#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsb s PRO 2 N 0.00 2.70 0.12 1.61 0.04 -1.26 -5.02 135.00 133.19 1xsb s PRO 2 Ca 0.00 1.11 -0.25 0.00 0.04 0.00 0.00 61.00 61.90 1xsb s PRO 2 Cb 0.00 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 1xsb s PRO 2 CO 0.00 -1.30 0.77 -0.51 0.04 0.00 0.00 177.00 176.00 1xsb s LEU 3 N -5.50 4.54 0.46 -3.56 1.43 -1.26 -4.94 118.68 109.85 1xsb s LEU 3 Ca 0.61 1.56 0.12 0.00 -1.03 0.00 0.00 54.13 55.39 1xsb s LEU 3 Cb -0.16 -3.26 1.04 0.00 0.03 0.00 0.00 46.19 43.84 1xsb s LEU 3 CO 0.52 0.14 2.08 1.23 0.23 0.00 0.00 176.35 180.55 1xsb h GLY 4 N 4.83 0.25 -2.06 -3.19 0.00 -1.95 -3.46 103.07 97.50 1xsb h GLY 4 Ca -0.46 -0.10 0.24 0.00 0.00 0.00 0.00 47.33 47.00 1xsb h GLY 4 CO 0.68 0.10 0.67 -1.35 0.00 0.00 0.00 176.54 176.64 1xsb s SER 5 N -6.90 -0.05 0.62 0.19 1.04 -1.26 -5.16 113.70 102.18 1xsb s SER 5 Ca -0.06 -0.41 -0.07 0.00 0.48 0.00 0.00 55.95 55.89 1xsb s SER 5 Cb 0.17 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.67 1xsb s SER 5 CO 0.70 -0.69 0.94 -0.32 0.98 0.00 0.00 173.24 174.85 1xsb s MET 6 N -2.45 2.78 0.30 4.02 1.75 -1.26 -4.96 119.30 119.47 1xsb s MET 6 Ca 0.19 -0.00 -0.13 0.00 -1.25 0.00 0.00 55.69 54.50 1xsb s MET 6 Cb -0.00 -2.23 -0.10 0.00 2.84 0.00 0.00 34.83 35.34 1xsb s MET 6 CO 0.01 -0.83 -0.01 0.00 -0.65 0.00 0.00 175.02 173.54 1xsb n ALA 7 N -2.69 -2.48 -2.79 4.11 0.00 -1.26 -4.89 120.51 110.50 1xsb n ALA 7 Ca 0.05 0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.16 1xsb n ALA 7 Cb 0.58 -0.95 -0.08 0.00 0.00 0.00 0.00 19.45 19.00 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 3.10 4.00 0.02 0.00 1.02 0.11 -5.00 118.68 121.92 1xsb s LEU 8 Ca 0.38 0.30 -0.19 0.00 0.02 0.00 0.00 54.13 54.65 1xsb s LEU 8 Cb -0.37 -1.95 -0.06 0.00 0.02 0.00 0.00 46.19 43.83 1xsb s LEU 8 CO 0.43 0.38 0.54 -0.60 0.02 0.00 0.00 176.35 177.12 1xsb s ARG 9 N -0.90 4.21 0.03 1.70 3.52 -1.26 -1.97 118.95 124.27 1xsb s ARG 9 Ca 0.14 0.66 -0.08 0.00 -0.13 0.00 0.00 55.73 56.32 1xsb s ARG 9 Cb -0.12 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 1xsb s ARG 9 CO 0.03 0.52 0.17 0.00 -0.81 0.00 0.00 175.30 175.21 1xsb s ALA 10 N -0.67 -0.30 -0.11 6.12 0.00 -0.13 -3.35 121.76 123.31 1xsb s ALA 10 Ca 0.29 -0.30 -0.05 0.00 0.00 0.00 0.00 51.96 51.90 1xsb s ALA 10 Cb -0.18 0.24 0.06 0.00 0.00 0.00 0.00 23.12 23.23 1xsb s ALA 10 CO 0.17 -0.32 0.23 0.00 0.00 0.00 0.00 175.76 175.84 1xsb s GLY 12 N 2.02 2.84 -0.17 0.00 0.00 -0.98 -3.68 107.32 107.34 1xsb s GLY 12 Ca -0.02 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.87 1xsb s GLY 12 CO -0.08 -2.09 -0.14 1.08 0.00 0.00 0.00 173.10 171.87 1xsb s LEU 13 N -3.78 1.98 -0.43 0.66 1.43 -1.01 -3.87 118.68 113.66 1xsb s LEU 13 Ca 0.14 -0.66 -0.26 0.00 -1.03 0.00 0.00 54.13 52.32 1xsb s LEU 13 Cb 0.03 -1.25 0.02 0.00 0.03 0.00 0.00 46.19 45.02 1xsb s LEU 13 CO 0.08 -0.08 0.95 -0.63 0.23 0.00 0.00 176.35 176.90 1xsb s ILE 14 N 1.42 4.47 -0.12 -0.59 1.01 -0.59 -4.30 121.20 122.51 1xsb s ILE 14 Ca 0.03 0.96 -0.06 0.00 0.00 0.00 0.00 60.65 61.57 1xsb s ILE 14 Cb -0.14 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 37.87 1xsb s ILE 14 CO -0.10 -0.76 0.11 -0.63 0.00 0.00 0.00 174.94 173.57 1xsb s ILE 15 N 3.75 5.28 -0.05 2.92 1.01 -1.26 0.98 121.20 133.83 1xsb s ILE 15 Ca 0.39 0.12 -0.02 0.00 0.00 0.00 0.00 60.65 61.14 1xsb s ILE 15 Cb -0.10 -3.30 0.04 0.00 0.01 0.00 0.00 42.46 39.11 1xsb s ILE 15 CO 0.24 0.61 0.09 0.72 0.00 0.00 0.00 174.94 176.60 1xsb s PHE 16 N -0.92 -0.03 -0.32 3.97 -0.71 1.13 -1.85 117.98 119.25 1xsb s PHE 16 Ca 0.14 0.37 -0.25 0.00 -1.04 0.00 0.00 56.93 56.16 1xsb s PHE 16 Cb -0.12 -0.36 0.01 0.00 -1.21 0.00 0.00 43.02 41.34 1xsb s PHE 16 CO 0.03 -0.20 0.86 0.50 -1.34 0.00 0.00 175.22 175.07 1xsb s ARG 17 N 2.03 3.94 0.04 1.99 6.06 -0.28 -3.86 118.95 128.87 1xsb s ARG 17 Ca 0.02 0.64 -0.22 0.00 -2.50 0.00 0.00 55.73 53.67 1xsb s ARG 17 Cb -0.12 -3.75 -0.06 0.00 0.06 0.00 0.00 34.95 31.08 1xsb s ARG 17 CO -0.04 -0.77 0.66 0.50 -2.50 0.00 0.00 175.30 173.15 1xsb s ARG 18 N 3.15 4.38 -0.14 5.12 3.52 -1.26 -3.32 118.95 130.40 1xsb s ARG 18 Ca 0.35 0.88 -0.11 0.00 -0.13 0.00 0.00 55.73 56.72 1xsb s ARG 18 Cb -0.13 -3.33 -0.05 0.00 -1.56 0.00 0.00 34.95 29.88 1xsb s ARG 18 CO 0.14 0.40 0.23 0.00 -0.81 0.00 0.00 175.30 175.26 1xsb h LEU 20 N 6.08 0.08 -7.76 0.00 3.38 -1.96 -3.43 115.31 111.69 1xsb h LEU 20 Ca -0.45 0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.52 1xsb h LEU 20 Cb 1.18 0.13 -0.17 0.00 0.09 0.00 0.00 40.66 41.89 1xsb h LEU 20 CO 0.70 0.04 -0.40 0.27 0.09 0.00 0.00 178.44 179.15 1xsb s ILE 21 N -6.09 0.12 0.74 1.22 -0.00 -1.26 -5.15 121.20 110.77 1xsb s ILE 21 Ca -0.13 -0.97 -0.15 0.00 -0.00 0.00 0.00 60.65 59.40 1xsb s ILE 21 Cb 0.18 -1.00 0.05 0.00 -0.00 0.00 0.00 42.46 41.69 1xsb s ILE 21 CO 0.74 -0.54 1.20 -2.84 -0.00 0.00 0.00 174.94 173.51 1xsb s PRO 22 N -2.83 2.08 0.00 0.37 0.02 -1.26 -5.00 135.00 128.38 1xsb s PRO 22 Ca -0.03 