#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsb n PRO 2 N 0.00 -0.54 -3.06 1.61 -0.04 -1.26 -5.01 135.00 126.70 1xsb n PRO 2 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1xsb n PRO 2 Cb 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.40 1xsb n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xsb s LEU 3 N 0.00 4.26 0.00 1.53 1.43 -1.26 -4.12 118.68 120.52 1xsb s LEU 3 Ca 0.00 1.45 0.00 0.00 -1.03 0.00 0.00 54.13 54.55 1xsb s LEU 3 Cb 0.00 -3.80 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1xsb s LEU 3 CO 0.00 -0.06 0.00 0.61 0.23 0.00 0.00 176.35 177.13 1xsb n GLY 4 N 0.38 0.93 3.77 -3.19 0.00 -1.26 -4.99 105.19 100.82 1xsb n GLY 4 Ca 0.00 -0.67 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 1xsb n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xsb s SER 5 N -3.00 5.98 -0.06 1.61 0.15 -1.26 -4.97 113.70 112.15 1xsb s SER 5 Ca 0.00 2.92 -0.14 0.00 0.70 0.00 0.00 55.95 59.42 1xsb s SER 5 Cb 0.00 -2.65 -0.05 0.00 -1.71 0.00 0.00 66.02 61.60 1xsb s SER 5 CO 0.00 -1.11 0.37 -0.32 1.20 0.00 0.00 173.24 173.38 1xsb s MET 6 N -2.38 4.01 0.02 5.44 1.75 -1.26 -4.93 119.30 121.94 1xsb s MET 6 Ca 0.59 0.30 0.00 0.00 -1.25 0.00 0.00 55.69 55.34 1xsb s MET 6 Cb -0.44 -3.29 0.00 0.00 2.84 0.00 0.00 34.83 33.94 1xsb s MET 6 CO 0.57 0.52 0.00 0.00 -0.65 0.00 0.00 175.02 175.46 1xsb n ALA 7 N 2.49 -0.10 -2.83 4.11 0.00 -1.26 -4.93 120.51 118.00 1xsb n ALA 7 Ca -0.13 0.02 -0.36 0.00 0.00 0.00 0.00 53.44 52.97 1xsb n ALA 7 Cb 0.52 -0.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 1xsb n ALA 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xsb s LEU 8 N -4.32 4.39 0.07 0.00 1.02 0.75 -4.93 118.68 115.65 1xsb s LEU 8 Ca 0.00 0.51 -0.25 0.00 0.02 0.00 0.00 54.13 54.42 1xsb s LEU 8 Cb 0.00 -2.29 -0.06 0.00 0.02 0.00 0.00 46.19 43.86 1xsb s LEU 8 CO 0.00 0.36 0.75 -0.60 0.02 0.00 0.00 176.35 176.88 1xsb s ARG 9 N -1.28 4.49 0.02 1.70 3.52 -1.26 -0.90 118.95 125.23 1xsb s ARG 9 Ca 0.20 1.05 -0.08 0.00 -0.13 0.00 0.00 55.73 56.77 1xsb s ARG 9 Cb -0.13 -3.33 0.00 0.00 -1.56 0.00 0.00 34.95 29.93 1xsb s ARG 9 CO 0.09 0.37 0.15 0.00 -0.81 0.00 0.00 175.30 175.10 1xsb s ALA 10 N -0.35 -0.31 -0.08 6.12 0.00 0.31 -3.55 121.76 123.90 1xsb s ALA 10 Ca 0.37 -0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.08 1xsb s ALA 10 Cb -0.21 0.17 0.05 0.00 0.00 0.00 0.00 23.12 23.13 1xsb s ALA 10 CO 0.23 -0.26 0.17 0.00 0.00 0.00 0.00 175.76 175.89 1xsb s GLY 12 N 1.89 2.88 -0.16 0.00 0.00 -0.99 -3.62 107.32 107.31 1xsb s GLY 12 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1xsb s GLY 12 CO -0.06 -2.07 -0.12 1.08 0.00 0.00 0.00 173.10 171.93 1xsb s LEU 13 N -3.78 1.83 -0.50 0.66 1.43 -1.14 -3.85 118.68 113.32 1xsb s LEU 13 Ca 0.13 -0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 52.37 1xsb s LEU 13 Cb 0.02 -1.16 0.03 0.00 0.03 0.00 0.00 46.19 45.12 