#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 3.80 0.18 1.61 0.04 -1.26 -5.00 135.00 134.37 1xsb s PRO 2 Ca 0.00 1.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.32 1xsb s PRO 2 Cb 0.00 -2.30 -0.08 0.00 0.04 0.00 0.00 34.50 32.16 1xsb s PRO 2 CO 0.00 -0.47 1.04 -0.51 0.04 0.00 0.00 177.00 177.10 1xsb s LEU 3 N -3.17 4.52 0.56 -3.56 1.43 -1.26 -4.90 118.68 112.31 1xsb s LEU 3 Ca 0.65 2.01 0.27 0.00 -1.03 0.00 0.00 54.13 56.02 1xsb s LEU 3 Cb -0.23 -3.60 1.48 0.00 0.03 0.00 0.00 46.19 43.86 1xsb s LEU 3 CO 0.28 -0.11 2.00 1.23 0.23 0.00 0.00 176.35 179.98 1xsb h GLY 4 N 4.96 0.00 -1.87 -3.19 0.00 -1.99 -3.42 103.07 97.55 1xsb h GLY 4 Ca -0.44 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.34 1xsb h GLY 4 CO 0.71 0.00 0.43 -0.56 0.00 0.00 0.00 176.54 177.12 1xsb s SER 5 N -5.91 4.22 -0.14 0.19 0.01 -1.26 -4.95 113.70 105.86 1xsb s SER 5 Ca -0.05 2.47 -0.21 0.00 1.31 0.00 0.00 55.95 59.48 1xsb s SER 5 Cb 0.18 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.77 1xsb s SER 5 CO 0.64 -2.26 0.59 -0.32 0.41 0.00 0.00 173.24 172.31 1xsb s MET 6 N -3.73 4.31 0.51 12.44 -2.45 -1.26 -4.90 119.30 124.22 1xsb s MET 6 Ca 0.78 0.62 0.00 0.00 -1.25 0.00 0.00 55.69 55.84 1xsb s MET 6 Cb -0.33 -3.50 0.00 0.00 1.25 0.00 0.00 34.83 32.26 1xsb s MET 6 CO 0.44 -0.03 0.00 0.00 1.05 0.00 0.00 175.02 176.48 1xsb n ALA 7 N 4.26 -3.68 -2.85 4.11 0.00 -1.26 -4.83 120.51 116.26 1xsb n ALA 7 Ca -0.03 0.75 -0.37 0.00 0.00 0.00 0.00 53.44 53.79 1xsb n ALA 7 Cb 0.51 -1.44 -0.07 0.00 0.00 0.00 0.00 19.45 18.45 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 -7.19 4.26 0.08 0.00 1.02 -1.03 -5.00 118.68 110.83 1xsb s LEU 8 Ca 0.00 0.42 -0.24 0.00 0.02 0.00 0.00 54.13 54.33 1xsb s LEU 8 Cb 0.00 -2.03 -0.06 0.00 0.02 0.00 0.00 46.19 44.11 1xsb s LEU 8 CO 0.00 0.40 0.72 -0.60 0.02 0.00 0.00 176.35 176.89 1xsb s ARG 9 N -1.01 4.45 0.05 1.70 3.52 -1.26 -2.15 118.95 124.25 1xsb s ARG 9 Ca 0.15 1.00 -0.06 0.00 -0.13 0.00 0.00 55.73 56.69 1xsb s ARG 9 Cb -0.12 -3.31 -0.01 0.00 -1.56 0.00 0.00 34.95 29.95 1xsb s ARG 9 CO 0.04 0.44 0.10 0.00 -0.81 0.00 0.00 175.30 175.07 1xsb s ALA 10 N -0.58 -0.00 -0.13 6.12 0.00 0.17 -3.58 121.76 123.76 1xsb s ALA 10 Ca 0.35 -0.70 -0.05 0.00 0.00 0.00 0.00 51.96 51.56 1xsb s ALA 10 Cb -0.21 0.32 0.06 0.00 0.00 0.00 0.00 23.12 23.30 1xsb s ALA 10 CO 0.23 -0.39 0.29 0.00 0.00 0.00 0.00 175.76 175.89 1xsb s GLY 12 N 2.06 2.73 -0.18 0.00 0.00 -0.97 -2.91 107.32 108.05 1xsb s GLY 12 Ca -0.03 -1.15 0.01 0.00 0.00 0.00 0.00 44.72 43.55 1xsb s GLY 12 CO -0.09 -2.06 -0.14 1.08 0.00 0.00 0.00 173.10 171.88 1xsb s LEU 13 N -3.74 2.07 -0.53 0.66 1.43 -1.14 -3.90 118.68 113.53 1xsb s LEU 13 Ca 0.19 -0.69 -0.25 0.00 -1.03 0.00 0.00 54.13 52.34 1xsb s LEU 13 Cb 0.04 -1.29 0.03 0.00 0.03 0.00 0.00 46.19 45.00 1xsb s LEU 13 CO 0.10 -0.07 0.99 -0.63 0.23 0.00 0.00 176.35 176.96 1xsb s ILE 14 N 1.39 4.34 -0.10 -0.59 1.01 -0.46 -4.33 121.20 122.47 1xsb s ILE 14 Ca 0.02 0.55 -0.10 0.00 0.00 0.00 0.00 60.65 61.12 1xsb s ILE 14 Cb -0.14 -4.54 -0.05 0.00 0.01 0.00 0.00 42.46 37.74 1xsb s ILE 14 CO -0.10 -1.07 0.24 -0.63 0.00 0.00 0.00 174.94 173.37 1xsb s ILE 15 N 4.08 5.34 -0.05 2.92 1.01 -1.26 0.80 121.20 134.04 1xsb s ILE 15 Ca 0.35 0.44 -0.01 0.00 0.00 0.00 0.00 60.65 61.42 1xsb s ILE 15 Cb -0.11 -3.53 0.03 0.00 0.01 0.00 0.00 42.46 38.87 1xsb s ILE 15 CO 0.23 0.56 0.03 0.72 0.00 0.00 0.00 174.94 176.48 1xsb s PHE 16 N -0.74 0.28 -0.22 3.97 -0.71 1.19 -1.84 117.98 119.91 1xsb s PHE 16 Ca 0.17 0.09 -0.26 0.00 -1.04 0.00 0.00 56.93 55.89 1xsb s PHE 16 Cb -0.13 -0.56 -0.00 0.00 -1.21 0.00 0.00 43.02 41.11 1xsb s PHE 16 CO 0.06 -0.22 0.91 0.50 -1.34 0.00 0.00 175.22 175.13 1xsb s ARG 17 N 1.93 4.24 -0.08 1.99 6.06 0.12 -3.98 118.95 129.23 1xsb s ARG 17 Ca 0.03 1.12 -0.14 0.00 -2.50 0.00 0.00 55.73 54.24 1xsb s ARG 17 Cb -0.12 -3.63 -0.05 0.00 0.06 0.00 0.00 34.95 31.21 1xsb s ARG 17 CO -0.04 -0.52 0.35 0.50 -2.50 0.00 0.00 175.30 173.09 1xsb s ARG 18 N 2.84 4.03 -0.14 5.12 3.52 -1.26 -2.63 118.95 130.43 1xsb s ARG 18 Ca 0.39 0.25 -0.02 0.00 -0.13 0.00 0.00 55.73 56.22 1xsb s ARG 18 Cb -0.15 -3.31 -0.02 0.00 -1.56 0.00 0.00 34.95 29.90 1xsb s ARG 18 CO 0.08 0.48 -0.07 0.00 -0.81 0.00 0.00 175.30 174.98 1xsb h LEU 20 N 6.62 -0.40 -8.18 0.00 5.85 -1.98 -3.44 115.31 113.79 1xsb h LEU 20 Ca -0.30 0.12 -0.12 0.00 0.84 0.00 0.00 57.88 58.42 1xsb h LEU 20 Cb 1.20 0.25 -0.15 0.00 0.37 0.00 0.00 40.66 42.33 1xsb h LEU 20 CO 0.60 -0.14 -0.65 0.27 -0.34 0.00 0.00 178.44 178.17 1xsb s ILE 21 N -6.21 0.20 0.72 4.05 -5.25 -1.26 -5.15 121.20 108.31 1xsb s ILE 21 Ca -0.14 -1.68 -0.15 0.00 -0.99 0.00 0.00 60.65 57.69 1xsb s ILE 21 Cb 0.14 -1.41 0.04 0.00 2.95 0.00 0.00 42.46 44.18 1xsb s ILE 21 CO 0.70 -0.93 1.20 -2.84 -1.79 0.00 0.00 174.94 171.29 1xsb s PRO 22 N -3.72 2.19 0.00 0.37 0.02 -1.26 -4.98 135.00 127.63 1xsb s PRO 22 Ca 0.05 1.75 0.00 0.00 0.02 