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.73 1xsb s PRO 22 Cb 0.00 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.69 1xsb s PRO 22 CO -0.05 -1.88 0.00 1.17 -0.33 0.00 0.00 177.00 175.91 1xsb n LYS 23 N -2.82 0.00 0.17 5.54 3.00 -1.26 -4.83 118.16 117.97 1xsb n LYS 23 Ca 0.13 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.58 1xsb n LYS 23 Cb 0.50 0.00 0.53 0.00 0.00 0.00 0.00 35.03 36.06 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1xsb h VAL 24 N 0.00 0.00 -0.38 3.15 2.07 -1.97 -3.46 116.25 115.66 1xsb h VAL 24 Ca 0.00 -0.36 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 1xsb h VAL 24 Cb 0.00 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1xsb h VAL 24 CO 0.00 0.00 -0.08 -0.67 0.02 0.00 0.00 177.57 176.84 1xsb n ASP 25 N -2.51 -2.53 0.00 0.57 -0.08 -1.26 -4.98 116.55 105.76 1xsb n ASP 25 Ca 0.02 0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.34 1xsb n ASP 25 Cb 0.28 -1.28 0.00 0.00 2.34 0.00 0.00 41.12 42.45 1xsb n ASP 25 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 1xsb n ASN 26 N 1.33 0.00 -4.23 1.67 4.05 -1.26 -4.95 115.26 111.87 1xsb n ASN 26 Ca -0.04 0.00 -0.35 0.00 0.45 0.00 0.00 54.58 54.64 1xsb n ASN 26 Cb 0.36 0.00 -0.14 0.00 1.23 0.00 0.00 39.78 41.23 1xsb n ASN 26 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1xsb s ASN 27 N -1.00 4.50 0.19 1.20 0.02 -1.26 -4.98 114.94 113.61 1xsb s ASN 27 Ca 0.00 -0.84 -0.09 0.00 -1.02 0.00 0.00 52.86 50.91 1xsb s ASN 27 Cb 0.00 -1.71 0.09 0.00 0.02 0.00 0.00 41.25 39.65 1xsb s ASN 27 CO 0.00 -0.14 1.69 0.00 0.02 0.00 0.00 177.10 178.66 1xsb h ALA 28 N 8.06 0.88 -4.26 0.60 0.00 -1.97 -3.43 119.26 119.14 1xsb h ALA 28 Ca -0.32 -0.27 -0.69 0.00 0.00 0.00 0.00 54.91 53.63 1xsb h ALA 28 Cb 1.11 -0.25 -0.27 0.00 0.00 0.00 0.00 17.79 18.38 1xsb h ALA 28 CO 0.58 0.64 -0.83 0.42 0.00 0.00 0.00 179.25 180.07 1xsb s ILE 29 N -5.22 2.59 0.20 0.00 1.01 -1.26 -3.60 121.20 114.92 1xsb s ILE 29 Ca -0.12 -0.90 0.11 0.00 0.00 0.00 0.00 60.65 59.74 1xsb s ILE 29 Cb 0.14 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1xsb s ILE 29 CO 0.85 0.58 -0.22 -1.61 0.00 0.00 0.00 174.94 174.55 1xsb s GLU 30 N -0.64 1.47 0.17 2.79 2.02 -1.21 -4.09 118.70 119.21 1xsb s GLU 30 Ca 0.10 -1.53 0.11 0.00 0.02 0.00 0.00 54.97 53.66 1xsb s GLU 30 Cb -0.11 -1.67 -0.04 0.00 0.10 0.00 0.00 34.13 32.41 1xsb s GLU 30 CO 0.00 0.35 -0.21 -0.06 0.02 0.00 0.00 175.26 175.36 1xsb s PHE 31 N -1.93 2.40 -0.09 1.61 0.08 -0.34 -1.13 117.98 118.58 1xsb s PHE 31 Ca 0.21 -0.32 -0.26 0.00 0.12 0.00 0.00 56.93 56.68 1xsb s PHE 31 Cb -0.07 -1.21 -0.03 0.00 -0.57 0.00 0.00 43.02 41.15 1xsb s PHE 31 CO 0.10 0.47 0.83 -1.17 -0.10 0.00 0.00 175.22 175.34 1xsb s LEU 32 N -2.56 4.27 -0.04 -0.37 2.96 -0.77 -3.73 118.68 118.44 1xsb s LEU 32 Ca 0.20 1.30 0.03 0.00 -0.22 0.00 0.00 54.13 55.45 1xsb s LEU 32 Cb -0.09 -3.27 0.00 0.00 0.50 0.00 0.00 46.19 43.34 1xsb s LEU 32 CO 0.10 -0.27 -0.13 -0.76 -1.32 0.00 0.00 176.35 173.97 1xsb s LEU 33 N 1.43 1.80 -0.09 -0.68 1.43 -1.17 -4.60 118.68 116.80 1xsb s LEU 33 Ca 0.41 -0.27 -0.03 0.00 -1.03 0.00 0.00 54.13 53.21 1xsb s LEU 33 Cb -0.18 -0.77 -0.03 0.00 0.03 0.00 0.00 46.19 45.24 1xsb s LEU 33 CO 0.18 0.09 0.02 -0.76 0.23 0.00 0.00 176.35 176.11 1xsb s LEU 34 N 0.23 3.70 -0.19 1.79 1.43 -0.82 -1.98 118.68 122.84 1xsb s LEU 34 Ca -0.06 0.19 -0.10 0.00 -1.03 0.00 0.00 54.13 53.14 1xsb s LEU 34 Cb -0.11 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.20 1xsb s LEU 34 CO 0.02 0.38 0.13 -1.58 0.23 0.00 0.00 176.35 175.53 1xsb s GLN 35 N -0.91 4.11 0.44 1.70 0.74 1.02 -2.02 119.66 124.73 1xsb s GLN 35 Ca 0.14 -0.22 -0.25 0.00 0.05 0.00 0.00 55.36 55.08 1xsb s GLN 35 Cb -0.11 -3.38 -0.08 0.00 1.10 0.00 0.00 33.01 30.53 1xsb s GLN 35 CO 0.03 0.34 1.31 0.00 -0.55 0.00 0.00 175.29 176.42 1xsb s ALA 36 N 0.23 3.16 -1.66 1.58 0.00 -1.12 -0.34 121.76 123.61 1xsb s ALA 36 Ca 0.08 1.24 0.31 0.00 0.00 0.00 0.00 51.96 53.59 1xsb s ALA 36 Cb -0.11 -3.50 1.62 0.00 0.00 0.00 0.00 23.12 21.13 1xsb s ALA 36 CO -0.01 -0.93 2.09 -1.13 0.00 0.00 0.00 175.76 175.78 1xsb n SER 37 N -0.15 0.07 -4.09 0.00 3.41 -1.08 -4.52 113.62 107.26 1xsb n SER 37 Ca 0.05 -0.50 -0.10 0.00 -0.26 0.00 0.00 58.87 58.06 1xsb n SER 37 Cb 0.44 -0.16 -0.09 0.00 -0.26 0.00 0.00 64.21 64.14 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 -2.36 0.19 0.00 4.04 -0.00 -1.26 -4.99 116.67 112.29 1xsb s ASP 38 Ca 0.35 -1.12 0.00 0.00 -0.00 0.00 0.00 52.55 51.78 1xsb s ASP 38 Cb 0.21 0.36 0.00 0.00 -0.00 0.00 0.00 42.92 43.49 1xsb s ASP 38 CO 0.43 -0.81 0.00 0.61 -0.00 0.00 0.00 175.17 175.40 1xsb n GLY 39 N -0.17 -1.05 0.00 0.21 0.00 -1.26 -3.48 105.19 99.44 1xsb n GLY 39 Ca -0.05 -1.32 0.09 0.00 0.00 0.00 0.00 46.02 44.75 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 -3.10 -0.61 -5.35 -1.26 -4.82 119.36 104.22 1xsb n ILE 40 Ca 0.00 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.35 1xsb n ILE 40 Cb 0.00 -0.60 0.05 0.00 -1.74 0.00 0.00 39.64 37.35 