#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsb s PRO 2 N 0.00 4.03 -0.02 1.61 0.04 -1.26 -4.35 135.00 135.05 1xsb s PRO 2 Ca 0.00 1.68 -0.00 0.00 0.04 0.00 0.00 61.00 62.72 1xsb s PRO 2 Cb 0.00 -2.55 0.00 0.00 0.04 0.00 0.00 34.50 31.99 1xsb s PRO 2 CO 0.00 -0.30 0.00 1.28 0.04 0.00 0.00 177.00 178.03 1xsb n LEU 3 N -0.12 -4.07 0.00 -3.56 4.77 -1.26 -4.98 117.00 107.78 1xsb n LEU 3 Ca 0.05 0.61 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1xsb n LEU 3 Cb 0.48 -1.68 0.00 0.00 -2.33 0.00 0.00 43.42 39.89 1xsb n LEU 3 CO 0.47 -1.86 0.00 0.61 -1.33 0.00 0.00 177.39 175.29 1xsb n GLY 4 N 1.54 2.30 0.00 -0.72 0.00 -1.26 -4.98 105.19 102.07 1xsb n GLY 4 Ca -0.01 -0.79 0.08 0.00 0.00 0.00 0.00 46.02 45.31 1xsb n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xsb n SER 5 N -0.20 0.00 -3.25 1.61 3.41 -1.26 -4.84 113.62 109.09 1xsb n SER 5 Ca 0.00 -1.23 -0.08 0.00 -0.26 0.00 0.00 58.87 57.31 1xsb n SER 5 Cb 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1xsb n SER 5 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1xsb n MET 6 N -0.80 -0.68 -1.08 4.33 0.00 -1.26 -4.78 117.12 112.84 1xsb n MET 6 Ca 0.13 -0.37 0.07 0.00 0.00 0.00 0.00 57.70 57.53 1xsb n MET 6 Cb 0.06 -0.74 -0.04 0.00 0.00 0.00 0.00 33.22 32.50 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 -2.96 -2.21 -2.88 -5.12 0.00 -1.26 -4.89 120.51 101.19 1xsb n ALA 7 Ca -0.05 0.54 -0.36 0.00 0.00 0.00 0.00 53.44 53.57 1xsb n ALA 7 Cb 0.15 -1.17 -0.06 0.00 0.00 0.00 0.00 19.45 18.38 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 -5.63 4.35 0.02 0.00 1.02 0.13 -4.95 118.68 113.61 1xsb s LEU 8 Ca 0.00 0.43 -0.22 0.00 0.02 0.00 0.00 54.13 54.36 1xsb s LEU 8 Cb 0.00 -2.18 -0.05 0.00 0.02 0.00 0.00 46.19 43.97 1xsb s LEU 8 CO 0.00 0.37 0.65 -0.60 0.02 0.00 0.00 176.35 176.79 1xsb s ARG 9 N -1.24 4.37 0.03 1.70 3.52 -1.26 -0.16 118.95 125.92 1xsb s ARG 9 Ca 0.18 0.84 -0.03 0.00 -0.13 0.00 0.00 55.73 56.59 1xsb s ARG 9 Cb -0.12 -3.34 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 1xsb s ARG 9 CO 0.07 0.36 0.02 0.00 -0.81 0.00 0.00 175.30 174.94 1xsb s ALA 10 N -0.20 0.13 -0.13 6.12 0.00 0.27 -3.51 121.76 124.44 1xsb s ALA 10 Ca 0.33 -0.71 -0.05 0.00 0.00 0.00 0.00 51.96 51.53 1xsb s ALA 10 Cb -0.19 0.21 0.06 0.00 0.00 0.00 0.00 23.12 23.20 1xsb s ALA 10 CO 0.19 -0.27 0.27 0.00 0.00 0.00 0.00 175.76 175.95 1xsb s GLY 12 N 2.03 2.88 -0.17 0.00 0.00 -1.00 -3.29 107.32 107.77 1xsb s GLY 12 Ca -0.03 -0.69 0.01 0.00 0.00 0.00 0.00 44.72 44.01 1xsb s GLY 12 CO -0.09 -2.07 -0.14 1.08 0.00 0.00 0.00 173.10 171.88 1xsb s LEU 13 N -3.78 2.02 -0.68 0.66 1.43 -1.07 -3.88 118.68 113.37 1xsb s LEU 13 Ca 0.12 -0.67 -0.25 0.00 -1.03 0.00 0.00 54.13 52.30 1xsb s LEU 13 Cb 0.02 -1.27 0.05 0.00 0.03 0.00 0.00 46.19 45.02 1xsb s LEU 13 CO 0.07 -0.08 1.11 -0.63 0.23 0.00 0.00 176.35 177.05 1xsb s ILE 14 N 1.41 4.06 -0.04 -0.59 1.01 -0.64 -4.51 121.20 121.89 1xsb s ILE 14 Ca 0.03 0.09 -0.19 0.00 0.00 0.00 0.00 60.65 60.57 1xsb s ILE 14 Cb -0.14 -4.77 -0.05 0.00 0.01 0.00 0.00 42.46 37.50 1xsb s ILE 14 CO -0.10 -1.59 0.55 -0.63 0.00 0.00 0.00 174.94 173.16 1xsb s ILE 15 N 4.82 5.01 -0.08 2.92 1.01 -1.26 0.36 121.20 133.98 1xsb s ILE 15 Ca 0.29 1.13 -0.01 0.00 0.00 0.00 0.00 60.65 62.06 1xsb s ILE 15 Cb -0.12 -3.88 0.03 0.00 0.01 0.00 0.00 42.46 38.49 1xsb s ILE 15 CO 0.14 0.40 -0.03 0.72 0.00 0.00 0.00 174.94 176.17 1xsb s PHE 16 N 0.02 0.89 -0.20 3.97 -0.71 1.50 -1.91 117.98 121.54 1xsb s PHE 16 Ca 0.29 -0.32 -0.24 0.00 -1.04 0.00 0.00 56.93 55.62 1xsb s PHE 16 Cb -0.17 -0.89 -0.01 0.00 -1.21 0.00 0.00 43.02 40.74 1xsb s PHE 16 CO 0.15 -0.35 0.81 0.50 -1.34 0.00 0.00 175.22 174.99 1xsb s ARG 17 N 1.72 4.24 -0.09 1.99 3.52 0.51 -3.83 118.95 127.01 1xsb s ARG 17 Ca 0.02 0.94 -0.18 0.00 -0.13 0.00 0.00 55.73 56.38 1xsb s ARG 17 Cb -0.13 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.61 1xsb s ARG 17 CO -0.05 -0.40 0.49 0.50 -0.81 0.00 0.00 175.30 175.03 1xsb s ARG 18 N 2.43 4.30 0.12 5.12 3.52 -1.26 -1.52 118.95 131.65 1xsb s ARG 18 Ca 0.36 0.49 0.06 0.00 -0.13 0.00 0.00 55.73 56.51 1xsb s ARG 18 Cb -0.16 -3.40 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 1xsb s ARG 18 CO 0.10 0.24 -0.02 0.00 -0.81 0.00 0.00 175.30 174.81 1xsb h LEU 20 N 3.21 -1.48 -7.00 0.00 3.38 -1.96 -3.46 115.31 108.00 1xsb h LEU 20 Ca -0.48 0.20 0.17 0.00 0.09 0.00 0.00 57.88 57.86 1xsb h LEU 20 Cb 1.18 0.60 -0.20 0.00 0.09 0.00 0.00 40.66 42.33 1xsb h LEU 20 CO 0.57 -0.43 0.68 0.27 0.09 0.00 0.00 178.44 179.62 1xsb s ILE 21 N -5.82 0.00 0.85 1.22 -5.25 -1.26 -5.09 121.20 105.86 1xsb s ILE 21 Ca -0.15 0.00 -0.10 0.00 -0.99 0.00 0.00 60.65 59.40 1xsb s ILE 21 Cb 0.09 -1.00 0.11 0.00 2.95 0.00 0.00 42.46 44.61 1xsb s ILE 21 CO 0.63 0.00 1.12 -2.84 -1.79 0.00 0.00 174.94 172.07 1xsb s PRO 22 N -2.15 1.54 0.00 0.37 0.02 -1.26 -4.89 135.00 128.63 1xsb s PRO 22 Ca 0.06 1.36 0.00 0.00 0.02 0.00 0.00 61.00 62.44 1xsb s PRO 22 Cb -0.01 -1.80 0.00 0.00 