0.00 0.00 61.00 62.82 1xsb s PRO 22 Cb 0.06 -1.84 0.00 0.00 0.02 0.00 0.00 34.50 32.74 1xsb s PRO 22 CO -0.09 -1.79 0.00 1.63 -0.33 0.00 0.00 177.00 176.42 1xsb n LYS 23 N -2.67 0.00 0.00 5.54 5.02 -1.26 -4.85 118.16 119.94 1xsb n LYS 23 Ca 0.13 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.48 1xsb n LYS 23 Cb 0.50 0.00 0.31 0.00 -0.02 0.00 0.00 35.03 35.83 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 -0.92 0.23 -3.60 -0.18 0.31 -1.26 -4.81 118.33 108.09 1xsb n VAL 24 Ca 0.00 0.06 -0.23 0.00 -0.01 0.00 0.00 64.34 64.15 1xsb n VAL 24 Cb 0.00 -0.88 0.08 0.00 -0.91 0.00 0.00 33.84 32.12 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 -1.09 -5.51 -0.09 4.52 10.43 -1.26 -4.91 116.55 118.63 1xsb n ASP 25 Ca 0.07 -0.58 -0.12 0.00 2.57 0.00 0.00 54.79 56.73 1xsb n ASP 25 Cb 0.05 -4.94 -0.04 0.00 1.84 0.00 0.00 41.12 38.04 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 -3.02 1.90 -3.64 -2.24 0.23 -1.26 -5.06 115.26 102.16 1xsb n ASN 26 Ca -0.04 0.32 -0.03 0.00 -0.53 0.00 0.00 54.58 54.31 1xsb n ASN 26 Cb 0.58 -0.73 -0.07 0.00 -2.08 0.00 0.00 39.78 37.48 1xsb n ASN 26 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 1xsb s ASN 27 N -6.19 -0.39 0.26 0.53 3.04 -1.26 -4.92 114.94 106.01 1xsb s ASN 27 Ca -0.30 0.65 -0.04 0.00 0.04 0.00 0.00 52.86 53.22 1xsb s ASN 27 Cb 0.06 1.06 0.37 0.00 -1.54 0.00 0.00 41.25 41.20 1xsb s ASN 27 CO 0.42 -0.10 1.89 0.00 -3.04 0.00 0.00 177.10 176.27 1xsb h ALA 28 N 5.47 1.34 -4.33 1.71 0.00 -1.96 -3.41 119.26 118.08 1xsb h ALA 28 Ca -0.28 -0.03 -0.70 0.00 0.00 0.00 0.00 54.91 53.91 1xsb h ALA 28 Cb 1.18 -0.32 -0.31 0.00 0.00 0.00 0.00 17.79 18.35 1xsb h ALA 28 CO 0.19 0.47 -0.89 0.42 0.00 0.00 0.00 179.25 179.45 1xsb s ILE 29 N -6.06 2.07 0.19 0.00 1.01 -1.26 -2.90 121.20 114.25 1xsb s ILE 29 Ca -0.13 -1.08 0.10 0.00 0.00 0.00 0.00 60.65 59.54 1xsb s ILE 29 Cb 0.19 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.89 1xsb s ILE 29 CO 0.81 0.58 -0.20 -1.61 0.00 0.00 0.00 174.94 174.51 1xsb s GLU 30 N -0.41 1.40 0.18 2.79 2.02 -1.08 -4.14 118.70 119.46 1xsb s GLU 30 Ca 0.04 -1.48 0.10 0.00 0.02 0.00 0.00 54.97 53.65 1xsb s GLU 30 Cb -0.12 -1.55 -0.04 0.00 0.10 0.00 0.00 34.13 32.52 1xsb s GLU 30 CO 0.01 0.32 -0.20 -0.06 0.02 0.00 0.00 175.26 175.36 1xsb s PHE 31 N -1.97 2.42 -0.07 1.61 0.08 -0.63 0.11 117.98 119.53 1xsb s PHE 31 Ca 0.19 -0.31 -0.26 0.00 0.12 0.00 0.00 56.93 56.67 1xsb s PHE 31 Cb -0.06 -1.21 -0.03 0.00 -0.57 0.00 0.00 43.02 41.15 1xsb s PHE 31 CO 0.08 0.48 0.80 -1.17 -0.10 0.00 0.00 175.22 175.32 1xsb s LEU 32 N -2.63 4.30 -0.04 -0.37 2.96 -0.77 -3.70 118.68 118.44 1xsb s LEU 32 Ca 0.21 1.31 0.02 0.00 -0.22 0.00 0.00 54.13 55.46 1xsb s LEU 32 Cb -0.09 -3.24 0.01 0.00 0.50 0.00 0.00 46.19 43.37 1xsb s LEU 32 CO 0.11 -0.21 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.07 1xsb s LEU 33 N 1.12 1.71 -0.07 -0.68 1.43 -1.17 -4.56 118.68 116.45 1xsb s LEU 33 Ca 0.42 -0.23 -0.02 0.00 -1.03 0.00 0.00 54.13 53.26 1xsb s LEU 33 Cb -0.18 -0.67 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 1xsb s LEU 33 CO 0.20 0.05 0.04 -0.76 0.23 0.00 0.00 176.35 176.11 1xsb s LEU 34 N 0.39 3.75 -0.22 1.79 1.43 -1.05 -1.99 118.68 122.79 1xsb s LEU 34 Ca -0.08 0.18 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 1xsb s LEU 34 Cb -0.12 -1.96 -0.05 0.00 0.03 0.00 0.00 46.19 44.10 1xsb s LEU 34 CO 0.02 0.36 0.23 -1.58 0.23 0.00 0.00 176.35 175.60 1xsb s GLN 35 N -1.12 4.13 0.44 1.70 0.74 0.72 -2.11 119.66 124.16 1xsb s GLN 35 Ca 0.16 -0.10 -0.25 0.00 0.05 0.00 0.00 55.36 55.22 1xsb s GLN 35 Cb -0.12 -3.51 -0.08 0.00 1.10 0.00 0.00 33.01 30.40 1xsb s GLN 35 CO 0.05 0.09 1.32 0.00 -0.55 0.00 0.00 175.29 176.20 1xsb s ALA 36 N 0.97 3.18 -1.32 1.58 0.00 -1.16 -0.50 121.76 124.51 1xsb s ALA 36 Ca 0.12 1.26 0.30 0.00 0.00 0.00 0.00 51.96 53.64 1xsb s ALA 36 Cb -0.13 -3.51 1.37 0.00 0.00 0.00 0.00 23.12 20.85 1xsb s ALA 36 CO 0.04 -0.95 1.97 -1.13 0.00 0.00 0.00 175.76 175.70 1xsb n SER 37 N -0.13 0.08 -4.13 0.00 3.41 0.15 -4.49 113.62 108.50 1xsb n SER 37 Ca 0.05 -0.02 -0.13 0.00 -0.26 0.00 0.00 58.87 58.51 1xsb n SER 37 Cb 0.44 -0.30 -0.10 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.70 0.43 0.00 4.04 -0.00 -1.26 -4.98 116.67 112.20 1xsb s ASP 38 Ca 0.24 -1.43 0.00 0.00 -0.00 0.00 0.00 52.55 51.36 1xsb s ASP 38 Cb 0.20 0.38 0.00 0.00 -0.00 0.00 0.00 42.92 43.49 1xsb s ASP 38 CO 0.49 -0.85 0.00 0.61 -0.00 0.00 0.00 175.17 175.42 1xsb n GLY 39 N -0.33 -1.41 0.00 0.21 0.00 -1.26 -3.37 105.19 99.03 1xsb n GLY 39 Ca 0.02 -1.30 0.05 0.00 0.00 0.00 0.00 46.02 44.80 1xsb n GLY 39 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xsb n ILE 40 N 0.00 0.00 -3.21 -0.61 -5.35 -1.26 -4.80 119.36 104.13 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 -0.54 0.05 0.00 -1.74 0.00 0.00 39.64 37.42 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 -0.81 -1.98 -1.56 4.28 8.25 -1.22 -4.96 115.22 117.22 1xsb n HIS 41 Ca 0.08 0.68 -0.34 0.00 -0.26 0.00 0.00 57.72 57.87 1xsb n HIS 41 Cb 0.04 -3.87 0.08 0.00 1.12 0.00 0.00 29.99 27.35 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 -3.19 2.18 -0.16 4.41 -3.43 -1.26 -4.45 115.29 109.39 1xsb s HIS 42 Ca 0.39 1.58 -0.07 0.00 -0.80 0.00 0.00 55.06 56.16 1xsb s HIS 42 Cb -0.17 -3.43 -0.04 0.00 -1.43 0.00 0.00 32.58 27.51 1xsb s HIS 42 CO 0.48 -2.42 0.08 -1.58 -2.00 0.00 0.00 174.74 169.30 1xsb s TRP 43 N -1.98 3.32 -0.02 0.38 0.52 -1.26 -2.96 118.94 116.95 1xsb s TRP 43 Ca 0.74 0.21 -0.21 0.00 0.02 0.00 0.00 56.10 56.86 1xsb s TRP 43 Cb -0.28 -2.03 0.04 0.00 -1.15 0.00 0.00 33.47 30.05 1xsb s TRP 43 CO 0.43 0.32 0.44 0.95 0.02 0.00 0.00 176.95 179.11 1xsb s THR 44 N -0.05 0.04 0.88 2.01 -4.23 -0.90 -4.35 115.64 109.05 1xsb s THR 44 Ca 0.07 -0.32 -0.11 0.00 -1.18 0.00 0.00 61.69 60.16 1xsb s THR 44 Cb -0.12 -0.78 0.12 0.00 1.34 0.00 0.00 72.50 73.07 1xsb s THR 44 CO 0.01 -0.17 1.10 -2.16 -0.54 0.00 0.00 174.62 172.85 1xsb s PRO 45 N -1.40 1.34 -0.87 3.99 0.04 -1.26 -2.55 135.00 134.28 1xsb s PRO 45 Ca -0.12 1.13 -0.26 0.00 0.04 0.00 0.00 61.00 61.79 1xsb s PRO 45 Cb -0.03 -1.79 -0.20 0.00 0.04 0.00 0.00 34.50 32.51 1xsb s PRO 45 CO 0.05 -2.28 2.53 -2.30 0.04 0.00 0.00 177.00 175.05 1xsb n PRO 46 N -3.95 0.27 -3.69 0.56 -0.02 -1.26 -4.78 135.00 122.14 1xsb n PRO 46 Ca 0.09 -0.06 -0.36 0.00 -2.02 0.00 0.00 63.50 61.15 1xsb n PRO 46 Cb 0.54 -2.01 -0.07 0.00 -0.02 0.00 0.00 33.50 31.94 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 8.51 4.09 0.23 -0.52 1.02 -1.26 -2.90 119.74 128.90 1xsb s LYS 47 Ca 1.24 -0.09 -0.01 0.00 0.02 0.00 0.00 55.97 57.13 1xsb s LYS 47 Cb -0.87 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.03 1xsb s LYS 47 CO 0.42 0.37 0.22 0.20 -0.92 0.00 0.00 175.35 175.64 1xsb s GLY 48 N 0.13 1.46 -0.13 -3.33 0.00 -1.15 -5.00 107.32 99.30 1xsb s GLY 48 Ca 0.12 -1.64 -0.03 0.00 0.00 0.00 0.00 44.72 43.17 1xsb s GLY 48 CO 0.01 -1.29 -0.01 0.30 0.00 0.00 0.00 173.10 172.11 1xsb s HIS 49 N -3.98 3.11 0.12 1.90 3.76 -1.26 -2.08 115.29 116.85 1xsb s HIS 49 Ca 0.37 -0.03 -0.24 0.00 -0.15 0.00 0.00 55.06 55.01 1xsb s HIS 49 Cb 0.05 -1.89 -0.07 0.00 1.11 0.00 0.00 32.58 31.78 1xsb s HIS 49 CO 0.14 0.22 0.74 0.54 -0.85 0.00 0.00 174.74 175.53 1xsb s VAL 50 N -0.21 4.53 0.34 -0.90 0.11 -1.23 -4.91 120.40 118.12 1xsb s VAL 50 Ca 0.05 1.61 -0.06 0.00 -2.93 0.00 0.00 61.98 60.65 1xsb s VAL 50 Cb -0.13 -4.10 0.08 0.00 -1.53 0.00 0.00 36.38 30.71 1xsb s VAL 50 CO 0.02 0.48 0.36 1.21 -3.33 0.00 0.00 175.10 173.84 1xsb n GLU 51 N 1.97 -1.15 0.01 1.54 4.07 -1.26 -4.90 120.64 120.93 1xsb n GLU 51 Ca -0.05 -0.56 -0.01 0.00 -0.06 0.00 0.00 57.16 56.48 1xsb n GLU 51 Cb 0.49 -0.46 -0.00 0.00 -0.06 0.00 0.00 31.44 31.41 1xsb n GLU 51 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 1xsb h PRO 52 N 0.00 -0.05 -0.39 5.31 0.13 -1.98 -3.30 132.00 131.72 1xsb h PRO 52 Ca -0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 1xsb h PRO 52 Cb 0.37 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.51 1xsb h PRO 52 CO 0.08 -0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.23 1xsb n GLY 53 N 1.37 -0.02 3.86 1.56 0.00 -1.26 -4.82 105.19 105.87 1xsb n GLY 53 Ca -0.01 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.62 3.94 0.73 1.61 2.12 -1.24 -5.06 118.70 119.19 1xsb s GLU 54 Ca 0.00 0.58 -0.11 0.00 0.36 0.00 0.00 54.97 55.80 1xsb s GLU 54 Cb 0.00 -2.46 0.03 0.00 0.26 0.00 0.00 34.13 31.96 1xsb s GLU 54 CO 0.00 0.16 1.07 0.34 -0.54 0.00 0.00 175.26 176.30 1xsb s ASP 55 N -2.39 5.04 -0.06 -1.70 3.68 -1.26 -4.74 116.67 115.24 1xsb s ASP 55 Ca 0.53 1.48 -0.07 0.00 2.13 0.00 0.00 52.55 56.62 1xsb s ASP 55 Cb -0.10 -2.30 -0.04 0.00 -1.45 0.00 0.00 42.92 39.03 1xsb s ASP 55 CO 0.20 -1.64 0.30 -2.24 0.13 0.00 0.00 175.17 171.91 1xsb h ASP 56 N -0.86 -0.21 -0.57 -0.34 -0.00 -1.97 -3.04 116.42 109.45 1xsb h ASP 56 Ca -0.45 0.01 -0.01 0.00 -0.00 0.00 0.00 57.03 56.58 1xsb h ASP 56 Cb 1.23 0.05 -0.03 0.00 -0.00 0.00 0.00 39.33 40.59 1xsb h ASP 56 CO 0.58 0.22 0.33 0.25 -0.00 0.00 0.00 179.24 180.61 1xsb h LEU 57 N -0.97 0.69 -1.01 0.15 5.85 -1.97 -2.07 115.31 115.98 1xsb h LEU 57 Ca -0.02 -0.07 0.16 0.00 0.84 0.00 0.00 57.88 58.78 1xsb h LEU 57 Cb 0.19 -0.18 -0.10 0.00 0.37 0.00 0.00 40.66 40.94 1xsb h LEU 57 CO 0.04 0.56 0.62 -0.33 -0.34 0.00 0.00 178.44 179.00 1xsb h GLU 58 N 0.76 0.83 -0.93 1.25 3.07 -1.98 0.71 114.58 118.30 1xsb h GLU 58 Ca 0.20 -0.05 0.04 0.00 -0.50 0.00 0.00 59.36 59.05 1xsb h GLU 58 Cb 0.01 -0.19 -0.06 0.00 -0.84 0.00 0.00 28.75 27.68 1xsb h GLU 58 CO -0.04 0.55 0.60 1.15 -1.40 0.00 0.00 179.01 179.88 1xsb h THR 59 N 0.86 1.13 -0.37 1.13 2.02 -1.25 1.13 112.91 117.56 1xsb h THR 59 Ca 0.55 -0.39 -0.10 0.00 0.77 0.00 0.00 66.41 67.24 1xsb h THR 59 Cb 0.74 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 1xsb h THR 59 CO -0.34 0.21 -0.15 0.00 0.37 