#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 -0.96 1.61 0.13 -2.05 -3.11 132.00 127.63 1xsb h PRO 2 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 1xsb h PRO 2 Cb 0.00 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 1xsb h PRO 2 CO 0.00 0.50 0.63 -0.07 -0.23 0.00 0.00 178.00 178.83 1xsb h LEU 3 N 0.00 1.01 0.63 1.56 3.38 -2.03 -3.46 115.31 116.41 1xsb h LEU 3 Ca -0.01 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 1xsb h LEU 3 Cb 1.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.50 1xsb h LEU 3 CO 0.07 0.68 -0.15 0.61 0.09 0.00 0.00 178.44 179.73 1xsb n GLY 4 N -1.38 0.52 0.28 0.83 0.00 -1.18 -4.88 105.19 99.38 1xsb n GLY 4 Ca 0.14 -0.67 0.12 0.00 0.00 0.00 0.00 46.02 45.60 1xsb n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1xsb h SER 5 N 0.00 0.00 -3.35 1.61 0.02 -1.88 -3.40 113.55 106.54 1xsb h SER 5 Ca -0.15 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.21 1xsb h SER 5 Cb 0.76 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.22 1xsb h SER 5 CO 0.20 0.02 0.27 -0.32 -1.14 0.00 0.00 176.83 175.86 1xsb s MET 6 N -4.73 4.27 0.21 3.45 1.75 -1.26 -4.90 119.30 118.07 1xsb s MET 6 Ca -0.05 0.85 0.00 0.00 -1.25 0.00 0.00 55.69 55.24 1xsb s MET 6 Cb 0.16 -3.57 0.00 0.00 2.84 0.00 0.00 34.83 34.26 1xsb s MET 6 CO 0.60 -0.27 0.00 0.00 -0.65 0.00 0.00 175.02 174.69 1xsb n ALA 7 N 5.09 -2.78 -2.82 4.11 0.00 -1.26 -4.77 120.51 118.09 1xsb n ALA 7 Ca 0.02 0.30 -0.36 0.00 0.00 0.00 0.00 53.44 53.39 1xsb n ALA 7 Cb 0.49 -0.91 -0.07 0.00 0.00 0.00 0.00 19.45 18.96 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 -4.74 4.15 0.05 0.00 1.02 -0.91 -4.95 118.68 113.30 1xsb s LEU 8 Ca 0.00 0.35 -0.22 0.00 0.02 0.00 0.00 54.13 54.29 1xsb s LEU 8 Cb 0.00 -2.01 -0.06 0.00 0.02 0.00 0.00 46.19 44.14 1xsb s LEU 8 CO 0.00 0.37 0.64 -0.60 0.02 0.00 0.00 176.35 176.78 1xsb s ARG 9 N -0.81 4.35 0.05 1.70 3.52 -1.26 -1.93 118.95 124.57 1xsb s ARG 9 Ca 0.13 0.85 -0.03 0.00 -0.13 0.00 0.00 55.73 56.55 1xsb s ARG 9 Cb -0.12 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 29.94 1xsb s ARG 9 CO 0.03 0.45 0.04 0.00 -0.81 0.00 0.00 175.30 175.01 1xsb s ALA 10 N -0.53 0.19 -0.15 6.12 0.00 0.56 -3.52 121.76 124.43 1xsb s ALA 10 Ca 0.32 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.35 1xsb s ALA 10 Cb -0.20 0.29 0.07 0.00 0.00 0.00 0.00 23.12 23.28 1xsb s ALA 10 CO 0.20 -0.36 0.33 0.00 0.00 0.00 0.00 175.76 175.93 1xsb s GLY 12 N 2.06 2.72 -0.17 0.00 0.00 -1.01 -2.75 107.32 108.16 1xsb s GLY 12 Ca -0.04 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.63 1xsb s GLY 12 CO -0.11 -2.00 -0.14 1.08 0.00 0.00 0.00 173.10 171.94 1xsb s LEU 13 N -3.71 1.94 -0.59 0.66 1.43 -1.10 -3.98 118.68 113.33 1xsb s LEU 13 Ca 0.19 -0.64 -0.26 0.00 -1.03 0.00 0.00 54.13 52.39 1xsb s LEU 13 Cb 0.03 -1.24 0.04 0.00 0.03 0.00 0.00 46.19 45.06 1xsb s LEU 13 CO 0.10 -0.08 1.06 -0.63 0.23 0.00 0.00 176.35 177.04 1xsb s ILE 14 N 1.43 4.19 -0.06 -0.59 1.01 -0.88 -4.32 121.20 121.98 1xsb s ILE 14 Ca 0.03 0.46 -0.14 0.00 0.00 0.00 0.00 60.65 61.01 1xsb s ILE 14 Cb -0.14 -4.65 -0.05 0.00 0.01 0.00 0.00 42.46 37.63 1xsb s ILE 14 CO -0.10 -1.29 0.35 -0.63 0.00 0.00 0.00 174.94 173.27 1xsb s ILE 15 N 4.48 5.18 -0.06 2.92 1.01 -1.26 0.00 121.20 133.47 1xsb s ILE 15 Ca 0.35 0.69 -0.01 0.00 0.00 0.00 0.00 60.65 61.68 1xsb s ILE 15 Cb -0.11 -3.66 0.03 0.00 0.01 0.00 0.00 42.46 38.74 1xsb s ILE 15 CO 0.20 0.52 0.00 0.72 0.00 0.00 0.00 174.94 176.39 1xsb s PHE 16 N -0.60 0.56 -0.39 3.97 -0.71 0.99 -2.03 117.98 119.77 1xsb s PHE 16 Ca 0.21 -0.10 -0.26 0.00 -1.04 0.00 0.00 56.93 55.74 1xsb s PHE 16 Cb -0.15 -0.71 0.02 0.00 -1.21 0.00 0.00 43.02 40.97 1xsb s PHE 16 CO 0.10 -0.28 0.93 0.50 -1.34 0.00 0.00 175.22 175.13 1xsb s ARG 17 N 1.80 3.78 -0.01 1.99 3.52 0.15 -3.90 118.95 126.29 1xsb s ARG 17 Ca 0.02 0.49 -0.07 0.00 -0.13 0.00 0.00 55.73 56.04 1xsb s ARG 17 Cb -0.13 -3.83 -0.05 0.00 -1.56 0.00 0.00 34.95 29.39 1xsb s ARG 17 CO -0.04 -1.01 0.27 0.50 -0.81 0.00 0.00 175.30 174.21 1xsb s ARG 18 N 3.55 3.60 0.41 5.12 3.52 -1.26 -2.78 118.95 131.11 1xsb s ARG 18 Ca 0.38 -0.03 -0.06 0.00 -0.13 0.00 0.00 55.73 55.90 1xsb s ARG 18 Cb -0.11 -3.10 -0.05 0.00 -1.56 0.00 0.00 34.95 30.13 1xsb s ARG 18 CO 0.21 0.66 0.71 0.00 -0.81 0.00 0.00 175.30 176.07 1xsb h LEU 20 N 0.83 0.86 -7.00 0.00 5.85 -1.98 -3.44 115.31 110.44 1xsb h LEU 20 Ca -0.47 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.28 1xsb h LEU 20 Cb 1.20 -0.09 -0.16 0.00 0.37 0.00 0.00 40.66 41.98 1xsb h LEU 20 CO 0.63 0.39 0.21 0.27 -0.34 0.00 0.00 178.44 179.60 1xsb s ILE 21 N -5.91 0.00 0.66 4.05 -5.25 -1.26 -5.10 121.20 108.39 1xsb s ILE 21 Ca -0.12 0.00 -0.17 0.00 -0.99 0.00 0.00 60.65 59.38 1xsb s ILE 21 Cb 0.24 -1.00 -0.00 0.00 2.95 0.00 0.00 42.46 44.64 1xsb s ILE 21 CO 0.81 0.00 1.20 -2.84 -1.79 0.00 0.00 174.94 172.31 1xsb s PRO 22 N -2.45 2.62 0.00 0.37 0.02 -1.26 -4.99 135.00 129.30 1xsb s PRO 22 Ca -0.05 1.75 0.00 0.00 0.02 0.00 0.00 61.00 62.72 1xsb s