0.02 0.00 0.00 34.50 32.71 1xsb s PRO 22 CO -0.05 -2.21 0.00 1.63 -0.33 0.00 0.00 177.00 176.05 1xsb n LYS 23 N -3.93 0.00 0.00 5.54 5.02 -1.26 -5.03 118.16 118.50 1xsb n LYS 23 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1xsb n LYS 23 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xsb n VAL 24 N -1.28 0.00 -2.81 -0.18 0.31 -1.26 -4.95 118.33 108.16 1xsb n VAL 24 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 1xsb n VAL 24 Cb 0.00 -0.44 0.07 0.00 -0.91 0.00 0.00 33.84 32.56 1xsb n VAL 24 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1xsb n ASP 25 N -1.38 -1.83 -3.58 4.52 5.68 -1.26 -5.10 116.55 113.60 1xsb n ASP 25 Ca 0.00 -3.56 -0.02 0.00 -0.50 0.00 0.00 54.79 50.70 1xsb n ASP 25 Cb 0.24 1.49 -0.05 0.00 -1.14 0.00 0.00 41.12 41.66 1xsb n ASP 25 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1xsb s ASN 26 N -1.48 -0.96 0.49 -1.12 4.22 -1.26 -5.14 114.94 109.69 1xsb s ASN 26 Ca 0.26 1.33 -0.22 0.00 -2.14 0.00 0.00 52.86 52.08 1xsb s ASN 26 Cb 0.30 2.06 -0.07 0.00 1.28 0.00 0.00 41.25 44.82 1xsb s ASN 26 CO -0.07 -0.23 1.21 0.20 -2.04 0.00 0.00 177.10 176.17 1xsb s ASN 27 N 2.83 5.89 0.15 3.54 0.02 -1.26 -4.25 114.94 121.86 1xsb s ASN 27 Ca -0.01 2.40 -0.15 0.00 -1.02 0.00 0.00 52.86 54.07 1xsb s ASN 27 Cb -0.13 -2.61 0.02 0.00 0.02 0.00 0.00 41.25 38.56 1xsb s ASN 27 CO -0.18 -1.11 1.75 0.00 0.02 0.00 0.00 177.10 177.57 1xsb h ALA 28 N 1.80 0.57 -4.41 0.60 0.00 -1.91 -3.43 119.26 112.48 1xsb h ALA 28 Ca -0.50 -0.09 -0.60 0.00 0.00 0.00 0.00 54.91 53.72 1xsb h ALA 28 Cb 1.26 -0.18 -0.30 0.00 0.00 0.00 0.00 17.79 18.58 1xsb h ALA 28 CO 0.59 0.10 -0.85 0.42 0.00 0.00 0.00 179.25 179.51 1xsb s ILE 29 N -5.82 1.60 0.11 0.00 1.01 -1.26 0.14 121.20 116.98 1xsb s ILE 29 Ca -0.13 -0.87 0.08 0.00 0.00 0.00 0.00 60.65 59.73 1xsb s ILE 29 Cb 0.11 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.22 1xsb s ILE 29 CO 0.75 0.45 -0.19 -1.61 0.00 0.00 0.00 174.94 174.34 1xsb s GLU 30 N -0.48 1.10 0.16 2.79 8.01 -0.58 -4.29 118.70 125.40 1xsb s GLU 30 Ca 0.08 -1.18 0.10 0.00 0.01 0.00 0.00 54.97 53.97 1xsb s GLU 30 Cb -0.08 -1.25 -0.04 0.00 -4.31 0.00 0.00 34.13 28.45 1xsb s GLU 30 CO -0.01 0.28 -0.17 -0.06 0.01 0.00 0.00 175.26 175.31 1xsb s PHE 31 N -1.43 2.51 -0.09 1.61 0.08 -0.69 0.19 117.98 120.16 1xsb s PHE 31 Ca 0.07 -0.27 -0.24 0.00 0.12 0.00 0.00 56.93 56.61 1xsb s PHE 31 Cb -0.09 -1.27 -0.03 0.00 -0.57 0.00 0.00 43.02 41.06 1xsb s PHE 31 CO 0.04 0.46 0.73 -1.17 -0.10 0.00 0.00 175.22 175.18 1xsb s LEU 32 N -2.51 4.28 -0.05 -0.37 2.96 -0.80 -3.70 118.68 118.48 1xsb s LEU 32 Ca 0.21 1.18 0.03 0.00 -0.22 0.00 0.00 54.13 55.32 1xsb s LEU 32 Cb -0.09 -3.11 0.01 0.00 0.50 0.00 0.00 46.19 43.49 1xsb s LEU 32 CO 0.12 -0.18 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.07 1xsb s LEU 33 N 1.13 1.75 -0.03 -0.68 1.43 -1.09 -4.64 118.68 116.54 1xsb s LEU 33 Ca 0.38 -0.29 -0.01 0.00 -1.03 0.00 0.00 54.13 53.18 1xsb s LEU 33 Cb -0.17 -0.81 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 1xsb s LEU 33 CO 0.17 0.07 0.05 -0.76 0.23 0.00 0.00 176.35 176.11 1xsb s LEU 34 N 0.40 3.79 0.35 1.79 1.43 -1.14 -1.17 118.68 124.13 1xsb s LEU 34 Ca -0.09 0.14 -0.25 0.00 -1.03 0.00 0.00 54.13 52.90 1xsb s LEU 34 Cb -0.13 -2.10 -0.10 0.00 0.03 0.00 0.00 46.19 43.89 1xsb s LEU 34 CO 0.03 0.31 0.99 -1.58 0.23 0.00 0.00 176.35 176.33 1xsb s GLN 35 N -1.44 4.44 0.12 1.70 0.74 0.84 -2.52 119.66 123.53 1xsb s GLN 35 Ca 0.19 1.42 0.19 0.00 0.05 0.00 0.00 55.36 57.21 1xsb s GLN 35 Cb -0.12 -2.73 0.79 0.00 1.10 0.00 0.00 33.01 32.06 1xsb s GLN 35 CO 0.10 0.13 1.59 0.00 -0.55 0.00 0.00 175.29 176.55 1xsb n ALA 36 N 0.36 1.68 0.00 1.58 0.00 -0.74 -3.42 120.51 119.98 1xsb n ALA 36 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1xsb n ALA 36 Cb 0.50 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1xsb n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xsb n SER 37 N -1.84 0.00 -4.77 0.00 3.41 -1.26 -4.62 113.62 104.54 1xsb n SER 37 Ca 0.03 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.39 1xsb n SER 37 Cb 0.20 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.09 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 0.00 4.49 0.00 4.04 -0.00 -1.26 -4.83 116.67 119.11 1xsb s ASP 38 Ca 0.00 -1.10 0.00 0.00 -0.00 0.00 0.00 52.55 51.45 1xsb s ASP 38 Cb 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 42.92 42.60 1xsb s ASP 38 CO 0.00 -0.64 0.00 0.61 -0.00 0.00 0.00 175.17 175.14 1xsb n GLY 39 N -1.33 -1.55 0.00 0.21 0.00 -1.26 -3.59 105.19 97.67 1xsb n GLY 39 Ca -0.02 -1.50 0.02 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.51 -0.61 -5.35 -1.26 -4.74 119.36 104.89 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 -0.52 0.01 0.00 -1.74 0.00 0.00 39.64 37.39 1xsb n ILE 40 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1xsb n HIS 41 N -0.69 -0.95 -1.67 4.28 8.25 -1.24 -4.97 115.22 118.23 1xsb n HIS 41 Ca 0.03 0.18 -0.34 0.00 -0.26 0.00 0.00 57.72 57.33 