#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 3.96 -0.02 1.61 0.04 -1.26 -5.01 135.00 134.32 1xsb s PRO 2 Ca 0.00 1.65 -0.25 0.00 0.04 0.00 0.00 61.00 62.44 1xsb s PRO 2 Cb 0.00 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 1xsb s PRO 2 CO 0.00 -0.35 0.78 -0.51 0.04 0.00 0.00 177.00 176.96 1xsb s LEU 3 N -2.84 4.36 0.00 -3.56 1.43 -1.26 -4.85 118.68 111.97 1xsb s LEU 3 Ca 0.61 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 1xsb s LEU 3 Cb -0.25 -3.23 0.00 0.00 0.03 0.00 0.00 46.19 42.74 1xsb s LEU 3 CO 0.31 -0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1xsb n GLY 4 N 2.87 -0.65 3.80 -3.19 0.00 -1.26 -4.83 105.19 101.93 1xsb n GLY 4 Ca 0.00 -1.14 -0.31 0.00 0.00 0.00 0.00 46.02 44.57 1xsb n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xsb s SER 5 N -4.00 4.99 0.09 1.61 1.04 -1.26 -5.00 113.70 111.17 1xsb s SER 5 Ca 0.00 1.63 -0.28 0.00 0.48 0.00 0.00 55.95 57.79 1xsb s SER 5 Cb 0.00 -2.44 -0.06 0.00 0.10 0.00 0.00 66.02 63.62 1xsb s SER 5 CO 0.00 -1.70 0.86 -0.32 0.98 0.00 0.00 173.24 173.07 1xsb s MET 6 N -5.02 4.61 0.30 4.02 1.75 -1.26 -4.86 119.30 118.84 1xsb s MET 6 Ca 0.59 1.27 0.00 0.00 -1.25 0.00 0.00 55.69 56.30 1xsb s MET 6 Cb -0.15 -3.36 0.00 0.00 2.84 0.00 0.00 34.83 34.16 1xsb s MET 6 CO 0.55 0.29 0.00 0.00 -0.65 0.00 0.00 175.02 175.21 1xsb n ALA 7 N 2.63 -3.15 -2.73 4.11 0.00 -1.26 -4.79 120.51 115.32 1xsb n ALA 7 Ca -0.01 0.43 -0.35 0.00 0.00 0.00 0.00 53.44 53.51 1xsb n ALA 7 Cb 0.49 -1.10 -0.09 0.00 0.00 0.00 0.00 19.45 18.76 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 -5.58 3.76 0.14 0.00 1.02 -0.71 -4.99 118.68 112.32 1xsb s LEU 8 Ca 0.00 0.21 -0.28 0.00 0.02 0.00 0.00 54.13 54.08 1xsb s LEU 8 Cb 0.00 -1.87 -0.07 0.00 0.02 0.00 0.00 46.19 44.27 1xsb s LEU 8 CO 0.00 0.38 0.89 -0.60 0.02 0.00 0.00 176.35 177.04 1xsb s ARG 9 N -0.89 4.68 0.04 1.70 3.52 -1.26 -1.96 118.95 124.78 1xsb s ARG 9 Ca 0.13 1.34 -0.08 0.00 -0.13 0.00 0.00 55.73 57.00 1xsb s ARG 9 Cb -0.11 -3.33 -0.00 0.00 -1.56 0.00 0.00 34.95 29.94 1xsb s ARG 9 CO 0.03 0.37 0.16 0.00 -0.81 0.00 0.00 175.30 175.04 1xsb s ALA 10 N -0.52 -0.24 -0.14 6.12 0.00 -0.36 -3.35 121.76 123.28 1xsb s ALA 10 Ca 0.42 -0.42 -0.06 0.00 0.00 0.00 0.00 51.96 51.91 1xsb s ALA 10 Cb -0.24 0.29 0.06 0.00 0.00 0.00 0.00 23.12 23.24 1xsb s ALA 10 CO 0.29 -0.36 0.30 0.00 0.00 0.00 0.00 175.76 175.98 1xsb s GLY 12 N 2.12 2.71 -0.18 0.00 0.00 -1.08 -3.38 107.32 107.50 1xsb s GLY 12 Ca -0.02 -1.16 0.01 0.00 0.00 0.00 0.00 44.72 43.54 1xsb s GLY 12 CO -0.10 -2.04 -0.16 1.08 0.00 0.00 0.00 173.10 171.89 1xsb s LEU 13 N -3.73 2.11 -0.61 0.66 1.43 -0.74 -3.98 118.68 113.82 1xsb s LEU 13 Ca 0.20 -0.69 -0.26 0.00 -1.03 0.00 0.00 54.13 52.34 1xsb s LEU 13 Cb 0.04 -1.34 0.04 0.00 0.03 0.00 0.00 46.19 44.96 1xsb s LEU 13 CO 0.10 -0.06 1.10 -0.63 0.23 0.00 0.00 176.35 177.10 1xsb s ILE 14 N 1.36 4.11 -0.04 -0.59 1.01 -0.77 -4.29 121.20 121.99 1xsb s ILE 14 Ca 0.03 0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.99 1xsb s ILE 14 Cb -0.14 -4.70 -0.05 0.00 0.01 0.00 0.00 42.46 37.57 1xsb s ILE 14 CO -0.11 -1.39 0.37 -0.63 0.00 0.00 0.00 174.94 173.18 1xsb s ILE 15 N 4.69 5.13 -0.06 2.92 1.01 -1.26 0.36 121.20 133.99 1xsb s ILE 15 Ca 0.35 0.74 -0.01 0.00 0.00 0.00 0.00 60.65 61.72 1xsb s ILE 15 Cb -0.10 -3.67 0.03 0.00 0.01 0.00 0.00 42.46 38.72 1xsb s ILE 15 CO 0.19 0.54 0.02 0.72 0.00 0.00 0.00 174.94 176.41 1xsb s PHE 16 N -0.74 0.48 -0.36 3.97 -0.12 1.03 -1.26 117.98 120.99 1xsb s PHE 16 Ca 0.22 -0.04 -0.17 0.00 -0.05 0.00 0.00 56.93 56.88 1xsb s PHE 16 Cb -0.16 -0.68 -0.00 0.00 -0.63 0.00 0.00 43.02 41.55 1xsb s PHE 16 CO 0.11 -0.27 0.47 -0.98 -0.05 0.00 0.00 175.22 174.50 1xsb s ARG 17 N 1.93 3.55 0.27 1.99 1.70 -0.20 -3.87 118.95 124.33 1xsb s ARG 17 Ca 0.04 -0.28 -0.29 0.00 -0.47 0.00 0.00 55.73 54.73 1xsb s ARG 17 Cb -0.12 -3.82 -0.09 0.00 -0.57 0.00 0.00 34.95 30.34 1xsb s ARG 17 CO -0.04 -0.64 0.95 0.50 -1.08 0.00 0.00 175.30 174.99 1xsb s ARG 18 N 2.29 4.75 -0.07 3.89 3.52 -1.26 -3.06 118.95 129.00 1xsb s ARG 18 Ca 0.16 1.45 -0.05 0.00 -0.13 0.00 0.00 55.73 57.17 1xsb s ARG 18 Cb -0.16 -3.11 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 1xsb s ARG 18 CO 0.13 0.42 0.13 0.00 -0.81 0.00 0.00 175.30 175.17 1xsb h LEU 20 N 4.57 0.16 -7.48 0.00 3.38 -1.96 -3.45 115.31 110.54 1xsb h LEU 20 Ca -0.52 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.43 1xsb h LEU 20 Cb 1.21 0.03 -0.15 0.00 0.09 0.00 0.00 40.66 41.85 1xsb h LEU 20 CO 0.61 0.13 -0.16 0.27 0.09 0.00 0.00 178.44 179.38 1xsb s ILE 21 N -6.14 0.08 0.00 1.22 -0.00 -1.26 -5.17 121.20 109.93 1xsb s ILE 21 Ca -0.13 -0.65 0.00 0.00 -0.00 0.00 0.00 60.65 59.87 1xsb s ILE 21 Cb 0.14 -1.09 0.00 0.00 -0.00 0.00 0.00 42.46 41.50 1xsb s ILE 21 CO 0.72 -0.36 0.00 -2.65 -0.00 0.00 0.00 174.94 172.65 1xsb n PRO 22 N 0.13 1.05 0.00 0.37 -0.02 -1.26 -4.63 135.00 130.64 1xsb n PRO 22 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.31 1xsb n PRO 22 