0.00 0.00 175.52 175.61 1xsb h ALA 60 N 1.40 0.52 0.02 6.16 0.00 0.32 -0.81 119.26 126.86 1xsb h ALA 60 Ca 0.38 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xsb h ALA 60 Cb 0.05 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1xsb h ALA 60 CO -0.14 0.43 -0.02 -0.07 0.00 0.00 0.00 179.25 179.46 1xsb h LEU 61 N 0.56 -0.05 -0.71 0.00 3.38 0.14 0.24 115.31 118.87 1xsb h LEU 61 Ca 0.09 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1xsb h LEU 61 Cb 0.68 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1xsb h LEU 61 CO 0.05 -0.03 0.46 -0.09 0.09 0.00 0.00 178.44 178.92 1xsb h ARG 62 N -0.04 0.91 -0.04 1.13 2.43 0.14 -2.40 114.38 116.51 1xsb h ARG 62 Ca 0.00 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 58.97 1xsb h ARG 62 Cb 0.04 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 1xsb h ARG 62 CO -0.01 0.60 -0.65 0.00 -1.51 0.00 0.00 179.97 178.40 1xsb h ALA 63 N 1.27 0.85 -0.35 2.80 0.00 -0.84 -2.19 119.26 120.80 1xsb h ALA 63 Ca 0.27 -0.58 0.04 0.00 0.00 0.00 0.00 54.91 54.63 1xsb h ALA 63 Cb -0.07 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1xsb h ALA 63 CO -0.07 0.78 0.14 1.15 0.00 0.00 0.00 179.25 181.24 1xsb h THR 64 N 0.10 0.93 0.18 0.00 2.02 -0.02 0.11 112.91 116.23 1xsb h THR 64 Ca -0.01 -0.10 -0.30 0.00 0.77 0.00 0.00 66.41 66.76 1xsb h THR 64 Cb 1.16 0.60 0.02 0.00 -1.74 0.00 0.00 68.15 68.19 1xsb h THR 64 CO 0.09 0.05 -1.37 0.06 0.37 0.00 0.00 175.52 174.73 1xsb h GLN 65 N 0.30 0.38 -0.77 6.66 -0.00 -0.69 0.95 115.11 121.94 1xsb h GLN 65 Ca 0.15 -0.65 -0.05 0.00 -0.00 0.00 0.00 58.65 58.11 1xsb h GLN 65 Cb 0.11 0.24 -0.03 0.00 -0.00 0.00 0.00 27.48 27.80 1xsb h GLN 65 CO -0.14 1.30 0.29 0.93 -0.00 0.00 0.00 178.83 181.21 1xsb h GLU 66 N 0.10 1.15 -0.02 0.06 5.08 -1.21 2.72 114.58 122.47 1xsb h GLU 66 Ca -0.20 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 1xsb h GLU 66 Cb 2.06 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 31.13 1xsb h GLU 66 CO 0.23 0.94 -0.29 0.39 -1.00 0.00 0.00 179.01 179.28 1xsb n GLU 67 N -4.27 1.59 0.00 2.33 -0.58 0.36 -4.35 120.64 115.72 1xsb n GLU 67 Ca 0.07 -1.25 0.00 0.00 -0.42 0.00 0.00 57.16 55.55 1xsb n GLU 67 Cb 0.20 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 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 0.40 0.52 -0.11 0.62 0.00 0.52 -4.10 120.51 118.36 1xsb n ALA 68 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1xsb n ALA 68 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.94 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 0.37 1.35 3.70 0.00 0.00 0.91 0.52 105.19 112.04 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 -2.61 5.38 0.44 -0.61 1.01 -1.21 -4.73 121.20 118.87 1xsb s ILE 70 Ca 0.00 0.18 0.06 0.00 0.00 0.00 0.00 60.65 60.89 1xsb s ILE 70 Cb 0.00 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.95 1xsb s ILE 70 CO 0.00 0.40 0.14 -1.83 0.00 0.00 0.00 174.94 173.65 1xsb s GLU 71 N 0.67 2.17 0.38 2.79 -1.05 -1.26 -0.63 118.70 121.76 1xsb s GLU 71 Ca 0.08 -2.01 0.15 0.00 -0.15 0.00 0.00 54.97 53.04 1xsb s GLU 71 Cb -0.12 -1.85 1.00 0.00 -0.44 0.00 0.00 34.13 32.72 1xsb s GLU 71 CO 0.01 -0.19 1.80 0.00 0.95 0.00 0.00 175.26 177.83 1xsb h ALA 72 N 1.42 2.07 -0.05 -0.84 0.00 -1.87 1.68 119.26 121.67 1xsb h ALA 72 Ca -0.43 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.55 1xsb h ALA 72 Cb 1.26 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xsb h ALA 72 CO 0.72 -0.43 0.06 0.78 0.00 0.00 0.00 179.25 180.38 1xsb h GLY 73 N 0.50 0.00 -0.16 0.00 0.00 -1.99 -0.93 103.07 100.49 1xsb h GLY 73 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1xsb h GLY 73 CO -0.28 0.00 -0.85 -1.06 0.00 0.00 0.00 176.54 174.36 1xsb n GLN 74 N -3.80 0.64 -2.30 4.80 6.02 0.55 -4.99 117.38 118.30 1xsb n GLN 74 Ca -0.02 -0.16 -0.03 0.00 -0.01 0.00 0.00 57.00 56.78 1xsb n GLN 74 Cb 0.16 -1.43 -0.01 0.00 1.02 0.00 0.00 30.24 29.98 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 -1.22 0.00 -3.67 1.08 -0.00 -0.17 -1.44 117.00 111.58 1xsb n LEU 75 Ca 0.05 -0.38 -0.29 0.00 -0.00 0.00 0.00 56.01 55.39 1xsb n LEU 75 Cb 0.33 0.10 -0.16 0.00 -0.00 0.00 0.00 43.42 43.70 1xsb n LEU 75 CO 0.38 -0.06 -0.34 -0.89 -0.00 0.00 0.00 177.39 176.48 1xsb s THR 76 N -1.58 0.41 0.08 1.47 2.01 -0.01 -4.79 115.64 113.23 1xsb s THR 76 Ca 0.02 -0.84 -0.31 0.00 0.31 0.00 0.00 61.69 60.87 1xsb s THR 76 Cb 0.00 -1.17 -0.07 0.00 0.01 0.00 0.00 72.50 71.27 1xsb s THR 76 CO 0.01 -0.51 1.33 -0.63 -0.69 0.00 0.00 174.62 174.13 1xsb s ILE 77 N 1.88 3.62 0.11 1.82 -1.09 -1.26 -2.23 121.20 124.04 1xsb s ILE 77 Ca 0.05 1.14 -0.22 0.00 -2.23 0.00 0.00 60.65 59.40 1xsb s ILE 77 Cb -0.17 -3.73 -0.07 0.00 -1.58 0.00 0.00 42.46 36.91 1xsb s ILE 77 CO -0.21 0.07 0.66 -0.63 -1.23 0.00 0.00 174.94 173.59 1xsb s ILE 78 N 1.32 4.59 0.09 2.92 1.09 0.17 -4.97 121.20 126.40 1xsb s ILE 78 Ca 0.62 1.42 0.01 0.00 -1.10 0.00 0.00 60.65 61.61 1xsb s ILE 78 Cb -0.33 -4.00 -0.04 0.00 -1.06 0.00 0.00 42.46 37.03 1xsb s ILE 78 CO 0.29 0.54 0.22 -1.61 -0.10 0.00 0.00 174.94 174.28 1xsb s GLU 79 N -1.10 3.39 0.00 2.79 2.02 -1.26 -4.35 118.70 120.18 1xsb s GLU 79 Ca 0.32 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.80 1xsb s GLU 79 Cb -0.21 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.03 1xsb s GLU 79 CO 0.22 0.58 0.00 0.41 0.02 0.00 0.00 175.26 176.49 1xsb n GLY 80 N 0.05 3.25 3.42 -1.39 0.00 -1.26 -5.04 105.19 104.23 1xsb n GLY 80 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.85 3.01 -0.20 1.61 2.19 -1.26 -5.08 117.98 115.40 1xsb s PHE 81 Ca 0.00 -0.53 -0.14 0.00 0.33 0.00 0.00 56.93 56.58 1xsb s PHE 81 Cb 0.00 -2.06 0.06 0.00 -1.31 0.00 0.00 43.02 39.70 1xsb s PHE 81 CO 0.00 -0.27 0.51 0.21 1.83 0.00 0.00 175.22 177.49 1xsb s LYS 82 N 0.99 0.54 -0.23 10.12 2.20 -1.26 -4.64 119.74 127.46 1xsb s LYS 82 Ca 0.01 0.83 -0.27 0.00 -0.36 0.00 0.00 55.97 56.19 1xsb s LYS 82 Cb -0.14 0.15 0.10 0.00 -1.51 0.00 0.00 37.83 36.43 1xsb s LYS 82 CO 0.01 -0.12 0.90 0.50 -0.36 0.00 0.00 175.35 176.28 1xsb s ARG 83 N 0.93 0.68 -0.03 4.03 3.52 -1.24 -5.02 118.95 121.82 1xsb s ARG 83 Ca -0.05 0.59 0.06 0.00 -0.13 0.00 0.00 55.73 56.20 1xsb s ARG 83 Cb -0.06 0.33 -0.01 0.00 -1.56 0.00 0.00 34.95 33.65 1xsb s ARG 83 CO -0.08 -0.12 -0.22 -1.83 -0.81 0.00 0.00 175.30 172.23 1xsb s GLU 84 N -0.12 2.01 -0.23 5.12 1.03 -1.24 -0.44 118.70 124.83 1xsb s GLU 84 Ca -0.00 -0.81 -0.17 0.00 0.03 0.00 0.00 54.97 54.02 1xsb s GLU 84 Cb -0.04 -1.84 -0.03 0.00 -0.80 0.00 0.00 34.13 31.42 1xsb s GLU 84 CO -0.01 0.43 0.48 -0.51 -1.33 0.00 0.00 175.26 174.32 1xsb s LEU 85 N -0.36 4.10 -0.11 1.83 1.43 0.28 -4.67 118.68 121.17 1xsb s LEU 85 Ca 0.04 0.54 0.02 0.00 -1.03 0.00 0.00 54.13 53.69 1xsb s LEU 85 Cb -0.10 -2.62 0.02 0.00 0.03 0.00 0.00 46.19 43.51 1xsb s LEU 85 CO 0.01 -0.21 -0.15 0.54 0.23 0.00 0.00 176.35 176.77 1xsb s ASN 86 N 1.35 2.48 -0.02 2.29 2.20 -1.25 -0.16 114.94 121.83 1xsb s ASN 86 Ca 0.21 -0.44 -0.29 0.00 -0.94 0.00 0.00 52.86 51.41 1xsb s ASN 86 Cb -0.15 -1.11 0.10 0.00 -2.00 0.00 0.00 41.25 38.09 1xsb s ASN 86 CO 0.09 0.01 0.82 -0.72 -2.94 0.00 0.00 177.10 174.36 1xsb s TYR 87 N 1.03 -0.45 -0.39 1.54 -0.85 -1.22 -4.88 117.35 112.13 1xsb s TYR 87 Ca -0.06 0.53 -0.02 0.00 -0.52 0.00 0.00 57.07 57.01 1xsb s TYR 87 Cb -0.15 0.49 0.10 0.00 0.38 0.00 0.00 41.96 42.79 1xsb s TYR 87 CO -0.02 -0.56 0.16 0.54 -1.52 0.00 0.00 175.55 174.14 1xsb s VAL 88 N -2.32 3.15 0.00 -3.49 0.11 -1.26 -1.62 120.40 114.96 1xsb s VAL 88 Ca -0.01 -1.99 0.00 0.00 -2.93 0.00 0.00 61.98 57.05 1xsb s VAL 88 Cb -0.01 -3.13 0.00 0.00 -1.53 0.00 0.00 36.38 31.72 1xsb s VAL 88 CO -0.03 -0.60 0.03 0.00 -3.33 0.00 0.00 175.10 171.17 1xsb n ALA 89 N 4.56 0.00 0.23 1.54 0.00 -1.25 -4.54 120.51 121.05 1xsb n ALA 89 Ca -0.03 0.00 -0.15 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 19.79 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 -0.65 0.00 0.00 2.43 -2.04 -3.43 114.38 110.68 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 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1xsb h ARG 90 CO 0.00 -0.44 0.00 -1.71 -1.51 0.00 0.00 179.97 176.31 1xsb n ASN 91 N -5.43 0.00 -3.83 -3.80 5.15 -1.26 -5.13 115.26 100.96 1xsb n ASN 91 Ca -0.10 -0.09 -0.20 0.00 -0.60 0.00 0.00 54.58 53.59 1xsb n ASN 91 Cb 0.33 0.00 -0.17 0.00 -0.53 0.00 0.00 39.78 39.41 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 0.63 0.37 1.20 2.47 -1.26 -5.06 119.74 118.08 1xsb s LYS 92 Ca 0.00 0.01 -0.24 0.00 -1.56 0.00 0.00 55.97 54.18 1xsb s LYS 92 Cb 0.00 -0.80 -0.10 0.00 -1.46 0.00 0.00 37.83 35.48 1xsb s LYS 92 CO 0.00 -0.17 0.99 -1.25 0.16 0.00 0.00 175.35 175.08 1xsb s PRO 93 N 1.29 4.37 -0.11 4.03 0.04 -1.26 -3.80 135.00 139.57 1xsb s PRO 93 Ca -0.05 1.37 -0.03 0.00 0.04 0.00 0.00 61.00 62.32 1xsb s PRO 93 Cb -0.13 -2.60 0.05 0.00 0.04 0.00 0.00 34.50 31.85 1xsb s PRO 93 CO -0.02 0.07 0.09 0.21 0.04 0.00 0.00 177.00 177.39 1xsb s LYS 94 N -2.41 0.01 -0.10 4.56 2.20 -0.64 -2.47 119.74 120.89 1xsb s LYS 94 Ca 0.55 0.21 -0.26 0.00 -0.36 0.00 0.00 55.97 56.11 1xsb s LYS 94 Cb -0.18 -1.03 -0.02 0.00 -1.51 0.00 0.00 37.83 35.08 1xsb s LYS 94 CO 0.23 -0.48 0.84 0.99 -0.36 0.00 0.00 175.35 176.58 1xsb s THR 95 N 2.18 4.92 -0.20 3.43 2.01 -0.91 -3.46 115.64 123.60 1xsb s THR 95 Ca 0.04 1.70 0.01 0.00 0.31 0.00 0.00 61.69 63.75 1xsb s THR 95 Cb -0.14 -4.16 0.04 0.00 0.01 0.00 0.00 72.50 68.25 1xsb s THR 95 CO -0.06 0.11 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.16 1xsb s VAL 96 N 1.53 1.85 -0.19 3.82 1.01 0.77 -0.65 120.40 128.55 1xsb s VAL 96 Ca 0.42 -1.