#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 2.87 0.00 1.61 0.04 -1.26 -4.72 135.00 133.54 1xsb s PRO 2 Ca 0.00 -1.36 0.29 0.00 0.04 0.00 0.00 61.00 59.97 1xsb s PRO 2 Cb 0.00 -5.31 1.26 0.00 0.04 0.00 0.00 34.50 30.49 1xsb s PRO 2 CO 0.00 -3.54 1.89 1.28 0.04 0.00 0.00 177.00 176.68 1xsb n LEU 3 N 12.87 0.25 -4.77 -3.56 4.77 -1.26 -4.86 117.00 120.44 1xsb n LEU 3 Ca 0.46 0.17 -0.36 0.00 -0.03 0.00 0.00 56.01 56.25 1xsb n LEU 3 Cb 0.46 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1xsb n LEU 3 CO 0.70 0.05 0.81 -0.83 -1.33 0.00 0.00 177.39 176.78 1xsb s GLY 4 N -2.63 2.70 0.65 -0.72 0.00 -1.26 -4.99 107.32 101.07 1xsb s GLY 4 Ca 0.25 0.89 -0.16 0.00 0.00 0.00 0.00 44.72 45.70 1xsb s GLY 4 CO 0.50 1.28 1.14 -0.56 0.00 0.00 0.00 173.10 175.46 1xsb s SER 5 N -1.60 5.01 -1.07 1.64 0.01 -1.26 -4.94 113.70 111.49 1xsb s SER 5 Ca 0.70 2.12 -0.03 0.00 1.31 0.00 0.00 55.95 60.05 1xsb s SER 5 Cb -0.26 -2.57 0.31 0.00 0.21 0.00 0.00 66.02 63.71 1xsb s SER 5 CO 0.30 -1.70 1.64 1.15 0.41 0.00 0.00 173.24 175.04 1xsb n MET 6 N -2.28 4.85 -1.02 12.44 0.00 -1.26 -5.01 117.12 124.85 1xsb n MET 6 Ca 0.11 -4.57 0.10 0.00 0.00 0.00 0.00 57.70 53.34 1xsb n MET 6 Cb 0.51 -2.50 -0.04 0.00 0.00 0.00 0.00 33.22 31.19 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 0.83 -2.88 -2.83 3.17 0.00 -1.26 -4.79 120.51 112.74 1xsb n ALA 7 Ca 0.35 0.41 -0.36 0.00 0.00 0.00 0.00 53.44 53.83 1xsb n ALA 7 Cb 0.30 -1.04 -0.07 0.00 0.00 0.00 0.00 19.45 18.65 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 -5.50 4.21 0.08 0.00 1.02 0.58 -4.98 118.68 114.09 1xsb s LEU 8 Ca 0.00 0.39 -0.22 0.00 0.02 0.00 0.00 54.13 54.32 1xsb s LEU 8 Cb 0.00 -2.02 -0.07 0.00 0.02 0.00 0.00 46.19 44.13 1xsb s LEU 8 CO 0.00 0.39 0.65 -0.60 0.02 0.00 0.00 176.35 176.81 1xsb s ARG 9 N -0.95 4.35 0.10 1.70 3.52 -1.26 -1.35 118.95 125.07 1xsb s ARG 9 Ca 0.14 0.89 -0.12 0.00 -0.13 0.00 0.00 55.73 56.51 1xsb s ARG 9 Cb -0.12 -3.28 0.01 0.00 -1.56 0.00 0.00 34.95 30.01 1xsb s ARG 9 CO 0.03 0.54 0.28 0.00 -0.81 0.00 0.00 175.30 175.34 1xsb s ALA 10 N -0.85 -0.53 -0.18 6.12 0.00 -0.35 -3.90 121.76 122.06 1xsb s ALA 10 Ca 0.32 -0.37 -0.07 0.00 0.00 0.00 0.00 51.96 51.84 1xsb s ALA 10 Cb -0.20 0.57 0.08 0.00 0.00 0.00 0.00 23.12 23.57 1xsb s ALA 10 CO 0.21 -0.56 0.39 0.00 0.00 0.00 0.00 175.76 175.80 1xsb s GLY 12 N 2.33 3.01 -0.16 0.00 0.00 -1.08 -2.70 107.32 108.71 1xsb s GLY 12 Ca -0.03 -0.33 0.00 0.00 0.00 0.00 0.00 44.72 44.37 1xsb s GLY 12 CO -0.12 -2.19 -0.12 1.08 0.00 0.00 0.00 173.10 171.75 1xsb s LEU 13 N -3.92 1.77 -0.73 0.66 1.43 -1.10 -4.06 118.68 112.73 1xsb s LEU 13 Ca 0.06 -0.57 -0.24 0.00 -1.03 0.00 0.00 54.13 52.35 1xsb s LEU 13 Cb 0.01 -1.14 0.06 0.00 0.03 0.00 0.00 46.19 45.14 1xsb s LEU 13 CO 0.03 -0.09 1.11 -0.63 0.23 0.00 0.00 176.35 177.00 1xsb s ILE 14 N 1.50 4.14 0.13 -0.59 1.01 -0.72 -4.33 121.20 122.34 1xsb s ILE 14 Ca 0.03 -0.24 -0.17 0.00 0.00 0.00 0.00 60.65 60.28 1xsb s ILE 14 Cb -0.14 -4.79 -0.07 0.00 0.01 0.00 0.00 42.46 37.47 1xsb s ILE 14 CO -0.10 -1.62 0.58 -0.63 0.00 0.00 0.00 174.94 173.17 1xsb s ILE 15 N 4.55 4.78 -0.05 2.92 1.01 -1.26 0.10 121.20 133.25 1xsb s ILE 15 Ca 0.29 1.01 -0.02 0.00 0.00 0.00 0.00 60.65 61.92 1xsb s ILE 15 Cb -0.12 -3.80 0.03 0.00 0.01 0.00 0.00 42.46 38.58 1xsb s ILE 15 CO 0.09 0.34 0.08 0.72 0.00 0.00 0.00 174.94 176.17 1xsb s PHE 16 N -1.36 -0.02 -0.30 3.97 -0.71 1.00 -1.85 117.98 118.71 1xsb s PHE 16 Ca 0.36 0.34 -0.26 0.00 -1.04 0.00 0.00 56.93 56.32 1xsb s PHE 16 Cb -0.17 -0.37 0.01 0.00 -1.21 0.00 0.00 43.02 41.29 1xsb s PHE 16 CO 0.19 -0.19 0.92 1.03 -1.34 0.00 0.00 175.22 175.83 1xsb s ARG 17 N 1.97 4.04 -0.07 1.99 0.52 0.90 -4.09 118.95 124.21 1xsb s ARG 17 Ca 0.02 0.86 -0.10 0.00 -0.52 0.00 0.00 55.73 55.99 1xsb s ARG 17 Cb -0.12 -3.72 -0.05 0.00 0.52 0.00 0.00 34.95 31.58 1xsb s ARG 17 CO -0.04 -0.76 0.24 0.50 0.02 0.00 0.00 175.30 175.27 1xsb s ARG 18 N 3.25 3.61 0.02 3.54 3.52 -1.26 -2.52 118.95 129.11 1xsb s ARG 18 Ca 0.39 0.06 -0.01 0.00 -0.13 0.00 0.00 55.73 56.03 1xsb s ARG 18 Cb -0.13 -3.19 -0.04 0.00 -1.56 0.00 0.00 34.95 30.02 1xsb s ARG 18 CO 0.13 0.74 0.18 0.00 -0.81 0.00 0.00 175.30 175.54 1xsb h LEU 20 N 3.52 0.63 -7.94 0.00 5.85 -1.98 -3.42 115.31 111.96 1xsb h LEU 20 Ca -0.47 0.07 -0.15 0.00 0.84 0.00 0.00 57.88 58.17 1xsb h LEU 20 Cb 1.17 -0.04 -0.19 0.00 0.37 0.00 0.00 40.66 41.97 1xsb h LEU 20 CO 0.71 0.30 -0.61 0.27 -0.34 0.00 0.00 178.44 178.77 1xsb s ILE 21 N -5.98 0.12 0.63 4.05 -5.25 -1.26 -5.15 121.20 108.36 1xsb s ILE 21 Ca -0.12 -1.02 -0.16 0.00 -0.99 0.00 0.00 60.65 58.36 1xsb s ILE 21 Cb 0.21 -0.60 -0.02 0.00 2.95 0.00 0.00 42.46 45.00 1xsb s ILE 21 CO 0.78 -0.56 1.11 -2.84 -1.79 0.00 0.00 174.94 171.65 1xsb s PRO 22 N -2.02 2.96 0.00 0.37 0.02 -1.26 -5.03 135.00 130.04 1xsb s PRO 22 Ca -0.10 1.43 0.00 0.00 0.02 0.00 0.00 61.00 62.34 1xsb s PRO 22 Cb -0.05 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.50 1xsb s