1xsb n HIS 41 Cb 0.01 -3.05 0.06 0.00 1.12 0.00 0.00 29.99 28.14 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 -2.81 2.35 -0.11 4.41 -3.43 -1.26 -4.46 115.29 109.99 1xsb s HIS 42 Ca 0.10 1.57 -0.04 0.00 -0.80 0.00 0.00 55.06 55.89 1xsb s HIS 42 Cb -0.04 -3.34 -0.04 0.00 -1.43 0.00 0.00 32.58 27.73 1xsb s HIS 42 CO 0.13 -2.14 0.04 -1.58 -2.00 0.00 0.00 174.74 169.19 1xsb s TRP 43 N -2.07 3.27 -0.03 0.38 0.52 -1.25 -1.79 118.94 117.97 1xsb s TRP 43 Ca 0.72 0.24 -0.19 0.00 0.02 0.00 0.00 56.10 56.88 1xsb s TRP 43 Cb -0.25 -1.86 0.04 0.00 -1.15 0.00 0.00 33.47 30.24 1xsb s TRP 43 CO 0.41 0.48 0.42 0.95 0.02 0.00 0.00 176.95 179.23 1xsb s THR 44 N -0.74 0.04 0.75 2.01 -4.23 -1.05 -4.30 115.64 108.12 1xsb s THR 44 Ca 0.12 -0.32 -0.14 0.00 -1.18 0.00 0.00 61.69 60.17 1xsb s THR 44 Cb -0.12 -0.72 0.05 0.00 1.34 0.00 0.00 72.50 73.05 1xsb s THR 44 CO 0.02 -0.18 1.18 -2.16 -0.54 0.00 0.00 174.62 172.94 1xsb s PRO 45 N -1.24 2.08 -0.14 3.99 0.04 -1.26 -2.90 135.00 135.57 1xsb s PRO 45 Ca -0.12 1.64 -0.29 0.00 0.04 0.00 0.00 61.00 62.27 1xsb s PRO 45 Cb -0.04 -1.84 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 1xsb s PRO 45 CO 0.06 -1.85 2.13 -1.25 0.04 0.00 0.00 177.00 176.12 1xsb s PRO 46 N -4.10 3.47 0.12 0.56 0.04 -1.26 -4.88 135.00 128.94 1xsb s PRO 46 Ca 0.71 2.21 0.03 0.00 0.04 0.00 0.00 61.00 64.00 1xsb s PRO 46 Cb -0.26 -4.30 -0.04 0.00 0.04 0.00 0.00 34.50 29.93 1xsb s PRO 46 CO 0.47 -1.72 -0.08 -1.59 0.04 0.00 0.00 177.00 174.12 1xsb s LYS 47 N 5.72 0.92 0.10 4.56 -2.85 -1.26 -2.61 119.74 124.32 1xsb s LYS 47 Ca 0.96 -1.36 -0.03 0.00 -1.00 0.00 0.00 55.97 54.54 1xsb s LYS 47 Cb -0.36 -0.40 0.01 0.00 -2.06 0.00 0.00 37.83 35.02 1xsb s LYS 47 CO 0.37 0.03 0.19 0.41 0.10 0.00 0.00 175.35 176.45 1xsb n GLY 48 N -0.04 2.02 3.65 0.59 0.00 -1.21 -4.98 105.19 105.22 1xsb n GLY 48 Ca -0.12 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 1xsb n GLY 48 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1xsb s HIS 49 N -6.53 3.30 0.30 1.61 2.46 -1.26 -2.55 115.29 112.62 1xsb s HIS 49 Ca 0.05 0.15 -0.29 0.00 0.47 0.00 0.00 55.06 55.44 1xsb s HIS 49 Cb -0.01 -2.17 -0.10 0.00 -0.13 0.00 0.00 32.58 30.17 1xsb s HIS 49 CO 0.04 0.12 1.30 0.54 -2.47 0.00 0.00 174.74 174.27 1xsb s VAL 50 N 0.67 2.88 1.06 0.89 0.11 -1.23 -4.94 120.40 119.84 1xsb s VAL 50 Ca 0.06 0.84 -0.18 0.00 -2.93 0.00 0.00 61.98 59.77 1xsb s VAL 50 Cb -0.13 -3.54 0.26 0.00 -1.53 0.00 0.00 36.38 31.44 1xsb s VAL 50 CO 0.01 0.18 1.15 -0.62 -3.33 0.00 0.00 175.10 172.49 1xsb n GLU 51 N 1.28 -2.22 0.00 1.54 4.71 -1.26 -4.94 120.64 119.75 1xsb n GLU 51 Ca 0.01 -1.80 0.00 0.00 -0.01 0.00 0.00 57.16 55.36 1xsb n GLU 51 Cb 0.42 -1.44 0.00 0.00 -1.01 0.00 0.00 31.44 29.41 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 -4.23 0.00 0.00 3.49 -0.02 -1.26 -2.81 135.00 130.18 1xsb n PRO 52 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1xsb n PRO 52 Cb 0.56 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.05 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 -0.12 3.72 -1.23 0.00 -1.26 -4.75 105.19 101.55 1xsb n GLY 53 Ca 0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1xsb n GLY 53 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1xsb n GLU 54 N -0.55 1.30 -1.42 1.61 2.13 -1.12 -4.95 120.64 117.63 1xsb n GLU 54 Ca 0.00 0.49 -0.31 0.00 0.66 0.00 0.00 57.16 58.01 1xsb n GLU 54 Cb 0.00 -2.49 0.08 0.00 0.27 0.00 0.00 31.44 29.30 1xsb n GLU 54 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1xsb s ASP 55 N -1.19 4.78 -0.04 4.31 2.15 -1.26 -4.73 116.67 120.68 1xsb s ASP 55 Ca 0.78 1.65 -0.24 0.00 0.43 0.00 0.00 52.55 55.17 1xsb s ASP 55 Cb -0.40 -2.43 -0.23 0.00 -0.30 0.00 0.00 42.92 39.56 1xsb s ASP 55 CO 0.44 -1.83 1.05 0.44 -0.17 0.00 0.00 175.17 175.10 1xsb h ASP 56 N -0.99 0.25 -0.14 -0.34 3.32 -1.96 -2.95 116.42 113.61 1xsb h ASP 56 Ca -0.45 -0.76 -0.08 0.00 0.02 0.00 0.00 57.03 55.77 1xsb h ASP 56 Cb 1.23 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 40.70 1xsb h ASP 56 CO 0.55 0.97 -0.22 0.25 -1.72 0.00 0.00 179.24 179.07 1xsb h LEU 57 N -0.45 0.44 -1.22 1.55 5.85 -1.96 -2.98 115.31 116.54 1xsb h LEU 57 Ca -0.03 -0.53 0.15 0.00 0.84 0.00 0.00 57.88 58.30 1xsb h LEU 57 Cb 1.01 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.84 1xsb h LEU 57 CO 0.05 0.88 0.59 -0.33 -0.34 0.00 0.00 178.44 179.30 1xsb h GLU 58 N 0.00 0.73 -0.85 1.25 3.07 -1.96 0.85 114.58 117.67 1xsb h GLU 58 Ca 0.01 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.87 1xsb h GLU 58 Cb 0.79 -0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 28.48 1xsb h GLU 58 CO 0.05 0.48 0.54 1.15 -1.40 0.00 0.00 179.01 179.83 1xsb h THR 59 N 0.75 1.10 -0.08 1.13 2.02 -1.40 1.43 112.91 117.86 1xsb h THR 59 Ca 0.47 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 1xsb h THR 59 Cb 0.71 -0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1xsb h THR 59 CO -0.23 0.19 -0.02 0.00 0.37 0.00 0.00 175.52 175.83 1xsb h ALA 60 N 1.37 