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.10 1xsb n PRO 22 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1xsb n LYS 23 N 0.00 0.00 -0.07 -0.52 5.02 -1.26 -4.42 118.16 116.91 1xsb n LYS 23 Ca 0.00 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 1xsb n LYS 23 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xsb h VAL 24 N 0.00 1.33 -0.38 -0.18 2.07 -2.01 -2.39 116.25 114.69 1xsb h VAL 24 Ca 0.00 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 66.14 1xsb h VAL 24 Cb 0.00 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1xsb h VAL 24 CO 0.00 0.42 0.00 0.47 0.02 0.00 0.00 177.57 178.48 1xsb n ASP 25 N -4.43 2.90 0.00 0.57 10.43 -1.26 -4.80 116.55 119.96 1xsb n ASP 25 Ca -0.05 -2.23 0.00 0.00 2.57 0.00 0.00 54.79 55.07 1xsb n ASP 25 Cb 0.41 -0.43 0.00 0.00 1.84 0.00 0.00 41.12 42.95 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 0.57 0.00 -4.61 -2.24 6.94 -0.90 -3.77 115.26 111.24 1xsb n ASN 26 Ca 0.15 0.00 -0.46 0.00 -0.02 0.00 0.00 54.58 54.25 1xsb n ASN 26 Cb 0.55 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.93 1xsb n ASN 26 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1xsb n ASN 27 N 0.00 3.28 -0.26 0.53 2.85 -1.26 -4.48 115.26 115.92 1xsb n ASN 27 Ca 0.00 0.63 -0.05 0.00 -0.11 0.00 0.00 54.58 55.05 1xsb n ASN 27 Cb 0.00 -1.43 0.06 0.00 1.24 0.00 0.00 39.78 39.64 1xsb n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1xsb h ALA 28 N 11.78 0.93 -3.40 5.20 0.00 -1.94 -3.42 119.26 128.41 1xsb h ALA 28 Ca -0.43 -0.11 -0.65 0.00 0.00 0.00 0.00 54.91 53.72 1xsb h ALA 28 Cb 1.27 -0.29 -0.33 0.00 0.00 0.00 0.00 17.79 18.44 1xsb h ALA 28 CO 0.96 0.43 -0.87 0.42 0.00 0.00 0.00 179.25 180.19 1xsb s ILE 29 N -5.88 1.92 0.27 0.00 1.01 -1.26 -1.34 121.20 115.92 1xsb s ILE 29 Ca -0.13 -0.94 0.10 0.00 0.00 0.00 0.00 60.65 59.69 1xsb s ILE 29 Cb 0.15 -1.66 -0.05 0.00 0.01 0.00 0.00 42.46 40.90 1xsb s ILE 29 CO 0.79 0.53 -0.17 -1.61 0.00 0.00 0.00 174.94 174.49 1xsb s GLU 30 N 0.35 1.62 0.18 2.79 2.02 -1.17 -4.15 118.70 120.34 1xsb s GLU 30 Ca -0.17 -1.76 0.10 0.00 0.02 0.00 0.00 54.97 53.16 1xsb s GLU 30 Cb -0.17 -1.60 -0.04 0.00 0.10 0.00 0.00 34.13 32.42 1xsb s GLU 30 CO 0.08 0.26 -0.22 -0.06 0.02 0.00 0.00 175.26 175.33 1xsb s PHE 31 N -2.65 2.13 -0.10 1.61 0.08 -0.68 -1.03 117.98 117.35 1xsb s PHE 31 Ca 0.29 -0.39 -0.24 0.00 0.12 0.00 0.00 56.93 56.71 1xsb s PHE 31 Cb -0.03 -1.06 -0.03 0.00 -0.57 0.00 0.00 43.02 41.34 1xsb s PHE 31 CO 0.13 0.44 0.73 -1.17 -0.10 0.00 0.00 175.22 175.26 1xsb s LEU 32 N -2.66 4.27 -0.06 -0.37 2.96 -0.39 -3.69 118.68 118.74 1xsb s LEU 32 Ca 0.19 1.17 0.03 0.00 -0.22 0.00 0.00 54.13 55.30 1xsb s LEU 32 Cb -0.07 -3.12 0.01 0.00 0.50 0.00 0.00 46.19 43.51 1xsb s LEU 32 CO 0.09 -0.19 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.01 1xsb s LEU 33 N 1.19 1.77 -0.09 -0.68 1.43 -1.13 -4.51 118.68 116.66 1xsb s LEU 33 Ca 0.37 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 53.12 1xsb s LEU 33 Cb -0.17 -0.92 -0.03 0.00 0.03 0.00 0.00 46.19 45.09 1xsb s LEU 33 CO 0.17 0.08 -0.02 -0.76 0.23 0.00 0.00 176.35 176.05 1xsb s LEU 34 N 0.46 3.47 -0.23 1.79 1.43 -0.85 -1.64 118.68 123.10 1xsb s LEU 34 Ca -0.12 0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 52.93 1xsb s LEU 34 Cb -0.15 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1xsb s LEU 34 CO 0.04 0.35 0.28 -1.58 0.23 0.00 0.00 176.35 175.67 1xsb s GLN 35 N -0.73 4.10 0.37 1.70 0.74 0.45 -2.33 119.66 123.96 1xsb s GLN 35 Ca 0.11 -0.05 -0.27 0.00 0.05 0.00 0.00 55.36 55.20 1xsb s GLN 35 Cb -0.11 -3.55 -0.11 0.00 1.10 0.00 0.00 33.01 30.33 1xsb s GLN 35 CO 0.02 -0.02 1.30 0.00 -0.55 0.00 0.00 175.29 176.04 1xsb n ALA 36 N 4.48 1.37 1.28 1.58 0.00 -1.14 -1.66 120.51 126.42 1xsb n ALA 36 Ca -0.12 0.33 0.15 0.00 0.00 0.00 0.00 53.44 53.80 1xsb n ALA 36 Cb 0.51 -2.27 0.71 0.00 0.00 0.00 0.00 19.45 18.41 1xsb n ALA 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1xsb n SER 37 N 0.56 0.00 -3.95 0.00 3.41 0.89 -4.43 113.62 110.11 1xsb n SER 37 Ca 0.05 0.07 -0.14 0.00 -0.26 0.00 0.00 58.87 58.59 1xsb n SER 37 Cb 0.37 -0.36 -0.09 0.00 -0.26 0.00 0.00 64.21 63.87 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 -2.72 0.65 0.00 4.04 1.01 -1.26 -4.94 116.67 113.45 1xsb s ASP 38 Ca 0.24 -1.50 0.00 0.00 0.71 0.00 0.00 52.55 51.99 1xsb s ASP 38 Cb 0.20 0.43 0.00 0.00 1.01 0.00 0.00 42.92 44.56 1xsb s ASP 38 CO 0.49 -0.91 0.00 0.61 0.21 0.00 0.00 175.17 175.57 1xsb n GLY 39 N -0.38 -0.61 0.00 0.21 0.00 -1.26 -3.39 105.19 99.75 1xsb n GLY 39 Ca 0.04 -1.16 0.11 0.00 0.00 0.00 0.00 46.02 45.00 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 -3.25 -0.61 -5.35 -1.26 -4.86 119.36 104.03 1xsb n ILE 40 Ca 0.00 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.28 1xsb n ILE 40 Cb 0.00 -0.40 0.06 0.00 -1.74 0.00 0.00 39.64 37.56 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 -0.87 -2.18 -1.24 4.28 8.25 -1.22 -4.96 115.22 117.29 1xsb n HIS 41 Ca 0.16 0.72 -0.32 