PRO 22 Cb -0.01 -1.89 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1xsb s PRO 22 CO -0.01 -1.46 0.00 1.63 -0.33 0.00 0.00 177.00 176.82 1xsb n LYS 23 N -2.15 0.00 0.00 5.54 4.76 -1.26 -4.88 118.16 120.18 1xsb n LYS 23 Ca 0.13 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.71 1xsb n LYS 23 Cb 0.50 0.00 0.53 0.00 -1.84 0.00 0.00 35.03 34.22 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1xsb n VAL 24 N -0.63 0.00 -3.53 -0.18 0.31 -1.26 -4.92 118.33 108.13 1xsb n VAL 24 Ca 0.00 -0.04 -0.22 0.00 -0.01 0.00 0.00 64.34 64.07 1xsb n VAL 24 Cb 0.00 -0.07 0.08 0.00 -0.91 0.00 0.00 33.84 32.94 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 -1.12 -5.53 0.00 4.52 10.43 -1.26 -4.94 116.55 118.65 1xsb n ASP 25 Ca 0.11 -0.53 0.00 0.00 2.57 0.00 0.00 54.79 56.94 1xsb n ASP 25 Cb 0.30 -4.89 0.00 0.00 1.84 0.00 0.00 41.12 38.38 1xsb n ASP 25 CO 0.00 0.00 0.00 -0.46 -1.07 0.00 0.00 177.20 175.67 1xsb n ASN 26 N -2.89 0.00 -3.07 -2.24 6.94 -1.26 -4.87 115.26 107.88 1xsb n ASN 26 Ca -0.04 0.00 -0.26 0.00 -0.02 0.00 0.00 54.58 54.26 1xsb n ASN 26 Cb 0.58 -0.25 -0.05 0.00 -2.36 0.00 0.00 39.78 37.70 1xsb n ASN 26 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1xsb n ASN 27 N -2.12 3.85 -0.27 0.53 3.02 -1.26 -4.88 115.26 114.12 1xsb n ASN 27 Ca 0.00 -3.54 -0.02 0.00 -0.03 0.00 0.00 54.58 50.99 1xsb n ASN 27 Cb 0.00 -0.59 0.16 0.00 -0.61 0.00 0.00 39.78 38.74 1xsb n ASN 27 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xsb h ALA 28 N 3.24 1.29 -3.87 5.41 0.00 -1.94 -3.41 119.26 119.98 1xsb h ALA 28 Ca 0.14 -0.10 -0.69 0.00 0.00 0.00 0.00 54.91 54.26 1xsb h ALA 28 Cb 0.59 -0.33 -0.30 0.00 0.00 0.00 0.00 17.79 17.75 1xsb h ALA 28 CO 0.78 0.59 -0.86 0.42 0.00 0.00 0.00 179.25 180.19 1xsb s ILE 29 N -5.80 2.29 0.15 0.00 1.01 -1.26 -3.35 121.20 114.23 1xsb s ILE 29 Ca -0.12 -0.98 0.08 0.00 0.00 0.00 0.00 60.65 59.63 1xsb s ILE 29 Cb 0.17 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.74 1xsb s ILE 29 CO 0.81 0.57 -0.17 -1.61 0.00 0.00 0.00 174.94 174.54 1xsb s GLU 30 N -0.11 1.18 0.18 2.79 2.02 -1.12 -4.29 118.70 119.35 1xsb s GLU 30 Ca -0.04 -1.34 0.10 0.00 0.02 0.00 0.00 54.97 53.71 1xsb s GLU 30 Cb -0.14 -1.17 -0.04 0.00 0.10 0.00 0.00 34.13 32.87 1xsb s GLU 30 CO 0.04 0.24 -0.15 -0.06 0.02 0.00 0.00 175.26 175.35 1xsb s PHE 31 N -2.05 2.51 -0.11 1.61 0.08 -0.40 0.34 117.98 119.96 1xsb s PHE 31 Ca 0.13 -0.27 -0.24 0.00 0.12 0.00 0.00 56.93 56.66 1xsb s PHE 31 Cb -0.06 -1.23 -0.03 0.00 -0.57 0.00 0.00 43.02 41.13 1xsb s PHE 31 CO 0.05 0.51 0.76 -1.17 -0.10 0.00 0.00 175.22 175.27 1xsb s LEU 32 N -2.76 4.26 -0.05 -0.37 2.96 -0.86 -3.65 118.68 118.20 1xsb s LEU 32 Ca 0.23 1.18 0.03 0.00 -0.22 0.00 0.00 54.13 55.35 1xsb s LEU 32 Cb -0.08 -3.15 0.01 0.00 0.50 0.00 0.00 46.19 43.46 1xsb s LEU 32 CO 0.13 -0.24 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.04 1xsb s LEU 33 N 1.37 1.72 -0.10 -0.68 1.43 -1.17 -4.60 118.68 116.66 1xsb s LEU 33 Ca 0.38 -0.29 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 1xsb s LEU 33 Cb -0.17 -0.80 -0.04 0.00 0.03 0.00 0.00 46.19 45.21 1xsb s LEU 33 CO 0.16 0.06 0.05 -0.76 0.23 0.00 0.00 176.35 176.09 1xsb s LEU 34 N 0.46 3.86 -0.23 1.79 1.43 -1.04 -1.82 118.68 123.14 1xsb s LEU 34 Ca -0.10 0.26 -0.18 0.00 -1.03 0.00 0.00 54.13 53.08 1xsb s LEU 34 Cb -0.14 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1xsb s LEU 34 CO 0.03 0.39 0.49 -1.58 0.23 0.00 0.00 176.35 175.91 1xsb s GLN 35 N -0.92 4.13 0.45 1.70 0.74 1.21 -2.26 119.66 124.71 1xsb s GLN 35 Ca 0.14 0.33 -0.24 0.00 0.05 0.00 0.00 55.36 55.63 1xsb s GLN 35 Cb -0.12 -3.60 -0.09 0.00 1.10 0.00 0.00 33.01 30.31 1xsb s GLN 35 CO 0.03 -0.21 1.26 0.00 -0.55 0.00 0.00 175.29 175.82 1xsb n ALA 36 N 5.04 1.27 1.23 1.58 0.00 -0.99 -0.10 120.51 128.55 1xsb n ALA 36 Ca -0.05 0.22 0.14 0.00 0.00 0.00 0.00 53.44 53.75 1xsb n ALA 36 Cb 0.50 -2.27 0.57 0.00 0.00 0.00 0.00 19.45 18.25 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 -0.05 0.30 -4.19 0.00 3.41 0.11 -4.46 113.62 108.75 1xsb n SER 37 Ca 0.08 -0.19 -0.11 0.00 -0.26 0.00 0.00 58.87 58.38 1xsb n SER 37 Cb 0.41 -0.15 -0.10 0.00 -0.26 0.00 0.00 64.21 64.11 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 -2.71 0.25 0.00 4.04 -0.00 -1.26 -4.98 116.67 112.01 1xsb s ASP 38 Ca 0.22 -1.33 0.00 0.00 -0.00 0.00 0.00 52.55 51.44 1xsb s ASP 38 Cb 0.19 0.34 0.00 0.00 -0.00 0.00 0.00 42.92 43.46 1xsb s ASP 38 CO 0.53 -0.80 0.00 0.61 -0.00 0.00 0.00 175.17 175.51 1xsb n GLY 39 N -0.22 -1.52 0.00 0.21 0.00 -1.26 -3.42 105.19 98.99 1xsb n GLY 39 Ca -0.01 -1.33 0.04 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 -2.98 -0.61 -5.35 -1.26 -4.79 119.36 104.37 1xsb n ILE 40 Ca 0.00 0.00 -0.15 0.00 -0.27 0.00 0.00 62.75 62.33 1xsb n ILE 40 Cb 0.00 -0.48 0.04 0.00 -1.74 0.00 0.00 39.64 37.46 1xsb n ILE 40 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1xsb n HIS 41 N -0.74 -1.60 -1.19 4.28 8.25 -1.22 -4.96 115.22 118.04 1xsb n HIS 41 Ca 0.06 0.50 -0.33 0.00 -0.26 0.00 0.00 57.72 57.69 1xsb n HIS 41 Cb 0.03 -3.49 0.12 0.00 1.12 0.00 0.00 29.99 27.76 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 1.88 -0.15 4.41 -3.43 -1.26 -4.27 115.29 109.39 1xsb s HIS 42 Ca 0.29 1.65 -0.07 0.00 -0.80 0.00 0.00 55.06 56.13 1xsb s HIS 42 Cb -0.13 -3.47 -0.04 0.00 -1.43 0.00 0.00 32.58 27.51 1xsb s HIS 42 CO 0.36 -2.76 0.10 -1.58 -2.00 0.00 0.00 174.74 168.86 1xsb s TRP 43 N -2.14 3.42 0.04 0.38 0.52 -1.25 -2.34 118.94 117.57 1xsb s TRP 43 Ca 0.73 0.33 -0.18 0.00 0.02 0.00 0.00 56.10 57.00 1xsb s TRP 43 Cb -0.28 -2.02 0.04 0.00 -1.15 0.00 0.00 33.47 30.05 1xsb s TRP 43 CO 0.50 0.45 0.41 0.95 0.02 0.00 0.00 176.95 179.27 1xsb s THR 44 N -0.29 0.06 0.64 2.01 -4.23 -0.96 -4.36 115.64 108.50 1xsb s THR 44 Ca 0.10 -0.46 -0.15 0.00 -1.18 0.00 0.00 61.69 60.00 1xsb s THR 44 Cb -0.12 -0.95 -0.01 0.00 1.34 0.00 0.00 72.50 72.76 1xsb s THR 44 CO 0.01 -0.26 1.08 -2.16 -0.54 0.00 0.00 174.62 172.76 1xsb s PRO 45 N -2.46 3.03 -0.90 3.99 0.04 -1.26 -2.49 135.00 134.95 1xsb s PRO 45 Ca -0.05 1.26 -0.23 0.00 0.04 0.00 0.00 61.00 62.02 1xsb s PRO 45 Cb -0.01 -1.99 -0.23 0.00 0.04 0.00 0.00 34.50 32.31 1xsb s PRO 45 CO -0.02 -1.05 2.45 -2.30 0.04 0.00 0.00 177.00 176.11 1xsb n PRO 46 N -2.35 0.22 -3.86 0.56 -0.02 -1.26 -4.77 135.00 123.53 1xsb n PRO 46 Ca 0.09 -0.10 -0.36 0.00 -2.02 0.00 0.00 63.50 61.11 1xsb n PRO 46 Cb 0.53 -1.89 -0.06 0.00 -0.02 0.00 0.00 33.50 32.06 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 8.24 3.48 0.32 -0.52 1.02 -1.26 -2.71 119.74 128.31 1xsb s LYS 47 Ca 1.24 -0.14 -0.02 0.00 0.02 0.00 0.00 55.97 57.07 1xsb s LYS 47 Cb -0.83 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 33.31 1xsb s LYS 47 CO 0.43 0.74 0.42 0.20 -0.92 0.00 0.00 175.35 176.23 1xsb s GLY 48 N -1.28 1.53 -0.20 -3.33 0.00 -1.11 -4.97 107.32 97.97 1xsb s GLY 48 Ca 0.19 -1.56 -0.03 0.00 0.00 0.00 0.00 44.72 43.32 1xsb s GLY 48 CO 0.09 -1.06 -0.05 -1.58 0.00 0.00 0.00 173.10 170.49 1xsb s HIS 49 N -3.25 2.95 0.21 1.90 2.46 -1.26 -2.28 115.29 116.02 1xsb s HIS 49 Ca 0.32 -0.76 -0.30 0.00 0.47 0.00 0.00 55.06 54.79 1xsb s HIS 49 Cb 0.00 -2.04 -0.08 0.00 -0.13 0.00 0.00 32.58 30.33 1xsb s HIS 49 CO 0.20 -0.40 1.11 0.54 -2.47 0.00 0.00 174.74 173.72 1xsb s VAL 50 N 1.11 3.71 0.62 0.89 0.11 -1.23 -4.94 120.40 120.67 1xsb s VAL 50 Ca 0.01 1.54 -0.10 0.00 -2.93 0.00 0.00 61.98 60.50 1xsb s VAL 50 Cb -0.15 -3.98 0.15 0.00 -1.53 0.00 0.00 36.38 30.87 1xsb s VAL 50 CO -0.00 0.30 0.61 1.21 -3.33 0.00 0.00 175.10 173.88 1xsb n GLU 51 N 2.00 -1.77 0.00 1.54 4.07 -1.26 -4.89 120.64 120.33 1xsb n GLU 51 Ca 0.02 -0.97 0.00 0.00 -0.06 0.00 0.00 57.16 56.15 1xsb n GLU 51 Cb 0.45 -0.83 0.00 0.00 -0.06 0.00 0.00 31.44 31.00 1xsb n GLU 51 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1xsb n PRO 52 N -3.07 0.00 0.00 5.31 -0.04 -1.26 -3.62 135.00 132.32 1xsb n PRO 52 Ca 0.08 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 64.00 1xsb n PRO 52 Cb 0.31 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.65 1xsb n PRO 52 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xsb n GLY 53 N 1.05 0.84 3.88 0.55 0.00 -1.26 -4.80 105.19 105.45 1xsb n GLY 53 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.23 3.74 0.72 1.61 2.12 -1.24 -5.07 118.70 119.35 1xsb s GLU 54 Ca 0.00 0.17 -0.11 0.00 0.36 0.00 0.00 54.97 55.39 1xsb s GLU 54 Cb 0.00 -2.68 0.02 0.00 0.26 0.00 0.00 34.13 31.73 1xsb s GLU 54 CO 0.00 0.33 1.07 0.34 -0.54 0.00 0.00 175.26 176.46 1xsb s ASP 55 N -2.49 5.16 -0.08 -1.70 2.15 -1.26 -4.73 116.67 113.71 1xsb s ASP 55 Ca 0.46 1.55 -0.22 0.00 0.43 0.00 0.00 52.55 54.77 1xsb s ASP 55 Cb -0.11 -2.39 -0.18 0.00 -0.30 0.00 0.00 42.92 39.94 1xsb s ASP 55 CO 0.23 -1.58 0.79 0.44 -0.17 0.00 0.00 175.17 174.88 1xsb h ASP 56 N -0.81 -0.08 -0.38 -0.34 3.32 -1.97 -3.02 116.42 113.14 1xsb h ASP 56 Ca -0.45 -0.53 -0.06 0.00 0.02 0.00 0.00 57.03 56.01 1xsb h ASP 56 Cb 1.22 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1xsb h ASP 56 CO 0.57 0.59 -0.00 0.25 -1.72 0.00 0.00 179.24 178.93 1xsb h LEU 57 N -0.87 0.67 -0.99 1.55 5.85 -1.97 -2.77 115.31 116.78 1xsb h LEU 57 Ca -0.01 -0.31 0.15 0.00 0.84 0.00 0.00 57.88 58.55 1xsb h LEU 57 Cb 0.61 -0.18 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 1xsb h LEU 57 CO 0.02 0.82 0.60 -0.33 -0.34 0.00 0.00 178.44 179.21 1xsb h GLU 58 N 0.50 0.83 -0.68 1.25 3.07 -1.97 0.56 114.58 118.14 1xsb h GLU 58 Ca 0.11 -0.05 0.02 0.00 -0.50 0.00 0.00 59.36 58.94 1xsb h GLU 58 Cb 0.48 -0.19 -0.04 0.00 -0.84 0.00 0.00 28.75 28.16 1xsb h GLU 58 CO 0.02 0.55 0.44 1.15 -1.40 0.00 0.00 179.01 179.77 1xsb h THR 59 N 0.86 1.12 -0.53 1.13 2.02 -1.35 1.16 112.91 117.31 1xsb h THR 59 Ca 0.53 -0.30 -0.05 0.00 0.77 0.00 0.00 66.41 67.36 1xsb h THR 59 Cb 0.69 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1xsb h THR 59 CO -0.33 0.16 0.13 0.00 0.37 0.00 0.00 175.52 175.85 1xsb h ALA 60 N 1.28 0.69 0.18 6.16 0.00 -0.18 0.55 119.26 127.94 1xsb h ALA 60 Ca 0.27 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xsb