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 -0.92 -1.63 -1.31 4.28 8.25 -1.23 -4.96 115.22 117.70 1xsb n HIS 41 Ca 0.13 0.59 -0.35 0.00 -0.26 0.00 0.00 57.72 57.83 1xsb n HIS 41 Cb 0.06 -3.39 0.10 0.00 1.12 0.00 0.00 29.99 27.88 1xsb n HIS 41 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1xsb n HIS 42 N -3.83 1.19 -4.03 4.41 1.44 -1.26 -4.39 115.22 108.75 1xsb n HIS 42 Ca -0.01 0.40 -0.35 0.00 -2.01 0.00 0.00 57.72 55.75 1xsb n HIS 42 Cb 0.54 -2.13 -0.09 0.00 0.12 0.00 0.00 29.99 28.43 1xsb n HIS 42 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1xsb s TRP 43 N -1.88 3.30 0.02 -1.40 0.52 -1.25 -2.77 118.94 115.47 1xsb s TRP 43 Ca 0.75 0.17 -0.17 0.00 0.02 0.00 0.00 56.10 56.87 1xsb s TRP 43 Cb -0.33 -2.02 0.03 0.00 -1.15 0.00 0.00 33.47 30.01 1xsb s TRP 43 CO 0.49 0.30 0.37 0.95 0.02 0.00 0.00 176.95 179.08 1xsb s THR 44 N -0.04 0.06 0.57 2.01 -4.23 -0.86 -4.40 115.64 108.75 1xsb s THR 44 Ca 0.07 -0.48 -0.18 0.00 -1.18 0.00 0.00 61.69 59.92 1xsb s THR 44 Cb -0.12 -0.84 -0.05 0.00 1.34 0.00 0.00 72.50 72.84 1xsb s THR 44 CO 0.01 -0.26 1.10 -2.16 -0.54 0.00 0.00 174.62 172.77 1xsb s PRO 45 N -1.98 3.29 -0.93 3.99 0.04 -1.26 -1.95 135.00 136.20 1xsb s PRO 45 Ca -0.09 1.46 -0.19 0.00 0.04 0.00 0.00 61.00 62.23 1xsb s PRO 45 Cb -0.02 -2.01 -0.25 0.00 0.04 0.00 0.00 34.50 32.25 1xsb s PRO 45 CO 0.01 -0.87 2.36 -2.30 0.04 0.00 0.00 177.00 176.24 1xsb n PRO 46 N -1.61 0.17 -4.37 0.56 -0.02 -1.26 -4.76 135.00 123.72 1xsb n PRO 46 Ca 0.11 -0.13 -0.25 0.00 -2.02 0.00 0.00 63.50 61.20 1xsb n PRO 46 Cb 0.52 -1.76 -0.12 0.00 -0.02 0.00 0.00 33.50 32.12 1xsb n PRO 46 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1xsb s LYS 47 N 7.94 1.37 0.00 -0.52 -2.85 -1.26 -2.40 119.74 122.02 1xsb s LYS 47 Ca 1.24 -1.41 0.00 0.00 -1.00 0.00 0.00 55.97 54.80 1xsb s LYS 47 Cb -0.79 -1.65 0.00 0.00 -2.06 0.00 0.00 37.83 33.33 1xsb s LYS 47 CO 0.45 0.36 0.00 0.41 0.10 0.00 0.00 175.35 176.67 1xsb n GLY 48 N 0.51 2.45 3.75 0.59 0.00 -1.24 -4.99 105.19 106.26 1xsb n GLY 48 Ca -0.15 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 1xsb n GLY 48 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1xsb s HIS 49 N -6.40 3.38 0.11 1.61 3.76 -1.26 -3.15 115.29 113.34 1xsb s HIS 49 Ca 0.00 0.30 -0.24 0.00 -0.15 0.00 0.00 55.06 54.97 1xsb s HIS 49 Cb 0.00 -1.96 -0.07 0.00 1.11 0.00 0.00 32.58 31.66 1xsb s HIS 49 CO 0.00 0.47 0.73 0.54 -0.85 0.00 0.00 174.74 175.63 1xsb s VAL 50 N -0.49 4.54 0.66 -0.90 0.11 -1.21 -4.91 120.40 118.20 1xsb s VAL 50 Ca 0.11 1.58 -0.11 0.00 -2.93 0.00 0.00 61.98 60.63 1xsb s VAL 50 Cb -0.12 -4.08 0.17 0.00 -1.53 0.00 0.00 36.38 30.82 1xsb s VAL 50 CO 0.02 0.49 0.47 1.21 -3.33 0.00 0.00 175.10 173.96 1xsb n GLU 51 N 1.95 -2.79 0.00 1.54 4.07 -1.26 -4.93 120.64 119.23 1xsb n GLU 51 Ca -0.06 -0.77 0.00 0.00 -0.06 0.00 0.00 57.16 56.27 1xsb n GLU 51 Cb 0.49 -0.86 0.00 0.00 -0.06 0.00 0.00 31.44 31.01 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 -3.52 0.00 0.00 5.31 -0.04 -1.26 -3.79 135.00 131.70 1xsb n PRO 52 Ca 0.07 0.36 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1xsb n PRO 52 Cb 0.29 -1.01 0.00 0.00 -0.04 0.00 0.00 33.50 32.74 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 1.22 1.22 3.87 0.55 0.00 -1.26 -4.83 105.19 105.96 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 -1.11 3.84 0.78 1.61 2.12 -1.25 -5.06 118.70 119.64 1xsb s GLU 54 Ca 0.00 0.41 -0.11 0.00 0.36 0.00 0.00 54.97 55.62 1xsb s GLU 54 Cb 0.00 -2.53 0.06 0.00 0.26 0.00 0.00 34.13 31.92 1xsb s GLU 54 CO 0.00 0.19 1.09 0.34 -0.54 0.00 0.00 175.26 176.34 1xsb s ASP 55 N -2.57 4.59 -0.04 -1.70 2.15 -1.26 -4.79 116.67 113.04 1xsb s ASP 55 Ca 0.50 1.39 -0.23 0.00 0.43 0.00 0.00 52.55 54.64 1xsb s ASP 55 Cb -0.11 -2.15 -0.25 0.00 -0.30 0.00 0.00 42.92 40.12 1xsb s ASP 55 CO 0.23 -1.92 1.01 0.44 -0.17 0.00 0.00 175.17 174.76 1xsb h ASP 56 N -1.05 0.32 -0.08 -0.34 3.32 -1.97 -3.02 116.42 113.60 1xsb h ASP 56 Ca -0.46 -0.82 -0.07 0.00 0.02 0.00 0.00 57.03 55.70 1xsb h ASP 56 Cb 1.26 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1xsb h ASP 56 CO 0.58 1.09 -0.22 0.25 -1.72 0.00 0.00 179.24 179.23 1xsb h LEU 57 N -0.43 0.32 -1.04 1.55 5.85 -1.96 -2.95 115.31 116.66 1xsb h LEU 57 Ca -0.05 -0.60 0.15 0.00 0.84 0.00 0.00 57.88 58.22 1xsb h LEU 57 Cb 1.17 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 42.02 1xsb h LEU 57 CO 0.08 0.86 0.62 -0.33 -0.34 0.00 0.00 178.44 179.33 1xsb h GLU 58 N -0.20 0.86 -0.79 1.25 3.07 -1.97 0.73 114.58 117.54 1xsb h GLU 58 Ca -0.00 -0.05 0.03 0.00 -0.50 0.00 0.00 59.36 58.83 1xsb h GLU 58 Cb 0.83 -0.19 -0.05 0.00 -0.84 0.00 0.00 28.75 28.50 1xsb h GLU 58 CO 0.05 0.57 0.50 1.15 -1.40 0.00 0.00 179.01 179.88 1xsb h THR 59 N 0.89 1.13 -0.44 1.13 2.02 -1.48 1.63 112.91 117.78 1xsb h THR 59 Ca 0.52 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 67.31 1xsb h THR 59 Cb 0.66 0.05 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1xsb h THR 59 CO -0.30 0.18 0.08 0.00 0.37 0.00 0.00 175.52 