0.11 -0.03 6.16 0.00 0.51 1.10 119.26 128.48 1xsb h ALA 60 Ca 0.35 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1xsb h ALA 60 Cb 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1xsb h ALA 60 CO -0.13 -0.17 -0.18 -0.07 0.00 0.00 0.00 179.25 178.70 1xsb h LEU 61 N -0.17 -0.53 -0.54 0.00 3.38 0.14 3.05 115.31 120.63 1xsb h LEU 61 Ca 0.02 0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 1xsb h LEU 61 Cb 0.42 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.37 1xsb h LEU 61 CO 0.01 -0.24 0.06 0.03 0.09 0.00 0.00 178.44 178.39 1xsb h ARG 62 N -0.27 0.91 -0.13 1.13 3.08 0.20 -2.13 114.38 117.17 1xsb h ARG 62 Ca 0.07 -0.26 -0.13 0.00 0.07 0.00 0.00 59.98 59.73 1xsb h ARG 62 Cb 0.36 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1xsb h ARG 62 CO -0.19 0.90 -0.48 0.00 -1.07 0.00 0.00 179.97 179.13 1xsb h ALA 63 N 0.98 0.94 -0.40 0.04 0.00 0.20 0.60 119.26 121.62 1xsb h ALA 63 Ca 0.16 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.62 1xsb h ALA 63 Cb 0.45 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1xsb h ALA 63 CO 0.02 0.65 0.23 1.15 0.00 0.00 0.00 179.25 181.30 1xsb h THR 64 N 0.26 1.03 0.23 0.00 2.02 0.60 0.17 112.91 117.22 1xsb h THR 64 Ca 0.01 -0.16 -0.33 0.00 0.77 0.00 0.00 66.41 66.70 1xsb h THR 64 Cb 0.95 0.52 0.04 0.00 -1.74 0.00 0.00 68.15 67.91 1xsb h THR 64 CO 0.08 0.09 -1.44 -0.61 0.37 0.00 0.00 175.52 174.00 1xsb h GLN 65 N 0.47 0.53 -0.64 6.66 4.15 -0.38 0.71 115.11 126.60 1xsb h GLN 65 Ca 0.16 -0.88 -0.05 0.00 0.77 0.00 0.00 58.65 58.66 1xsb h GLN 65 Cb 0.02 0.32 -0.03 0.00 0.21 0.00 0.00 27.48 28.00 1xsb h GLN 65 CO -0.08 1.42 0.22 0.93 -1.93 0.00 0.00 178.83 179.38 1xsb h GLU 66 N 0.15 0.97 -0.32 1.69 5.08 -0.72 3.85 114.58 125.28 1xsb h GLU 66 Ca -0.24 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 57.94 1xsb h GLU 66 Cb 2.13 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 31.23 1xsb h GLU 66 CO 0.27 0.82 0.00 0.39 -1.00 0.00 0.00 179.01 179.49 1xsb n GLU 67 N -4.28 2.36 0.00 2.33 1.02 0.58 -4.19 120.64 118.46 1xsb n GLU 67 Ca 0.05 -2.16 0.00 0.00 -0.02 0.00 0.00 57.16 55.03 1xsb n GLU 67 Cb 0.20 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.15 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 1.35 0.23 -0.32 0.62 0.00 0.67 -4.36 120.51 118.71 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 0.57 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 0.02 1.16 3.62 0.00 0.00 1.27 0.49 105.19 111.75 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 -2.87 5.08 0.41 -0.61 1.01 -1.21 -4.75 121.20 118.25 1xsb s ILE 70 Ca 0.00 0.08 0.07 0.00 0.00 0.00 0.00 60.65 60.81 1xsb s ILE 70 Cb 0.00 -3.36 -0.05 0.00 0.01 0.00 0.00 42.46 39.06 1xsb s ILE 70 CO 0.00 0.36 0.17 -1.83 0.00 0.00 0.00 174.94 173.64 1xsb s GLU 71 N 1.05 2.22 0.37 2.79 -1.05 -1.26 -0.91 118.70 121.90 1xsb s GLU 71 Ca 0.06 -1.83 0.17 0.00 -0.15 0.00 0.00 54.97 53.22 1xsb s GLU 71 Cb -0.14 -1.98 1.10 0.00 -0.44 0.00 0.00 34.13 32.67 1xsb s GLU 71 CO 0.04 -0.09 1.70 0.00 0.95 0.00 0.00 175.26 177.86 1xsb h ALA 72 N 1.46 2.12 -0.10 -0.84 0.00 -1.85 2.92 119.26 122.96 1xsb h ALA 72 Ca -0.43 0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.64 1xsb h ALA 72 Cb 1.25 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1xsb h ALA 72 CO 0.70 -0.64 0.09 0.78 0.00 0.00 0.00 179.25 180.18 1xsb h GLY 73 N 0.37 0.00 -0.46 0.00 0.00 -1.98 -0.55 103.07 100.44 1xsb h GLY 73 Ca 0.69 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.02 1xsb h GLY 73 CO -0.46 0.00 -0.75 -1.06 0.00 0.00 0.00 176.54 174.27 1xsb n GLN 74 N -4.11 0.57 -2.84 4.80 6.02 0.96 -4.99 117.38 117.79 1xsb n GLN 74 Ca -0.00 -0.47 -0.09 0.00 -0.01 0.00 0.00 57.00 56.43 1xsb n GLN 74 Cb 0.20 -1.49 -0.03 0.00 1.02 0.00 0.00 30.24 29.95 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 -0.81 0.00 -3.73 1.08 -0.00 0.02 -1.60 117.00 111.95 1xsb n LEU 75 Ca 0.06 -1.09 -0.28 0.00 -0.00 0.00 0.00 56.01 54.70 1xsb n LEU 75 Cb 0.40 0.37 -0.16 0.00 -0.00 0.00 0.00 43.42 44.02 1xsb n LEU 75 CO 0.36 -0.17 -0.36 -0.89 -0.00 0.00 0.00 177.39 176.33 1xsb s THR 76 N -2.08 0.53 -0.02 1.47 2.01 -0.16 -4.75 115.64 112.64 1xsb s THR 76 Ca 0.07 -0.63 -0.30 0.00 0.31 0.00 0.00 61.69 61.15 1xsb s THR 76 Cb 0.00 -1.08 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 1xsb s THR 76 CO 0.05 -0.26 1.15 -0.63 -0.69 0.00 0.00 174.62 174.24 1xsb s ILE 77 N 1.85 4.33 0.17 1.82 -1.09 -1.26 -2.15 121.20 124.86 1xsb s ILE 77 Ca 0.00 1.66 -0.20 0.00 -2.23 0.00 0.00 60.65 59.88 1xsb s ILE 77 Cb -0.17 -4.07 -0.08 0.00 -1.58 0.00 0.00 42.46 36.57 1xsb s ILE 77 CO -0.10 0.05 0.68 -0.63 -1.23 0.00 0.00 174.94 173.71 1xsb s ILE 78 N 1.72 4.59 0.11 2.92 1.09 0.60 -4.98 121.20 127.25 1xsb s ILE 78 Ca 0.55 1.31 0.03 0.00 -1.10 0.00 0.00 60.65 61.44 1xsb s ILE 78 Cb -0.25 -3.91 -0.04 0.00 -1.06 0.00 0.00 42.46 37.20 1xsb s ILE 78 CO 0.24 0.36 0.14 -1.61 -0.10 0.00 0.00 174.94 173.97 1xsb s GLU 79 N -1.61 3.05 0.00 2.79 2.02 -1.26 -4.45 118.70 119.24 1xsb s GLU 79 Ca 0.38 -0.69 0.00 0.00 0.02 0.00 0.00 54.97 54.68 1xsb s GLU 79 Cb -0.18 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.26 1xsb s GLU 79 CO 0.21 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.45 1xsb n GLY 80 N 0.06 2.96 3.51 -1.39 0.00 -1.26 -5.04 105.19 104.03 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 -2.69 3.09 -0.24 1.61 2.19 -1.26 -5.08 117.98 115.60 1xsb s PHE 81 Ca 0.00 -0.26 -0.15 0.00 0.33 0.00 0.00 56.93 56.85 1xsb s PHE 81 Cb 0.00 -2.05 0.07 0.00 -1.31 0.00 0.00 43.02 39.73 1xsb s PHE 81 CO 0.00 -0.08 0.60 0.21 1.83 0.00 0.00 175.22 177.79 1xsb s LYS 82 N 0.65 0.62 -0.25 10.12 2.20 -1.26 -4.68 119.74 127.14 1xsb s LYS 82 Ca 0.00 1.06 -0.26 0.00 -0.36 0.00 0.00 55.97 56.42 1xsb s LYS 82 Cb -0.14 0.11 0.08 0.00 -1.51 0.00 0.00 37.83 36.38 1xsb s LYS 82 CO 0.02 -0.15 0.80 0.50 -0.36 0.00 0.00 175.35 176.16 1xsb s ARG 83 N 1.44 0.77 -0.04 4.03 3.52 -1.26 -5.04 118.95 122.37 1xsb s ARG 83 Ca -0.09 0.83 0.07 0.00 -0.13 0.00 0.00 55.73 56.41 1xsb s ARG 83 Cb -0.06 0.38 -0.02 0.00 -1.56 0.00 0.00 34.95 33.69 1xsb s ARG 83 CO -0.16 -0.11 -0.25 -1.83 -0.81 0.00 0.00 175.30 172.14 1xsb s GLU 84 N 0.18 2.32 -0.31 5.12 1.03 -1.24 -1.73 118.70 124.07 1xsb s GLU 84 Ca -0.00 -0.91 -0.16 0.00 0.03 0.00 0.00 54.97 53.92 1xsb s GLU 84 Cb -0.04 -2.09 -0.02 0.00 -0.80 0.00 0.00 34.13 31.17 1xsb s GLU 84 CO 0.00 0.47 0.44 -0.51 -1.33 0.00 0.00 175.26 174.33 1xsb s LEU 85 N -0.39 4.24 -0.18 1.83 1.43 0.26 -4.72 118.68 121.16 1xsb s LEU 85 Ca 0.03 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1xsb s LEU 85 Cb -0.12 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.62 1xsb s LEU 85 CO 0.01 -0.34 -0.16 0.54 0.23 0.00 0.00 176.35 176.63 1xsb s ASN 86 N 1.69 3.44 0.04 2.29 2.20 -1.26 -0.84 114.94 122.51 1xsb s ASN 86 Ca 0.16 -0.57 -0.22 0.00 -0.94 0.00 0.00 52.86 51.29 1xsb s ASN 86 Cb -0.16 -1.54 0.05 0.00 -2.00 0.00 0.00 41.25 37.60 1xsb s ASN 86 CO 0.11 0.01 0.51 -0.72 -2.94 0.00 0.00 177.10 174.08 1xsb s TYR 87 N 1.23 -0.41 -0.39 1.54 -0.85 -1.22 -4.91 117.35 112.33 1xsb s TYR 87 Ca 0.03 0.47 -0.08 0.00 -0.52 0.00 0.00 57.07 56.97 1xsb s TYR 87 Cb -0.14 0.33 0.07 0.00 0.38 0.00 0.00 41.96 42.60 1xsb s TYR 87 CO -0.08 -0.63 0.20 0.54 -1.52 0.00 0.00 175.55 174.05 1xsb s VAL 88 N -2.39 3.99 0.00 -3.49 0.11 -1.26 -2.01 120.40 115.35 1xsb s VAL 88 Ca -0.06 -1.35 0.00 0.00 -2.93 0.00 0.00 61.98 57.64 1xsb s VAL 88 Cb -0.01 -3.40 0.00 0.00 -1.53 0.00 0.00 36.38 31.44 1xsb s VAL 88 CO -0.01 -0.40 0.00 0.00 -3.33 0.00 0.00 175.10 171.36 1xsb n ALA 89 N 4.85 0.00 0.13 1.54 0.00 -1.25 -4.61 120.51 121.17 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 -0.07 0.00 0.00 0.00 0.00 19.45 19.82 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 -0.58 0.00 0.00 2.43 -2.05 -3.43 114.38 110.75 1xsb h ARG 90 Ca 0.00 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1xsb h ARG 90 Cb 0.00 0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1xsb h ARG 90 CO 0.00 -0.39 0.00 -1.71 -1.51 0.00 0.00 179.97 176.36 1xsb n ASN 91 N -5.44 0.00 -3.71 -3.80 5.15 -1.26 -5.13 115.26 101.07 1xsb n ASN 91 Ca -0.07 0.00 -0.16 0.00 -0.60 0.00 0.00 54.58 53.74 1xsb n ASN 91 Cb 0.35 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.44 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 0.00 -0.04 1.20 2.47 -1.26 -5.08 119.74 117.03 1xsb s LYS 92 Ca 0.00 0.39 -0.30 0.00 -1.56 0.00 0.00 55.97 54.50 1xsb s LYS 92 Cb 0.00 -0.30 -0.03 0.00 -1.46 0.00 0.00 37.83 36.04 1xsb s LYS 92 CO 0.00 -0.25 1.15 -1.25 0.16 0.00 0.00 175.35 175.16 1xsb s PRO 93 N 1.71 4.39 -0.16 4.03 0.04 -1.26 -3.81 135.00 139.94 1xsb s PRO 93 Ca -0.02 1.62 0.01 0.00 0.04 0.00 0.00 61.00 62.65 1xsb s PRO 93 Cb -0.12 -3.52 0.02 0.00 0.04 0.00 0.00 34.50 30.92 1xsb s PRO 93 CO -0.05 -0.37 -0.17 0.21 0.04 0.00 0.00 177.00 176.67 1xsb s LYS 94 N 1.93 2.62 -0.07 4.56 2.20 -0.85 0.22 119.74 130.34 1xsb s LYS 94 Ca 0.55 -0.69 -0.27 0.00 -0.36 0.00 0.00 55.97 55.20 1xsb s LYS 94 Cb -0.24 -2.30 -0.03 0.00 -1.51 0.00 0.00 37.83 33.75 1xsb s LYS 94 CO 0.23 -0.20 0.87 0.99 -0.36 0.00 0.00 175.35 176.88 1xsb s THR 95 N 1.33 4.91 -0.17 3.43 2.01 0.78 -3.38 115.64 124.55 1xsb s THR 95 Ca 0.03 1.78 0.01 0.00 0.31 0.00 0.00 61.69 63.82 1xsb s THR 95 Cb -0.13 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.20 1xsb s THR 95 CO -0.10 0.14 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.09 1xsb s VAL 96 N 1.32 2.22 -0.23 3.82 1.01 -0.02 0.94 120.40 129.46 1xsb s VAL 96 Ca 0.44 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 61.42 1xsb s VAL 96 Cb -0.19 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.22 1xsb s VAL 96 CO 0.20 0.53 0.15 -0.63 0.00 0.00 0.00 175.10 175.36 1xsb s ILE 97 N 1.14 5.32 -0.12 2.22 -1.09 -0.68 0.92 121.20 128.91 1xsb s ILE 97 Ca 0.01 0.17 0.00 0.00 -2.23 0.00 0.00 60.65 58.60 1xsb s ILE 97 Cb -0.14 -3.47 -0.02 0.00 -1.58 0.00 0.00 42.46 37.25 1xsb s ILE 97 CO -0.08 