h ALA 60 Cb -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1xsb h ALA 60 CO -0.09 0.39 -0.09 -0.07 0.00 0.00 0.00 179.25 179.39 1xsb h LEU 61 N 0.74 -0.21 -0.59 0.00 3.38 0.14 1.01 115.31 119.78 1xsb h LEU 61 Ca 0.16 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xsb h LEU 61 Cb 0.34 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1xsb h LEU 61 CO 0.00 -0.13 0.35 -0.09 0.09 0.00 0.00 178.44 178.66 1xsb h ARG 62 N -0.26 0.81 -0.28 1.13 2.43 0.15 -2.08 114.38 116.29 1xsb h ARG 62 Ca -0.02 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 58.96 1xsb h ARG 62 Cb 0.20 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1xsb h ARG 62 CO 0.04 0.59 -0.27 0.00 -1.51 0.00 0.00 179.97 178.82 1xsb h ALA 63 N 1.17 1.01 -0.46 2.80 0.00 0.47 0.43 119.26 124.68 1xsb h ALA 63 Ca 0.21 -0.37 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1xsb h ALA 63 Cb -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1xsb h ALA 63 CO -0.04 0.59 0.27 1.15 0.00 0.00 0.00 179.25 181.22 1xsb h THR 64 N 0.48 1.03 0.24 0.00 2.02 0.17 0.58 112.91 117.44 1xsb h THR 64 Ca 0.07 -0.18 -0.33 0.00 0.77 0.00 0.00 66.41 66.73 1xsb h THR 64 Cb 0.73 0.45 0.04 0.00 -1.74 0.00 0.00 68.15 67.62 1xsb h THR 64 CO 0.06 0.10 -1.46 -0.61 0.37 0.00 0.00 175.52 173.98 1xsb h GLN 65 N 0.54 0.53 -0.64 6.66 4.15 -0.33 0.12 115.11 126.14 1xsb h GLN 65 Ca 0.19 -0.90 -0.03 0.00 0.77 0.00 0.00 58.65 58.68 1xsb h GLN 65 Cb 0.03 0.33 -0.03 0.00 0.21 0.00 0.00 27.48 28.02 1xsb h GLN 65 CO -0.09 1.43 0.29 0.93 -1.93 0.00 0.00 178.83 179.46 1xsb h GLU 66 N 0.15 0.92 0.00 1.69 4.39 -0.75 3.39 114.58 124.37 1xsb h GLU 66 Ca -0.25 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.32 1xsb h GLU 66 Cb 2.15 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 30.63 1xsb h GLU 66 CO 0.27 0.73 -1.02 0.39 -1.16 0.00 0.00 179.01 178.22 1xsb n GLU 67 N -4.33 0.08 0.00 2.33 -0.58 0.18 -4.24 120.64 114.08 1xsb n GLU 67 Ca 0.06 -0.02 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1xsb n GLU 67 Cb 0.15 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.51 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 -1.59 0.66 -0.25 0.62 0.00 0.37 -3.87 120.51 116.45 1xsb n ALA 68 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1xsb n ALA 68 Cb 0.36 0.02 0.00 0.00 0.00 0.00 0.00 19.45 19.83 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 0.67 0.96 3.62 0.00 0.00 1.12 0.53 105.19 112.10 1xsb n GLY 69 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1xsb n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsb s ILE 70 N -2.68 5.09 0.40 -0.61 1.01 -1.21 -4.74 121.20 118.46 1xsb s ILE 70 Ca 0.00 0.09 0.07 0.00 0.00 0.00 0.00 60.65 60.81 1xsb s ILE 70 Cb 0.00 -3.36 -0.07 0.00 0.01 0.00 0.00 42.46 39.04 1xsb s ILE 70 CO 0.00 0.36 0.08 -0.70 0.00 0.00 0.00 174.94 174.67 1xsb s GLU 71 N 1.07 2.08 0.44 2.79 2.12 -1.26 -0.63 118.70 125.31 1xsb s GLU 71 Ca 0.06 -1.96 0.27 0.00 0.36 0.00 0.00 54.97 53.71 1xsb s GLU 71 Cb -0.14 -1.81 1.32 0.00 0.26 0.00 0.00 34.13 33.75 1xsb s GLU 71 CO 0.04 -0.05 1.72 0.00 -0.54 0.00 0.00 175.26 176.43 1xsb h ALA 72 N 1.64 2.62 0.00 6.30 0.00 -1.85 3.28 119.26 131.25 1xsb h ALA 72 Ca -0.43 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1xsb h ALA 72 Cb 1.25 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1xsb h ALA 72 CO 0.75 -1.10 -0.07 0.78 0.00 0.00 0.00 179.25 179.61 1xsb h GLY 73 N 0.20 0.00 -0.15 0.00 0.00 -1.98 -2.11 103.07 99.03 1xsb h GLY 73 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.01 1xsb h GLY 73 CO -0.28 0.00 -0.77 -1.06 0.00 0.00 0.00 176.54 174.42 1xsb n GLN 74 N -3.62 1.10 -3.39 4.80 6.02 1.07 -4.99 117.38 118.38 1xsb n GLN 74 Ca -0.02 -0.16 -0.15 0.00 -0.01 0.00 0.00 57.00 56.66 1xsb n GLN 74 Cb 0.18 -1.36 -0.04 0.00 1.02 0.00 0.00 30.24 30.04 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 -1.19 0.00 -3.81 1.08 -0.00 -0.09 -0.48 117.00 112.52 1xsb n LEU 75 Ca 0.04 -1.80 -0.29 0.00 -0.00 0.00 0.00 56.01 53.97 1xsb n LEU 75 Cb 0.30 0.57 -0.16 0.00 -0.00 0.00 0.00 43.42 44.13 1xsb n LEU 75 CO 0.34 -0.28 -0.38 -0.89 -0.00 0.00 0.00 177.39 176.19 1xsb s THR 76 N -2.40 0.96 0.03 1.47 2.01 0.11 -4.75 115.64 113.06 1xsb s THR 76 Ca 0.11 -0.95 -0.30 0.00 0.31 0.00 0.00 61.69 60.85 1xsb s THR 76 Cb 0.01 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 71.04 1xsb s THR 76 CO 0.08 -0.26 1.24 -0.63 -0.69 0.00 0.00 174.62 174.36 1xsb s ILE 77 N 1.64 4.00 0.20 1.82 -1.09 -1.26 -1.66 121.20 124.85 1xsb s ILE 77 Ca -0.01 1.41 -0.20 0.00 -2.23 0.00 0.00 60.65 59.62 1xsb s ILE 77 Cb -0.18 -3.90 -0.08 0.00 -1.58 0.00 0.00 42.46 36.72 1xsb s ILE 77 CO -0.10 0.07 0.72 -0.63 -1.23 0.00 0.00 174.94 173.77 1xsb s ILE 78 N 1.51 4.55 0.12 2.92 1.09 0.15 -4.97 121.20 126.57 1xsb s ILE 78 Ca 0.59 1.34 0.04 0.00 -1.10 0.00 0.00 60.65 61.52 1xsb s ILE 78 Cb -0.29 -3.91 -0.04 0.00 -1.06 0.00 0.00 42.46 37.17 1xsb s ILE 78 CO 0.27 0.28 0.12 -1.61 -0.10 0.00 0.00 174.94 173.90 1xsb s