175.85 1xsb h ALA 60 N 1.33 0.59 0.20 6.16 0.00 0.24 0.74 119.26 128.51 1xsb h ALA 60 Ca 0.31 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1xsb h ALA 60 Cb -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1xsb h ALA 60 CO -0.11 0.30 -0.09 -0.07 0.00 0.00 0.00 179.25 179.28 1xsb h LEU 61 N 0.59 -0.22 -0.73 0.00 3.38 0.17 0.68 115.31 119.18 1xsb h LEU 61 Ca 0.14 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.08 1xsb h LEU 61 Cb 0.37 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1xsb h LEU 61 CO 0.01 -0.14 0.39 -0.09 0.09 0.00 0.00 178.44 178.69 1xsb h ARG 62 N -0.28 1.03 -0.01 1.13 2.43 0.25 -1.82 114.38 117.11 1xsb h ARG 62 Ca -0.03 -0.13 -0.10 0.00 -0.81 0.00 0.00 59.98 58.91 1xsb h ARG 62 Cb 0.22 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1xsb h ARG 62 CO 0.04 0.78 -0.47 0.00 -1.51 0.00 0.00 179.97 178.81 1xsb h ALA 63 N 1.20 1.20 -0.07 2.80 0.00 0.85 -0.91 119.26 124.33 1xsb h ALA 63 Ca 0.26 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1xsb h ALA 63 Cb 0.06 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xsb h ALA 63 CO -0.04 0.60 0.03 1.15 0.00 0.00 0.00 179.25 180.99 1xsb h THR 64 N 0.02 1.10 0.14 0.00 2.02 0.12 -1.45 112.91 114.86 1xsb h THR 64 Ca -0.00 -0.30 -0.29 0.00 0.77 0.00 0.00 66.41 66.59 1xsb h THR 64 Cb 0.85 1.18 0.02 0.00 -1.74 0.00 0.00 68.15 68.46 1xsb h THR 64 CO 0.06 0.09 -1.25 -0.61 0.37 0.00 0.00 175.52 174.18 1xsb h GLN 65 N -0.01 0.47 -0.77 6.66 4.15 -0.36 0.11 115.11 125.36 1xsb h GLN 65 Ca 0.02 -0.69 -0.01 0.00 0.77 0.00 0.00 58.65 58.75 1xsb h GLN 65 Cb 0.11 0.24 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 1xsb h GLN 65 CO -0.00 1.31 0.45 0.93 -1.93 0.00 0.00 178.83 179.59 1xsb h GLU 66 N 0.18 1.05 -0.02 1.69 4.39 -1.14 2.97 114.58 123.70 1xsb h GLU 66 Ca -0.17 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1xsb h GLU 66 Cb 1.94 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 30.37 1xsb h GLU 66 CO 0.23 0.75 -0.14 0.39 -1.16 0.00 0.00 179.01 179.07 1xsb n GLU 67 N -4.37 1.71 0.00 2.33 1.02 -0.55 -3.91 120.64 116.87 1xsb n GLU 67 Ca 0.08 -1.44 0.00 0.00 -0.02 0.00 0.00 57.16 55.78 1xsb n GLU 67 Cb 0.07 -1.39 0.00 0.00 -0.02 0.00 0.00 31.44 30.11 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 0.73 0.56 -0.34 0.62 0.00 0.90 -4.05 120.51 118.94 1xsb n ALA 68 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1xsb n ALA 68 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 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 0.26 0.87 3.71 0.00 0.00 0.99 0.45 105.19 111.47 1xsb n GLY 69 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1xsb n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsb s ILE 70 N -2.78 5.30 0.39 -0.61 1.01 -1.23 -4.75 121.20 118.53 1xsb s ILE 70 Ca 0.00 0.15 0.08 0.00 0.00 0.00 0.00 60.65 60.88 1xsb s ILE 70 Cb 0.00 -3.42 -0.06 0.00 0.01 0.00 0.00 42.46 38.99 1xsb s ILE 70 CO 0.00 0.44 0.09 -0.70 0.00 0.00 0.00 174.94 174.76 1xsb s GLU 71 N 0.42 2.12 0.39 2.79 2.12 -1.26 -0.48 118.70 124.79 1xsb s GLU 71 Ca 0.07 -1.87 0.19 0.00 0.36 0.00 0.00 54.97 53.72 1xsb s GLU 71 Cb -0.11 -1.89 1.13 0.00 0.26 0.00 0.00 34.13 33.52 1xsb s GLU 71 CO -0.01 -0.02 1.73 0.00 -0.54 0.00 0.00 175.26 176.42 1xsb h ALA 72 N 1.63 2.23 0.00 6.30 0.00 -1.88 2.41 119.26 129.95 1xsb h ALA 72 Ca -0.43 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1xsb h ALA 72 Cb 1.25 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 1xsb h ALA 72 CO 0.71 -0.70 -0.04 0.78 0.00 0.00 0.00 179.25 180.00 1xsb h GLY 73 N 0.36 0.00 0.21 0.00 0.00 -1.99 -1.30 103.07 100.35 1xsb h GLY 73 Ca 0.65 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.98 1xsb h GLY 73 CO -0.37 0.00 -0.58 -1.06 0.00 0.00 0.00 176.54 174.52 1xsb n GLN 74 N -4.41 0.39 -1.86 4.80 6.02 0.79 -4.96 117.38 118.15 1xsb n GLN 74 Ca -0.03 -0.28 0.00 0.00 -0.01 0.00 0.00 57.00 56.68 1xsb n GLN 74 Cb 0.13 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.89 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 -1.06 0.00 -3.63 1.08 -0.00 -0.17 -1.63 117.00 111.60 1xsb n LEU 75 Ca 0.07 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.80 1xsb n LEU 75 Cb 0.36 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.62 1xsb n LEU 75 CO 0.34 0.00 -0.34 -0.89 -0.00 0.00 0.00 177.39 176.50 1xsb s THR 76 N -1.29 0.18 0.03 1.47 2.01 -0.36 -4.78 115.64 112.90 1xsb s THR 76 Ca 0.00 -0.59 -0.30 0.00 0.31 0.00 0.00 61.69 61.10 1xsb s THR 76 Cb 0.00 -0.94 -0.05 0.00 0.01 0.00 0.00 72.50 71.52 1xsb s THR 76 CO 0.00 -0.45 1.24 -0.63 -0.69 0.00 0.00 174.62 174.08 1xsb s ILE 77 N 2.00 4.00 0.11 1.82 -1.09 -1.26 -2.11 121.20 124.67 1xsb s ILE 77 Ca 0.04 1.41 -0.20 0.00 -2.23 0.00 0.00 60.65 59.67 1xsb s ILE 77 Cb -0.16 -3.90 -0.07 0.00 -1.58 0.00 0.00 42.46 36.74 1xsb s ILE 77 CO -0.19 0.07 0.63 -0.63 -1.23 0.00 0.00 174.94 173.59 1xsb s ILE 78 N 1.50 4.64 0.10 2.92 1.09 0.56 -4.98 121.20 127.03 1xsb s ILE 78 Ca 0.59 1.31 0.02 0.00 -1.10 0.00 0.00 60.65 61.47 