PRO 22 CO -0.02 -1.13 0.00 1.63 -0.33 0.00 0.00 177.00 177.15 1xsb n LYS 23 N -2.14 0.00 -0.18 5.54 4.01 -1.26 -4.60 118.16 119.54 1xsb n LYS 23 Ca 0.10 0.00 0.06 0.00 -0.51 0.00 0.00 58.31 57.97 1xsb n LYS 23 Cb 0.52 -0.33 0.18 0.00 -0.51 0.00 0.00 35.03 34.89 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1xsb n VAL 24 N -2.17 0.46 -3.57 -0.18 0.31 -1.26 -4.90 118.33 107.03 1xsb n VAL 24 Ca 0.00 -0.48 -0.21 0.00 -0.01 0.00 0.00 64.34 63.64 1xsb n VAL 24 Cb 0.00 0.26 0.07 0.00 -0.91 0.00 0.00 33.84 33.26 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 0.55 -3.88 0.20 4.52 8.00 -1.26 -4.79 116.55 119.89 1xsb n ASP 25 Ca 0.13 -0.62 0.00 0.00 0.71 0.00 0.00 54.79 55.00 1xsb n ASP 25 Cb 0.31 -4.87 0.00 0.00 -0.02 0.00 0.00 41.12 36.54 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 -3.05 -2.78 -2.44 -2.24 5.15 -1.26 -4.93 115.26 103.71 1xsb n ASN 26 Ca -0.15 0.75 -0.31 0.00 -0.60 0.00 0.00 54.58 54.27 1xsb n ASN 26 Cb 0.62 2.67 0.03 0.00 -0.53 0.00 0.00 39.78 42.56 1xsb n ASN 26 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1xsb n ASN 27 N -3.43 7.15 -0.25 1.20 5.03 -1.26 -4.63 115.26 119.07 1xsb n ASN 27 Ca 0.00 -3.53 -0.02 0.00 0.87 0.00 0.00 54.58 51.90 1xsb n ASN 27 Cb 0.00 -1.08 0.17 0.00 -1.02 0.00 0.00 39.78 37.86 1xsb n ASN 27 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xsb h ALA 28 N 2.40 1.31 -3.74 5.41 0.00 -1.95 -3.42 119.26 119.27 1xsb h ALA 28 Ca 0.49 -0.11 -0.68 0.00 0.00 0.00 0.00 54.91 54.61 1xsb h ALA 28 Cb 0.59 -0.32 -0.21 0.00 0.00 0.00 0.00 17.79 17.85 1xsb h ALA 28 CO 1.23 0.58 -0.72 0.42 0.00 0.00 0.00 179.25 180.75 1xsb s ILE 29 N -5.75 3.44 0.21 0.00 1.01 -1.26 -3.60 121.20 115.25 1xsb s ILE 29 Ca -0.11 -0.57 0.10 0.00 0.00 0.00 0.00 60.65 60.07 1xsb s ILE 29 Cb 0.17 -2.40 -0.05 0.00 0.01 0.00 0.00 42.46 40.20 1xsb s ILE 29 CO 0.80 0.58 -0.20 -1.61 0.00 0.00 0.00 174.94 174.52 1xsb s GLU 30 N -0.61 1.47 0.16 2.79 2.02 -1.05 -3.98 118.70 119.50 1xsb s GLU 30 Ca 0.09 -1.58 0.11 0.00 0.02 0.00 0.00 54.97 53.61 1xsb s GLU 30 Cb -0.11 -1.56 -0.04 0.00 0.10 0.00 0.00 34.13 32.52 1xsb s GLU 30 CO 0.02 0.31 -0.22 -0.06 0.02 0.00 0.00 175.26 175.32 1xsb s PHE 31 N -2.25 2.38 -0.04 1.61 0.08 -0.63 -0.07 117.98 119.06 1xsb s PHE 31 Ca 0.22 -0.33 -0.29 0.00 0.12 0.00 0.00 56.93 56.65 1xsb s PHE 31 Cb -0.05 -1.23 -0.02 0.00 -0.57 0.00 0.00 43.02 41.14 1xsb s PHE 31 CO 0.10 0.43 0.96 -1.17 -0.10 0.00 0.00 175.22 175.44 1xsb s LEU 32 N -2.39 4.32 -0.02 -0.37 2.96 -0.77 -3.81 118.68 118.60 1xsb s LEU 32 Ca 0.18 1.56 0.04 0.00 -0.22 0.00 0.00 54.13 55.69 1xsb s LEU 32 Cb -0.09 -3.51 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 1xsb s LEU 32 CO 0.09 -0.31 -0.12 -0.76 -1.32 0.00 0.00 176.35 173.93 1xsb s LEU 33 N 1.34 1.95 -0.06 -0.68 1.43 -1.15 -4.54 118.68 116.96 1xsb s LEU 33 Ca 0.49 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.38 1xsb s LEU 33 Cb -0.20 -0.65 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 1xsb s LEU 33 CO 0.24 0.13 -0.08 -0.76 0.23 0.00 0.00 176.35 176.10 1xsb s LEU 34 N -0.13 3.09 -0.17 1.79 1.43 -0.99 -1.92 118.68 121.78 1xsb s LEU 34 Ca 0.02 -0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 52.91 1xsb s LEU 34 Cb -0.06 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 1xsb s LEU 34 CO 0.00 0.36 0.38 -1.58 0.23 0.00 0.00 176.35 175.74 1xsb s GLN 35 N -0.82 4.23 0.21 1.70 0.74 1.23 -2.06 119.66 124.89 1xsb s GLN 35 Ca 0.12 0.21 -0.30 0.00 0.05 0.00 0.00 55.36 55.45 1xsb s GLN 35 Cb -0.11 -3.49 -0.08 0.00 1.10 0.00 0.00 33.01 30.43 1xsb s GLN 35 CO 0.01 0.08 1.12 0.00 -0.55 0.00 0.00 175.29 175.95 1xsb s ALA 36 N 0.94 3.39 -1.56 1.58 0.00 -1.13 0.43 121.76 125.41 1xsb s ALA 36 Ca 0.19 0.86 0.30 0.00 0.00 0.00 0.00 51.96 53.31 1xsb s ALA 36 Cb -0.14 -3.36 1.43 0.00 0.00 0.00 0.00 23.12 21.05 1xsb s ALA 36 CO 0.07 -0.22 1.99 -1.13 0.00 0.00 0.00 175.76 176.47 1xsb n SER 37 N 2.05 0.20 -4.36 0.00 3.41 -1.06 -4.45 113.62 109.41 1xsb n SER 37 Ca 0.02 -0.39 -0.18 0.00 -0.26 0.00 0.00 58.87 58.06 1xsb n SER 37 Cb 0.45 -0.17 -0.10 0.00 -0.26 0.00 0.00 64.21 64.13 1xsb n SER 37 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1xsb s ASP 38 N -2.49 1.65 0.05 4.04 -0.00 -1.26 -4.96 116.67 113.70 1xsb s ASP 38 Ca 0.30 -1.36 0.00 0.00 -0.00 0.00 0.00 52.55 51.49 1xsb s ASP 38 Cb 0.20 0.06 0.00 0.00 -0.00 0.00 0.00 42.92 43.19 1xsb s ASP 38 CO 0.46 -0.66 0.00 0.61 -0.00 0.00 0.00 175.17 175.58 1xsb n GLY 39 N -0.53 -1.39 0.00 0.21 0.00 -1.26 -3.32 105.19 98.91 1xsb n GLY 39 Ca -0.01 -1.29 0.02 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 -2.96 -0.61 -5.35 -1.26 -4.78 119.36 104.40 1xsb n ILE 40 Ca 0.00 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.31 1xsb n ILE 40 Cb 0.00 -0.35 0.04 0.00 -1.74 0.00 0.00 39.64 37.59 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 -0.60 -1.66 -1.76 4.28 8.25 -1.21 -4.98 115.22 117.54 1xsb n HIS 41 Ca 0.03 0.50 -0.32 0.00 -0.26 0.00 0.00 57.72 