GLU 79 N -1.78 2.94 0.00 2.79 2.02 -1.26 -4.44 118.70 118.96 1xsb s GLU 79 Ca 0.41 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.65 1xsb s GLU 79 Cb -0.18 -2.72 0.00 0.00 0.10 0.00 0.00 34.13 31.34 1xsb s GLU 79 CO 0.22 0.53 0.00 0.41 0.02 0.00 0.00 175.26 176.44 1xsb n GLY 80 N 0.06 2.44 3.43 -1.39 0.00 -1.26 -5.04 105.19 103.43 1xsb n GLY 80 Ca -0.08 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 -2.41 3.00 -0.24 1.61 2.19 -1.26 -5.08 117.98 115.78 1xsb s PHE 81 Ca 0.00 -0.51 -0.17 0.00 0.33 0.00 0.00 56.93 56.58 1xsb s PHE 81 Cb 0.00 -2.04 0.07 0.00 -1.31 0.00 0.00 43.02 39.74 1xsb s PHE 81 CO 0.00 -0.23 0.62 0.21 1.83 0.00 0.00 175.22 177.64 1xsb s LYS 82 N 0.86 0.66 0.13 10.12 2.20 -1.26 -4.59 119.74 127.87 1xsb s LYS 82 Ca -0.00 1.01 -0.25 0.00 -0.36 0.00 0.00 55.97 56.37 1xsb s LYS 82 Cb -0.14 0.20 0.07 0.00 -1.51 0.00 0.00 37.83 36.44 1xsb s LYS 82 CO 0.02 -0.13 0.82 -0.98 -0.36 0.00 0.00 175.35 174.72 1xsb s ARG 83 N 1.07 1.21 0.01 4.03 1.70 -1.25 -5.03 118.95 120.68 1xsb s ARG 83 Ca -0.06 -0.57 0.02 0.00 -0.47 0.00 0.00 55.73 54.65 1xsb s ARG 83 Cb -0.05 0.47 -0.01 0.00 -0.57 0.00 0.00 34.95 34.79 1xsb s ARG 83 CO -0.10 -0.54 -0.06 -1.83 -1.08 0.00 0.00 175.30 171.68 1xsb s GLU 84 N -3.45 0.45 -0.16 3.89 1.03 -1.25 -0.98 118.70 118.23 1xsb s GLU 84 Ca 0.07 -0.33 -0.18 0.00 0.03 0.00 0.00 54.97 54.56 1xsb s GLU 84 Cb -0.02 -0.38 -0.04 0.00 -0.80 0.00 0.00 34.13 32.89 1xsb s GLU 84 CO -0.03 0.10 0.48 -0.51 -1.33 0.00 0.00 175.26 173.96 1xsb s LEU 85 N -0.50 4.21 -0.12 1.83 1.43 0.23 -4.74 118.68 121.02 1xsb s LEU 85 Ca -0.01 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 53.83 1xsb s LEU 85 Cb -0.04 -2.66 0.01 0.00 0.03 0.00 0.00 46.19 43.52 1xsb s LEU 85 CO -0.00 -0.08 -0.21 0.20 0.23 0.00 0.00 176.35 176.50 1xsb s ASN 86 N 0.88 2.92 -0.12 2.29 0.01 -1.26 -0.59 114.94 119.07 1xsb s ASN 86 Ca 0.24 -0.55 -0.30 0.00 -0.71 0.00 0.00 52.86 51.54 1xsb s ASN 86 Cb -0.15 -1.34 0.11 0.00 0.41 0.00 0.00 41.25 40.28 1xsb s ASN 86 CO 0.09 0.09 0.92 -0.72 -1.51 0.00 0.00 177.10 175.97 1xsb s TYR 87 N 0.71 -0.43 -0.33 2.20 -0.85 -1.21 -4.92 117.35 112.52 1xsb s TYR 87 Ca -0.11 0.69 -0.09 0.00 -0.52 0.00 0.00 57.07 57.05 1xsb s TYR 87 Cb -0.16 0.45 0.02 0.00 0.38 0.00 0.00 41.96 42.65 1xsb s TYR 87 CO 0.01 -0.42 0.14 0.54 -1.52 0.00 0.00 175.55 174.30 1xsb s VAL 88 N -1.35 4.26 0.00 -3.49 0.11 -1.26 -0.93 120.40 117.74 1xsb s VAL 88 Ca -0.03 -0.78 0.00 0.00 -2.93 0.00 0.00 61.98 58.24 1xsb s VAL 88 Cb -0.00 -3.29 0.00 0.00 -1.53 0.00 0.00 36.38 31.55 1xsb s VAL 88 CO 0.02 -0.08 0.00 0.00 -3.33 0.00 0.00 175.10 171.71 1xsb n ALA 89 N 4.92 0.00 -0.03 1.54 0.00 -1.11 -4.62 120.51 121.21 1xsb n ALA 89 Ca -0.13 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.23 1xsb n ALA 89 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.89 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 -0.05 0.00 0.00 2.43 -2.03 -3.42 114.38 111.31 1xsb h ARG 90 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1xsb h ARG 90 Cb 0.00 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1xsb h ARG 90 CO 0.00 -0.03 0.00 -1.71 -1.51 0.00 0.00 179.97 176.72 1xsb n ASN 91 N -5.23 0.00 -3.96 -3.80 5.15 -1.26 -5.13 115.26 101.03 1xsb n ASN 91 Ca -0.02 -0.24 -0.19 0.00 -0.60 0.00 0.00 54.58 53.53 1xsb n ASN 91 Cb 0.15 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.25 1xsb n ASN 91 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1xsb s LYS 92 N 0.00 0.81 0.28 1.20 -2.85 -1.26 -5.06 119.74 112.86 1xsb s LYS 92 Ca 0.00 -0.22 -0.29 0.00 -1.00 0.00 0.00 55.97 54.46 1xsb s LYS 92 Cb 0.00 -0.78 -0.09 0.00 -2.06 0.00 0.00 37.83 34.90 1xsb s LYS 92 CO 0.00 0.06 1.02 -1.25 0.10 0.00 0.00 175.35 175.28 1xsb s PRO 93 N 0.34 4.67 -0.09 1.78 0.04 -1.26 -2.76 135.00 137.73 1xsb s PRO 93 Ca -0.05 1.63 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 1xsb s PRO 93 Cb -0.09 -3.14 0.03 0.00 0.04 0.00 0.00 34.50 31.34 1xsb s PRO 93 CO 0.00 0.30 -0.04 0.21 0.04 0.00 0.00 177.00 177.51 1xsb s LYS 94 N -1.49 1.07 -0.18 4.56 2.20 -0.11 -2.14 119.74 123.65 1xsb s LYS 94 Ca 0.45 -0.08 -0.20 0.00 -0.36 0.00 0.00 55.97 55.78 1xsb s LYS 94 Cb -0.28 -1.27 -0.03 0.00 -1.51 0.00 0.00 37.83 34.74 1xsb s LYS 94 CO 0.35 -0.28 0.58 0.99 -0.36 0.00 0.00 175.35 176.64 1xsb s THR 95 N 1.80 5.07 -0.19 3.43 2.01 -0.81 -3.30 115.64 123.64 1xsb s THR 95 Ca 0.04 1.09 -0.00 0.00 0.31 0.00 0.00 61.69 63.13 1xsb s THR 95 Cb -0.12 -3.90 0.01 0.00 0.01 0.00 0.00 72.50 68.50 1xsb s THR 95 CO -0.06 0.16 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.18 1xsb s VAL 96 N 1.62 2.43 -0.20 3.82 1.01 0.24 -0.32 120.40 129.00 1xsb s VAL 96 Ca 0.27 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.30 1xsb s VAL 96 Cb -0.16 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1xsb s VAL 96 CO 0.11 0.50 0.29 -0.63 0.00 0.00 0.00 175.10 175.37 1xsb s ILE 97 N 1.34 5.28 -0.12 2.22 -1.09 -0.88 0.76 121.20 128.72 1xsb s ILE 97 Ca 0.05 0.50 0.01 0.00 -2.23 0.00 0.00 