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.10 1xsb s VAL 96 Cb -0.18 -1.86 -0.03 0.00 0.00 0.00 0.00 36.38 34.31 1xsb s VAL 96 CO 0.18 0.24 0.55 -0.63 0.00 0.00 0.00 175.10 175.43 1xsb s ILE 97 N 1.31 5.09 -0.10 2.22 -1.09 -0.93 0.99 121.20 128.69 1xsb s ILE 97 Ca -0.01 1.03 0.00 0.00 -2.23 0.00 0.00 60.65 59.44 1xsb s ILE 97 Cb -0.16 -3.87 -0.02 0.00 -1.58 0.00 0.00 42.46 36.83 1xsb s ILE 97 CO -0.09 0.18 -0.10 -0.31 -1.23 0.00 0.00 174.94 173.39 1xsb s TYR 98 N 1.56 2.86 -0.00 3.97 2.02 0.42 -2.30 117.35 125.88 1xsb s TYR 98 Ca 0.26 -0.32 0.07 0.00 -0.37 0.00 0.00 57.07 56.71 1xsb s TYR 98 Cb -0.16 -1.79 -0.03 0.00 -0.40 0.00 0.00 41.96 39.59 1xsb s TYR 98 CO 0.10 0.03 -0.22 -1.58 -1.57 0.00 0.00 175.55 172.31 1xsb s TRP 99 N -0.14 2.45 0.22 2.71 0.51 -1.25 -3.74 118.94 119.70 1xsb s TRP 99 Ca 0.00 -0.34 -0.30 0.00 -2.12 0.00 0.00 56.10 53.35 1xsb s TRP 99 Cb -0.13 -1.50 -0.08 0.00 -0.81 0.00 0.00 33.47 30.94 1xsb s TRP 99 CO 0.03 0.10 0.98 -0.51 -0.51 0.00 0.00 176.95 177.04 1xsb s LEU 100 N -0.92 4.60 0.03 2.99 1.43 -1.25 -1.36 118.68 124.19 1xsb s LEU 100 Ca 0.12 1.99 -0.00 0.00 -1.03 0.00 0.00 54.13 55.20 1xsb s LEU 100 Cb -0.10 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1xsb s LEU 100 CO 0.01 0.04 -0.03 0.00 0.23 0.00 0.00 176.35 176.60 1xsb s ALA 101 N -0.90 0.29 -0.12 4.21 0.00 0.24 0.42 121.76 125.90 1xsb s ALA 101 Ca 0.43 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1xsb s ALA 101 Cb -0.27 0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.05 1xsb s ALA 101 CO 0.33 -0.21 -0.11 -2.00 0.00 0.00 0.00 175.76 173.77 1xsb s GLU 102 N -2.24 1.88 0.12 0.00 2.12 -0.95 0.37 118.70 120.00 1xsb s GLU 102 Ca -0.08 -0.41 -0.29 0.00 0.36 0.00 0.00 54.97 54.55 1xsb s GLU 102 Cb -0.04 -1.76 -0.06 0.00 0.26 0.00 0.00 34.13 32.52 1xsb s GLU 102 CO -0.04 -0.19 0.92 0.14 -0.54 0.00 0.00 175.26 175.56 1xsb s VAL 103 N 1.40 4.48 0.38 3.70 -7.23 -1.26 -0.83 120.40 121.04 1xsb s VAL 103 Ca 0.01 2.00 0.08 0.00 -1.81 0.00 0.00 61.98 62.25 1xsb s VAL 103 Cb -0.13 -4.29 0.19 0.00 0.56 0.00 0.00 36.38 32.71 1xsb s VAL 103 CO -0.06 0.35 1.95 0.11 -0.31 0.00 0.00 175.10 177.13 1xsb h LYS 104 N 5.40 0.39 -5.78 4.82 1.79 -1.59 -3.43 116.57 118.16 1xsb h LYS 104 Ca -0.43 -0.07 -0.67 0.00 -2.18 0.00 0.00 60.65 57.30 1xsb h LYS 104 Cb 1.21 -0.07 -0.21 0.00 -1.58 0.00 0.00 32.23 31.59 1xsb h LYS 104 CO 0.71 0.41 -0.69 0.34 -1.08 0.00 0.00 179.45 179.14 1xsb s ASP 105 N -6.80 4.61 0.15 0.86 3.68 -1.26 -4.98 116.67 112.93 1xsb s ASP 105 Ca -0.07 -0.09 -0.12 0.00 2.13 0.00 0.00 52.55 54.40 1xsb s ASP 105 Cb 0.16 -1.41 0.01 0.00 -1.45 0.00 0.00 42.92 40.23 1xsb s ASP 105 CO 0.74 0.28 1.58 0.22 0.13 0.00 0.00 175.17 178.12 1xsb h TYR 106 N 5.88 1.02 -0.28 -5.34 3.20 -2.01 -1.18 116.97 118.25 1xsb h TYR 106 Ca -0.40 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.27 1xsb h TYR 106 Cb 1.18 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.20 1xsb h TYR 106 CO 0.55 0.97 0.00 -0.40 -1.64 0.00 0.00 178.16 177.64 1xsb n ASP 107 N -4.26 2.43 -4.40 -2.11 3.85 -1.26 -4.94 116.55 105.86 1xsb n ASP 107 Ca 0.01 -2.22 -0.44 0.00 -0.71 0.00 0.00 54.79 51.43 1xsb n ASP 107 Cb 0.36 -0.42 -0.01 0.00 -1.35 0.00 0.00 41.12 39.71 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 0.34 1.47 -1.96 2.12 3.14 -0.45 -4.79 118.33 118.20 1xsb n VAL 108 Ca 0.11 -0.50 -0.38 0.00 -2.96 0.00 0.00 64.34 60.61 1xsb n VAL 108 Cb 0.48 -0.25 0.02 0.00 -1.06 0.00 0.00 33.84 33.03 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 -1.22 3.46 -0.23 1.45 -1.05 -1.26 -5.00 118.70 114.84 1xsb s GLU 109 Ca 0.62 2.09 0.02 0.00 -0.15 0.00 0.00 54.97 57.55 1xsb s GLU 109 Cb -0.71 -2.38 0.05 0.00 -0.44 0.00 0.00 34.13 30.65 1xsb s GLU 109 CO 0.59 -0.89 -0.09 0.42 0.95 0.00 0.00 175.26 176.24 1xsb s ILE 110 N -1.37 1.82 -0.35 1.83 -1.09 -1.24 -4.35 121.20 116.45 1xsb s ILE 110 Ca 0.67 -1.30 -0.11 0.00 -2.23 0.00 0.00 60.65 57.68 1xsb s ILE 110 Cb -0.37 -1.95 0.01 0.00 -1.58 0.00 0.00 42.46 38.57 1xsb s ILE 110 CO 0.44 0.03 0.20 -0.13 -1.23 0.00 0.00 174.94 174.25 1xsb s ARG 111 N 1.28 3.10 -0.10 2.79 0.52 1.99 -4.86 118.95 123.68 1xsb s ARG 111 Ca -0.05 -0.89 -0.05 0.00 -0.52 0.00 0.00 55.73 54.22 1xsb s ARG 111 Cb -0.18 -3.69 -0.04 0.00 0.52 0.00 0.00 34.95 31.56 1xsb s ARG 111 CO -0.07 -0.57 0.08 -0.51 0.02 0.00 0.00 175.30 174.26 1xsb s LEU 112 N 1.60 4.04 0.61 2.53 1.43 -1.26 -0.36 118.68 127.28 1xsb s LEU 112 Ca 0.04 0.33 0.01 0.00 -1.03 0.00 0.00 54.13 53.47 1xsb s LEU 112 Cb -0.18 -1.96 0.07 0.00 0.03 0.00 0.00 46.19 44.14 1xsb s LEU 112 CO 0.07 0.40 0.85 -0.94 0.23 0.00 0.00 176.35 176.96 1xsb s SER 113 N -0.98 4.95 0.49 2.29 1.04 -1.26 -4.87 113.70 115.38 1xsb s SER 113 Ca 0.14 -0.15 0.29 0.00 0.48 0.00 0.00 55.95 56.71 1xsb s SER 113 Cb -0.12 -0.55 1.38 0.00 0.10 0.00 0.00 66.02 66.84 1xsb s SER 113 CO 0.03 -1.40 1.83 -0.74 0.98 0.00 0.00 173.24 173.94 1xsb h HIS 114 N -0.14 0.21 -0.24 5.02 2.76 -1.99 0.62 115.15 121.40 1xsb h HIS 114 Ca -0.40 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 57.76 1xsb h HIS 114 Cb 1.29 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 30.17 1xsb h HIS 114 CO 0.19 0.03 0.06 0.93 -1.30 0.00 0.00 