 0.00 0.00 58.65 58.29 1xsb h GLN 129 Cb 2.06 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 29.48 1xsb h GLN 129 CO 0.24 0.39 -0.11 -0.07 -0.00 0.00 0.00 178.83 179.28 1xsb h LEU 130 N 0.16 0.82 -3.51 0.06 3.38 -0.52 -2.62 115.31 113.08 1xsb h LEU 130 Ca 0.07 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.57 1xsb h LEU 130 Cb 0.21 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 1xsb h LEU 130 CO -0.00 1.00 -0.20 0.00 0.09 0.00 0.00 178.44 179.33 1xsb n ALA 131 N -2.46 5.20 -0.60 1.53 0.00 -0.65 -4.14 120.51 119.39 1xsb n ALA 131 Ca -0.01 -0.93 0.46 0.00 0.00 0.00 0.00 53.44 52.96 1xsb n ALA 131 Cb 0.37 -1.67 0.71 0.00 0.00 0.00 0.00 19.45 18.86 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 2.01 -0.00 -1.68 0.00 10.64 -0.99 -3.89 117.38 123.47 1xsb n GLN 132 Ca 0.22 0.97 -0.52 0.00 -1.83 0.00 0.00 57.00 55.84 1xsb n GLN 132 Cb 0.71 -2.19 -0.06 0.00 -0.86 0.00 0.00 30.24 27.84 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 -3.78 2.11 -0.34 2.61 3.72 -1.26 -4.80 117.46 115.72 1xsb n PHE 133 Ca 0.39 0.32 0.08 0.00 -0.05 0.00 0.00 57.45 58.19 1xsb n PHE 133 Cb 1.73 -2.53 0.25 0.00 -0.94 0.00 0.00 39.48 37.99 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 7.45 0.82 -0.60 -1.08 3.64 -1.97 -1.87 116.57 122.96 1xsb h LYS 134 Ca -0.47 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 58.85 1xsb h LYS 134 Cb 1.30 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 1xsb h LYS 134 CO 0.92 0.54 0.33 0.93 -2.27 0.00 0.00 179.45 179.90 1xsb h GLU 135 N 0.84 0.85 -0.27 1.90 3.07 -1.89 -2.49 114.58 116.60 1xsb h GLU 135 Ca 0.50 -0.10 -0.16 0.00 -0.50 0.00 0.00 59.36 59.10 1xsb h GLU 135 Cb 0.62 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 28.36 1xsb h GLU 135 CO -0.31 0.65 -0.46 0.52 -1.40 0.00 0.00 179.01 178.00 1xsb h MET 136 N 0.82 0.70 -0.89 2.33 2.86 -1.62 -0.23 114.93 118.91 1xsb h MET 136 Ca 0.21 -0.39 0.08 0.00 -2.06 0.00 0.00 59.70 57.54 1xsb h MET 136 Cb 0.06 0.03 -0.07 0.00 0.06 0.00 0.00 31.60 31.67 1xsb h MET 136 CO -0.03 1.01 0.54 0.87 1.06 0.00 0.00 176.91 180.36 1xsb h LYS 137 N 0.56 0.92 -0.13 1.72 6.56 -1.13 0.56 116.57 125.63 1xsb h LYS 137 Ca 0.03 -0.06 -0.06 0.00 -1.06 0.00 0.00 60.65 59.51 1xsb h LYS 137 Cb 1.02 -0.21 -0.00 0.00 -0.57 0.00 0.00 32.23 32.47 1xsb h LYS 137 CO 0.10 0.61 -0.16 0.00 -2.06 0.00 0.00 179.45 177.94 1xsb h ALA 138 N 1.44 0.19 -0.55 3.86 0.00 -1.18 0.71 119.26 123.74 1xsb h ALA 138 Ca 0.40 -0.34 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1xsb h ALA 138 Cb 0.27 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1xsb h ALA 138 CO -0.21 0.09 0.24 0.00 0.00 0.00 0.00 179.25 179.37 1xsb h ALA 139 N 0.58 0.70 -0.10 0.00 0.00 -0.12 3.38 119.26 123.69 1xsb h ALA 139 Ca 0.02 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1xsb h ALA 139 Cb 0.71 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1xsb h ALA 139 CO 0.04 -0.14 -0.43 -0.07 0.00 0.00 0.00 179.25 178.65 1xsb h LEU 140 N 0.45 0.25 0.04 0.00 3.38 0.17 -0.46 115.31 119.14 1xsb h LEU 140 Ca 0.26 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xsb h LEU 140 Cb 0.24 