1xsb s ILE 78 Cb -0.29 -3.94 -0.04 0.00 -1.06 0.00 0.00 42.46 37.13 1xsb s ILE 78 CO 0.27 0.49 0.17 -1.61 -0.10 0.00 0.00 174.94 174.17 1xsb s GLU 79 N -1.26 3.17 0.00 2.79 2.02 -1.26 -4.44 118.70 119.72 1xsb s GLU 79 Ca 0.32 -0.62 0.00 0.00 0.02 0.00 0.00 54.97 54.69 1xsb s GLU 79 Cb -0.20 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1xsb s GLU 79 CO 0.21 0.56 0.00 0.41 0.02 0.00 0.00 175.26 176.46 1xsb n GLY 80 N 0.07 2.54 3.50 -1.39 0.00 -1.26 -5.04 105.19 103.61 1xsb n GLY 80 Ca -0.07 0.00 -0.36 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 -2.54 3.12 -0.15 1.61 2.19 -1.26 -5.07 117.98 115.87 1xsb s PHE 81 Ca 0.00 -0.28 -0.10 0.00 0.33 0.00 0.00 56.93 56.88 1xsb s PHE 81 Cb 0.00 -2.17 0.05 0.00 -1.31 0.00 0.00 43.02 39.59 1xsb s PHE 81 CO 0.00 -0.19 0.36 0.21 1.83 0.00 0.00 175.22 177.43 1xsb s LYS 82 N 1.16 0.37 -0.28 10.12 2.20 -1.26 -4.70 119.74 127.35 1xsb s LYS 82 Ca 0.04 0.64 -0.21 0.00 -0.36 0.00 0.00 55.97 56.08 1xsb s LYS 82 Cb -0.14 0.05 0.11 0.00 -1.51 0.00 0.00 37.83 36.33 1xsb s LYS 82 CO 0.03 -0.12 0.89 0.50 -0.36 0.00 0.00 175.35 176.29 1xsb s ARG 83 N 0.92 0.57 0.01 4.03 3.52 -1.26 -5.05 118.95 121.68 1xsb s ARG 83 Ca -0.06 0.81 0.05 0.00 -0.13 0.00 0.00 55.73 56.41 1xsb s ARG 83 Cb -0.06 0.20 -0.03 0.00 -1.56 0.00 0.00 34.95 33.50 1xsb s ARG 83 CO -0.07 -0.09 -0.15 -1.83 -0.81 0.00 0.00 175.30 172.35 1xsb s GLU 84 N 0.87 2.27 -0.29 5.12 1.03 -1.25 -2.16 118.70 124.29 1xsb s GLU 84 Ca -0.04 -0.86 -0.19 0.00 0.03 0.00 0.00 54.97 53.92 1xsb s GLU 84 Cb -0.05 -2.30 -0.02 0.00 -0.80 0.00 0.00 34.13 30.97 1xsb s GLU 84 CO -0.10 0.57 0.54 -0.51 -1.33 0.00 0.00 175.26 174.43 1xsb s LEU 85 N -1.26 4.14 -0.20 1.83 1.43 0.43 -4.73 118.68 120.32 1xsb s LEU 85 Ca 0.14 0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.59 1xsb s LEU 85 Cb -0.11 -2.68 0.00 0.00 0.03 0.00 0.00 46.19 43.43 1xsb s LEU 85 CO 0.05 -0.39 -0.11 0.20 0.23 0.00 0.00 176.35 176.33 1xsb s ASN 86 N 1.63 3.85 0.07 2.29 0.01 -1.26 -0.38 114.94 121.16 1xsb s ASN 86 Ca 0.22 -0.48 -0.26 0.00 -0.71 0.00 0.00 52.86 51.63 1xsb s ASN 86 Cb -0.15 -1.63 0.08 0.00 0.41 0.00 0.00 41.25 39.95 1xsb s ASN 86 CO 0.11 0.01 0.71 -0.72 -1.51 0.00 0.00 177.10 175.69 1xsb s TYR 87 N 1.29 -0.50 -0.37 2.20 -0.85 -1.09 -4.93 117.35 113.11 1xsb s TYR 87 Ca 0.04 0.43 0.02 0.00 -0.52 0.00 0.00 57.07 57.03 1xsb s TYR 87 Cb -0.14 0.53 0.11 0.00 0.38 0.00 0.00 41.96 42.83 1xsb s TYR 87 CO -0.06 -0.71 0.11 0.54 -1.52 0.00 0.00 175.55 173.92 1xsb s VAL 88 N -3.08 2.64 0.00 -3.49 0.11 -1.26 0.21 120.40 115.53 1xsb s VAL 88 Ca 0.00 -2.30 0.00 0.00 -2.93 0.00 0.00 61.98 56.75 1xsb s VAL 88 Cb -0.01 -2.89 0.00 0.00 -1.53 0.00 0.00 36.38 31.95 1xsb s VAL 88 CO -0.08 -0.64 0.00 0.00 -3.33 0.00 0.00 175.10 171.05 1xsb n ALA 89 N 4.31 0.00 -0.11 1.54 0.00 -1.23 -4.49 120.51 120.52 1xsb n ALA 89 Ca 0.02 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.32 1xsb n ALA 89 Cb 0.41 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.77 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 -0.42 0.00 0.00 2.43 -2.05 -3.41 114.38 110.93 1xsb h ARG 90 Ca 0.00 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 1xsb h ARG 90 Cb 0.00 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1xsb h ARG 90 CO 0.00 -0.28 -0.02 -1.71 -1.51 0.00 0.00 179.97 176.45 1xsb n ASN 91 N -5.39 -0.08 -3.79 -3.80 2.85 -1.26 -5.12 115.26 98.67 1xsb n ASN 91 Ca -0.04 -0.29 -0.21 0.00 -0.11 0.00 0.00 54.58 53.94 1xsb n ASN 91 Cb 0.35 0.02 -0.17 0.00 1.24 0.00 0.00 39.78 41.22 1xsb n ASN 91 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1xsb s LYS 92 N 0.00 0.49 0.05 1.20 2.47 -1.26 -4.94 119.74 117.75 1xsb s LYS 92 Ca 0.00 0.10 -0.31 0.00 -1.56 0.00 0.00 55.97 54.20 1xsb s LYS 92 Cb 0.00 -0.78 -0.06 0.00 -1.46 0.00 0.00 37.83 35.54 1xsb s LYS 92 CO 0.00 -0.23 1.25 -1.25 0.16 0.00 0.00 175.35 175.28 1xsb s PRO 93 N 1.59 4.39 -0.13 4.03 0.04 -1.26 -3.58 135.00 140.09 1xsb s PRO 93 Ca -0.01 1.83 0.02 0.00 0.04 0.00 0.00 61.00 62.87 1xsb s PRO 93 Cb -0.13 -3.37 0.01 0.00 0.04 0.00 0.00 34.50 31.06 1xsb s PRO 93 CO -0.03 -0.33 -0.17 0.15 0.04 0.00 0.00 177.00 176.66 1xsb s LYS 94 N 1.28 2.51 -0.25 4.56 1.02 0.13 -0.71 119.74 128.28 1xsb s LYS 94 Ca 0.60 -0.66 -0.14 0.00 0.02 0.00 0.00 55.97 55.79 1xsb s LYS 94 Cb -0.30 -2.13 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 1xsb s LYS 94 CO 0.28 -0.09 0.33 0.99 -0.92 0.00 0.00 175.35 175.94 1xsb s THR 95 N 1.04 5.22 -0.17 2.17 2.01 -0.83 -2.65 115.64 122.42 1xsb s THR 95 Ca -0.04 0.50 -0.00 0.00 0.31 0.00 0.00 61.69 62.45 1xsb s THR 95 Cb -0.15 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.71 1xsb s THR 95 CO -0.04 0.22 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.28 1xsb s VAL 96 N 1.72 2.69 -0.22 3.82 1.01 0.49 -0.96 120.40 128.95 1xsb s VAL 96 Ca 0.14 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 1xsb s VAL 96 Cb -0.15 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.02 1xsb s VAL 96 CO 0.09 0.50 