177.93 177.83 1xsb h GLU 115 N 0.13 0.33 -6.37 5.26 5.08 -1.95 -3.40 114.58 113.67 1xsb h GLU 115 Ca 0.52 -0.04 -0.69 0.00 -1.00 0.00 0.00 59.36 58.15 1xsb h GLU 115 Cb 1.82 -0.06 -0.24 0.00 0.50 0.00 0.00 28.75 30.76 1xsb h GLU 115 CO -0.10 0.31 -0.79 -1.01 -1.00 0.00 0.00 179.01 176.43 1xsb s HIS 116 N -5.11 2.65 -0.06 4.33 3.76 0.21 0.33 115.29 121.41 1xsb s HIS 116 Ca -0.07 -0.20 0.08 0.00 -0.15 0.00 0.00 55.06 54.73 1xsb s HIS 116 Cb 0.16 -1.61 -0.12 0.00 1.11 0.00 0.00 32.58 32.13 1xsb s HIS 116 CO 0.72 0.15 0.09 0.00 -0.85 0.00 0.00 174.74 174.86 1xsb n GLN 117 N 2.33 1.79 -3.60 1.40 10.64 0.34 -4.02 117.38 126.26 1xsb n GLN 117 Ca -0.17 -0.03 -0.11 0.00 -1.83 0.00 0.00 57.00 54.86 1xsb n GLN 117 Cb 0.52 -1.22 -0.04 0.00 -0.86 0.00 0.00 30.24 28.64 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 -2.36 -1.05 0.07 2.61 0.00 -1.23 -4.98 121.76 114.81 1xsb s ALA 118 Ca -0.04 0.07 0.02 0.00 0.00 0.00 0.00 51.96 52.01 1xsb s ALA 118 Cb 0.04 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.82 1xsb s ALA 118 CO 0.36 -0.65 -0.07 1.52 0.00 0.00 0.00 175.76 176.92 1xsb s TYR 119 N -3.70 0.78 0.03 0.00 1.13 -1.26 0.26 117.35 114.59 1xsb s TYR 119 Ca 0.02 -0.77 0.01 0.00 -1.41 0.00 0.00 57.07 54.92 1xsb s TYR 119 Cb 0.01 -0.46 -0.02 0.00 -1.10 0.00 0.00 41.96 40.39 1xsb s TYR 119 CO -0.12 -0.14 -0.05 1.03 -2.51 0.00 0.00 175.55 173.77 1xsb s ARG 120 N -2.98 0.43 -0.39 -3.49 0.52 -0.84 -4.98 118.95 107.22 1xsb s ARG 120 Ca 0.03 -0.73 -0.09 0.00 -0.52 0.00 0.00 55.73 54.42 1xsb s ARG 120 Cb -0.00 -0.05 0.06 0.00 0.52 0.00 0.00 34.95 35.48 1xsb s ARG 120 CO -0.03 -0.02 0.20 -1.58 0.02 0.00 0.00 175.30 173.90 1xsb s TRP 121 N -1.67 3.30 0.39 -0.53 0.52 -1.26 -3.03 118.94 116.66 1xsb s TRP 121 Ca -0.11 -1.42 0.04 0.00 0.02 0.00 0.00 56.10 54.63 1xsb s TRP 121 Cb -0.08 -2.67 -0.04 0.00 -1.15 0.00 0.00 33.47 29.52 1xsb s TRP 121 CO -0.01 -0.78 0.07 -0.51 0.02 0.00 0.00 176.95 175.74 1xsb s LEU 122 N 1.44 2.18 0.00 2.99 1.02 -1.24 -4.92 118.68 120.14 1xsb s LEU 122 Ca 0.02 -1.53 -0.09 0.00 0.02 0.00 0.00 54.13 52.55 1xsb s LEU 122 Cb -0.21 -0.37 0.16 0.00 0.02 0.00 0.00 46.19 45.79 1xsb s LEU 122 CO 0.03 -0.75 0.99 0.61 0.02 0.00 0.00 176.35 177.25 1xsb n GLY 123 N -0.88 -0.66 0.36 -3.19 0.00 -1.26 -1.60 105.19 97.96 1xsb n GLY 123 Ca -0.06 -1.82 0.03 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 0.91 0.42 0.99 5.85 -1.95 0.31 115.31 121.85 1xsb h LEU 124 Ca -0.32 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 1xsb h LEU 124 Cb 0.98 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1xsb h LEU 124 CO 0.26 0.61 -0.20 1.05 -0.34 0.00 0.00 178.44 179.83 1xsb h GLU 125 N 1.05 -0.54 -0.08 1.25 4.11 -1.95 0.20 114.58 118.62 1xsb h GLU 125 Ca 0.36 0.04 -0.04 0.00 0.07 0.00 0.00 59.36 59.79 1xsb h GLU 125 Cb 0.09 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1xsb h GLU 125 CO -0.12 -0.32 -0.09 0.93 0.07 0.00 0.00 179.01 179.48 1xsb h GLU 126 N -0.64 0.21 -0.93 1.06 3.07 -1.87 0.47 114.58 115.96 1xsb h GLU 126 Ca -0.06 -0.11 0.23 0.00 -0.50 0.00 0.00 59.36 58.92 1xsb h GLU 126 Cb 0.47 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.32 1xsb h GLU 126 CO 0.09 0.65 0.62 0.00 -1.40 0.00 0.00 179.01 178.97 1xsb h ALA 127 N 0.56 2.35 0.09 3.43 0.00 -0.38 0.66 119.26 125.96 1xsb h ALA 127 Ca 0.01 0.01 -0.29 0.00 0.00 0.00 0.00 54.91 54.65 1xsb h ALA 127 Cb 0.61 0.00 0.03 0.00 0.00 0.00 0.00 17.79 18.43 1xsb h ALA 127 CO 0.02 -0.65 -1.19 0.00 0.00 0.00 0.00 179.25 177.43 1xsb h GLN 129 N 0.31 -0.11 -0.39 0.00 -0.00 0.50 -2.85 115.11 112.56 1xsb h GLN 129 Ca -0.17 0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.46 1xsb h GLN 129 Cb 1.86 0.03 -0.02 0.00 -0.00 0.00 0.00 27.48 29.35 1xsb h GLN 129 CO 0.23 -0.03 0.14 -0.07 -0.00 0.00 0.00 178.83 179.10 1xsb h LEU 130 N -0.16 0.55 -4.77 0.06 3.38 -0.32 -2.93 115.31 111.12 1xsb h LEU 130 Ca -0.01 -0.18 -0.34 0.00 0.09 0.00 0.00 57.88 57.43 1xsb h LEU 130 Cb 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1xsb h LEU 130 CO 0.02 0.58 1.63 0.00 0.09 0.00 0.00 178.44 180.76 1xsb n ALA 131 N -2.31 5.62 -0.51 1.53 0.00 -0.48 -4.02 120.51 120.35 1xsb n ALA 131 Ca -0.00 -2.10 0.40 0.00 0.00 0.00 0.00 53.44 51.74 1xsb n ALA 131 Cb 0.16 -2.77 0.65 0.00 0.00 0.00 0.00 19.45 17.49 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 3.31 -0.02 -1.68 0.00 0.00 -1.11 -4.11 117.38 113.76 1xsb n GLN 132 Ca 0.48 1.05 -0.44 0.00 0.00 0.00 0.00 57.00 58.08 1xsb n GLN 132 Cb 0.42 -2.19 -0.04 0.00 0.00 0.00 0.00 30.24 28.43 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 -4.15 2.49 -0.33 2.61 3.01 -1.26 -4.84 117.46 114.98 1xsb n PHE 133 Ca 0.37 -0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.87 1xsb n PHE 133 Cb 1.55 -2.67 0.19 0.00 -0.01 0.00 0.00 39.48 38.55 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 7.86 0.92 -0.50 -1.08 3.64 -1.97 -2.10 116.57 123.35 1xsb h LYS 134 