0.00 -0.26 0.00 0.00 57.72 58.03 1xsb n HIS 41 Cb 0.08 -4.26 0.10 0.00 1.12 0.00 0.00 29.99 27.03 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 -3.21 2.22 -0.19 4.41 -3.43 -1.26 -4.44 115.29 109.39 1xsb s HIS 42 Ca 0.42 1.63 -0.10 0.00 -0.80 0.00 0.00 55.06 56.21 1xsb s HIS 42 Cb -0.18 -3.24 -0.05 0.00 -1.43 0.00 0.00 32.58 27.68 1xsb s HIS 42 CO 0.52 -2.22 0.14 -1.58 -2.00 0.00 0.00 174.74 169.60 1xsb s TRP 43 N -2.54 3.43 0.03 0.38 0.52 -1.26 -2.88 118.94 116.62 1xsb s TRP 43 Ca 0.66 0.36 -0.24 0.00 0.02 0.00 0.00 56.10 56.91 1xsb s TRP 43 Cb -0.22 -2.15 0.06 0.00 -1.15 0.00 0.00 33.47 30.01 1xsb s TRP 43 CO 0.52 0.32 0.55 0.95 0.02 0.00 0.00 176.95 179.31 1xsb s THR 44 N 0.25 0.02 0.70 2.01 -4.23 -0.98 -4.42 115.64 108.99 1xsb s THR 44 Ca 0.09 -0.18 -0.15 0.00 -1.18 0.00 0.00 61.69 60.27 1xsb s THR 44 Cb -0.11 -0.96 0.02 0.00 1.34 0.00 0.00 72.50 72.79 1xsb s THR 44 CO -0.01 -0.10 1.17 -2.16 -0.54 0.00 0.00 174.62 172.98 1xsb s PRO 45 N -2.21 2.41 -0.22 3.99 0.04 -1.26 -2.02 135.00 135.73 1xsb s PRO 45 Ca -0.06 1.63 -0.33 0.00 0.04 0.00 0.00 61.00 62.28 1xsb s PRO 45 Cb -0.01 -1.88 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 1xsb s PRO 45 CO 0.00 -1.60 2.10 -0.35 0.04 0.00 0.00 177.00 177.20 1xsb n PRO 46 N -2.56 1.73 -4.14 0.56 -0.04 -1.26 -4.79 135.00 124.51 1xsb n PRO 46 Ca 0.12 0.54 -0.11 0.00 -0.04 0.00 0.00 63.50 64.01 1xsb n PRO 46 Cb 0.51 -2.77 -0.10 0.00 -0.04 0.00 0.00 33.50 31.09 1xsb n PRO 46 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 1xsb s LYS 47 N 5.57 0.75 0.00 0.54 -2.85 -1.26 -1.80 119.74 120.69 1xsb s LYS 47 Ca 1.01 -1.19 0.00 0.00 -1.00 0.00 0.00 55.97 54.79 1xsb s LYS 47 Cb -0.63 -0.20 0.00 0.00 -2.06 0.00 0.00 37.83 34.93 1xsb s LYS 47 CO 0.45 -0.01 0.00 0.41 0.10 0.00 0.00 175.35 176.31 1xsb n GLY 48 N 0.32 2.22 3.78 0.59 0.00 -1.22 -4.97 105.19 105.91 1xsb n GLY 48 Ca -0.15 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.55 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 -7.69 3.39 0.07 1.61 3.76 -1.26 -2.52 115.29 112.65 1xsb s HIS 49 Ca 0.00 0.35 -0.22 0.00 -0.15 0.00 0.00 55.06 55.04 1xsb s HIS 49 Cb 0.00 -1.89 -0.06 0.00 1.11 0.00 0.00 32.58 31.74 1xsb s HIS 49 CO 0.00 0.58 0.66 0.54 -0.85 0.00 0.00 174.74 175.67 1xsb s VAL 50 N -0.85 4.69 0.42 -0.90 0.11 -1.21 -4.91 120.40 117.73 1xsb s VAL 50 Ca 0.13 1.41 -0.07 0.00 -2.93 0.00 0.00 61.98 60.52 1xsb s VAL 50 Cb -0.12 -4.00 0.11 0.00 -1.53 0.00 0.00 36.38 30.84 1xsb s VAL 50 CO 0.03 0.48 0.32 1.21 -3.33 0.00 0.00 175.10 173.81 1xsb n GLU 51 N 2.11 -2.15 0.00 1.54 4.07 -1.26 -4.93 120.64 120.01 1xsb n GLU 51 Ca -0.07 -0.52 0.00 0.00 -0.06 0.00 0.00 57.16 56.51 1xsb n GLU 51 Cb 0.50 -0.55 0.00 0.00 -0.06 0.00 0.00 31.44 31.34 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 -2.80 0.00 0.00 5.31 -0.04 -1.26 -3.79 135.00 132.41 1xsb n PRO 52 Ca 0.05 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.77 1xsb n PRO 52 Cb 0.19 -0.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.76 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 1.51 1.43 3.89 0.55 0.00 -1.26 -4.80 105.19 106.51 1xsb n GLY 53 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1xsb n GLY 53 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xsb s GLU 54 N -0.58 3.64 0.78 1.61 2.12 -1.25 -5.08 118.70 119.95 1xsb s GLU 54 Ca 0.00 -0.04 -0.11 0.00 0.36 0.00 0.00 54.97 55.18 1xsb s GLU 54 Cb 0.00 -2.84 0.06 0.00 0.26 0.00 0.00 34.13 31.61 1xsb s GLU 54 CO 0.00 0.46 1.08 0.34 -0.54 0.00 0.00 175.26 176.60 1xsb s ASP 55 N -2.39 4.61 -0.07 -1.70 2.15 -1.26 -4.77 116.67 113.24 1xsb s ASP 55 Ca 0.41 1.50 -0.26 0.00 0.43 0.00 0.00 52.55 54.64 1xsb s ASP 55 Cb -0.12 -2.27 -0.25 0.00 -0.30 0.00 0.00 42.92 39.98 1xsb s ASP 55 CO 0.24 -1.92 0.96 0.44 -0.17 0.00 0.00 175.17 174.72 1xsb h ASP 56 N -1.05 0.17 -0.07 -0.34 3.45 -1.97 -2.97 116.42 113.64 1xsb h ASP 56 Ca -0.46 -0.84 -0.08 0.00 0.43 0.00 0.00 57.03 56.08 1xsb h ASP 56 Cb 1.25 -0.05 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 1xsb h ASP 56 CO 0.57 0.99 -0.27 0.25 -1.57 0.00 0.00 179.24 179.21 1xsb h LEU 57 N -0.63 0.36 -1.25 1.55 5.85 -1.97 -3.01 115.31 116.20 1xsb h LEU 57 Ca -0.03 -0.63 0.15 0.00 0.84 0.00 0.00 57.88 58.21 1xsb h LEU 57 Cb 1.04 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.89 1xsb h LEU 57 CO 0.04 0.93 0.58 -0.33 -0.34 0.00 0.00 178.44 179.32 1xsb h GLU 58 N -0.18 0.69 -0.77 1.25 3.07 -1.97 0.72 114.58 117.39 1xsb h GLU 58 Ca -0.01 -0.04 0.04 0.00 -0.50 0.00 0.00 59.36 58.84 1xsb h GLU 58 Cb 0.90 -0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 28.61 1xsb h GLU 58 CO 0.06 0.46 0.48 1.15 -1.40 0.00 0.00 179.01 179.76 1xsb h THR 59 N 0.72 1.10 -0.30 1.13 2.02 -1.45 1.83 112.91 117.96 1xsb h THR 59 Ca 0.46 -0.32 -0.06 0.00 0.77 0.00 0.00 66.41 67.26 1xsb h THR 59 Cb 0.72 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1xsb h THR 59 CO -0.22 0.17 -0.04 0.00 0.37 0.00 0.00 175.52 175.80 1xsb h ALA 60 N 1.33 0.41 