57.66 1xsb n HIS 41 Cb 0.01 -3.73 0.04 0.00 1.12 0.00 0.00 29.99 27.43 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 -3.08 2.77 -0.15 4.41 -3.43 -1.26 -4.54 115.29 110.01 1xsb s HIS 42 Ca 0.29 1.53 -0.07 0.00 -0.80 0.00 0.00 55.06 56.01 1xsb s HIS 42 Cb -0.13 -3.08 -0.04 0.00 -1.43 0.00 0.00 32.58 27.90 1xsb s HIS 42 CO 0.35 -1.49 0.09 -1.58 -2.00 0.00 0.00 174.74 170.11 1xsb s TRP 43 N -2.51 3.37 0.02 0.38 0.52 -1.24 -2.82 118.94 116.66 1xsb s TRP 43 Ca 0.64 0.28 -0.12 0.00 0.02 0.00 0.00 56.10 56.93 1xsb s TRP 43 Cb -0.18 -2.00 0.01 0.00 -1.15 0.00 0.00 33.47 30.15 1xsb s TRP 43 CO 0.43 0.42 0.24 0.95 0.02 0.00 0.00 176.95 179.01 1xsb s THR 44 N -0.29 0.08 0.78 2.01 -4.23 -0.87 -4.37 115.64 108.75 1xsb s THR 44 Ca 0.09 -0.68 -0.11 0.00 -1.18 0.00 0.00 61.69 59.81 1xsb s THR 44 Cb -0.12 -0.74 0.06 0.00 1.34 0.00 0.00 72.50 73.05 1xsb s THR 44 CO 0.01 -0.38 1.10 -2.16 -0.54 0.00 0.00 174.62 172.66 1xsb s PRO 45 N -1.97 2.13 -0.89 3.99 0.04 -1.26 -2.34 135.00 134.70 1xsb s PRO 45 Ca -0.09 1.26 -0.27 0.00 0.04 0.00 0.00 61.00 61.94 1xsb s PRO 45 Cb -0.03 -1.88 -0.20 0.00 0.04 0.00 0.00 34.50 32.43 1xsb s PRO 45 CO -0.00 -1.75 2.56 -2.30 0.04 0.00 0.00 177.00 175.54 1xsb n PRO 46 N -3.49 0.24 -3.91 0.56 -0.02 -1.26 -4.77 135.00 122.34 1xsb n PRO 46 Ca 0.10 -0.04 -0.37 0.00 -2.02 0.00 0.00 63.50 61.17 1xsb n PRO 46 Cb 0.53 -1.93 -0.06 0.00 -0.02 0.00 0.00 33.50 32.02 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 8.60 3.42 0.30 -0.52 1.02 -1.26 -2.70 119.74 128.59 1xsb s LYS 47 Ca 1.26 -0.15 -0.03 0.00 0.02 0.00 0.00 55.97 57.07 1xsb s LYS 47 Cb -0.94 -3.17 -0.01 0.00 -0.52 0.00 0.00 37.83 33.20 1xsb s LYS 47 CO 0.44 0.77 0.40 0.20 -0.92 0.00 0.00 175.35 176.24 1xsb s GLY 48 N -1.05 1.36 -0.11 -3.33 0.00 -1.10 -4.97 107.32 98.12 1xsb s GLY 48 Ca 0.15 -1.47 -0.01 0.00 0.00 0.00 0.00 44.72 43.39 1xsb s GLY 48 CO 0.04 -1.03 -0.06 0.30 0.00 0.00 0.00 173.10 172.35 1xsb s HIS 49 N -3.48 2.97 0.18 1.90 0.09 -1.26 -1.69 115.29 114.01 1xsb s HIS 49 Ca 0.31 -0.16 -0.30 0.00 -0.00 0.00 0.00 55.06 54.91 1xsb s HIS 49 Cb 0.01 -1.83 -0.08 0.00 -0.00 0.00 0.00 32.58 30.69 1xsb s HIS 49 CO 0.17 0.14 1.06 0.54 -0.00 0.00 0.00 174.74 176.65 1xsb s VAL 50 N -0.23 3.97 1.05 -0.90 0.11 -1.25 -4.91 120.40 118.24 1xsb s VAL 50 Ca 0.03 1.74 -0.18 0.00 -2.93 0.00 0.00 61.98 60.64 1xsb s VAL 50 Cb -0.13 -4.11 0.26 0.00 -1.53 0.00 0.00 36.38 30.87 1xsb s VAL 50 CO 0.03 0.32 1.05 -0.62 -3.33 0.00 0.00 175.10 172.54 1xsb n GLU 51 N 2.25 -2.46 0.00 1.54 4.71 -1.26 -4.92 120.64 120.50 1xsb n GLU 51 Ca 0.02 -1.67 0.00 0.00 -0.01 0.00 0.00 57.16 55.50 1xsb n GLU 51 Cb 0.47 -1.42 0.00 0.00 -1.01 0.00 0.00 31.44 29.48 1xsb n GLU 51 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1xsb n PRO 52 N -4.27 0.00 0.00 3.49 -0.02 -1.26 -2.66 135.00 130.29 1xsb n PRO 52 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1xsb n PRO 52 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 1xsb n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xsb n GLY 53 N 0.00 0.86 3.79 -1.23 0.00 -1.26 -4.80 105.19 102.56 1xsb n GLY 53 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 0.04 3.48 0.77 1.61 2.12 -1.09 -5.01 118.70 120.62 1xsb s GLU 54 Ca 0.00 1.33 -0.11 0.00 0.36 0.00 0.00 54.97 56.56 1xsb s GLU 54 Cb 0.00 -2.05 0.05 0.00 0.26 0.00 0.00 34.13 32.40 1xsb s GLU 54 CO 0.00 -0.70 1.08 0.34 -0.54 0.00 0.00 175.26 175.45 1xsb s ASP 55 N -2.32 4.65 -0.03 -1.70 2.15 -1.26 -4.76 116.67 113.40 1xsb s ASP 55 Ca 0.67 1.57 -0.03 0.00 0.43 0.00 0.00 52.55 55.19 1xsb s ASP 55 Cb -0.18 -2.34 -0.02 0.00 -0.30 0.00 0.00 42.92 40.09 1xsb s ASP 55 CO 0.29 -1.91 0.21 0.44 -0.17 0.00 0.00 175.17 174.04 1xsb h ASP 56 N -1.04 -0.09 -0.69 -0.34 3.45 -1.97 -3.03 116.42 112.71 1xsb h ASP 56 Ca -0.45 0.00 0.08 0.00 0.43 0.00 0.00 57.03 57.09 1xsb h ASP 56 Cb 1.24 0.02 -0.06 0.00 -0.56 0.00 0.00 39.33 39.97 1xsb h ASP 56 CO 0.56 0.12 0.36 0.25 -1.57 0.00 0.00 179.24 178.96 1xsb h LEU 57 N -0.47 0.50 -0.93 1.55 5.85 -1.97 -0.96 115.31 118.87 1xsb h LEU 57 Ca -0.01 0.05 0.14 0.00 0.84 0.00 0.00 57.88 58.90 1xsb h LEU 57 Cb 0.08 -0.04 -0.09 0.00 0.37 0.00 0.00 40.66 40.98 1xsb h LEU 57 CO 0.02 0.30 0.54 -0.33 -0.34 0.00 0.00 178.44 178.63 1xsb h GLU 58 N 0.63 0.77 -0.91 1.25 3.07 -1.97 0.49 114.58 117.92 1xsb h GLU 58 Ca 0.33 -0.05 0.09 0.00 -0.50 0.00 0.00 59.36 59.23 1xsb h GLU 58 Cb 0.29 -0.17 -0.07 0.00 -0.84 0.00 0.00 28.75 27.95 1xsb h GLU 58 CO -0.23 0.51 0.55 1.15 -1.40 0.00 0.00 179.01 179.59 1xsb h THR 59 N 0.80 0.97 -0.04 1.13 2.02 -1.04 0.79 112.91 117.53 1xsb h THR 59 Ca 0.49 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1xsb h THR 59 Cb 0.61 -0.06 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1xsb h THR 59 CO -0.32 0.17 -0.02 0.00 0.37 0.00 0.00 175.52 175.72 1xsb h ALA 60 N 1.47 0.06 -0.20 6.16 0.00 -0.08 0.55 119.26 127.21 1xsb h ALA 60 Ca 0.42 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1xsb h