0.14 -0.63 0.00 0.00 0.00 175.10 175.20 1xsb s ILE 97 N 1.03 5.32 -0.10 2.22 -1.09 -0.97 0.16 121.20 127.77 1xsb s ILE 97 Ca -0.01 0.16 0.02 0.00 -2.23 0.00 0.00 60.65 58.59 1xsb s ILE 97 Cb -0.15 -3.46 -0.01 0.00 -1.58 0.00 0.00 42.46 37.26 1xsb s ILE 97 CO -0.03 0.38 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.58 1xsb s TYR 98 N 0.79 2.70 -0.03 3.97 2.02 -0.92 -2.33 117.35 123.56 1xsb s TYR 98 Ca 0.07 -0.67 0.04 0.00 -0.37 0.00 0.00 57.07 56.15 1xsb s TYR 98 Cb -0.13 -1.76 -0.03 0.00 -0.40 0.00 0.00 41.96 39.65 1xsb s TYR 98 CO 0.02 -0.20 -0.14 -1.58 -1.57 0.00 0.00 175.55 172.08 1xsb s TRP 99 N 0.13 2.71 0.23 2.71 0.51 -1.25 -4.13 118.94 119.85 1xsb s TRP 99 Ca -0.09 -0.15 -0.30 0.00 -2.12 0.00 0.00 56.10 53.44 1xsb s TRP 99 Cb -0.15 -1.60 -0.09 0.00 -0.81 0.00 0.00 33.47 30.82 1xsb s TRP 99 CO 0.05 0.22 1.05 -0.51 -0.51 0.00 0.00 176.95 177.26 1xsb s LEU 100 N -0.91 4.56 0.07 2.99 1.43 -1.25 -1.54 118.68 124.02 1xsb s LEU 100 Ca 0.13 2.12 0.02 0.00 -1.03 0.00 0.00 54.13 55.36 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 0.02 -0.08 -0.07 0.00 0.23 0.00 0.00 176.35 176.44 1xsb s ALA 101 N -0.86 0.76 -0.17 4.21 0.00 0.28 -0.32 121.76 125.66 1xsb s ALA 101 Ca 0.45 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1xsb s ALA 101 Cb -0.29 0.10 0.04 0.00 0.00 0.00 0.00 23.12 22.96 1xsb s ALA 101 CO 0.37 -0.12 -0.05 -2.00 0.00 0.00 0.00 175.76 173.96 1xsb s GLU 102 N -2.61 1.41 0.18 0.00 2.12 -0.90 0.36 118.70 119.26 1xsb s GLU 102 Ca -0.00 -0.51 -0.30 0.00 0.36 0.00 0.00 54.97 54.52 1xsb s GLU 102 Cb -0.03 -2.00 -0.08 0.00 0.26 0.00 0.00 34.13 32.29 1xsb s GLU 102 CO -0.02 -0.44 1.07 0.14 -0.54 0.00 0.00 175.26 175.47 1xsb s VAL 103 N 1.64 3.94 0.29 3.70 -7.23 -1.26 -1.22 120.40 120.25 1xsb s VAL 103 Ca 0.01 1.70 -0.01 0.00 -1.81 0.00 0.00 61.98 61.87 1xsb s VAL 103 Cb -0.15 -4.09 0.16 0.00 0.56 0.00 0.00 36.38 32.86 1xsb s VAL 103 CO -0.08 0.31 1.84 0.11 -0.31 0.00 0.00 175.10 176.97 1xsb h LYS 104 N 4.98 0.81 -5.75 4.82 1.79 -1.65 -3.43 116.57 118.13 1xsb h LYS 104 Ca -0.44 -0.16 -0.67 0.00 -2.18 0.00 0.00 60.65 57.20 1xsb h LYS 104 Cb 1.21 -0.13 -0.10 0.00 -1.58 0.00 0.00 32.23 31.63 1xsb h LYS 104 CO 0.71 0.73 -0.53 0.34 -1.08 0.00 0.00 179.45 179.62 1xsb s ASP 105 N -6.58 5.94 0.12 0.86 3.68 -1.26 -4.99 116.67 114.45 1xsb s ASP 105 Ca -0.10 0.34 -0.14 0.00 2.13 0.00 0.00 52.55 54.78 1xsb s ASP 105 Cb 0.16 -1.85 -0.04 0.00 -1.45 0.00 0.00 42.92 39.74 1xsb s ASP 105 CO 0.80 0.39 1.51 0.22 0.13 0.00 0.00 175.17 178.22 1xsb h TYR 106 N 5.10 0.88 -0.50 -5.34 3.20 -2.01 -2.47 116.97 115.83 1xsb h TYR 106 Ca -0.53 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.13 1xsb h TYR 106 Cb 1.21 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1xsb h TYR 106 CO 0.71 0.94 0.00 -0.40 -1.64 0.00 0.00 178.16 177.76 1xsb n ASP 107 N -4.31 4.65 -3.50 -2.11 3.85 -1.26 -4.99 116.55 108.88 1xsb n ASP 107 Ca -0.02 -2.65 -0.32 0.00 -0.71 0.00 0.00 54.79 51.10 1xsb n ASP 107 Cb 0.39 -0.62 0.01 0.00 -1.35 0.00 0.00 41.12 39.56 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 0.64 0.00 -1.93 2.12 3.14 -0.93 -4.72 118.33 116.64 1xsb n VAL 108 Ca 0.22 -0.41 -0.39 0.00 -2.96 0.00 0.00 64.34 60.80 1xsb n VAL 108 Cb 0.95 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.74 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 -0.93 3.73 -0.26 1.45 -1.05 -1.26 -4.99 118.70 115.39 1xsb s GLU 109 Ca 0.46 2.24 0.01 0.00 -0.15 0.00 0.00 54.97 57.53 1xsb s GLU 109 Cb -0.38 -2.62 0.07 0.00 -0.44 0.00 0.00 34.13 30.75 1xsb s GLU 109 CO 0.56 -0.72 -0.04 0.42 0.95 0.00 0.00 175.26 176.43 1xsb s ILE 110 N -1.27 1.70 -0.16 1.83 -1.09 -1.24 -4.41 121.20 116.56 1xsb s ILE 110 Ca 0.61 -1.46 -0.05 0.00 -2.23 0.00 0.00 60.65 57.52 1xsb s ILE 110 Cb -0.40 -1.99 -0.03 0.00 -1.58 0.00 0.00 42.46 38.46 1xsb s ILE 110 CO 0.50 -0.19 -0.00 -0.13 -1.23 0.00 0.00 174.94 173.89 1xsb s ARG 111 N 1.29 3.76 -0.08 2.79 1.81 1.56 -4.90 118.95 125.19 1xsb s ARG 111 Ca -0.03 -0.45 0.01 0.00 -1.72 0.00 0.00 55.73 53.54 1xsb s ARG 111 Cb -0.19 -3.02 -0.02 0.00 -0.45 0.00 0.00 34.95 31.27 1xsb s ARG 111 CO -0.07 0.27 -0.11 -0.51 -0.68 0.00 0.00 175.30 174.19 1xsb s LEU 112 N 0.32 2.90 0.75 2.53 1.43 -1.26 -0.07 118.68 125.29 1xsb s LEU 112 Ca -0.01 -0.17 -0.10 0.00 -1.03 0.00 0.00 54.13 52.82 1xsb s LEU 112 Cb -0.13 -1.63 0.06 0.00 0.03 0.00 0.00 46.19 44.52 1xsb s LEU 112 CO 0.02 0.29 1.11 -0.55 0.23 0.00 0.00 176.35 177.45 1xsb s SER 113 N -0.41 4.82 0.43 2.29 0.15 -1.25 -4.82 113.70 114.90 1xsb s SER 113 Ca 0.05 0.77 0.23 0.00 0.70 0.00 0.00 55.95 57.70 1xsb s SER 113 Cb -0.12 -1.38 1.23 0.00 -1.71 0.00 0.00 66.02 64.03 1xsb s SER 113 CO 0.02 -1.68 1.75 0.45 1.20 0.00 0.00 173.24 174.98 1xsb h HIS 114 N -0.82 0.54 -0.16 3.44 -0.00 -1.99 0.84 115.15 116.99 1xsb h HIS 114 Ca -0.45 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 59.90 1xsb h HIS 114 Cb 1.31 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 28.55 1xsb h HIS 114 