0.16 6.16 0.00 0.27 0.67 119.26 128.26 1xsb h ALA 60 Ca 0.31 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1xsb h ALA 60 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1xsb h ALA 60 CO -0.12 0.20 -0.11 -0.07 0.00 0.00 0.00 179.25 179.15 1xsb h LEU 61 N 0.33 -0.29 -0.78 0.00 3.38 0.14 1.36 115.31 119.46 1xsb h LEU 61 Ca 0.08 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1xsb h LEU 61 Cb 0.51 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1xsb h LEU 61 CO 0.02 -0.18 0.44 -0.09 0.09 0.00 0.00 178.44 178.72 1xsb h ARG 62 N -0.28 1.07 -0.21 1.13 2.43 0.29 -1.72 114.38 117.09 1xsb h ARG 62 Ca -0.01 -0.12 -0.12 0.00 -0.81 0.00 0.00 59.98 58.93 1xsb h ARG 62 Cb 0.24 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1xsb h ARG 62 CO 0.00 0.78 -0.37 0.00 -1.51 0.00 0.00 179.97 178.87 1xsb h ALA 63 N 1.23 0.96 -0.45 2.80 0.00 0.94 0.65 119.26 125.39 1xsb h ALA 63 Ca 0.28 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1xsb h ALA 63 Cb 0.01 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1xsb h ALA 63 CO -0.05 0.62 0.28 1.15 0.00 0.00 0.00 179.25 181.25 1xsb h THR 64 N 0.40 1.08 0.10 0.00 2.02 0.26 0.15 112.91 116.92 1xsb h THR 64 Ca 0.04 -0.20 -0.26 0.00 0.77 0.00 0.00 66.41 66.77 1xsb h THR 64 Cb 0.83 0.45 0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1xsb h THR 64 CO 0.07 0.10 -1.06 -0.61 0.37 0.00 0.00 175.52 174.39 1xsb h GLN 65 N 0.58 0.55 -0.70 6.66 4.15 0.62 0.34 115.11 127.30 1xsb h GLN 65 Ca 0.17 -0.72 -0.02 0.00 0.77 0.00 0.00 58.65 58.85 1xsb h GLN 65 Cb -0.03 0.24 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 1xsb h GLN 65 CO -0.06 1.31 0.34 0.93 -1.93 0.00 0.00 178.83 179.42 1xsb h GLU 66 N 0.13 0.99 -0.03 1.69 5.08 -0.71 3.45 114.58 125.18 1xsb h GLU 66 Ca -0.16 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1xsb h GLU 66 Cb 1.76 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1xsb h GLU 66 CO 0.20 0.76 -0.03 0.39 -1.00 0.00 0.00 179.01 179.33 1xsb n GLU 67 N -4.34 1.92 0.00 2.33 1.02 0.50 -3.81 120.64 118.27 1xsb n GLU 67 Ca 0.07 -1.71 0.00 0.00 -0.02 0.00 0.00 57.16 55.50 1xsb n GLU 67 Cb 0.13 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.11 0.00 -0.29 0.62 0.00 0.12 -4.16 120.51 117.91 1xsb n ALA 68 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1xsb n ALA 68 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 1.51 3.70 0.00 0.00 1.14 0.41 105.19 111.95 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 -2.95 5.12 0.40 -0.61 1.01 -1.21 -4.74 121.20 118.21 1xsb s ILE 70 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 60.65 60.79 1xsb s ILE 70 Cb 0.00 -3.31 -0.07 0.00 0.01 0.00 0.00 42.46 39.09 1xsb s ILE 70 CO 0.00 0.47 0.02 -0.70 0.00 0.00 0.00 174.94 174.73 1xsb s GLU 71 N 0.19 1.93 0.40 2.79 2.12 -1.26 0.30 118.70 125.17 1xsb s GLU 71 Ca 0.07 -2.10 0.18 0.00 0.36 0.00 0.00 54.97 53.48 1xsb s GLU 71 Cb -0.12 -1.52 1.08 0.00 0.26 0.00 0.00 34.13 33.84 1xsb s GLU 71 CO -0.00 -0.09 1.81 0.00 -0.54 0.00 0.00 175.26 176.44 1xsb h ALA 72 N 1.80 2.21 0.00 6.30 0.00 -1.86 2.71 119.26 130.43 1xsb h ALA 72 Ca -0.43 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1xsb h ALA 72 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xsb h ALA 72 CO 0.79 -0.56 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1xsb n GLY 73 N -1.49 -0.85 0.00 0.00 0.00 -1.26 -1.79 105.19 99.80 1xsb n GLY 73 Ca 0.23 -0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.28 1xsb n GLY 73 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1xsb n GLN 74 N -1.64 3.76 -3.46 1.61 6.02 0.89 -5.01 117.38 119.55 1xsb n GLN 74 Ca 0.02 -0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.84 1xsb n GLN 74 Cb 0.11 -0.91 -0.04 0.00 1.02 0.00 0.00 30.24 30.41 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 -1.28 0.00 -3.90 1.08 -0.00 0.09 -0.23 117.00 112.76 1xsb n LEU 75 Ca 0.01 -1.88 -0.28 0.00 -0.00 0.00 0.00 56.01 53.86 1xsb n LEU 75 Cb 0.13 0.58 -0.17 0.00 -0.00 0.00 0.00 43.42 43.97 1xsb n LEU 75 CO 0.16 -0.29 -0.43 -0.89 -0.00 0.00 0.00 177.39 175.94 1xsb s THR 76 N -2.43 1.10 -0.08 1.47 2.01 0.10 -4.76 115.64 113.05 1xsb s THR 76 Ca 0.11 -0.55 -0.27 0.00 0.31 0.00 0.00 61.69 61.30 1xsb s THR 76 Cb 0.01 -1.23 -0.03 0.00 0.01 0.00 0.00 72.50 71.26 1xsb s THR 76 CO 0.08 0.20 0.86 -0.63 -0.69 0.00 0.00 174.62 174.43 1xsb s ILE 77 N 1.65 4.91 0.19 1.82 -1.09 -1.26 -0.99 121.20 126.42 1xsb s ILE 77 Ca 0.02 1.75 -0.21 0.00 -2.23 0.00 0.00 60.65 59.98 1xsb s ILE 77 Cb -0.15 -4.18 -0.08 0.00 -1.58 0.00 0.00 42.46 36.47 1xsb s ILE 77 CO -0.08 0.13 0.72 -0.63 -1.23 0.00 0.00 174.94 173.85 1xsb s ILE 78 N 1.41 4.53 0.11 2.92 1.09 0.47 -4.99 121.20 126.74 1xsb s ILE 78 Ca 0.43 1.39 0.03 0.00 -1.10 0.00 0.00 60.65 61.40 1xsb s ILE 78 Cb -0.18 -3.94 -0.04 0.00 -1.06 0.00 0.00 42.46 37.24 1xsb s ILE 78 CO 0.19 0.34 0.18 -1.61 -0.10 0.00 0.00 174.94 173.94 1xsb s GLU 79 N -1.64 3.17 0.00 2.79 2.02 -1.26 -4.43 118.70 119.35 1xsb s GLU 79 Ca 0.39 