ALA 60 Cb 0.32 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 1xsb h ALA 60 CO -0.22 -0.21 -0.21 -0.07 0.00 0.00 0.00 179.25 178.54 1xsb h LEU 61 N -0.31 -0.66 -0.52 0.00 3.38 0.82 2.79 115.31 120.81 1xsb h LEU 61 Ca 0.01 0.12 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1xsb h LEU 61 Cb 0.45 0.31 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1xsb h LEU 61 CO 0.01 -0.25 0.05 0.03 0.09 0.00 0.00 178.44 178.37 1xsb h ARG 62 N -0.23 0.89 -0.03 1.13 3.08 0.59 -2.44 114.38 117.37 1xsb h ARG 62 Ca 0.12 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 1xsb h ARG 62 Cb 0.41 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1xsb h ARG 62 CO -0.33 0.89 -0.52 0.00 -1.07 0.00 0.00 179.97 178.94 1xsb h ALA 63 N 0.96 1.07 -0.30 0.04 0.00 0.11 -0.60 119.26 120.55 1xsb h ALA 63 Ca 0.15 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xsb h ALA 63 Cb 0.45 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1xsb h ALA 63 CO 0.02 0.66 0.20 1.15 0.00 0.00 0.00 179.25 181.27 1xsb h THR 64 N 0.07 1.08 0.22 0.00 2.02 0.54 0.46 112.91 117.30 1xsb h THR 64 Ca -0.00 -0.16 -0.33 0.00 0.77 0.00 0.00 66.41 66.70 1xsb h THR 64 Cb 0.94 0.65 0.03 0.00 -1.74 0.00 0.00 68.15 68.03 1xsb h THR 64 CO 0.07 0.08 -1.47 0.06 0.37 0.00 0.00 175.52 174.63 1xsb h GLN 65 N 0.40 0.46 -0.70 6.66 3.07 0.08 -0.19 115.11 124.88 1xsb h GLN 65 Ca 0.11 -0.78 -0.02 0.00 0.09 0.00 0.00 58.65 58.05 1xsb h GLN 65 Cb -0.04 0.29 -0.03 0.00 0.08 0.00 0.00 27.48 27.78 1xsb h GLN 65 CO -0.02 1.37 0.36 0.93 0.09 0.00 0.00 178.83 181.56 1xsb h GLU 66 N 0.12 0.98 -0.37 0.06 5.08 -1.02 3.58 114.58 123.02 1xsb h GLU 66 Ca -0.24 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 1xsb h GLU 66 Cb 2.12 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.18 1xsb h GLU 66 CO 0.25 0.74 0.00 0.39 -1.00 0.00 0.00 179.01 179.38 1xsb n GLU 67 N -4.35 2.34 0.00 2.33 -0.58 0.14 -4.60 120.64 115.93 1xsb n GLU 67 Ca 0.07 -2.14 0.00 0.00 -0.42 0.00 0.00 57.16 54.67 1xsb n GLU 67 Cb 0.11 -1.44 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 1xsb n GLU 67 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsb n ALA 68 N 1.22 0.13 -0.26 0.62 0.00 -0.09 -4.47 120.51 117.67 1xsb n ALA 68 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1xsb n ALA 68 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1xsb n ALA 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xsb n GLY 69 N -0.01 1.29 3.68 0.00 0.00 1.18 0.52 105.19 111.85 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 -2.84 5.09 0.44 -0.61 1.01 -1.21 -4.73 121.20 118.35 1xsb s ILE 70 Ca 0.00 0.07 0.04 0.00 0.00 0.00 0.00 60.65 60.76 1xsb s ILE 70 Cb 0.00 -3.31 -0.04 0.00 0.01 0.00 0.00 42.46 39.12 1xsb s ILE 70 CO 0.00 0.45 0.04 -1.83 0.00 0.00 0.00 174.94 173.59 1xsb s GLU 71 N 0.41 2.01 0.47 2.79 -1.05 -1.26 0.07 118.70 122.13 1xsb s GLU 71 Ca 0.05 -2.22 0.20 0.00 -0.15 0.00 0.00 54.97 52.86 1xsb s GLU 71 Cb -0.12 -1.29 1.20 0.00 -0.44 0.00 0.00 34.13 33.48 1xsb s GLU 71 CO -0.01 -0.28 1.93 0.00 0.95 0.00 0.00 175.26 177.85 1xsb h ALA 72 N 1.65 2.32 0.00 -0.84 0.00 -1.85 1.79 119.26 122.33 1xsb h ALA 72 Ca -0.42 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xsb h ALA 72 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xsb h ALA 72 CO 0.72 -0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.85 1xsb n GLY 73 N -1.58 -0.69 0.00 0.00 0.00 -1.26 -2.11 105.19 99.56 1xsb n GLY 73 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1xsb n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xsb n GLN 74 N -1.44 4.38 -3.55 1.61 6.02 0.59 -5.01 117.38 119.98 1xsb n GLN 74 Ca 0.02 -0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.84 1xsb n GLN 74 Cb 0.08 -0.71 -0.04 0.00 1.02 0.00 0.00 30.24 30.59 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 -1.20 0.00 -3.90 1.08 -0.00 -0.08 0.67 117.00 113.57 1xsb n LEU 75 Ca 0.00 -1.95 -0.29 0.00 -0.00 0.00 0.00 56.01 53.77 1xsb n LEU 75 Cb 0.01 0.48 -0.16 0.00 -0.00 0.00 0.00 43.42 43.76 1xsb n LEU 75 CO 0.02 -0.29 -0.42 -0.89 -0.00 0.00 0.00 177.39 175.80 1xsb s THR 76 N -2.36 1.19 0.02 1.47 2.01 0.95 -4.75 115.64 114.17 1xsb s THR 76 Ca 0.08 -0.77 -0.29 0.00 0.31 0.00 0.00 61.69 61.03 1xsb s THR 76 Cb 0.00 -1.40 -0.04 0.00 0.01 0.00 0.00 72.50 71.08 1xsb s THR 76 CO 0.06 0.07 0.91 -0.63 -0.69 0.00 0.00 174.62 174.34 1xsb s ILE 77 N 1.58 4.80 0.15 1.82 -1.09 -1.26 -1.38 121.20 125.82 1xsb s ILE 77 Ca -0.01 1.93 -0.17 0.00 -2.23 0.00 0.00 60.65 60.17 1xsb s ILE 77 Cb -0.16 -4.26 -0.07 0.00 -1.58 0.00 0.00 42.46 36.39 1xsb s ILE 77 CO -0.07 0.23 0.60 -0.63 -1.23 0.00 0.00 174.94 173.84 1xsb s ILE 78 N 0.64 4.75 0.11 2.92 1.09 0.12 -4.98 121.20 125.85 1xsb s ILE 78 Ca 0.47 1.06 0.04 0.00 -1.10 0.00 0.00 60.65 61.12 1xsb s ILE 78 Cb -0.21 -3.81 -0.04 0.00 -1.06 0.00 0.00 42.46 37.34 1xsb s ILE 78 CO 0.26 0.32 0.07 -1.61 -0.10 0.00 0.00 174.94 173.88 1xsb s GLU 79 N -1.74 2.76 0.00 2.79 2.02 -1.26 -4.50 118.70 118.78 1xsb s GLU 79 Ca 0.37 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.55 1xsb s GLU 79 Cb -0.17 -2.63 0.00 0.00 0.10 0.00 0.00 34.13 31.44 1xsb s GLU 79 CO 0.20 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.41 1xsb n GLY 80 N 0.22 2.99 3.41 -1.39 0.00 -1.26 -5.04 105.19 104.11 1xsb n GLY 80 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.68 2.97 -0.21 1.61 2.19 -1.26 -5.08 117.98 115.52 1xsb s PHE 81 Ca 0.00 -0.57 -0.13 0.00 0.33 0.00 0.00 56.93 56.56 1xsb s PHE 81 Cb 0.00 -2.01 0.06 0.00 -1.31 0.00 0.00 43.02 39.76 1xsb s PHE 81 CO 0.00 -0.26 0.52 0.21 1.83 0.00 0.00 175.22 177.52 1xsb s LYS 82 N 0.83 0.54 -0.19 10.12 2.20 -1.26 -4.70 119.74 127.27 1xsb s LYS 82 Ca -0.01 0.90 -0.28 0.00 -0.36 0.00 0.00 55.97 56.23 1xsb s LYS 82 Cb -0.15 0.10 0.09 0.00 -1.51 0.00 0.00 37.83 36.36 1xsb s LYS 82 CO 0.02 -0.14 0.81 0.50 -0.36 0.00 0.00 175.35 176.18 1xsb s ARG 83 N 1.21 0.81 -0.04 4.03 6.06 -1.26 -5.04 118.95 124.72 1xsb s ARG 83 Ca -0.07 0.58 0.06 0.00 -2.50 0.00 0.00 55.73 53.79 1xsb s ARG 83 Cb -0.06 0.39 -0.01 0.00 0.06 0.00 0.00 34.95 35.32 1xsb s ARG 83 CO -0.12 -0.17 -0.23 -1.83 -2.50 0.00 0.00 175.30 170.45 1xsb s GLU 84 N -0.34 2.10 -0.30 5.12 1.03 -1.24 -1.23 118.70 123.84 1xsb s GLU 84 Ca -0.03 -0.81 -0.20 0.00 0.03 0.00 0.00 54.97 53.96 1xsb s GLU 84 Cb -0.03 -1.88 -0.01 0.00 -0.80 0.00 0.00 34.13 31.41 1xsb s GLU 84 CO 0.02 0.40 0.61 -0.51 -1.33 0.00 0.00 175.26 174.46 1xsb s LEU 85 N -0.28 4.15 -0.17 1.83 1.43 0.40 -4.68 118.68 121.36 1xsb s LEU 85 Ca 0.02 0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 53.51 1xsb s LEU 85 Cb -0.11 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.31 1xsb s LEU 85 CO 0.01 -0.46 -0.11 0.20 0.23 0.00 0.00 176.35 176.23 1xsb s ASN 86 N 1.64 3.99 -0.04 2.29 0.02 -1.25 -1.00 114.94 120.59 1xsb s ASN 86 Ca 0.24 -0.39 -0.29 0.00 -1.02 0.00 0.00 52.86 51.40 1xsb s ASN 86 Cb -0.15 -1.64 0.10 0.00 0.02 0.00 0.00 41.25 39.58 1xsb s ASN 86 CO 0.12 0.08 0.87 -0.72 0.02 0.00 0.00 177.10 177.46 1xsb s TYR 87 N 0.89 -0.40 -0.39 2.20 -0.85 -1.18 -4.92 117.35 112.69 1xsb s TYR 87 Ca -0.03 0.43 -0.03 0.00 -0.52 0.00 0.00 57.07 56.92 1xsb s TYR 87 Cb -0.15 0.50 0.10 0.00 0.38 0.00 0.00 41.96 42.79 1xsb s TYR 87 CO -0.00 -0.53 0.17 0.54 -1.52 0.00 0.00 175.55 174.21 1xsb s VAL 88 N -2.44 3.31 0.00 -3.49 0.11 -1.26 -1.32 120.40 115.32 1xsb s VAL 88 Ca 0.01 -1.87 0.00 0.00 -2.93 0.00 0.00 61.98 57.20 1xsb s VAL 88 Cb -0.01 -3.18 0.00 0.00 -1.53 0.00 0.00 36.38 31.66 1xsb s VAL 88 CO -0.05 -0.56 0.00 0.00 -3.33 0.00 0.00 175.10 171.16 1xsb n ALA 89 N 4.63 0.00 0.13 1.54 0.00 -1.24 -4.54 120.51 121.03 1xsb n ALA 89 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.26 1xsb n ALA 89 Cb 0.42 0.00 -0.07 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 -3.43 114.38 108.69 1xsb h ARG 90 Ca 0.00 0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.10 1xsb h ARG 90 Cb 0.00 0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.15 1xsb h ARG 90 CO 0.00 -0.21 0.00 -1.71 0.10 0.00 0.00 179.97 178.15 1xsb n ASN 91 N -5.26 0.00 -3.76 0.08 5.15 -1.26 -5.13 115.26 105.07 1xsb n ASN 91 Ca -0.08 -0.11 -0.16 0.00 -0.60 0.00 0.00 54.58 53.63 1xsb n ASN 91 Cb 0.18 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.27 1xsb n ASN 91 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 1xsb s LYS 92 N 0.00 0.01 -0.03 1.20 2.47 -1.26 -5.07 119.74 117.06 1xsb s LYS 92 Ca 0.00 0.21 -0.30 0.00 -1.56 0.00 0.00 55.97 54.32 1xsb s LYS 92 Cb 0.00 -0.34 -0.03 0.00 -1.46 0.00 0.00 37.83 36.00 1xsb s LYS 92 CO 0.00 -0.20 1.03 -1.25 0.16 0.00 0.00 175.35 175.09 1xsb s PRO 93 N 1.30 4.49 -0.12 4.03 0.04 -1.26 -3.63 135.00 139.84 1xsb s PRO 93 Ca -0.06 1.47 0.03 0.00 0.04 0.00 0.00 61.00 62.47 1xsb s PRO 93 Cb -0.13 -3.48 0.01 0.00 0.04 0.00 0.00 34.50 30.94 1xsb s PRO 93 CO -0.03 -0.18 -0.22 0.15 0.04 0.00 0.00 177.00 176.77 1xsb s LYS 94 N 1.40 2.90 -0.22 4.56 1.02 -0.43 -0.31 119.74 128.66 1xsb s LYS 94 Ca 0.52 -0.82 -0.20 0.00 0.02 0.00 0.00 55.97 55.50 1xsb s LYS 94 Cb -0.21 -2.29 -0.03 0.00 -0.52 0.00 0.00 37.83 34.78 1xsb s LYS 94 CO 0.25 0.05 0.59 0.99 -0.92 0.00 0.00 175.35 176.30 1xsb s THR 95 N 0.67 5.04 -0.18 2.17 2.01 -0.46 -3.11 115.64 121.79 1xsb s THR 95 Ca -0.11 1.08 0.01 0.00 0.31 0.00 0.00 61.69 62.97 1xsb s THR 95 Cb -0.16 -3.90 0.02 0.00 0.01 0.00 0.00 72.50 68.46 1xsb s THR 95 CO 0.02 0.11 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.18 1xsb s VAL 96 N 2.00 2.19 -0.19 3.82 1.01 -0.17 -1.21 120.40 127.85 1xsb s VAL 96 Ca 0.26 -0.90 -0.12 0.00 0.00 0.00 0.00 61.98 61.22 1xsb s VAL 96 Cb -0.16 -1.92 -0.05 0.00 0.00 0.00 0.00 36.38 34.26 1xsb s VAL 96 CO 0.10 0.53 0.21 -0.63 0.00 0.00 0.00 175.10 175.31 1xsb s ILE 97 N 1.24 5.35 -0.09 2.22 -1.09 -1.12 0.15 121.20 127.86 1xsb s ILE 97 Ca 0.03 0.36 0.03 0.00 -2.23 0.00 0.00 60.65 58.84 1xsb s ILE 97 Cb -0.13 -3.55 -0.01 0.00 -1.58 0.00 0.00 42.46 37.18 1xsb