1xsb s LEU 13 CO 0.07 -0.09 0.93 -0.63 0.23 0.00 0.00 176.35 176.86 1xsb s ILE 14 N 1.48 4.43 -0.07 -0.59 1.01 -0.58 -4.42 121.20 122.47 1xsb s ILE 14 Ca 0.03 0.52 -0.12 0.00 0.00 0.00 0.00 60.65 61.08 1xsb s ILE 14 Cb -0.14 -4.48 -0.05 0.00 0.01 0.00 0.00 42.46 37.80 1xsb s ILE 14 CO -0.10 -0.97 0.30 -0.63 0.00 0.00 0.00 174.94 173.55 1xsb s ILE 15 N 3.85 5.24 -0.04 2.92 1.01 -1.26 0.48 121.20 133.39 1xsb s ILE 15 Ca 0.34 0.58 -0.01 0.00 0.00 0.00 0.00 60.65 61.56 1xsb s ILE 15 Cb -0.11 -3.60 0.03 0.00 0.01 0.00 0.00 42.46 38.79 1xsb s ILE 15 CO 0.23 0.56 0.04 0.72 0.00 0.00 0.00 174.94 176.49 1xsb s PHE 16 N -0.79 0.14 -0.23 3.97 -0.71 1.03 -1.94 117.98 119.45 1xsb s PHE 16 Ca 0.20 0.17 -0.24 0.00 -1.04 0.00 0.00 56.93 56.02 1xsb s PHE 16 Cb -0.14 -0.46 -0.01 0.00 -1.21 0.00 0.00 43.02 41.19 1xsb s PHE 16 CO 0.09 -0.18 0.79 -0.98 -1.34 0.00 0.00 175.22 173.59 1xsb s ARG 17 N 1.86 4.19 0.01 1.99 1.70 0.25 -3.88 118.95 125.07 1xsb s ARG 17 Ca 0.01 0.87 -0.17 0.00 -0.47 0.00 0.00 55.73 55.97 1xsb s ARG 17 Cb -0.12 -3.63 -0.06 0.00 -0.57 0.00 0.00 34.95 30.57 1xsb s ARG 17 CO -0.03 -0.45 0.49 0.50 -1.08 0.00 0.00 175.30 174.73 1xsb s ARG 18 N 2.61 4.12 0.58 3.89 3.52 -1.26 -3.16 118.95 129.25 1xsb s ARG 18 Ca 0.34 0.57 -0.09 0.00 -0.13 0.00 0.00 55.73 56.41 1xsb s ARG 18 Cb -0.16 -3.27 -0.03 0.00 -1.56 0.00 0.00 34.95 29.93 1xsb s ARG 18 CO 0.08 0.56 0.95 0.00 -0.81 0.00 0.00 175.30 176.08 1xsb h LEU 20 N -0.15 0.82 -7.56 0.00 3.38 -1.97 -3.43 115.31 106.39 1xsb h LEU 20 Ca -0.45 0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.45 1xsb h LEU 20 Cb 1.20 -0.13 -0.19 0.00 0.09 0.00 0.00 40.66 41.63 1xsb h LEU 20 CO 0.62 0.48 -0.29 0.27 0.09 0.00 0.00 178.44 179.61 1xsb s ILE 21 N -6.02 0.07 0.72 1.22 -0.00 -1.26 -5.15 121.20 110.78 1xsb s ILE 21 Ca -0.12 -0.60 -0.16 0.00 -0.00 0.00 0.00 60.65 59.77 1xsb s ILE 21 Cb 0.20 -0.75 0.03 0.00 -0.00 0.00 0.00 42.46 41.94 1xsb s ILE 21 CO 0.79 -0.33 1.25 -2.84 -0.00 0.00 0.00 174.94 173.81 1xsb s PRO 22 N -1.89 2.17 0.00 0.37 0.02 -1.26 -4.99 135.00 129.42 1xsb s PRO 22 Ca -0.10 1.90 0.00 0.00 0.02 0.00 0.00 61.00 62.82 1xsb s PRO 22 Cb -0.03 -1.82 0.00 0.00 0.02 0.00 0.00 34.50 32.67 1xsb s PRO 22 CO 0.01 -1.84 0.00 1.17 -0.33 0.00 0.00 177.00 176.00 1xsb n LYS 23 N -2.53 0.00 -0.04 5.54 3.00 -1.26 -4.88 118.16 118.00 1xsb n LYS 23 Ca 0.15 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.58 1xsb n LYS 23 Cb 0.49 0.00 0.39 0.00 0.00 0.00 0.00 35.03 35.92 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1xsb n VAL 24 N -0.73 0.10 -3.62 3.15 0.31 -1.26 -4.92 118.33 111.36 1xsb n VAL 24 Ca 0.00 -0.36 -0.24 0.00 -0.01 0.00 0.00 64.34 63.74 1xsb n VAL 24 Cb 0.00 0.64 0.07 0.00 -0.91 0.00 0.00 33.84 33.64 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 0.49 -5.09 0.13 4.52 8.00 -1.26 -4.76 116.55 118.58 1xsb n ASP 25 Ca 0.17 