0.36 -0.12 -0.31 -1.23 0.00 0.00 174.94 173.56 1xsb s TYR 98 N 0.98 2.82 0.01 3.97 2.02 -0.70 -2.38 117.35 124.07 1xsb s TYR 98 Ca 0.07 -0.48 0.05 0.00 -0.37 0.00 0.00 57.07 56.34 1xsb s TYR 98 Cb -0.13 -1.81 -0.03 0.00 -0.40 0.00 0.00 41.96 39.58 1xsb s TYR 98 CO 0.04 -0.09 -0.12 -1.58 -1.57 0.00 0.00 175.55 172.22 1xsb s TRP 99 N 0.10 2.73 0.23 2.71 0.51 -1.25 -4.02 118.94 119.95 1xsb s TRP 99 Ca -0.05 -0.14 -0.30 0.00 -2.12 0.00 0.00 56.10 53.49 1xsb s TRP 99 Cb -0.15 -1.55 -0.09 0.00 -0.81 0.00 0.00 33.47 30.88 1xsb s TRP 99 CO 0.04 0.30 1.03 -0.51 -0.51 0.00 0.00 176.95 177.31 1xsb s LEU 100 N -1.35 4.56 0.07 2.99 1.43 -1.26 -1.62 118.68 123.51 1xsb s LEU 100 Ca 0.16 2.08 0.02 0.00 -1.03 0.00 0.00 54.13 55.35 1xsb s LEU 100 Cb -0.11 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.47 1xsb s LEU 100 CO 0.06 -0.05 -0.07 0.00 0.23 0.00 0.00 176.35 176.52 1xsb s ALA 101 N -0.84 0.77 -0.11 4.21 0.00 0.16 -0.29 121.76 125.65 1xsb s ALA 101 Ca 0.45 -1.10 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 1xsb s ALA 101 Cb -0.29 0.12 0.03 0.00 0.00 0.00 0.00 23.12 22.99 1xsb s ALA 101 CO 0.36 -0.16 -0.05 -2.00 0.00 0.00 0.00 175.76 173.91 1xsb s GLU 102 N -2.93 1.20 0.17 0.00 2.12 -0.92 0.44 118.70 118.78 1xsb s GLU 102 Ca 0.03 -0.18 -0.29 0.00 0.36 0.00 0.00 54.97 54.88 1xsb s GLU 102 Cb -0.01 -1.48 -0.08 0.00 0.26 0.00 0.00 34.13 32.83 1xsb s GLU 102 CO -0.03 -0.31 0.91 0.14 -0.54 0.00 0.00 175.26 175.42 1xsb s VAL 103 N 1.79 4.31 0.24 3.70 -7.23 -1.26 -0.99 120.40 120.95 1xsb s VAL 103 Ca 0.04 1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 62.17 1xsb s VAL 103 Cb -0.13 -4.28 0.08 0.00 0.56 0.00 0.00 36.38 32.61 1xsb s VAL 103 CO -0.07 0.43 1.70 0.11 -0.31 0.00 0.00 175.10 176.96 1xsb h LYS 104 N 4.76 0.80 -5.61 4.82 1.79 -1.66 -3.43 116.57 118.04 1xsb h LYS 104 Ca -0.44 -0.26 -0.65 0.00 -2.18 0.00 0.00 60.65 57.12 1xsb h LYS 104 Cb 1.20 -0.07 -0.15 0.00 -1.58 0.00 0.00 32.23 31.64 1xsb h LYS 104 CO 0.69 0.86 -0.58 -0.51 -1.08 0.00 0.00 179.45 178.83 1xsb s ASP 105 N -6.68 5.51 0.17 0.86 -0.00 -1.26 -4.98 116.67 110.29 1xsb s ASP 105 Ca -0.09 0.15 -0.11 0.00 -0.00 0.00 0.00 52.55 52.50 1xsb s ASP 105 Cb 0.14 -1.77 0.04 0.00 -0.00 0.00 0.00 42.92 41.33 1xsb s ASP 105 CO 0.82 0.29 1.62 0.22 -0.00 0.00 0.00 175.17 178.13 1xsb h TYR 106 N 5.81 1.06 -0.40 4.23 3.20 -2.02 -1.10 116.97 127.75 1xsb h TYR 106 Ca -0.45 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.24 1xsb h TYR 106 Cb 1.19 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 39.18 1xsb h TYR 106 CO 0.62 0.96 0.00 -0.25 -1.64 0.00 0.00 178.16 177.85 1xsb n ASP 107 N -4.26 2.96 -3.83 -2.11 8.00 -1.26 -4.96 116.55 111.09 1xsb n ASP 107 Ca 0.02 -2.23 -0.39 0.00 0.71 0.00 0.00 54.79 52.90 1xsb n ASP 107 Cb 0.33 -0.42 -0.01 0.00 -0.02 0.00 0.00 41.12 40.99 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 0.62 1.06 -1.78 2.53 3.14 -0.42 -4.72 118.33 118.76 1xsb n VAL 108 Ca 0.15 -0.44 -0.39 0.00 -2.96 0.00 0.00 64.34 60.70 1xsb n VAL 108 Cb 0.55 0.00 0.03 0.00 -1.06 0.00 0.00 33.84 33.36 1xsb n VAL 108 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1xsb s GLU 109 N -0.88 3.39 -0.23 1.45 -1.05 -1.26 -4.99 118.70 115.13 1xsb s GLU 109 Ca 0.54 2.33 0.01 0.00 -0.15 0.00 0.00 54.97 57.70 1xsb s GLU 109 Cb -0.67 -2.44 0.05 0.00 -0.44 0.00 0.00 34.13 30.63 1xsb s GLU 109 CO 0.53 -1.02 -0.08 0.42 0.95 0.00 0.00 175.26 176.06 1xsb s ILE 110 N -1.25 1.71 -0.34 1.83 -1.09 -1.25 -4.40 121.20 116.41 1xsb s ILE 110 Ca 0.67 -1.26 -0.10 0.00 -2.23 0.00 0.00 60.65 57.72 1xsb s ILE 110 Cb -0.42 -1.89 0.01 0.00 -1.58 0.00 0.00 42.46 38.58 1xsb s ILE 110 CO 0.52 -0.01 0.18 -0.13 -1.23 0.00 0.00 174.94 174.27 1xsb s ARG 111 N 1.33 3.08 -0.16 2.79 0.52 1.81 -4.87 118.95 123.44 1xsb s ARG 111 Ca -0.05 -0.90 -0.08 0.00 -0.52 0.00 0.00 55.73 54.17 1xsb s ARG 111 Cb -0.18 -3.65 -0.04 0.00 0.52 0.00 0.00 34.95 31.59 1xsb s ARG 111 CO -0.06 -0.56 0.13 -0.51 0.02 0.00 0.00 175.30 174.31 1xsb s LEU 112 N 1.58 4.27 0.65 2.53 1.43 -1.26 -0.24 118.68 127.64 1xsb s LEU 112 Ca 0.03 0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 53.43 1xsb s LEU 112 Cb -0.18 -2.07 0.05 0.00 0.03 0.00 0.00 46.19 44.02 1xsb s LEU 112 CO 0.06 0.29 0.93 -0.94 0.23 0.00 0.00 176.35 176.93 1xsb s SER 113 N -0.33 5.02 0.58 2.29 1.04 -1.26 -4.84 113.70 116.20 1xsb s SER 113 Ca 0.11 0.33 0.33 0.00 0.48 0.00 0.00 55.95 57.20 1xsb s SER 113 Cb -0.12 -1.08 1.39 0.00 0.10 0.00 0.00 66.02 66.31 1xsb s SER 113 CO 0.01 -1.41 1.68 0.45 0.98 0.00 0.00 173.24 174.96 1xsb h HIS 114 N -0.35 0.00 -0.37 5.02 -0.00 -1.98 0.78 115.15 118.25 1xsb h HIS 114 Ca -0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 59.92 1xsb h HIS 114 Cb 1.31 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.70 1xsb h HIS 114 CO 0.36 0.00 0.15 0.93 -0.00 0.00 0.00 177.93 179.37 1xsb h GLU 115 N 0.00 0.51 -6.47 2.45 5.08 -1.92 -3.42 114.58 110.81 1xsb h GLU 115 Ca 0.47 -0.06 -0.67 0.00 -1.00 