CO 0.36 0.00 -0.04 0.93 -0.00 0.00 0.00 177.93 179.18 1xsb h GLU 115 N 0.28 0.24 -6.09 2.45 3.07 -1.97 -3.42 114.58 109.14 1xsb h GLU 115 Ca 0.63 -0.04 -0.68 0.00 -0.50 0.00 0.00 59.36 58.77 1xsb h GLU 115 Cb 1.82 -0.04 -0.19 0.00 -0.84 0.00 0.00 28.75 29.49 1xsb h GLU 115 CO -0.28 0.30 -0.70 -1.01 -1.40 0.00 0.00 179.01 175.93 1xsb s HIS 116 N -4.91 2.94 -0.09 4.33 3.76 0.29 -2.62 115.29 118.98 1xsb s HIS 116 Ca -0.06 -0.01 0.02 0.00 -0.15 0.00 0.00 55.06 54.86 1xsb s HIS 116 Cb 0.16 -1.72 -0.07 0.00 1.11 0.00 0.00 32.58 32.06 1xsb s HIS 116 CO 0.72 0.30 -0.07 0.94 -0.85 0.00 0.00 174.74 175.78 1xsb n GLN 117 N 2.32 0.59 -3.92 1.40 -0.06 0.54 -4.02 117.38 114.23 1xsb n GLN 117 Ca -0.18 0.05 -0.09 0.00 -2.00 0.00 0.00 57.00 54.78 1xsb n GLN 117 Cb 0.53 -1.20 -0.09 0.00 -4.06 0.00 0.00 30.24 25.42 1xsb n GLN 117 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1xsb s ALA 118 N -2.19 -0.09 0.10 1.69 0.00 -1.20 -4.96 121.76 115.11 1xsb s ALA 118 Ca -0.12 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.29 1xsb s ALA 118 Cb 0.03 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 1xsb s ALA 118 CO 0.24 -0.36 -0.07 1.52 0.00 0.00 0.00 175.76 177.08 1xsb s TYR 119 N -2.91 0.95 0.03 0.00 1.13 -1.26 0.33 117.35 115.63 1xsb s TYR 119 Ca -0.02 -0.85 0.00 0.00 -1.41 0.00 0.00 57.07 54.79 1xsb s TYR 119 Cb 0.01 -0.53 -0.03 0.00 -1.10 0.00 0.00 41.96 40.31 1xsb s TYR 119 CO -0.06 -0.10 -0.04 1.03 -2.51 0.00 0.00 175.55 173.87 1xsb s ARG 120 N -3.65 0.44 -0.37 -3.49 0.52 -0.84 -4.96 118.95 106.60 1xsb s ARG 120 Ca 0.11 -0.80 -0.08 0.00 -0.52 0.00 0.00 55.73 54.45 1xsb s ARG 120 Cb 0.04 0.05 0.05 0.00 0.52 0.00 0.00 34.95 35.60 1xsb s ARG 120 CO -0.03 -0.04 0.16 -1.58 0.02 0.00 0.00 175.30 173.83 1xsb s TRP 121 N -2.06 3.29 0.36 -0.53 0.52 -1.26 -3.06 118.94 116.20 1xsb s TRP 121 Ca -0.09 -1.43 0.04 0.00 0.02 0.00 0.00 56.10 54.63 1xsb s TRP 121 Cb -0.06 -2.52 -0.03 0.00 -1.15 0.00 0.00 33.47 29.71 1xsb s TRP 121 CO -0.03 -0.76 0.12 -0.51 0.02 0.00 0.00 176.95 175.80 1xsb s LEU 122 N 1.42 1.94 0.00 2.99 1.02 -1.24 -4.94 118.68 119.87 1xsb s LEU 122 Ca 0.01 -1.59 -0.06 0.00 0.02 0.00 0.00 54.13 52.50 1xsb s LEU 122 Cb -0.21 -0.07 0.15 0.00 0.02 0.00 0.00 46.19 46.08 1xsb s LEU 122 CO 0.03 -0.86 0.95 0.61 0.02 0.00 0.00 176.35 177.10 1xsb n GLY 123 N -0.78 -0.29 0.36 -3.19 0.00 -1.26 -1.20 105.19 98.83 1xsb n GLY 123 Ca -0.03 -1.88 0.03 0.00 0.00 0.00 0.00 46.02 44.14 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 0.89 0.53 0.99 5.85 -1.94 0.13 115.31 121.76 1xsb h LEU 124 Ca -0.31 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 1xsb h LEU 124 Cb 1.00 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 1xsb h LEU 124 CO 0.28 0.60 -0.31 1.05 -0.34 0.00 0.00 178.44 179.71 1xsb h GLU 125 N 1.03 -0.77 -0.21 1.25 4.11 -1.95 0.29 114.58 118.34 1xsb h GLU 125 Ca 0.35 0.05 -0.10 0.00 0.07 0.00 0.00 59.36 59.73 1xsb h GLU 125 Cb 0.09 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1xsb h GLU 125 CO -0.11 -0.51 -0.27 0.93 0.07 0.00 0.00 179.01 179.12 1xsb h GLU 126 N -0.80 0.55 -0.76 1.06 4.39 -1.89 -1.46 114.58 115.68 1xsb h GLU 126 Ca -0.06 -0.31 0.18 0.00 0.34 0.00 0.00 59.36 59.51 1xsb h GLU 126 Cb 0.64 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 29.27 1xsb h GLU 126 CO 0.07 0.91 0.52 0.00 -1.16 0.00 0.00 179.01 179.35 1xsb h ALA 127 N 0.63 2.39 0.18 3.43 0.00 -0.92 0.77 119.26 125.74 1xsb h ALA 127 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xsb h ALA 127 Cb 0.84 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1xsb h ALA 127 CO 0.06 -0.61 -0.09 0.00 0.00 0.00 0.00 179.25 178.62 1xsb h GLN 129 N -0.89 0.29 -0.28 0.00 3.07 -0.14 -2.09 115.11 115.07 1xsb h GLN 129 Ca -0.02 -0.02 0.05 0.00 0.09 0.00 0.00 58.65 58.74 1xsb h GLN 129 Cb 0.51 -0.06 -0.04 0.00 0.08 0.00 0.00 27.48 27.96 1xsb h GLN 129 CO 0.04 0.19 0.01 -0.07 0.09 0.00 0.00 178.83 179.09 1xsb h LEU 130 N 0.30 -0.08 -4.60 0.06 3.38 0.42 -1.53 115.31 113.25 1xsb h LEU 130 Ca 0.10 0.06 -0.48 0.00 0.09 0.00 0.00 57.88 57.65 1xsb h LEU 130 Cb 0.01 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1xsb h LEU 130 CO -0.05 -0.01 2.14 0.00 0.09 0.00 0.00 178.44 180.61 1xsb n ALA 131 N -2.40 7.10 -0.31 1.53 0.00 0.26 -3.87 120.51 122.82 1xsb n ALA 131 Ca -0.01 -2.85 0.30 0.00 0.00 0.00 0.00 53.44 50.88 1xsb n ALA 131 Cb 0.14 -2.95 0.54 0.00 0.00 0.00 0.00 19.45 17.18 1xsb n ALA 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1xsb n GLN 132 N 3.12 -0.05 -1.68 0.00 1.13 -0.58 -3.71 117.38 115.62 1xsb n GLN 132 Ca 0.64 1.18 -0.53 0.00 -1.94 0.00 0.00 57.00 56.35 1xsb n GLN 132 Cb 0.51 -2.17 -0.06 0.00 0.11 0.00 0.00 30.24 28.62 1xsb n GLN 132 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 1xsb n PHE 133 N -4.85 2.03 -0.12 1.08 3.72 -1.26 -4.79 117.46 113.27 1xsb n PHE 133 Ca 0.34 0.40 0.07 0.00 -0.05 0.00 0.00 57.45 58.21 1xsb n PHE 133 Cb 1.19 -2.49 0.40 0.00 -0.94 0.00 0.00 39.48 37.64 1xsb n PHE 133 