Ca -0.46 -0.06 0.07 0.00 -1.27 0.00 0.00 60.65 58.93 1xsb h LYS 134 Cb 1.24 -0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 32.79 1xsb h LYS 134 CO 0.93 0.61 0.18 0.93 -2.27 0.00 0.00 179.45 179.84 1xsb h GLU 135 N 0.95 0.35 -0.45 1.90 3.07 -1.89 -1.51 114.58 117.00 1xsb h GLU 135 Ca 0.44 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 59.17 1xsb h GLU 135 Cb 0.37 -0.08 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 1xsb h GLU 135 CO -0.24 0.23 -0.14 0.52 -1.40 0.00 0.00 179.01 177.98 1xsb h MET 136 N 0.37 0.85 -0.96 2.33 2.86 -1.66 0.13 114.93 118.85 1xsb h MET 136 Ca 0.24 -0.31 0.07 0.00 -2.06 0.00 0.00 59.70 57.64 1xsb h MET 136 Cb 0.25 -0.06 -0.06 0.00 0.06 0.00 0.00 31.60 31.79 1xsb h MET 136 CO -0.24 0.94 0.62 0.87 1.06 0.00 0.00 176.91 180.16 1xsb h LYS 137 N 0.76 1.05 -0.07 1.72 6.56 -0.80 0.34 116.57 126.13 1xsb h LYS 137 Ca 0.12 -0.06 -0.10 0.00 -1.06 0.00 0.00 60.65 59.54 1xsb h LYS 137 Cb 0.66 -0.24 0.01 0.00 -0.57 0.00 0.00 32.23 32.09 1xsb h LYS 137 CO 0.05 0.70 -0.37 0.00 -2.06 0.00 0.00 179.45 177.77 1xsb h ALA 138 N 1.49 0.14 -0.31 3.86 0.00 -0.87 0.25 119.26 123.82 1xsb h ALA 138 Ca 0.42 -0.46 0.05 0.00 0.00 0.00 0.00 54.91 54.92 1xsb h ALA 138 Cb 0.22 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1xsb h ALA 138 CO -0.17 0.23 0.02 0.00 0.00 0.00 0.00 179.25 179.33 1xsb h ALA 139 N 0.43 0.29 0.00 0.00 0.00 -0.16 2.66 119.26 122.47 1xsb h ALA 139 Ca -0.03 0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1xsb h ALA 139 Cb 1.02 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 1xsb h ALA 139 CO 0.08 -0.39 -0.38 -0.07 0.00 0.00 0.00 179.25 178.49 1xsb h LEU 140 N 0.11 0.00 0.06 0.00 3.38 -0.38 -0.27 115.31 118.21 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 0.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1xsb h LEU 140 CO -0.23 0.38 -0.03 1.56 0.09 0.00 0.00 178.44 180.21 1xsb h GLN 141 N 0.00 -0.07 -0.42 1.13 1.08 0.28 -2.97 115.11 114.14 1xsb h GLN 141 Ca -0.00 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.11 1xsb h GLN 141 Cb 0.68 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.11 1xsb h GLN 141 CO 0.05 0.51 -0.10 0.93 -0.95 0.00 0.00 178.83 179.28 1xsb h GLU 142 N -0.91 0.74 -0.26 1.46 5.08 0.45 -0.87 114.58 120.27 1xsb h GLU 142 Ca -0.01 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1xsb h GLU 142 Cb 0.62 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1xsb h GLU 142 CO 0.01 0.81 0.06 0.78 -1.00 0.00 0.00 179.01 179.67 1xsb h GLY 143 N 0.97 0.30 1.00 -3.84 0.00 -1.15 0.32 103.07 100.68 1xsb h GLY 143 Ca 0.12 -0.03 -0.05 0.00 0.00 0.00 0.00 47.33 47.38 1xsb h GLY 143 CO 0.03 0.00 0.19 0.84 0.00 0.00 0.00 176.54 177.60 1xsb h HIS 144 N 0.16 0.94 -0.57 5.60 -0.00 -1.32 -1.61 115.15 118.36 1xsb h HIS 144 Ca 0.12 -0.09 0.04 0.00 -0.00 0.00 0.00 60.37 60.43 1xsb h HIS 144 Cb 0.11 -0.27 -0.04 0.00 -0.00 0.00 0.00 27.41 27.20 1xsb h HIS 144 CO -0.15 0.78 0.32 0.37 -0.00 0.00 0.00 177.93 179.25 1xsb h GLN 145 N 0.83 0.60 -0.02 5.26 5.75 -0.34 -1.91 115.11 125.28 1xsb h GLN 145 Ca 0.19 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.64 1xsb h GLN 145 Cb 0.28 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.69 1xsb h GLN 145 CO -0.01 0.39 -0.03 0.35 -2.65 0.00 0.00 178.83 176.89 1xsb h PHE 146 N 0.61 0.06 -0.96 3.99 3.04 -0.76 -3.16 116.94 119.76 1xsb h PHE 146 Ca 0.24 -0.02 0.14 0.00 3.98 0.00 0.00 57.97 62.31 1xsb h PHE 146 Cb 0.10 -0.01 -0.08 0.00 2.56 0.00 0.00 35.95 38.52 1xsb h PHE 146 CO -0.08 0.59 0.61 -0.07 -2.02 0.00 0.00 178.31 177.34 1xsb h LEU 147 N -0.49 0.81 -0.48 0.59 3.38 -1.18 0.94 115.31 118.88 1xsb h LEU 147 Ca 0.00 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xsb h LEU 147 Cb 0.59 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1xsb h LEU 147 CO 0.01 0.41 0.00 0.00 0.09 0.00 0.00 178.44 178.95 1xsb n SER 149 N -1.89 0.53 0.00 0.00 2.88 0.32 -4.81 113.62 110.66 1xsb n SER 149 Ca 0.02 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.50 1xsb n SER 149 Cb 0.15 0.17 0.00 0.00 -0.75 0.00 0.00 64.21 63.78 1xsb n SER 149 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xsb n ILE 150 N -1.72 0.00 0.00 2.46 5.41 -0.61 -5.10 119.36 119.80 1xsb n ILE 150 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.80 1xsb n ILE 150 Cb 0.37 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.30 1xsb n ILE 150 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xsb n GLU 151 N 0.00 0.00 0.00 0.38 2.13 -1.26 -5.12 120.64 116.77 1xsb n GLU 151 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1xsb n GLU 151 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xsb n ALA 152 N -2.67 1.54 1.41 4.31 0.00 -1.26 -5.08 120.51 118.76 1xsb n ALA 152 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1xsb n ALA 152 Cb 0.00 0.00 0.45 0.00 0.00 0.00 0.00 19.45 19.90 1xsb n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39