s ILE 97 CO -0.11 0.40 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.51 1xsb s TYR 98 N 0.50 2.65 -0.03 3.97 2.02 -0.36 -2.65 117.35 123.44 1xsb s TYR 98 Ca 0.12 -0.69 0.04 0.00 -0.37 0.00 0.00 57.07 56.17 1xsb s TYR 98 Cb -0.12 -1.72 -0.03 0.00 -0.40 0.00 0.00 41.96 39.69 1xsb s TYR 98 CO 0.01 -0.21 -0.16 -1.58 -1.57 0.00 0.00 175.55 172.05 1xsb s TRP 99 N 0.07 2.66 0.14 2.71 0.51 -1.26 -4.04 118.94 119.74 1xsb s TRP 99 Ca -0.08 -0.19 -0.30 0.00 -2.12 0.00 0.00 56.10 53.41 1xsb s TRP 99 Cb -0.15 -1.60 -0.07 0.00 -0.81 0.00 0.00 33.47 30.84 1xsb s TRP 99 CO 0.05 0.18 1.06 -0.51 -0.51 0.00 0.00 176.95 177.22 1xsb s LEU 100 N -0.83 4.48 0.06 2.99 1.43 -1.26 -1.75 118.68 123.81 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 -0.11 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1xsb s LEU 100 CO 0.01 -0.18 -0.07 0.00 0.23 0.00 0.00 176.35 176.34 1xsb s ALA 101 N -0.06 0.70 -0.15 4.21 0.00 0.11 0.12 121.76 126.70 1xsb s ALA 101 Ca 0.49 -0.96 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1xsb s ALA 101 Cb -0.27 0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.95 1xsb s ALA 101 CO 0.33 -0.09 -0.14 -2.00 0.00 0.00 0.00 175.76 173.86 1xsb s GLU 102 N -2.34 2.25 0.09 0.00 2.12 -0.48 0.33 118.70 120.68 1xsb s GLU 102 Ca -0.03 -0.54 -0.30 0.00 0.36 0.00 0.00 54.97 54.46 1xsb s GLU 102 Cb -0.05 -2.07 -0.06 0.00 0.26 0.00 0.00 34.13 32.21 1xsb s GLU 102 CO -0.01 -0.23 1.16 0.14 -0.54 0.00 0.00 175.26 175.78 1xsb s VAL 103 N 1.49 4.01 0.19 3.70 -7.23 -1.26 -0.04 120.40 121.27 1xsb s VAL 103 Ca 0.05 1.52 -0.12 0.00 -1.81 0.00 0.00 61.98 61.62 1xsb s VAL 103 Cb -0.13 -3.97 0.10 0.00 0.56 0.00 0.00 36.38 32.95 1xsb s VAL 103 CO -0.10 0.16 1.82 0.11 -0.31 0.00 0.00 175.10 176.77 1xsb h LYS 104 N 6.32 0.66 -5.74 4.82 1.57 -0.09 -3.41 116.57 120.69 1xsb h LYS 104 Ca -0.42 -0.04 -0.61 0.00 -1.87 0.00 0.00 60.65 57.71 1xsb h LYS 104 Cb 1.21 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 33.30 1xsb h LYS 104 CO 0.78 0.43 -0.29 0.34 -0.57 0.00 0.00 179.45 180.14 1xsb s ASP 105 N -5.62 6.59 0.21 0.86 -1.08 -1.26 -4.96 116.67 111.42 1xsb s ASP 105 Ca -0.13 0.70 -0.06 0.00 -0.52 0.00 0.00 52.55 52.55 1xsb s ASP 105 Cb 0.14 -2.19 0.18 0.00 -1.46 0.00 0.00 42.92 39.59 1xsb s ASP 105 CO 0.75 0.24 1.67 0.22 0.52 0.00 0.00 175.17 178.57 1xsb h TYR 106 N 5.57 0.99 -0.61 -5.34 3.20 -1.99 -1.81 116.97 116.97 1xsb h TYR 106 Ca -0.48 -0.18 -0.08 0.00 3.14 0.00 0.00 58.73 61.13 1xsb h TYR 106 Cb 1.20 -0.25 -0.05 0.00 1.54 0.00 0.00 36.73 39.17 1xsb h TYR 106 CO 0.68 0.93 0.10 -0.25 -1.64 0.00 0.00 178.16 177.98 1xsb n ASP 107 N -4.16 5.22 -4.31 -2.11 8.00 -1.26 -4.99 116.55 112.93 1xsb n ASP 107 Ca 0.02 -2.99 -0.40 0.00 0.71 0.00 0.00 54.79 52.13 1xsb n ASP 107 Cb 0.37 -0.70 0.01 0.00 -0.02 0.00 0.00 41.12 40.77 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 0.33 0.67 -2.17 2.53 3.14 -0.68 -4.80 118.33 117.35 1xsb n VAL 108 Ca 0.31 -0.50 -0.37 0.00 -2.96 0.00 0.00 64.34 60.83 1xsb n VAL 108 Cb 1.23 -0.13 0.01 0.00 -1.06 0.00 0.00 33.84 33.88 1xsb n VAL 108 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1xsb s GLU 109 N -1.18 3.46 -0.22 1.45 -1.05 -1.26 -5.01 118.70 114.89 1xsb s GLU 109 Ca 0.60 1.80 0.01 0.00 -0.15 0.00 0.00 54.97 57.23 1xsb s GLU 109 Cb -0.56 -2.21 0.05 0.00 -0.44 0.00 0.00 34.13 30.97 1xsb s GLU 109 CO 0.63 -0.80 -0.10 0.42 0.95 0.00 0.00 175.26 176.35 1xsb s ILE 110 N -1.58 1.81 -0.38 1.83 -1.09 -1.25 -4.39 121.20 116.15 1xsb s ILE 110 Ca 0.69 -1.22 -0.11 0.00 -2.23 0.00 0.00 60.65 57.78 1xsb s ILE 110 Cb -0.29 -1.91 0.03 0.00 -1.58 0.00 0.00 42.46 38.71 1xsb s ILE 110 CO 0.34 0.10 0.21 -0.13 -1.23 0.00 0.00 174.94 174.22 1xsb s ARG 111 N 1.30 2.80 0.12 2.79 0.52 1.97 -4.88 118.95 123.57 1xsb s ARG 111 Ca -0.04 -1.10 -0.02 0.00 -0.52 0.00 0.00 55.73 54.06 1xsb s ARG 111 Cb -0.17 -3.73 -0.05 0.00 0.52 0.00 0.00 34.95 31.52 1xsb s ARG 111 CO -0.07 -0.71 0.30 -0.51 0.02 0.00 0.00 175.30 174.32 1xsb s LEU 112 N 1.55 4.31 0.31 2.53 1.43 -1.26 -0.91 118.68 126.63 1xsb s LEU 112 Ca 0.02 0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.59 1xsb s LEU 112 Cb -0.19 -3.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.88 1xsb s LEU 112 CO 0.07 0.09 0.18 -0.44 0.23 0.00 0.00 176.35 176.47 1xsb s SER 113 N -2.64 5.00 0.54 2.29 0.01 -1.26 -4.91 113.70 112.74 1xsb s SER 113 Ca 0.38 -0.57 0.43 0.00 1.31 0.00 0.00 55.95 57.49 1xsb s SER 113 Cb -0.12 -0.94 1.63 0.00 0.21 0.00 0.00 66.02 66.79 1xsb s SER 113 CO 0.27 -0.22 1.69 -0.74 0.41 0.00 0.00 173.24 174.65 1xsb h HIS 114 N 1.50 0.03 0.00 2.43 2.76 -1.99 2.13 115.15 122.01 1xsb h HIS 114 Ca -0.45 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 57.67 1xsb h HIS 114 Cb 1.25 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 30.19 1xsb h HIS 114 CO 0.59 -0.01 -0.24 1.49 -1.30 0.00 0.00 177.93 178.46 1xsb h GLU 115 N 0.01 0.00 -4.83 5.26 4.81 -1.94 -3.40 114.58 114.49 1xsb h GLU 115 Ca 0.75 0.00 -0.67 0.00 -0.13 0.00 0.00 59.36 59.31 1xsb h GLU 115 Cb 2.97 0.00 -0.25 0.00 0.63 0.00 0.00 28.75 32.10 1xsb h GLU 115 CO -0.03 0.24 -0.61 -1.01 -0.73 0.00 0.00 179.01 176.87 1xsb s HIS 116 N -4.38 3.14 0.18 0.92 3.76 0.72 -2.55 115.29 117.09 1xsb s HIS 116 Ca -0.03 -0.81 -0.04 0.00 -0.15 0.00 0.00 55.06 54.03 1xsb s HIS 116 Cb 0.15 -2.27 0.08 0.00 1.11 0.00 0.00 32.58 31.65 1xsb s HIS 116 CO 0.69 -0.52 1.48 0.37 -0.85 0.00 0.00 174.74 175.91 1xsb h GLN 117 N 8.26 0.56 -1.77 1.40 4.15 0.86 -3.38 115.11 125.18 1xsb h GLN 117 Ca -0.33 -0.37 0.25 0.00 0.77 0.00 0.00 58.65 58.97 1xsb h GLN 117 Cb 1.14 0.05 -0.13 0.00 0.21 0.00 0.00 27.48 28.75 1xsb h GLN 117 CO 0.60 0.98 0.70 0.00 -1.93 0.00 0.00 178.83 179.19 1xsb s ALA 118 N -3.93 -2.01 0.10 3.38 0.00 -1.17 -4.93 121.76 113.19 1xsb s ALA 118 Ca -0.07 0.79 0.05 0.00 0.00 0.00 0.00 51.96 52.72 1xsb s ALA 118 Cb 0.11 0.33 -0.03 0.00 0.00 0.00 0.00 23.12 23.53 1xsb s ALA 118 CO 0.85 -0.91 -0.13 1.52 0.00 0.00 0.00 175.76 177.09 1xsb s TYR 119 N -2.72 1.23 0.06 0.00 1.13 -1.26 0.38 117.35 116.17 1xsb s TYR 119 Ca 0.12 -0.56 0.01 0.00 -1.41 0.00 0.00 57.07 55.23 1xsb s TYR 119 Cb 0.01 -0.67 -0.03 0.00 -1.10 0.00 0.00 41.96 40.18 1xsb s TYR 119 CO -0.03 0.07 -0.06 1.03 -2.51 0.00 0.00 175.55 174.05 1xsb s ARG 120 N -2.41 0.59 -0.36 -3.49 0.52 -0.81 -4.97 118.95 108.03 1xsb s ARG 120 Ca 0.04 -0.97 -0.06 0.00 -0.52 0.00 0.00 55.73 54.22 1xsb s ARG 120 Cb -0.06 -0.12 0.06 0.00 0.52 0.00 0.00 34.95 35.35 1xsb s ARG 120 CO 0.02 -0.01 0.13 -1.58 0.02 0.00 0.00 175.30 173.88 1xsb s TRP 121 N -2.45 3.33 0.35 -0.53 0.52 -1.26 -2.94 118.94 115.95 1xsb s TRP 121 Ca -0.02 -1.69 0.03 0.00 0.02 0.00 0.00 56.10 54.45 1xsb s TRP 121 Cb -0.03 -2.53 -0.05 0.00 -1.15 0.00 0.00 33.47 29.71 1xsb s TRP 121 CO -0.03 -0.81 0.08 -0.51 0.02 0.00 0.00 176.95 175.70 1xsb s LEU 122 N 1.34 2.10 0.00 2.99 1.02 -1.25 -4.93 118.68 119.95 1xsb s LEU 122 Ca 0.00 -1.46 -0.11 0.00 0.02 0.00 0.00 54.13 52.58 1xsb s LEU 122 Cb -0.21 -0.29 0.16 0.00 0.02 0.00 0.00 46.19 45.87 1xsb s LEU 122 CO 0.01 -0.70 0.96 0.61 0.02 0.00 0.00 176.35 177.25 1xsb n GLY 123 N -0.74 -1.21 0.26 -3.19 0.00 -1.26 -1.61 105.19 97.44 1xsb n GLY 123 Ca -0.03 -1.73 -0.03 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 0.64 0.22 0.99 5.85 -1.90 0.37 115.31 121.48 1xsb h LEU 124 Ca -0.31 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1xsb h LEU 124 Cb 0.88 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 1xsb h LEU 124 CO 0.23 0.43 -0.20 1.05 -0.34 0.00 0.00 178.44 179.61 1xsb h GLU 125 N 0.78 -0.43 -0.01 1.25 4.11 -1.95 0.51 114.58 118.84 1xsb h GLU 125 Ca 0.29 0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.74 1xsb h GLU 125 Cb 0.09 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1xsb h GLU 125 CO -0.14 -0.29 -0.01 0.93 0.07 0.00 0.00 179.01 179.57 1xsb h GLU 126 N -0.45 0.03 -0.68 1.06 3.07 -1.87 0.66 114.58 116.39 1xsb h GLU 126 Ca -0.00 -0.02 0.20 0.00 -0.50 0.00 0.00 59.36 59.04 1xsb h GLU 126 Cb 0.41 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.30 1xsb h GLU 126 CO -0.04 0.51 0.58 0.00 -1.40 0.00 0.00 179.01 178.67 1xsb h ALA 127 N 0.51 2.53 0.15 3.43 0.00 -0.17 0.81 119.26 126.53 1xsb h ALA 127 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 1xsb h ALA 127 Cb 0.51 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.37 1xsb h ALA 127 CO 0.00 -0.94 -0.90 0.00 0.00 0.00 0.00 179.25 177.42 1xsb h GLN 129 N -0.32 0.01 -0.47 0.00 -0.00 0.64 -2.12 115.11 112.85 1xsb h GLN 129 Ca -0.16 -0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.39 1xsb h GLN 129 Cb 1.70 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 29.16 1xsb h GLN 129 CO 0.16 0.00 -0.12 -0.07 -0.00 0.00 0.00 178.83 178.81 1xsb h LEU 130 N 0.01 0.85 -5.00 0.06 3.38 -0.59 -3.19 115.31 110.82 1xsb h LEU 130 Ca 0.04 -0.27 -0.57 0.00 0.09 0.00 0.00 57.88 57.18 1xsb h LEU 130 Cb 0.06 -0.23 0.02 0.00 0.09 0.00 0.00 40.66 40.60 1xsb h LEU 130 CO -0.09 0.98 3.24 0.00 0.09 0.00 0.00 178.44 182.66 1xsb n ALA 131 N -2.49 6.87 -0.29 1.53 0.00 -0.75 -3.64 120.51 121.75 1xsb n ALA 131 Ca 0.01 -3.06 0.26 0.00 0.00 0.00 0.00 53.44 50.66 1xsb n ALA 131 Cb 0.38 -3.21 0.49 0.00 0.00 0.00 0.00 19.45 17.11 1xsb n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsb n GLN 132 N 3.60 -0.06 -1.68 0.00 0.00 -1.21 -4.12 117.38 113.92 1xsb n GLN 132 Ca 0.69 1.26 -0.47 0.00 0.00 0.00 0.00 57.00 58.47 1xsb n GLN 132 Cb 0.27 -2.22 -0.04 0.00 0.00 0.00 0.00 30.24 28.24 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 -5.08 2.34 -0.34 2.61 3.01 -1.26 -4.82 117.46 113.91 1xsb n PHE 133 Ca 0.32 0.02 0.02 0.00 1.01 0.00 0.00 57.45 58.82 1xsb n PHE 133 Cb 1.09 -2.65 0.20 0.00 -0.01 0.00 0.00 39.48 38.10 1xsb n PHE 133 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 1xsb h LYS 134 N 8.66 1.11 -0.86 -1.08 3.64 -1.97 -1.81 116.57 124.25 1xsb h LYS 134 Ca -0.48 -0.07 0.13 0.00 -1.27 0.00 0.00 60.65 58.97 1xsb h LYS 