60.65 58.98 1xsb s ILE 97 Cb -0.13 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.11 1xsb s ILE 97 CO -0.10 0.32 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.46 1xsb s TYR 98 N 0.96 2.72 -0.02 3.97 2.02 -0.15 -2.41 117.35 124.44 1xsb s TYR 98 Ca 0.15 -0.74 0.04 0.00 -0.37 0.00 0.00 57.07 56.15 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 -0.25 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.06 1xsb s TRP 99 N 0.29 2.71 0.25 2.71 0.51 -1.26 -3.88 118.94 120.27 1xsb s TRP 99 Ca -0.12 -0.15 -0.30 0.00 -2.12 0.00 0.00 56.10 53.41 1xsb s TRP 99 Cb -0.16 -1.59 -0.09 0.00 -0.81 0.00 0.00 33.47 30.81 1xsb s TRP 99 CO 0.06 0.24 1.07 -0.51 -0.51 0.00 0.00 176.95 177.30 1xsb s LEU 100 N -1.00 4.56 0.05 2.99 1.43 -1.26 -2.06 118.68 123.38 1xsb s LEU 100 Ca 0.13 2.17 -0.00 0.00 -1.03 0.00 0.00 54.13 55.40 1xsb s LEU 100 Cb -0.11 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1xsb s LEU 100 CO 0.03 -0.10 -0.04 0.00 0.23 0.00 0.00 176.35 176.47 1xsb s ALA 101 N -0.97 0.48 -0.10 4.21 0.00 0.10 0.32 121.76 125.80 1xsb s ALA 101 Ca 0.45 -1.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.37 1xsb s ALA 101 Cb -0.30 0.21 0.02 0.00 0.00 0.00 0.00 23.12 23.05 1xsb s ALA 101 CO 0.38 -0.27 -0.07 -2.00 0.00 0.00 0.00 175.76 173.80 1xsb s GLU 102 N -3.11 1.40 0.07 0.00 2.12 -0.67 0.33 118.70 118.84 1xsb s GLU 102 Ca 0.01 -0.21 -0.30 0.00 0.36 0.00 0.00 54.97 54.82 1xsb s GLU 102 Cb 0.02 -1.48 -0.05 0.00 0.26 0.00 0.00 34.13 32.88 1xsb s GLU 102 CO -0.06 -0.25 1.07 0.14 -0.54 0.00 0.00 175.26 175.62 1xsb s VAL 103 N 1.65 4.36 0.22 3.70 -7.23 -1.26 0.06 120.40 121.90 1xsb s VAL 103 Ca 0.03 1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 61.89 1xsb s VAL 103 Cb -0.13 -4.14 0.17 0.00 0.56 0.00 0.00 36.38 32.85 1xsb s VAL 103 CO -0.07 0.18 1.87 0.11 -0.31 0.00 0.00 175.10 176.89 1xsb h LYS 104 N 6.35 0.98 -5.76 4.82 1.57 -1.11 -3.43 116.57 119.99 1xsb h LYS 104 Ca -0.42 -0.06 -0.67 0.00 -1.87 0.00 0.00 60.65 57.63 1xsb h LYS 104 Cb 1.22 -0.22 -0.12 0.00 0.08 0.00 0.00 32.23 33.18 1xsb h LYS 104 CO 0.76 0.65 -0.56 0.34 -0.57 0.00 0.00 179.45 180.07 1xsb s ASP 105 N -5.85 5.70 0.13 0.86 3.68 -1.26 -4.99 116.67 114.94 1xsb s ASP 105 Ca -0.13 0.25 -0.14 0.00 2.13 0.00 0.00 52.55 54.67 1xsb s ASP 105 Cb 0.16 -1.76 -0.03 0.00 -1.45 0.00 0.00 42.92 39.85 1xsb s ASP 105 CO 0.78 0.36 1.53 0.22 0.13 0.00 0.00 175.17 178.19 1xsb h TYR 106 N 5.30 0.87 -0.27 -5.34 3.20 -2.01 -1.56 116.97 117.16 1xsb h TYR 106 Ca -0.50 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.18 1xsb h TYR 106 Cb 1.20 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.26 1xsb h TYR 106 CO 0.67 0.90 0.00 -0.40 -1.64 0.00 0.00 178.16 177.69 1xsb n ASP 107 N -4.33 2.20 -4.34 -2.11 3.85 -1.26 -4.94 116.55 105.62 1xsb n ASP 107 Ca -0.01 -2.17 -0.44 0.00 -0.71 0.00 0.00 54.79 51.45 1xsb n ASP 107 Cb 0.37 -0.37 -0.01 0.00 -1.35 0.00 0.00 41.12 39.75 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 0.31 1.18 -1.82 2.12 3.14 -0.59 -4.76 118.33 117.91 1xsb n VAL 108 Ca 0.11 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.59 1xsb n VAL 108 Cb 0.43 -0.03 0.02 0.00 -1.06 0.00 0.00 33.84 33.20 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 -1.03 3.54 -0.32 1.45 -1.05 -1.26 -4.99 118.70 115.05 1xsb s GLU 109 Ca 0.61 2.33 0.02 0.00 -0.15 0.00 0.00 54.97 57.78 1xsb s GLU 109 Cb -0.74 -2.54 0.09 0.00 -0.44 0.00 0.00 34.13 30.51 1xsb s GLU 109 CO 0.60 -0.90 0.05 0.42 0.95 0.00 0.00 175.26 176.38 1xsb s ILE 110 N -1.24 1.76 -0.35 1.83 -1.09 -1.24 -4.33 121.20 116.53 1xsb s ILE 110 Ca 0.64 -1.91 -0.13 0.00 -2.23 0.00 0.00 60.65 57.01 1xsb s ILE 110 Cb -0.42 -2.27 -0.01 0.00 -1.58 0.00 0.00 42.46 38.18 1xsb s ILE 110 CO 0.53 -0.55 0.25 -0.13 -1.23 0.00 0.00 174.94 173.81 1xsb s ARG 111 N 1.18 3.43 -0.13 2.79 3.00 2.09 -4.89 118.95 126.41 1xsb s ARG 111 Ca 0.08 -0.68 -0.09 0.00 0.00 0.00 0.00 55.73 55.04 1xsb s ARG 111 Cb -0.18 -3.83 -0.04 0.00 0.00 0.00 0.00 34.95 30.89 1xsb s ARG 111 CO -0.13 -0.49 0.17 -0.51 0.00 0.00 0.00 175.30 174.34 1xsb s LEU 112 N 1.73 4.35 0.75 2.53 1.43 -1.25 -0.67 118.68 127.54 1xsb s LEU 112 Ca 0.06 0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 53.58 1xsb s LEU 112 Cb -0.18 -2.13 0.13 0.00 0.03 0.00 0.00 46.19 44.04 1xsb s LEU 112 CO 0.11 0.33 1.03 -0.94 0.23 0.00 0.00 176.35 177.11 1xsb s SER 113 N -0.62 4.23 0.49 2.29 1.04 -1.26 -4.85 113.70 115.03 1xsb s SER 113 Ca 0.14 -0.20 0.27 0.00 0.48 0.00 0.00 55.95 56.64 1xsb s SER 113 Cb -0.12 -0.17 1.34 0.00 0.10 0.00 0.00 66.02 67.17 1xsb s SER 113 CO 0.03 -1.95 1.86 -0.74 0.98 0.00 0.00 173.24 173.43 1xsb h HIS 114 N -0.67 0.22 -0.15 5.02 2.76 -1.98 0.51 115.15 120.85 1xsb h HIS 114 Ca -0.38 0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 57.79 1xsb h HIS 114 Cb 1.27 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 30.15 1xsb h HIS 114 CO -0.28 0.04 0.07 0.93 -1.30 0.00 0.00 177.93 177.39 1xsb h GLU 115 N 0.15 0.20 -6.31 5.26 5.08 -1.95 -3.38 114.58 113.63 1xsb h GLU 115 Ca 0.47 -0.02 -0.58 0.00 -1.00 0.00 0.00 59.36 58.23 1xsb h GLU 115 Cb 1.60 -0.04 -0.22 0.00 0.50 0.00 0.00 28.75 30.59 1xsb h GLU 115 CO -0.09 0.16 -0.84 -1.01 -1.00 0.00 0.00 179.01 176.24 1xsb s HIS 116 N -5.16 1.89 -0.00 4.33 3.76 0.18 -0.71 115.29 119.57 1xsb s HIS 116 Ca -0.06 -0.