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1xsb h LEU 140 CO -0.22 0.65 -0.02 1.56 0.09 0.00 0.00 178.44 180.50 1xsb h GLN 141 N 0.20 -0.05 -0.43 1.13 1.08 0.37 -2.92 115.11 114.49 1xsb h GLN 141 Ca 0.02 0.00 -0.07 0.00 -1.45 0.00 0.00 58.65 57.15 1xsb h GLN 141 Cb 0.85 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.27 1xsb h GLN 141 CO 0.07 0.60 -0.04 0.93 -0.95 0.00 0.00 178.83 179.43 1xsb h GLU 142 N -0.88 0.71 -0.21 1.46 5.08 0.61 -0.17 114.58 121.17 1xsb h GLU 142 Ca -0.01 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1xsb h GLU 142 Cb 0.68 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1xsb h GLU 142 CO 0.01 0.75 0.14 0.78 -1.00 0.00 0.00 179.01 179.69 1xsb h GLY 143 N 0.96 0.30 0.98 -3.84 0.00 -1.18 -0.79 103.07 99.49 1xsb h GLY 143 Ca 0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.31 1xsb h GLY 143 CO 0.02 0.11 0.17 0.84 0.00 0.00 0.00 176.54 177.68 1xsb h HIS 144 N 0.29 0.84 -0.69 5.60 -0.00 -1.28 -1.45 115.15 118.45 1xsb h HIS 144 Ca 0.08 -0.08 0.08 0.00 -0.00 0.00 0.00 60.37 60.45 1xsb h HIS 144 Cb -0.03 -0.24 -0.07 0.00 -0.00 0.00 0.00 27.41 27.07 1xsb h HIS 144 CO -0.06 0.72 0.36 0.37 -0.00 0.00 0.00 177.93 179.31 1xsb h GLN 145 N 0.72 0.61 -0.09 5.26 5.75 -0.51 -1.42 115.11 125.43 1xsb h GLN 145 Ca 0.17 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.58 1xsb h GLN 145 Cb 0.27 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 28.68 1xsb h GLN 145 CO -0.01 0.40 -0.14 0.35 -2.65 0.00 0.00 178.83 176.78 1xsb h PHE 146 N 0.63 0.31 -0.83 3.99 3.04 -0.90 -3.07 116.94 120.11 1xsb h PHE 146 Ca 0.33 -0.11 0.12 0.00 3.98 0.00 0.00 57.97 62.29 1xsb h PHE 146 Cb 0.31 -0.06 -0.06 0.00 2.56 0.00 0.00 35.95 38.70 1xsb h PHE 146 CO -0.10 0.74 0.54 -0.07 -2.02 0.00 0.00 178.31 177.40 1xsb h LEU 147 N -0.20 0.64 -0.06 0.59 3.38 -0.93 0.82 115.31 119.55 1xsb h LEU 147 Ca 0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xsb h LEU 147 Cb 0.71 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1xsb h LEU 147 CO 0.03 0.36 0.00 0.00 0.09 0.00 0.00 178.44 178.92 1xsb n SER 149 N -1.58 0.64 0.00 0.00 7.64 0.28 -4.83 113.62 115.76 1xsb n SER 149 Ca 0.04 -0.07 0.00 0.00 1.01 0.00 0.00 58.87 59.85 1xsb n SER 149 Cb 0.22 0.42 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 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 -1.95 0.00 0.00 0.44 5.41 -0.98 -5.09 119.36 117.19 1xsb n ILE 150 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1xsb n ILE 150 Cb 0.42 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.35 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 -3.64 0.38 2.13 -1.26 -5.12 120.64 113.12 1xsb n GLU 151 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 1xsb n GLU 151 Cb 0.00 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 31.65 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xsb s ALA 152 N -1.39 -2.15 0.00 4.31 0.00 -1.26 -5.11 121.76 116.16 1xsb s ALA 152 Ca 0.00 1.75 0.00 0.00 0.00 0.00 0.00 51.96 53.71 1xsb s ALA 152 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.51 1xsb s ALA 152 CO 0.00 -0.17 0.00 -0.11 0.00 0.00 0.00 175.76 175.48