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.74 1xsb s GLU 79 Cb -0.19 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.19 1xsb s GLU 79 CO 0.22 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.46 1xsb n GLY 80 N -0.03 2.78 3.41 -1.39 0.00 -1.26 -5.03 105.19 103.66 1xsb n GLY 80 Ca -0.07 0.00 -0.35 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 -2.65 3.01 -0.24 1.61 2.19 -1.26 -5.08 117.98 115.55 1xsb s PHE 81 Ca 0.00 -0.58 -0.21 0.00 0.33 0.00 0.00 56.93 56.47 1xsb s PHE 81 Cb 0.00 -2.08 0.07 0.00 -1.31 0.00 0.00 43.02 39.69 1xsb s PHE 81 CO 0.00 -0.32 0.64 0.21 1.83 0.00 0.00 175.22 177.58 1xsb s LYS 82 N 1.11 0.72 0.07 10.12 2.20 -1.26 -4.58 119.74 128.13 1xsb s LYS 82 Ca 0.02 0.94 -0.27 0.00 -0.36 0.00 0.00 55.97 56.30 1xsb s LYS 82 Cb -0.14 0.31 0.08 0.00 -1.51 0.00 0.00 37.83 36.57 1xsb s LYS 82 CO 0.01 -0.10 0.93 -0.98 -0.36 0.00 0.00 175.35 174.85 1xsb s ARG 83 N 0.61 1.00 -0.01 4.03 1.70 -1.25 -5.02 118.95 120.00 1xsb s ARG 83 Ca -0.02 -0.48 0.02 0.00 -0.47 0.00 0.00 55.73 54.78 1xsb s ARG 83 Cb -0.05 0.39 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 1xsb s ARG 83 CO -0.03 -0.45 -0.05 -1.83 -1.08 0.00 0.00 175.30 171.85 1xsb s GLU 84 N -3.19 0.51 -0.33 3.89 1.03 -1.24 -0.66 118.70 118.72 1xsb s GLU 84 Ca 0.09 -0.18 -0.16 0.00 0.03 0.00 0.00 54.97 54.74 1xsb s GLU 84 Cb -0.01 -0.51 -0.01 0.00 -0.80 0.00 0.00 34.13 32.80 1xsb s GLU 84 CO -0.03 0.09 0.43 -0.51 -1.33 0.00 0.00 175.26 173.91 1xsb s LEU 85 N 0.05 4.30 -0.15 1.83 1.43 0.35 -4.71 118.68 121.78 1xsb s LEU 85 Ca -0.00 -0.01 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 1xsb s LEU 85 Cb -0.04 -2.47 -0.00 0.00 0.03 0.00 0.00 46.19 43.70 1xsb s LEU 85 CO -0.00 -0.36 -0.15 0.20 0.23 0.00 0.00 176.35 176.26 1xsb s ASN 86 N 1.72 3.71 -0.03 2.29 -0.87 -1.26 -1.26 114.94 119.24 1xsb s ASN 86 Ca 0.16 -0.45 -0.29 0.00 -1.57 0.00 0.00 52.86 50.71 1xsb s ASN 86 Cb -0.16 -1.57 0.10 0.00 -0.02 0.00 0.00 41.25 39.60 1xsb s ASN 86 CO 0.12 0.10 0.82 -0.72 -2.57 0.00 0.00 177.10 174.84 1xsb s TYR 87 N 0.74 -0.46 -0.32 2.20 -0.85 -1.23 -4.91 117.35 112.53 1xsb s TYR 87 Ca -0.06 0.58 -0.10 0.00 -0.52 0.00 0.00 57.07 56.97 1xsb s TYR 87 Cb -0.15 0.48 -0.01 0.00 0.38 0.00 0.00 41.96 42.66 1xsb s TYR 87 CO 0.01 -0.55 0.18 0.54 -1.52 0.00 0.00 175.55 174.20 1xsb s VAL 88 N -2.16 4.80 0.00 -3.49 0.11 -1.26 -1.61 120.40 116.79 1xsb s VAL 88 Ca -0.02 -0.35 0.00 0.00 -2.93 0.00 0.00 61.98 58.69 1xsb s VAL 88 Cb -0.01 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.40 1xsb s VAL 88 CO -0.02 0.05 0.00 0.00 -3.33 0.00 0.00 175.10 171.81 1xsb n ALA 89 N 5.02 0.00 -0.12 1.54 0.00 -1.08 -4.67 120.51 121.20 1xsb n ALA 89 Ca -0.14 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.26 1xsb n ALA 89 Cb 0.49 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.97 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 0.12 0.00 0.00 2.43 -2.04 -3.41 114.38 111.48 1xsb h ARG 90 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1xsb h ARG 90 Cb 0.00 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 1xsb h ARG 90 CO 0.00 0.08 0.00 -1.71 -1.51 0.00 0.00 179.97 176.83 1xsb n ASN 91 N -5.17 0.00 -3.82 -3.80 5.15 -1.26 -5.13 115.26 101.22 1xsb n ASN 91 Ca 0.03 -0.34 -0.13 0.00 -0.60 0.00 0.00 54.58 53.53 1xsb n ASN 91 Cb 0.21 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.31 1xsb n ASN 91 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1xsb s LYS 92 N 0.00 -0.02 0.21 1.20 -2.85 -1.26 -5.06 119.74 111.96 1xsb s LYS 92 Ca 0.00 0.09 -0.30 0.00 -1.00 0.00 0.00 55.97 54.76 1xsb s LYS 92 Cb 0.00 -0.12 -0.08 0.00 -2.06 0.00 0.00 37.83 35.57 1xsb s LYS 92 CO 0.00 -0.08 0.94 -1.25 0.10 0.00 0.00 175.35 175.06 1xsb s PRO 93 N 0.51 4.82 -0.10 1.78 0.04 -1.26 -2.64 135.00 138.15 1xsb s PRO 93 Ca -0.04 1.47 -0.00 0.00 0.04 0.00 0.00 61.00 62.47 1xsb s PRO 93 Cb -0.06 -3.30 0.02 0.00 0.04 0.00 0.00 34.50 31.20 1xsb s PRO 93 CO -0.01 0.46 -0.07 0.21 0.04 0.00 0.00 177.00 177.63 1xsb s LYS 94 N -0.95 1.40 -0.22 4.56 2.20 -0.63 -1.74 119.74 124.36 1xsb s LYS 94 Ca 0.42 -0.21 -0.27 0.00 -0.36 0.00 0.00 55.97 55.54 1xsb s LYS 94 Cb -0.25 -1.47 0.00 0.00 -1.51 0.00 0.00 37.83 34.60 1xsb s LYS 94 CO 0.31 -0.24 0.94 0.99 -0.36 0.00 0.00 175.35 176.99 1xsb s THR 95 N 1.63 4.76 -0.19 3.43 2.01 -0.83 -3.48 115.64 122.98 1xsb s THR 95 Ca 0.03 1.82 -0.01 0.00 0.31 0.00 0.00 61.69 63.84 1xsb s THR 95 Cb -0.13 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.17 1xsb s THR 95 CO -0.07 -0.11 -0.13 -0.69 -0.69 0.00 0.00 174.62 172.93 1xsb s VAL 96 N 2.88 2.63 -0.22 3.82 1.01 -0.39 -1.22 120.40 128.91 1xsb s VAL 96 Ca 0.40 -0.75 -0.11 0.00 0.00 0.00 0.00 61.98 61.53 1xsb s VAL 96 Cb -0.15 -2.15 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 1xsb s VAL 96 CO 0.08 0.49 0.18 -0.63 0.00 0.00 0.00 175.10 175.22 1xsb s ILE 97 N 1.31 5.36 -0.13 2.22 -1.09 -1.11 0.13 121.20 127.89 1xsb s ILE 97 Ca 0.04 0.24 0.01 0.00 -2.23 0.00 0.00 60.65 