0.00 0.00 59.36 58.10 1xsb h GLU 115 Cb 2.24 -0.10 -0.29 0.00 0.50 0.00 0.00 28.75 31.09 1xsb h GLU 115 CO -0.00 0.42 -0.88 -1.01 -1.00 0.00 0.00 179.01 176.53 1xsb s HIS 116 N -5.27 2.21 -0.17 4.33 3.76 0.27 -4.09 115.29 116.33 1xsb s HIS 116 Ca -0.08 -0.41 0.11 0.00 -0.15 0.00 0.00 55.06 54.53 1xsb s HIS 116 Cb 0.17 -1.41 -0.18 0.00 1.11 0.00 0.00 32.58 32.27 1xsb s HIS 116 CO 0.74 -0.02 -0.00 0.00 -0.85 0.00 0.00 174.74 174.61 1xsb n GLN 117 N 2.38 1.17 -3.83 1.40 10.64 -1.22 -4.09 117.38 123.83 1xsb n GLN 117 Ca -0.16 0.02 -0.09 0.00 -1.83 0.00 0.00 57.00 54.94 1xsb n GLN 117 Cb 0.52 -1.41 -0.06 0.00 -0.86 0.00 0.00 30.24 28.42 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 -2.39 -0.37 0.11 2.61 0.00 -1.26 -4.98 121.76 115.48 1xsb s ALA 118 Ca -0.13 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.31 1xsb s ALA 118 Cb 0.05 0.67 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1xsb s ALA 118 CO 0.61 -0.60 -0.07 1.52 0.00 0.00 0.00 175.76 177.21 1xsb s TYR 119 N -3.88 0.96 0.04 0.00 1.13 -1.26 0.29 117.35 114.63 1xsb s TYR 119 Ca 0.09 -0.89 0.01 0.00 -1.41 0.00 0.00 57.07 54.87 1xsb s TYR 119 Cb 0.03 -0.54 -0.03 0.00 -1.10 0.00 0.00 41.96 40.33 1xsb s TYR 119 CO -0.07 -0.11 -0.06 1.03 -2.51 0.00 0.00 175.55 173.83 1xsb s ARG 120 N -3.81 0.50 -0.35 -3.49 0.52 -0.31 -4.95 118.95 107.06 1xsb s ARG 120 Ca 0.13 -0.83 -0.05 0.00 -0.52 0.00 0.00 55.73 54.46 1xsb s ARG 120 Cb 0.05 -0.09 0.06 0.00 0.52 0.00 0.00 34.95 35.48 1xsb s ARG 120 CO -0.04 -0.01 0.11 -1.58 0.02 0.00 0.00 175.30 173.80 1xsb s TRP 121 N -1.94 3.33 0.34 -0.53 0.52 -1.26 -2.67 118.94 116.72 1xsb s TRP 121 Ca -0.08 -1.76 0.03 0.00 0.02 0.00 0.00 56.10 54.31 1xsb s TRP 121 Cb -0.06 -2.47 -0.04 0.00 -1.15 0.00 0.00 33.47 29.74 1xsb s TRP 121 CO -0.02 -0.81 0.10 -0.51 0.02 0.00 0.00 176.95 175.73 1xsb s LEU 122 N 1.31 1.95 0.00 2.99 1.02 -1.24 -4.95 118.68 119.76 1xsb s LEU 122 Ca -0.00 -1.50 -0.07 0.00 0.02 0.00 0.00 54.13 52.58 1xsb s LEU 122 Cb -0.21 -0.14 0.13 0.00 0.02 0.00 0.00 46.19 45.99 1xsb s LEU 122 CO 0.00 -0.77 0.80 0.61 0.02 0.00 0.00 176.35 177.01 1xsb n GLY 123 N -0.70 -0.61 0.32 -3.19 0.00 -1.26 -1.71 105.19 98.04 1xsb n GLY 123 Ca -0.03 -1.81 -0.01 0.00 0.00 0.00 0.00 46.02 44.17 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 0.91 0.31 0.99 5.85 -1.95 0.40 115.31 121.82 1xsb h LEU 124 Ca -0.26 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1xsb h LEU 124 Cb 0.80 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1xsb h LEU 124 CO 0.22 0.62 -0.27 1.05 -0.34 0.00 0.00 178.44 179.71 1xsb h GLU 125 N 1.06 -0.58 -0.10 1.25 4.11 -1.96 0.56 114.58 118.92 1xsb h GLU 125 Ca 0.34 0.04 -0.05 0.00 0.07 0.00 0.00 59.36 59.76 1xsb h GLU 125 Cb 0.02 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1xsb h GLU 125 CO -0.12 -0.39 -0.13 0.93 0.07 0.00 0.00 179.01 179.37 1xsb h GLU 126 N -0.60 0.27 -0.92 1.06 3.07 -1.88 0.13 114.58 115.71 1xsb h GLU 126 Ca -0.02 -0.15 0.20 0.00 -0.50 0.00 0.00 59.36 58.89 1xsb h GLU 126 Cb 0.54 0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.39 1xsb h GLU 126 CO -0.03 0.71 0.60 0.00 -1.40 0.00 0.00 179.01 178.88 1xsb h ALA 127 N 0.56 2.08 -0.07 3.43 0.00 -0.10 0.72 119.26 125.87 1xsb h ALA 127 Ca 0.01 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.74 1xsb h ALA 127 Cb 0.67 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1xsb h ALA 127 CO 0.03 -0.38 -0.81 0.00 0.00 0.00 0.00 179.25 178.10 1xsb h GLN 129 N 0.32 0.26 -0.32 0.00 -0.00 0.31 -3.12 115.11 112.57 1xsb h GLN 129 Ca -0.05 -0.08 -0.11 0.00 -0.00 0.00 0.00 58.65 58.42 1xsb h GLN 129 Cb 1.41 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.48 28.86 1xsb h GLN 129 CO 0.15 0.46 -0.22 -0.07 -0.00 0.00 0.00 178.83 179.14 1xsb h LEU 130 N 0.03 0.74 -4.57 0.06 3.38 -0.57 -3.11 115.31 111.27 1xsb h LEU 130 Ca 0.05 -0.44 -0.34 0.00 0.09 0.00 0.00 57.88 57.23 1xsb h LEU 130 Cb 0.33 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1xsb h LEU 130 CO 0.00 1.02 1.36 0.00 0.09 0.00 0.00 178.44 180.92 1xsb n ALA 131 N -2.48 6.09 -0.53 1.53 0.00 -0.38 -3.78 120.51 120.96 1xsb n ALA 131 Ca -0.03 -2.22 0.41 0.00 0.00 0.00 0.00 53.44 51.60 1xsb n ALA 131 Cb 0.43 -2.72 0.65 0.00 0.00 0.00 0.00 19.45 17.81 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 3.10 -0.01 -1.70 0.00 0.00 -1.18 -3.79 117.38 113.79 1xsb n GLN 132 Ca 0.51 0.98 -0.42 0.00 0.00 0.00 0.00 57.00 58.06 1xsb n GLN 132 Cb 0.53 -2.12 -0.03 0.00 0.00 0.00 0.00 30.24 28.63 1xsb n GLN 132 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1xsb s PHE 133 N -4.73 1.85 0.36 2.61 0.40 -1.26 -4.84 117.98 112.37 1xsb s PHE 133 Ca -0.05 -0.18 0.06 0.00 -0.60 0.00 0.00 56.93 56.16 1xsb s PHE 133 Cb 0.24 -4.21 0.73 0.00 0.51 0.00 0.00 43.02 40.30 1xsb s PHE 133 CO 0.74 -5.13 1.96 -0.22 0.70 0.00 0.00 175.22 173.27 1xsb h LYS 134 N 9.28 0.74 -0.74 0.44 3.64 -1.96 -0.58 116.57 127.39 1xsb h LYS 134 Ca -0.47 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 