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.44 1xsb s HIS 116 Cb 0.17 -1.04 -0.00 0.00 1.11 0.00 0.00 32.58 32.82 1xsb s HIS 116 CO 0.70 0.23 0.00 0.00 -0.85 0.00 0.00 174.74 174.81 1xsb n GLN 117 N 1.09 2.70 -3.79 1.40 10.64 0.86 -3.98 117.38 126.31 1xsb n GLN 117 Ca -0.19 -0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 54.88 1xsb n GLN 117 Cb 0.53 -1.00 -0.07 0.00 -0.86 0.00 0.00 30.24 28.84 1xsb n GLN 117 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1xsb s ALA 118 N -2.01 -0.49 0.07 2.61 0.00 -1.23 -4.96 121.76 115.75 1xsb s ALA 118 Ca -0.00 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.69 1xsb s ALA 118 Cb 0.00 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.50 1xsb s ALA 118 CO 0.01 -0.47 -0.06 1.52 0.00 0.00 0.00 175.76 176.76 1xsb s TYR 119 N -3.18 0.71 0.03 0.00 1.13 -1.26 0.38 117.35 115.16 1xsb s TYR 119 Ca -0.00 -0.82 0.01 0.00 -1.41 0.00 0.00 57.07 54.84 1xsb s TYR 119 Cb 0.01 -0.44 -0.02 0.00 -1.10 0.00 0.00 41.96 40.42 1xsb s TYR 119 CO -0.07 -0.18 -0.05 1.03 -2.51 0.00 0.00 175.55 173.77 1xsb s ARG 120 N -3.14 0.39 -0.39 -3.49 0.52 -0.76 -4.96 118.95 107.12 1xsb s ARG 120 Ca 0.04 -0.66 -0.10 0.00 -0.52 0.00 0.00 55.73 54.49 1xsb s ARG 120 Cb 0.01 -0.03 0.05 0.00 0.52 0.00 0.00 34.95 35.49 1xsb s ARG 120 CO -0.04 -0.01 0.21 -1.58 0.02 0.00 0.00 175.30 173.90 1xsb s TRP 121 N -1.43 3.28 0.36 -0.53 0.52 -1.26 -3.03 118.94 116.85 1xsb s TRP 121 Ca -0.14 -1.24 0.03 0.00 0.02 0.00 0.00 56.10 54.78 1xsb s TRP 121 Cb -0.10 -2.60 -0.04 0.00 -1.15 0.00 0.00 33.47 29.57 1xsb s TRP 121 CO -0.00 -0.74 0.09 -0.51 0.02 0.00 0.00 176.95 175.81 1xsb s LEU 122 N 1.49 2.05 0.00 2.99 1.02 -1.24 -4.92 118.68 120.06 1xsb s LEU 122 Ca 0.02 -1.51 -0.07 0.00 0.02 0.00 0.00 54.13 52.58 1xsb s LEU 122 Cb -0.21 -0.23 0.13 0.00 0.02 0.00 0.00 46.19 45.90 1xsb s LEU 122 CO 0.04 -0.77 0.80 0.61 0.02 0.00 0.00 176.35 177.06 1xsb n GLY 123 N -0.78 -0.73 0.35 -3.19 0.00 -1.26 -1.28 105.19 98.30 1xsb n GLY 123 Ca -0.04 -1.79 -0.02 0.00 0.00 0.00 0.00 46.02 44.16 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 0.37 0.99 5.85 -1.96 0.38 115.31 121.97 1xsb h LEU 124 Ca -0.26 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 1xsb h LEU 124 Cb 0.78 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 1xsb h LEU 124 CO 0.21 0.74 -0.28 1.05 -0.34 0.00 0.00 178.44 179.81 1xsb h GLU 125 N 1.22 -0.63 -0.20 1.25 4.11 -1.96 0.77 114.58 119.13 1xsb h GLU 125 Ca 0.34 0.04 -0.08 0.00 0.07 0.00 0.00 59.36 59.73 1xsb h GLU 125 Cb -0.10 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1xsb h GLU 125 CO -0.09 -0.42 -0.19 0.93 0.07 0.00 0.00 179.01 179.31 1xsb h GLU 126 N -0.65 0.49 -0.75 1.06 3.07 -1.88 0.56 114.58 116.48 1xsb h GLU 126 Ca -0.03 -0.26 0.12 0.00 -0.50 0.00 0.00 59.36 58.69 1xsb h GLU 126 Cb 0.57 0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.43 1xsb h GLU 126 CO -0.00 0.83 0.49 0.00 -1.40 0.00 0.00 179.01 178.93 1xsb h ALA 127 N 0.65 1.94 -0.02 3.43 0.00 -0.10 0.67 119.26 125.83 1xsb h ALA 127 Ca 0.03 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.69 1xsb h ALA 127 Cb 0.74 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.43 1xsb h ALA 127 CO 0.05 -0.12 -0.96 0.00 0.00 0.00 0.00 179.25 178.21 1xsb h GLN 129 N 0.36 0.34 -0.31 0.00 -0.00 0.35 -3.10 115.11 112.74 1xsb h GLN 129 Ca -0.10 -0.09 -0.08 0.00 -0.00 0.00 0.00 58.65 58.37 1xsb h GLN 129 Cb 1.61 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 29.04 1xsb h GLN 129 CO 0.18 0.50 -0.13 -0.07 -0.00 0.00 0.00 178.83 179.32 1xsb h LEU 130 N 0.12 0.66 -4.68 0.06 3.38 0.11 -3.10 115.31 111.86 1xsb h LEU 130 Ca 0.06 -0.40 -0.38 0.00 0.09 0.00 0.00 57.88 57.25 1xsb h LEU 130 Cb 0.33 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1xsb h LEU 130 CO 0.01 0.90 1.74 0.00 0.09 0.00 0.00 178.44 181.18 1xsb n ALA 131 N -2.44 6.18 -0.47 1.53 0.00 -0.26 -3.96 120.51 121.09 1xsb n ALA 131 Ca -0.03 -2.36 0.38 0.00 0.00 0.00 0.00 53.44 51.43 1xsb n ALA 131 Cb 0.37 -2.82 0.61 0.00 0.00 0.00 0.00 19.45 17.61 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 3.22 -0.02 -1.68 0.00 0.00 -1.17 -3.76 117.38 113.97 1xsb n GLN 132 Ca 0.54 1.01 -0.47 0.00 0.00 0.00 0.00 57.00 58.08 1xsb n GLN 132 Cb 0.47 -2.10 -0.04 0.00 0.00 0.00 0.00 30.24 28.57 1xsb n GLN 132 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1xsb n PHE 133 N -4.14 2.35 -0.06 2.61 3.72 -1.26 -4.81 117.46 115.87 1xsb n PHE 133 Ca 0.35 -0.02 0.09 0.00 -0.05 0.00 0.00 57.45 57.82 1xsb n PHE 133 Cb 1.45 -2.67 0.47 0.00 -0.94 0.00 0.00 39.48 37.79 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 8.98 0.46 -0.57 -1.08 3.64 -1.96 -0.78 116.57 125.27 