58.71 1xsb s ILE 97 Cb -0.14 -3.52 -0.01 0.00 -1.58 0.00 0.00 42.46 37.22 1xsb s ILE 97 CO -0.08 0.36 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.53 1xsb s TYR 98 N 0.87 2.76 -0.01 3.97 2.02 0.17 -2.63 117.35 124.50 1xsb s TYR 98 Ca 0.09 -0.77 0.03 0.00 -0.37 0.00 0.00 57.07 56.05 1xsb s TYR 98 Cb -0.13 -1.82 -0.03 0.00 -0.40 0.00 0.00 41.96 39.58 1xsb s TYR 98 CO 0.03 -0.28 -0.06 -1.58 -1.57 0.00 0.00 175.55 172.09 1xsb s TRP 99 N 0.40 2.91 0.16 2.71 0.51 -1.26 -3.87 118.94 120.50 1xsb s TRP 99 Ca -0.12 -0.02 -0.30 0.00 -2.12 0.00 0.00 56.10 53.54 1xsb s TRP 99 Cb -0.16 -1.63 -0.07 0.00 -0.81 0.00 0.00 33.47 30.80 1xsb s TRP 99 CO 0.06 0.37 1.05 -0.51 -0.51 0.00 0.00 176.95 177.41 1xsb s LEU 100 N -1.33 4.50 0.07 2.99 1.43 -1.26 -1.85 118.68 123.23 1xsb s LEU 100 Ca 0.16 1.99 0.04 0.00 -1.03 0.00 0.00 54.13 55.30 1xsb s LEU 100 Cb -0.11 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1xsb s LEU 100 CO 0.07 -0.14 -0.13 0.00 0.23 0.00 0.00 176.35 176.38 1xsb s ALA 101 N -0.24 1.06 -0.18 4.21 0.00 0.16 -0.40 121.76 126.37 1xsb s ALA 101 Ca 0.48 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1xsb s ALA 101 Cb -0.27 -0.06 0.04 0.00 0.00 0.00 0.00 23.12 22.82 1xsb s ALA 101 CO 0.33 0.12 -0.10 -2.00 0.00 0.00 0.00 175.76 174.11 1xsb s GLU 102 N -1.79 1.92 0.15 0.00 2.12 -0.17 0.34 118.70 121.27 1xsb s GLU 102 Ca -0.03 -0.69 -0.30 0.00 0.36 0.00 0.00 54.97 54.31 1xsb s GLU 102 Cb -0.09 -2.23 -0.07 0.00 0.26 0.00 0.00 34.13 31.99 1xsb s GLU 102 CO 0.02 -0.39 1.24 0.14 -0.54 0.00 0.00 175.26 175.72 1xsb s VAL 103 N 1.48 3.61 0.17 3.70 -7.23 -1.26 0.01 120.40 120.88 1xsb s VAL 103 Ca 0.01 1.27 -0.14 0.00 -1.81 0.00 0.00 61.98 61.31 1xsb s VAL 103 Cb -0.15 -3.81 0.06 0.00 0.56 0.00 0.00 36.38 33.04 1xsb s VAL 103 CO -0.09 0.16 1.77 0.11 -0.31 0.00 0.00 175.10 176.75 1xsb h LYS 104 N 5.86 0.41 -5.77 4.82 1.57 -0.93 -3.42 116.57 119.11 1xsb h LYS 104 Ca -0.43 -0.02 -0.63 0.00 -1.87 0.00 0.00 60.65 57.69 1xsb h LYS 104 Cb 1.21 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 33.36 1xsb h LYS 104 CO 0.78 0.27 -0.33 0.34 -0.57 0.00 0.00 179.45 179.94 1xsb s ASP 105 N -5.45 6.58 0.18 0.86 2.15 -1.26 -4.97 116.67 114.77 1xsb s ASP 105 Ca -0.13 0.69 -0.09 0.00 0.43 0.00 0.00 52.55 53.45 1xsb s ASP 105 Cb 0.13 -2.17 0.07 0.00 -0.30 0.00 0.00 42.92 40.65 1xsb s ASP 105 CO 0.73 0.31 1.65 0.22 -0.17 0.00 0.00 175.17 177.91 1xsb h TYR 106 N 5.22 1.15 -0.48 -5.34 3.20 -1.96 -1.65 116.97 117.10 1xsb h TYR 106 Ca -0.51 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.18 1xsb h TYR 106 Cb 1.21 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.18 1xsb h TYR 106 CO 0.70 1.00 0.00 -0.25 -1.64 0.00 0.00 178.16 177.98 1xsb n ASP 107 N -4.21 4.63 -3.80 -2.11 8.00 -1.26 -4.99 116.55 112.81 1xsb n ASP 107 Ca 0.03 -2.65 -0.36 0.00 0.71 0.00 0.00 54.79 52.51 1xsb n ASP 107 Cb 0.33 -0.62 0.00 0.00 -0.02 0.00 0.00 41.12 40.81 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 0.61 0.39 -2.02 2.53 3.14 -0.62 -4.78 118.33 117.58 1xsb n VAL 108 Ca 0.22 -0.44 -0.37 0.00 -2.96 0.00 0.00 64.34 60.78 1xsb n VAL 108 Cb 0.95 0.00 0.02 0.00 -1.06 0.00 0.00 33.84 33.75 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 -0.89 3.33 -0.23 1.45 -1.05 -1.26 -5.01 118.70 115.04 1xsb s GLU 109 Ca 0.52 1.96 0.02 0.00 -0.15 0.00 0.00 54.97 57.32 1xsb s GLU 109 Cb -0.53 -2.23 0.05 0.00 -0.44 0.00 0.00 34.13 30.98 1xsb s GLU 109 CO 0.57 -0.96 -0.11 0.42 0.95 0.00 0.00 175.26 176.13 1xsb s ILE 110 N -1.46 1.92 -0.26 1.83 -1.09 -1.25 -4.43 121.20 116.45 1xsb s ILE 110 Ca 0.70 -1.34 -0.05 0.00 -2.23 0.00 0.00 60.65 57.73 1xsb s ILE 110 Cb -0.34 -2.02 0.00 0.00 -1.58 0.00 0.00 42.46 38.53 1xsb s ILE 110 CO 0.39 0.06 0.02 -0.13 -1.23 0.00 0.00 174.94 174.05 1xsb s ARG 111 N 1.24 3.17 -0.14 2.79 0.52 1.36 -4.87 118.95 123.01 1xsb s ARG 111 Ca -0.05 -0.78 -0.07 0.00 -0.52 0.00 0.00 55.73 54.30 1xsb s ARG 111 Cb -0.18 -3.20 -0.04 0.00 0.52 0.00 0.00 34.95 32.05 1xsb s ARG 111 CO -0.07 -0.35 0.12 -0.51 0.02 0.00 0.00 175.30 174.52 1xsb s LEU 112 N 1.47 4.23 0.74 2.53 1.43 -1.26 0.08 118.68 127.91 1xsb s LEU 112 Ca 0.03 0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 53.39 1xsb s LEU 112 Cb -0.16 -2.05 0.07 0.00 0.03 0.00 0.00 46.19 44.08 1xsb s LEU 112 CO -0.00 0.32 1.08 -0.94 0.23 0.00 0.00 176.35 177.04 1xsb s SER 113 N -0.51 4.72 0.47 2.29 1.04 -1.25 -4.83 113.70 115.62 1xsb s SER 113 Ca 0.12 0.61 0.26 0.00 0.48 0.00 0.00 55.95 57.42 1xsb s SER 113 Cb -0.12 -1.20 1.30 0.00 0.10 0.00 0.00 66.02 66.10 1xsb s SER 113 CO 0.02 -1.71 1.80 -0.74 0.98 0.00 0.00 173.24 173.60 1xsb h HIS 114 N -0.78 0.35 -0.42 5.02 2.76 -1.99 0.58 115.15 120.67 1xsb h HIS 114 Ca -0.45 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 57.74 1xsb h HIS 114 Cb 1.32 -0.10 -0.02 0.00 1.55 0.00 0.00 27.41 30.16 1xsb h HIS 114 CO 0.33 0.04 0.28 1.49 -1.30 0.00 0.00 177.93 178.76 1xsb h GLU 115 N 0.21 0.54 -6.11 5.26 4.81 -1.96 -3.39 114.58 113.94 1xsb