134 Cb 1.27 -0.25 -0.09 0.00 -0.41 0.00 0.00 32.23 32.75 1xsb h LYS 134 CO 0.94 0.73 0.47 0.93 -2.27 0.00 0.00 179.45 180.25 1xsb h GLU 135 N 1.14 0.69 -0.30 1.90 5.08 -1.90 0.42 114.58 121.61 1xsb h GLU 135 Ca 0.40 -0.04 -0.18 0.00 -1.00 0.00 0.00 59.36 58.53 1xsb h GLU 135 Cb 0.11 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 1xsb h GLU 135 CO -0.14 0.45 -0.52 0.52 -1.00 0.00 0.00 179.01 178.32 1xsb h MET 136 N 0.71 0.87 -0.51 2.33 2.86 -1.63 1.88 114.93 121.43 1xsb h MET 136 Ca 0.46 -0.53 0.06 0.00 -2.06 0.00 0.00 59.70 57.62 1xsb h MET 136 Cb 0.58 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.26 1xsb h MET 136 CO -0.32 1.17 0.34 0.87 1.06 0.00 0.00 176.91 180.03 1xsb h LYS 137 N 0.67 0.45 0.01 1.72 6.56 -0.28 0.97 116.57 126.68 1xsb h LYS 137 Ca 0.02 -0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.56 1xsb h LYS 137 Cb 1.12 -0.10 0.00 0.00 -0.57 0.00 0.00 32.23 32.68 1xsb h LYS 137 CO 0.12 0.30 -0.10 0.00 -2.06 0.00 0.00 179.45 177.70 1xsb h ALA 138 N 1.72 -0.01 -0.31 3.86 0.00 0.64 -0.06 119.26 125.10 1xsb h ALA 138 Ca 0.22 -0.50 0.06 0.00 0.00 0.00 0.00 54.91 54.69 1xsb h ALA 138 Cb 0.29 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1xsb h ALA 138 CO -0.06 0.02 -0.01 0.00 0.00 0.00 0.00 179.25 179.20 1xsb h ALA 139 N 0.07 0.27 0.00 0.00 0.00 0.38 2.52 119.26 122.51 1xsb h ALA 139 Ca -0.02 0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1xsb h ALA 139 Cb 1.02 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 1xsb h ALA 139 CO 0.02 -0.41 -0.26 -0.07 0.00 0.00 0.00 179.25 178.52 1xsb h LEU 140 N 0.08 0.00 0.05 0.00 3.38 0.85 -0.43 115.31 119.24 1xsb h LEU 140 Ca 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1xsb h LEU 140 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1xsb h LEU 140 CO -0.27 0.26 -0.02 1.56 0.09 0.00 0.00 178.44 180.07 1xsb h GLN 141 N 0.00 -0.06 -0.37 1.13 1.08 0.20 -2.88 115.11 114.21 1xsb h GLN 141 Ca -0.00 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 1xsb h GLN 141 Cb 0.47 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 1xsb h GLN 141 CO 0.03 0.58 -0.17 0.93 -0.95 0.00 0.00 178.83 179.26 1xsb h GLU 142 N -0.84 0.69 -0.16 1.46 5.08 0.41 -0.80 114.58 120.42 1xsb h GLU 142 Ca -0.01 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1xsb h GLU 142 Cb 0.67 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1xsb h GLU 142 CO 0.01 0.82 0.10 0.78 -1.00 0.00 0.00 179.01 179.72 1xsb h GLY 143 N 0.98 0.22 1.01 -3.84 0.00 -1.17 0.31 103.07 100.58 1xsb h GLY 143 Ca 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 47.33 47.30 1xsb h GLY 143 CO 0.04 0.08 0.25 0.84 0.00 0.00 0.00 176.54 177.75 1xsb h HIS 144 N 0.20 1.00 -0.60 5.60 -0.00 -1.35 -0.80 115.15 119.20 1xsb h HIS 144 Ca 0.06 -0.08 0.04 0.00 -0.00 0.00 0.00 60.37 60.39 1xsb h HIS 144 Cb -0.01 -0.30 -0.05 0.00 -0.00 0.00 0.00 27.41 27.06 1xsb h HIS 144 CO -0.06 0.79 0.34 0.37 -0.00 0.00 0.00 177.93 179.37 1xsb h GLN 145 N 0.92 0.64 0.12 5.26 5.75 -0.38 -1.94 115.11 125.48 1xsb h GLN 145 Ca 0.21 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.67 1xsb h GLN 145 Cb 0.23 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.63 1xsb h GLN 145 CO -0.02 0.42 -0.06 0.35 -2.65 0.00 0.00 178.83 176.88 1xsb h PHE 146 N 0.66 -0.15 -0.76 3.99 3.04 -0.02 -2.94 116.94 120.75 1xsb h PHE 146 Ca 0.26 -0.00 0.20 0.00 3.98 0.00 0.00 57.97 62.40 1xsb h PHE 146 Cb 0.10 0.05 -0.04 0.00 2.56 0.00 0.00 35.95 38.62 1xsb h PHE 146 CO -0.07 0.27 0.53 -0.07 -2.02 0.00 0.00 178.31 176.95 1xsb h LEU 147 N -0.64 0.15 -0.23 0.59 3.38 -1.04 1.31 115.31 118.84 1xsb h LEU 147 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xsb h LEU 147 Cb 0.49 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1xsb h LEU 147 CO 0.03 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.63 1xsb n SER 149 N -2.19 0.53 0.00 0.00 7.64 0.45 -4.78 113.62 115.26 1xsb n SER 149 Ca 0.04 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.53 1xsb n SER 149 Cb 0.35 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 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 -1.12 0.00 0.00 0.44 5.41 -1.06 -5.10 119.36 117.92 1xsb n ILE 150 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.85 1xsb n ILE 150 Cb 0.32 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.25 1xsb n ILE 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xsb n GLU 151 N 0.00 0.00 -0.10 0.38 1.02 -1.26 -4.94 120.64 115.74 1xsb n GLU 151 Ca 0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1xsb n GLU 151 Cb 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 31.44 31.69 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xsb h ALA 152 N 1.11 1.41 -0.03 0.62 0.00 -1.99 -3.50 119.26 116.88 1xsb h ALA 152 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1xsb h ALA 152 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1xsb h ALA 152 CO 0.00 0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.98