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 1xsb h LYS 134 N 7.04 0.62 -0.77 -1.08 3.64 -1.96 -1.32 116.57 122.75 1xsb h LYS 134 Ca -0.47 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 58.93 1xsb h LYS 134 Cb 1.31 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 1xsb h LYS 134 CO 0.92 0.41 0.47 0.93 -2.27 0.00 0.00 179.45 179.90 1xsb h GLU 135 N 0.64 0.84 0.06 1.90 5.08 -1.89 0.26 114.58 121.47 1xsb h GLU 135 Ca 0.27 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.45 1xsb h GLU 135 Cb 0.24 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.31 1xsb h GLU 135 CO -0.08 0.55 -0.54 0.52 -1.00 0.00 0.00 179.01 178.47 1xsb h MET 136 N 0.86 0.26 -0.57 2.33 2.86 -1.64 0.54 114.93 119.58 1xsb h MET 136 Ca 0.33 -0.36 0.16 0.00 -2.06 0.00 0.00 59.70 57.77 1xsb h MET 136 Cb 0.15 0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.90 1xsb h MET 136 CO -0.16 1.11 0.41 0.87 1.06 0.00 0.00 176.91 180.20 1xsb h LYS 137 N -0.41 0.03 0.01 1.72 1.57 -1.03 1.13 116.57 119.60 1xsb h LYS 137 Ca -0.08 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1xsb h LYS 137 Cb 1.35 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1xsb h LYS 137 CO 0.10 0.02 -0.01 0.00 -0.57 0.00 0.00 179.45 179.00 1xsb h ALA 138 N 1.71 -0.02 -0.18 3.86 0.00 -0.30 -0.85 119.26 123.49 1xsb h ALA 138 Ca 0.27 -0.39 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1xsb h ALA 138 Cb 1.05 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.80 1xsb h ALA 138 CO -0.01 -0.05 -0.13 0.00 0.00 0.00 0.00 179.25 179.05 1xsb h ALA 139 N -0.09 -0.00 0.00 0.00 0.00 0.21 1.44 119.26 120.81 1xsb h ALA 139 Ca -0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1xsb h ALA 139 Cb 0.78 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1xsb h ALA 139 CO 0.00 -0.57 -0.08 -0.07 0.00 0.00 0.00 179.25 178.54 1xsb h LEU 140 N -0.14 0.00 0.06 0.00 3.38 0.11 -0.17 115.31 118.55 1xsb h LEU 140 Ca 0.11 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1xsb h LEU 140 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1xsb h LEU 140 CO -0.26 0.08 -0.03 1.56 0.09 0.00 0.00 178.44 179.88 1xsb h GLN 141 N 0.00 -0.07 -0.42 1.13 1.08 0.18 -3.03 115.11 113.97 1xsb h GLN 141 Ca -0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 1xsb h GLN 141 Cb 0.17 0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1xsb h GLN 141 CO 0.01 0.54 -0.08 0.93 -0.95 0.00 0.00 178.83 179.28 1xsb h GLU 142 N -0.88 0.74 -0.32 1.46 5.08 0.18 -1.15 114.58 119.69 1xsb h GLU 142 Ca -0.01 -0.22 0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1xsb h GLU 142 Cb 0.64 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 1xsb h GLU 142 CO 0.01 0.80 0.07 0.78 -1.00 0.00 0.00 179.01 179.67 1xsb h GLY 143 N 0.97 0.37 0.97 -3.84 0.00 -1.13 0.80 103.07 101.21 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 -0.01 0.11 0.84 0.00 0.00 0.00 176.54 177.51 1xsb h HIS 144 N 0.19 0.83 -0.66 5.60 -0.00 -1.37 -0.14 115.15 119.59 1xsb h HIS 144 Ca 0.15 -0.10 -0.00 0.00 -0.00 0.00 0.00 60.37 60.42 1xsb h HIS 144 Cb 0.16 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.30 1xsb h HIS 144 CO -0.17 0.75 0.41 0.37 -0.00 0.00 0.00 177.93 179.28 1xsb h GLN 145 N 0.67 0.89 0.10 5.26 5.75 -0.17 -1.60 115.11 126.01 1xsb h GLN 145 Ca 0.15 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1xsb h GLN 145 Cb 0.34 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.70 1xsb h GLN 145 CO 0.00 0.62 -0.05 0.35 -2.65 0.00 0.00 178.83 177.11 1xsb h PHE 146 N 0.89 -0.13 -0.69 3.99 3.04 0.81 -3.06 116.94 121.80 1xsb h PHE 146 Ca 0.24 -0.00 0.15 0.00 3.98 0.00 0.00 57.97 62.34 1xsb h PHE 146 Cb -0.04 0.04 -0.04 0.00 2.56 0.00 0.00 35.95 38.47 1xsb h PHE 146 CO -0.02 0.36 0.47 -0.07 -2.02 0.00 0.00 178.31 177.03 1xsb h LEU 147 N -0.71 0.25 -0.41 0.59 3.38 -0.99 0.99 115.31 118.42 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 0.54 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1xsb h LEU 147 CO 0.02 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.68 1xsb n SER 149 N -2.03 0.94 0.00 0.00 7.64 0.34 -4.83 113.62 115.67 1xsb n SER 149 Ca 0.03 -0.77 0.00 0.00 1.01 0.00 0.00 58.87 59.14 1xsb n SER 149 Cb 0.25 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 -0.82 0.00 0.00 0.44 5.41 -0.98 -5.11 119.36 118.30 1xsb n ILE 150 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.86 1xsb n ILE 150 Cb 0.35 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 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 -0.08 0.38 2.13 -1.26 -5.05 120.64 116.76 1xsb n GLU 151 Ca 0.00 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 57.75 1xsb n GLU 151 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 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 -1.14 0.73 1.65 4.31 0.00 -1.26 -5.10 120.51 119.70 1xsb n ALA 152 Ca 0.00 -0.71 0.15 0.00 0.00 0.00 0.00 53.44 52.87 1xsb n ALA 152 Cb 0.00 0.02 0.65 0.00 0.00 0.00 0.00 19.45 20.13 1xsb n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78