58.97 1xsb h LYS 134 Cb 1.22 -0.17 -0.08 0.00 -0.41 0.00 0.00 32.23 32.80 1xsb h LYS 134 CO 0.95 0.49 0.36 0.93 -2.27 0.00 0.00 179.45 179.91 1xsb h GLU 135 N 0.76 0.58 0.06 1.90 5.08 -1.89 0.79 114.58 121.87 1xsb h GLU 135 Ca 0.31 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.54 1xsb h GLU 135 Cb 0.23 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.36 1xsb h GLU 135 CO -0.10 0.38 -0.38 0.52 -1.00 0.00 0.00 179.01 178.44 1xsb h MET 136 N 0.60 0.16 -0.76 2.33 2.86 -1.59 0.51 114.93 119.04 1xsb h MET 136 Ca 0.37 -0.24 0.17 0.00 -2.06 0.00 0.00 59.70 57.94 1xsb h MET 136 Cb 0.42 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.12 1xsb h MET 136 CO -0.29 1.08 0.52 0.87 1.06 0.00 0.00 176.91 180.15 1xsb h LYS 137 N -0.64 0.30 0.01 1.72 1.57 -0.79 2.00 116.57 120.74 1xsb h LYS 137 Ca -0.06 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1xsb h LYS 137 Cb 1.26 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.50 1xsb h LYS 137 CO 0.07 0.20 -0.01 0.00 -0.57 0.00 0.00 179.45 179.14 1xsb h ALA 138 N 1.64 -0.02 -0.35 3.86 0.00 0.69 0.17 119.26 125.25 1xsb h ALA 138 Ca 0.38 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1xsb h ALA 138 Cb 1.02 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1xsb h ALA 138 CO -0.10 -0.11 0.07 0.00 0.00 0.00 0.00 179.25 179.10 1xsb h ALA 139 N 0.12 0.37 0.00 0.00 0.00 0.23 2.01 119.26 121.99 1xsb h ALA 139 Ca -0.00 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1xsb h ALA 139 Cb 0.76 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1xsb h ALA 139 CO 0.00 -0.33 -0.19 -0.07 0.00 0.00 0.00 179.25 178.66 1xsb h LEU 140 N 0.19 0.00 0.05 0.00 3.38 0.30 -0.10 115.31 119.13 1xsb h LEU 140 Ca 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 1xsb h LEU 140 Cb 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1xsb h LEU 140 CO -0.22 0.19 -0.03 1.56 0.09 0.00 0.00 178.44 180.04 1xsb h GLN 141 N 0.00 -0.07 -0.31 1.13 1.08 0.31 -3.01 115.11 114.24 1xsb h GLN 141 Ca -0.00 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.15 1xsb h GLN 141 Cb 0.36 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 1xsb h GLN 141 CO 0.02 0.55 -0.04 0.93 -0.95 0.00 0.00 178.83 179.35 1xsb h GLU 142 N -0.86 0.49 0.07 1.46 5.08 0.31 -0.75 114.58 120.37 1xsb h GLU 142 Ca -0.01 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1xsb h GLU 142 Cb 0.65 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 1xsb h GLU 142 CO 0.01 0.54 -0.10 0.78 -1.00 0.00 0.00 179.01 179.24 1xsb h GLY 143 N 0.84 -0.18 0.99 -3.84 0.00 -1.09 0.42 103.07 100.21 1xsb h GLY 143 Ca 0.10 0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.52 1xsb h GLY 143 CO 0.01 -0.11 0.24 0.84 0.00 0.00 0.00 176.54 177.53 1xsb h HIS 144 N -0.21 0.86 -0.51 5.60 -0.00 -1.35 0.60 115.15 120.15 1xsb h HIS 144 Ca 0.02 -0.06 0.03 0.00 -0.00 0.00 0.00 60.37 60.36 1xsb h HIS 144 Cb 0.22 -0.26 -0.04 0.00 -0.00 0.00 0.00 27.41 27.33 1xsb h HIS 144 CO -0.13 0.68 0.29 0.37 -0.00 0.00 0.00 177.93 179.14 1xsb h GLN 145 N 0.79 0.55 0.04 5.26 5.75 -0.55 -1.70 115.11 125.25 1xsb h GLN 145 Ca 0.19 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1xsb h GLN 145 Cb 0.18 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.60 1xsb h GLN 145 CO -0.02 0.36 -0.02 0.35 -2.65 0.00 0.00 178.83 176.85 1xsb h PHE 146 N 0.56 -0.05 -0.65 3.99 3.04 0.13 -2.93 116.94 121.03 1xsb h PHE 146 Ca 0.21 -0.00 0.17 0.00 3.98 0.00 0.00 57.97 62.33 1xsb h PHE 146 Cb 0.07 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.56 1xsb h PHE 146 CO -0.08 0.53 0.46 -0.07 -2.02 0.00 0.00 178.31 177.13 1xsb h LEU 147 N -0.69 0.13 -0.36 0.59 3.38 -0.83 1.48 115.31 119.01 1xsb h LEU 147 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xsb h LEU 147 Cb 0.61 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1xsb h LEU 147 CO 0.01 0.07 0.00 0.00 0.09 0.00 0.00 178.44 178.61 1xsb n SER 149 N -2.40 0.73 0.00 0.00 7.64 0.51 -4.40 113.62 115.69 1xsb n SER 149 Ca 0.04 -0.81 0.00 0.00 1.01 0.00 0.00 58.87 59.10 1xsb n SER 149 Cb 0.36 -0.01 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 -0.72 0.00 -0.00 0.44 5.41 -1.08 -4.94 119.36 118.48 1xsb n ILE 150 Ca 0.15 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.77 1xsb n ILE 150 Cb 0.29 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 39.13 1xsb n ILE 150 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1xsb h GLU 151 N 0.00 0.01 -6.93 0.38 4.81 -1.87 -3.43 114.58 107.54 1xsb h GLU 151 Ca 0.00 -0.00 -0.56 0.00 -0.13 0.00 0.00 59.36 58.67 1xsb h GLU 151 Cb 0.00 -0.00 0.13 0.00 0.63 0.00 0.00 28.75 29.51 1xsb h GLU 151 CO 0.00 0.36 0.53 0.00 -0.73 0.00 0.00 179.01 179.17 1xsb n ALA 152 N -2.28 1.42 -0.12 2.92 0.00 -1.26 -5.13 120.51 116.07 1xsb n ALA 152 Ca -0.08 0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1xsb n ALA 152 Cb 0.19 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.34 1xsb n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78