h GLU 115 Ca 0.55 -0.03 -0.68 0.00 -0.13 0.00 0.00 59.36 59.07 1xsb h GLU 115 Cb 1.76 -0.12 -0.25 0.00 0.63 0.00 0.00 28.75 30.77 1xsb h GLU 115 CO -0.16 0.36 -0.78 -1.01 -0.73 0.00 0.00 179.01 176.69 1xsb s HIS 116 N -5.49 2.69 -0.10 0.92 3.76 0.20 0.30 115.29 117.57 1xsb s HIS 116 Ca -0.08 -0.31 0.07 0.00 -0.15 0.00 0.00 55.06 54.59 1xsb s HIS 116 Cb 0.17 -1.66 -0.10 0.00 1.11 0.00 0.00 32.58 32.10 1xsb s HIS 116 CO 0.73 0.07 0.19 0.00 -0.85 0.00 0.00 174.74 174.88 1xsb n GLN 117 N 2.61 1.49 -3.61 1.40 10.64 -0.66 -4.03 117.38 125.21 1xsb n GLN 117 Ca -0.17 -0.05 -0.13 0.00 -1.83 0.00 0.00 57.00 54.82 1xsb n GLN 117 Cb 0.52 -1.07 -0.06 0.00 -0.86 0.00 0.00 30.24 28.78 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 -2.24 -1.16 0.05 2.61 0.00 -1.25 -5.00 121.76 114.76 1xsb s ALA 118 Ca -0.01 0.41 -0.01 0.00 0.00 0.00 0.00 51.96 52.35 1xsb s ALA 118 Cb 0.05 0.42 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 1xsb s ALA 118 CO 0.29 -0.51 -0.03 1.52 0.00 0.00 0.00 175.76 177.02 1xsb s TYR 119 N -2.65 0.52 0.02 0.00 1.13 -1.26 0.17 117.35 115.29 1xsb s TYR 119 Ca -0.04 -0.98 0.00 0.00 -1.41 0.00 0.00 57.07 54.64 1xsb s TYR 119 Cb -0.00 -0.38 -0.02 0.00 -1.10 0.00 0.00 41.96 40.46 1xsb s TYR 119 CO -0.03 -0.33 -0.03 1.03 -2.51 0.00 0.00 175.55 173.68 1xsb s ARG 120 N -3.57 0.30 -0.38 -3.49 0.52 -0.65 -4.98 118.95 106.69 1xsb s ARG 120 Ca 0.04 -0.59 -0.09 0.00 -0.52 0.00 0.00 55.73 54.58 1xsb s ARG 120 Cb 0.05 0.10 0.05 0.00 0.52 0.00 0.00 34.95 35.68 1xsb s ARG 120 CO -0.08 -0.05 0.20 -1.58 0.02 0.00 0.00 175.30 173.81 1xsb s TRP 121 N -1.40 3.29 0.34 -0.53 0.52 -1.26 -2.85 118.94 117.04 1xsb s TRP 121 Ca -0.15 -1.35 0.03 0.00 0.02 0.00 0.00 56.10 54.65 1xsb s TRP 121 Cb -0.10 -2.62 -0.05 0.00 -1.15 0.00 0.00 33.47 29.55 1xsb s TRP 121 CO -0.01 -0.76 0.08 -0.51 0.02 0.00 0.00 176.95 175.77 1xsb s LEU 122 N 1.45 2.04 0.00 2.99 1.02 -1.24 -4.94 118.68 120.00 1xsb s LEU 122 Ca 0.01 -1.46 -0.07 0.00 0.02 0.00 0.00 54.13 52.63 1xsb s LEU 122 Cb -0.21 -0.25 0.12 0.00 0.02 0.00 0.00 46.19 45.87 1xsb s LEU 122 CO 0.04 -0.71 0.74 0.61 0.02 0.00 0.00 176.35 177.04 1xsb n GLY 123 N -0.72 -0.86 0.37 -3.19 0.00 -1.26 -1.68 105.19 97.85 1xsb n GLY 123 Ca -0.03 -1.77 -0.02 0.00 0.00 0.00 0.00 46.02 44.20 1xsb n GLY 123 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xsb h LEU 124 N 0.00 1.09 0.45 0.99 5.85 -1.96 0.40 115.31 122.13 1xsb h LEU 124 Ca -0.24 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.41 1xsb h LEU 124 Cb 0.71 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1xsb h LEU 124 CO 0.19 0.82 -0.27 1.05 -0.34 0.00 0.00 178.44 179.89 1xsb h GLU 125 N 1.26 -0.66 -0.16 1.25 4.11 -1.95 0.56 114.58 118.99 1xsb h GLU 125 Ca 0.33 0.04 -0.07 0.00 0.07 0.00 0.00 59.36 59.73 1xsb h GLU 125 Cb -0.08 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1xsb h GLU 125 CO -0.07 -0.44 -0.19 0.93 0.07 0.00 0.00 179.01 179.32 1xsb h GLU 126 N -0.68 0.41 -0.84 1.06 3.07 -1.89 0.50 114.58 116.21 1xsb h GLU 126 Ca -0.05 -0.23 0.17 0.00 -0.50 0.00 0.00 59.36 58.75 1xsb h GLU 126 Cb 0.56 0.01 -0.06 0.00 -0.84 0.00 0.00 28.75 28.42 1xsb h GLU 126 CO 0.06 0.80 0.55 0.00 -1.40 0.00 0.00 179.01 179.02 1xsb h ALA 127 N 0.61 2.08 0.05 3.43 0.00 -0.12 0.57 119.26 125.88 1xsb h ALA 127 Ca 0.02 0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.68 1xsb h ALA 127 Cb 0.74 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1xsb h ALA 127 CO 0.05 -0.32 -1.08 0.00 0.00 0.00 0.00 179.25 177.89 1xsb h GLN 129 N 0.27 0.04 -0.36 0.00 -0.00 0.43 -3.04 115.11 112.44 1xsb h GLN 129 Ca -0.13 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.65 58.46 1xsb h GLN 129 Cb 1.74 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 29.20 1xsb h GLN 129 CO 0.20 0.26 0.02 -0.07 -0.00 0.00 0.00 178.83 179.24 1xsb h LEU 130 N -0.19 0.61 -4.20 0.06 3.38 -0.20 -2.77 115.31 112.00 1xsb h LEU 130 Ca 0.01 -0.29 -0.24 0.00 0.09 0.00 0.00 57.88 57.45 1xsb h LEU 130 Cb 0.24 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1xsb h LEU 130 CO 0.00 0.75 0.23 0.00 0.09 0.00 0.00 178.44 179.51 1xsb n ALA 131 N -2.38 6.19 -0.39 1.53 0.00 -0.41 -4.28 120.51 120.78 1xsb n ALA 131 Ca -0.01 -1.93 0.34 0.00 0.00 0.00 0.00 53.44 51.83 1xsb n ALA 131 Cb 0.26 -2.46 0.58 0.00 0.00 0.00 0.00 19.45 17.83 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 2.69 -0.04 -1.68 0.00 10.64 -1.05 -3.66 117.38 124.28 1xsb n GLN 132 Ca 0.45 1.12 -0.50 0.00 -1.83 0.00 0.00 57.00 56.24 1xsb n GLN 132 Cb 0.77 -2.17 -0.05 0.00 -0.86 0.00 0.00 30.24 27.92 1xsb n GLN 132 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1xsb n PHE 133 N -4.57 2.25 -0.17 2.61 3.72 -1.26 -4.80 117.46 115.24 1xsb n PHE 133 Ca 0.35 0.11 0.14 0.00 -0.05 0.00 0.00 57.45 58.01 1xsb n PHE 133 Cb 1.33 -2.62 0.48 0.00 -0.94 0.00 0.00 39.48 37.73 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 9.01 0.45 -0.86 -1.08 3.64 -1.96 -0.46 116.57 125.31 1xsb h LYS 134 Ca -0.47 -0.03 0.10 