1xsb h LYS 134 Ca -0.48 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 58.91 1xsb h LYS 134 Cb 1.26 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.94 1xsb h LYS 134 CO 0.94 0.30 0.33 0.93 -2.27 0.00 0.00 179.45 179.68 1xsb h GLU 135 N 0.47 0.62 0.01 1.90 5.08 -1.89 0.39 114.58 121.16 1xsb h GLU 135 Ca 0.24 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.45 1xsb h GLU 135 Cb 0.35 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.47 1xsb h GLU 135 CO -0.07 0.41 -0.46 0.52 -1.00 0.00 0.00 179.01 178.41 1xsb h MET 136 N 0.64 0.29 -0.65 2.33 2.86 -1.59 0.84 114.93 119.64 1xsb h MET 136 Ca 0.24 -0.33 0.16 0.00 -2.06 0.00 0.00 59.70 57.70 1xsb h MET 136 Cb 0.08 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 1xsb h MET 136 CO -0.13 1.04 0.45 0.87 1.06 0.00 0.00 176.91 180.21 1xsb h LYS 137 N -0.32 0.19 0.05 1.72 1.57 -0.97 1.25 116.57 120.06 1xsb h LYS 137 Ca -0.06 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.63 1xsb h LYS 137 Cb 1.21 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.49 1xsb h LYS 137 CO 0.09 0.13 -0.34 0.00 -0.57 0.00 0.00 179.45 178.76 1xsb h ALA 138 N 1.68 -0.02 0.11 3.86 0.00 -0.02 -1.17 119.26 123.71 1xsb h ALA 138 Ca 0.32 -0.56 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1xsb h ALA 138 Cb 0.97 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1xsb h ALA 138 CO -0.06 0.15 -0.15 0.00 0.00 0.00 0.00 179.25 179.19 1xsb h ALA 139 N 0.09 -0.27 -0.16 0.00 0.00 0.30 2.89 119.26 122.11 1xsb h ALA 139 Ca -0.06 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1xsb h ALA 139 Cb 1.23 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1xsb h ALA 139 CO 0.07 -0.68 0.11 -0.07 0.00 0.00 0.00 179.25 178.67 1xsb h LEU 140 N -0.31 0.16 0.05 0.00 3.38 0.13 0.32 115.31 119.05 1xsb h LEU 140 Ca 0.02 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xsb h LEU 140 Cb 0.32 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1xsb h LEU 140 CO -0.07 0.12 -0.03 1.56 0.09 0.00 0.00 178.44 180.11 1xsb h GLN 141 N 0.19 -0.07 -0.47 1.13 1.08 0.60 -2.23 115.11 115.35 1xsb h GLN 141 Ca 0.06 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.19 1xsb h GLN 141 Cb 0.02 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 1xsb h GLN 141 CO -0.01 0.53 -0.03 0.93 -0.95 0.00 0.00 178.83 179.30 1xsb h GLU 142 N -0.77 0.80 -0.18 1.46 4.39 0.55 -0.33 114.58 120.50 1xsb h GLU 142 Ca -0.01 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 1xsb h GLU 142 Cb 0.63 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1xsb h GLU 142 CO 0.01 0.83 0.07 0.78 -1.16 0.00 0.00 179.01 179.53 1xsb h GLY 143 N 0.98 0.28 1.02 -3.84 0.00 -0.45 -1.89 103.07 99.17 1xsb h GLY 143 Ca 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 1xsb h GLY 143 CO 0.02 0.15 0.38 0.84 0.00 0.00 0.00 176.54 177.93 1xsb h HIS 144 N 0.12 1.08 -0.66 5.60 -0.00 -1.18 -1.99 115.15 118.13 1xsb h HIS 144 Ca 0.06 -0.04 0.08 0.00 -0.00 0.00 0.00 60.37 60.46 1xsb h HIS 144 Cb 0.18 -0.34 -0.06 0.00 -0.00 0.00 0.00 27.41 27.19 1xsb h HIS 144 CO -0.01 0.78 0.33 0.37 -0.00 0.00 0.00 177.93 179.41 1xsb h GLN 145 N 1.07 0.57 -0.14 5.26 5.75 -0.71 -2.47 115.11 124.44 1xsb h GLN 145 Ca 0.26 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.66 1xsb h GLN 145 Cb 0.09 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 28.51 1xsb h GLN 145 CO -0.04 0.38 -0.19 0.35 -2.65 0.00 0.00 178.83 176.68 1xsb h PHE 146 N 0.59 0.45 -0.69 3.99 3.04 -0.94 -3.01 116.94 120.37 1xsb h PHE 146 Ca 0.32 -0.15 0.20 0.00 3.98 0.00 0.00 57.97 62.31 1xsb h PHE 146 Cb 0.29 -0.09 -0.03 0.00 2.56 0.00 0.00 35.95 38.68 1xsb h PHE 146 CO -0.11 0.80 0.49 -0.07 -2.02 0.00 0.00 178.31 177.41 1xsb h LEU 147 N -0.03 0.02 -0.15 0.59 3.38 -1.06 1.53 115.31 119.60 1xsb h LEU 147 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xsb h LEU 147 Cb 0.75 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1xsb h LEU 147 CO 0.04 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1xsb n SER 149 N -2.21 0.80 0.00 0.00 7.64 0.52 -4.80 113.62 115.57 1xsb n SER 149 Ca 0.05 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.14 1xsb n SER 149 Cb 0.38 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 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 -0.74 0.00 0.00 0.44 5.41 -1.10 -5.05 119.36 118.32 1xsb n ILE 150 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.89 1xsb n ILE 150 Cb 0.31 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.24 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 0.00 0.38 -0.58 -1.26 -4.90 120.64 114.28 1xsb n GLU 151 Ca 0.00 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1xsb n GLU 151 Cb 0.00 -0.53 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsb n ALA 152 N -2.12 0.00 0.75 0.62 0.00 -1.26 -5.06 120.51 113.44 1xsb n ALA 152 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1xsb n ALA 152 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 1xsb n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39