0.00 -1.27 0.00 0.00 60.65 58.98 1xsb h LYS 134 Cb 1.28 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.93 1xsb h LYS 134 CO 0.96 0.30 0.51 0.93 -2.27 0.00 0.00 179.45 179.87 1xsb h GLU 135 N 0.47 0.81 0.13 1.90 5.08 -1.89 0.55 114.58 121.63 1xsb h GLU 135 Ca 0.37 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.51 1xsb h GLU 135 Cb 0.79 -0.18 0.02 0.00 0.50 0.00 0.00 28.75 29.88 1xsb h GLU 135 CO -0.13 0.54 -0.76 0.52 -1.00 0.00 0.00 179.01 178.18 1xsb h MET 136 N 0.84 0.29 -0.60 2.33 2.86 -1.39 0.54 114.93 119.79 1xsb h MET 136 Ca 0.42 -0.48 0.15 0.00 -2.06 0.00 0.00 59.70 57.73 1xsb h MET 136 Cb 0.39 0.18 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1xsb h MET 136 CO -0.25 1.23 0.42 0.87 1.06 0.00 0.00 176.91 180.23 1xsb h LYS 137 N -0.40 0.14 0.00 1.72 1.57 -0.75 0.90 116.57 119.76 1xsb h LYS 137 Ca -0.13 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1xsb h LYS 137 Cb 1.60 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.87 1xsb h LYS 137 CO 0.14 0.10 -0.00 0.00 -0.57 0.00 0.00 179.45 179.12 1xsb h ALA 138 N 1.71 -0.00 -0.05 3.86 0.00 0.18 -0.49 119.26 124.47 1xsb h ALA 138 Ca 0.29 -0.46 0.03 0.00 0.00 0.00 0.00 54.91 54.77 1xsb h ALA 138 Cb 0.93 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1xsb h ALA 138 CO -0.04 -0.02 -0.19 0.00 0.00 0.00 0.00 179.25 179.00 1xsb h ALA 139 N 0.01 -0.20 -0.06 0.00 0.00 0.17 2.60 119.26 121.78 1xsb h ALA 139 Ca -0.00 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1xsb h ALA 139 Cb 0.92 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1xsb h ALA 139 CO 0.00 -0.67 -0.04 -0.07 0.00 0.00 0.00 179.25 178.48 1xsb h LEU 140 N -0.28 0.07 0.04 0.00 3.38 0.64 0.95 115.31 120.11 1xsb h LEU 140 Ca 0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1xsb h LEU 140 Cb 0.38 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1xsb h LEU 140 CO -0.21 0.13 -0.02 1.56 0.09 0.00 0.00 178.44 179.99 1xsb h GLN 141 N 0.08 -0.05 -0.44 1.13 1.08 0.14 -2.72 115.11 114.33 1xsb h GLN 141 Ca 0.02 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.14 1xsb h GLN 141 Cb 0.12 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1xsb h GLN 141 CO 0.01 0.62 -0.07 0.93 -0.95 0.00 0.00 178.83 179.36 1xsb h GLU 142 N -0.83 0.76 0.07 1.46 5.08 0.45 0.03 114.58 121.61 1xsb h GLU 142 Ca -0.01 -0.23 0.01 0.00 -1.00 0.00 0.00 59.36 58.13 1xsb h GLU 142 Cb 0.69 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1xsb h GLU 142 CO 0.01 0.82 -0.09 0.78 -1.00 0.00 0.00 179.01 179.53 1xsb h GLY 143 N 0.97 -0.17 0.98 -3.84 0.00 -0.90 0.13 103.07 100.25 1xsb h GLY 143 Ca 0.13 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.55 1xsb h GLY 143 CO 0.03 -0.10 0.28 0.84 0.00 0.00 0.00 176.54 177.59 1xsb h HIS 144 N -0.19 0.70 -0.57 5.60 -0.00 -1.26 -0.93 115.15 118.50 1xsb h HIS 144 Ca 0.01 -0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.45 1xsb h HIS 144 Cb 0.20 -0.22 -0.07 0.00 -0.00 0.00 0.00 27.41 27.32 1xsb h HIS 144 CO -0.12 0.52 0.21 0.37 -0.00 0.00 0.00 177.93 178.91 1xsb h GLN 145 N 0.68 0.38 0.01 5.26 5.75 -0.47 -1.59 115.11 125.13 1xsb h GLN 145 Ca 0.18 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1xsb h GLN 145 Cb 0.05 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.52 1xsb h GLN 145 CO -0.03 0.25 -0.01 0.35 -2.65 0.00 0.00 178.83 176.74 1xsb h PHE 146 N 0.39 -0.02 -0.83 3.99 3.04 -0.65 -3.07 116.94 119.78 1xsb h PHE 146 Ca 0.28 -0.00 0.23 0.00 3.98 0.00 0.00 57.97 62.46 1xsb h PHE 146 Cb 0.34 0.01 -0.04 0.00 2.56 0.00 0.00 35.95 38.81 1xsb h PHE 146 CO -0.17 0.52 0.59 -0.07 -2.02 0.00 0.00 178.31 177.16 1xsb h LEU 147 N -0.56 0.09 -0.22 0.59 3.38 -0.93 1.76 115.31 119.40 1xsb h LEU 147 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1xsb h LEU 147 Cb 0.55 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1xsb h LEU 147 CO 0.00 0.03 0.00 0.00 0.09 0.00 0.00 178.44 178.57 1xsb n SER 149 N -2.11 1.23 0.00 0.00 7.64 0.60 -3.83 113.62 117.15 1xsb n SER 149 Ca 0.04 -1.15 0.00 0.00 1.01 0.00 0.00 58.87 58.77 1xsb n SER 149 Cb 0.34 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 1xsb n SER 149 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xsb n ILE 150 N -0.29 0.00 1.08 0.44 5.41 -1.10 -4.92 119.36 119.98 1xsb n ILE 150 Ca 0.15 0.00 0.12 0.00 1.00 0.00 0.00 62.75 64.02 1xsb n ILE 150 Cb 0.35 0.00 0.17 0.00 -0.71 0.00 0.00 39.64 39.45 1xsb n ILE 150 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xsb n GLU 151 N 0.00 0.55 0.32 0.38 1.02 -1.26 -4.00 120.64 117.64 1xsb n GLU 151 Ca 0.00 -0.39 0.20 0.00 -0.02 0.00 0.00 57.16 56.95 1xsb n GLU 151 Cb 0.00 -1.49 1.04 0.00 -0.02 0.00 0.00 31.44 30.97 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xsb h ALA 152 N 3.43 1.10 0.00 0.62 0.00 -1.84 -3.52 119.26 119.05 1xsb h ALA 152 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xsb h ALA 152 Cb 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xsb h ALA 152 CO 0.00 0.02 0.00 -0.11 0.00 0.00 0.00 179.25 179.16