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 55.07 1xsb n ASP 25 Cb 0.40 -4.83 0.00 0.00 -0.02 0.00 0.00 41.12 36.68 1xsb n ASP 25 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1xsb n ASN 26 N -3.01 -1.94 -0.51 -2.24 5.15 -1.26 -4.88 115.26 106.57 1xsb n ASN 26 Ca -0.06 0.49 0.07 0.00 -0.60 0.00 0.00 54.58 54.48 1xsb n ASN 26 Cb 0.58 1.98 0.25 0.00 -0.53 0.00 0.00 39.78 42.06 1xsb n ASN 26 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1xsb n ASN 27 N -3.08 1.49 -0.07 1.20 6.94 -1.26 -4.05 115.26 116.43 1xsb n ASN 27 Ca 0.00 -1.86 0.03 0.00 -0.02 0.00 0.00 54.58 52.74 1xsb n ASN 27 Cb 0.00 -0.15 0.38 0.00 -2.36 0.00 0.00 39.78 37.65 1xsb n ASN 27 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xsb h ALA 28 N 3.72 1.65 -3.89 -2.53 0.00 -1.93 -3.41 119.26 112.87 1xsb h ALA 28 Ca 0.00 -0.03 -0.69 0.00 0.00 0.00 0.00 54.91 54.19 1xsb h ALA 28 Cb 0.40 -0.20 -0.30 0.00 0.00 0.00 0.00 17.79 17.69 1xsb h ALA 28 CO 0.00 0.32 -0.85 0.42 0.00 0.00 0.00 179.25 179.14 1xsb s ILE 29 N -5.59 2.34 0.19 0.00 1.01 -1.26 -3.34 121.20 114.54 1xsb s ILE 29 Ca -0.09 -0.96 0.09 0.00 0.00 0.00 0.00 60.65 59.69 1xsb s ILE 29 Cb 0.18 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.72 1xsb s ILE 29 CO 0.75 0.57 -0.18 -1.61 0.00 0.00 0.00 174.94 174.46 1xsb s GLU 30 N -0.15 1.35 0.20 2.79 2.02 -1.19 -3.75 118.70 119.97 1xsb s GLU 30 Ca -0.03 -1.50 0.11 0.00 0.02 0.00 0.00 54.97 53.56 1xsb s GLU 30 Cb -0.14 -1.37 -0.04 0.00 0.10 0.00 0.00 34.13 32.68 1xsb s GLU 30 CO 0.04 0.27 -0.18 -0.06 0.02 0.00 0.00 175.26 175.34 1xsb s PHE 31 N -2.30 2.43 -0.10 1.61 0.08 -0.68 -0.58 117.98 118.43 1xsb s PHE 31 Ca 0.19 -0.31 -0.26 0.00 0.12 0.00 0.00 56.93 56.68 1xsb s PHE 31 Cb -0.05 -1.18 -0.02 0.00 -0.57 0.00 0.00 43.02 41.20 1xsb s PHE 31 CO 0.08 0.52 0.84 -1.17 -0.10 0.00 0.00 175.22 175.39 1xsb s LEU 32 N -2.80 4.27 -0.06 -0.37 2.96 -0.82 -3.75 118.68 118.12 1xsb s LEU 32 Ca 0.23 1.32 0.03 0.00 -0.22 0.00 0.00 54.13 55.49 1xsb s LEU 32 Cb -0.08 -3.29 0.00 0.00 0.50 0.00 0.00 46.19 43.32 1xsb s LEU 32 CO 0.12 -0.29 -0.16 -0.76 -1.32 0.00 0.00 176.35 173.94 1xsb s LEU 33 N 1.48 1.84 -0.07 -0.68 1.43 -1.14 -4.63 118.68 116.92 1xsb s LEU 33 Ca 0.42 -0.36 -0.02 0.00 -1.03 0.00 0.00 54.13 53.14 1xsb s LEU 33 Cb -0.18 -0.98 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 1xsb s LEU 33 CO 0.18 0.11 0.04 -0.76 0.23 0.00 0.00 176.35 176.15 1xsb s LEU 34 N 0.31 3.77 -0.17 1.79 1.43 -0.95 -1.70 118.68 123.16 1xsb s LEU 34 Ca -0.10 0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 53.03 1xsb s LEU 34 Cb -0.14 -1.96 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1xsb s LEU 34 CO 0.04 0.36 0.38 -1.58 0.23 0.00 0.00 176.35 175.78 1xsb s GLN 35 N -1.12 4.23 0.53 1.70 0.74 1.13 -2.12 119.66 124.76 1xsb s GLN 35 Ca 0.16 0.22 -0.22 0.00 0.05 0.00 0.00 55.36 55.56 1xsb s GLN 35 Cb -0.12 -3.48 -0.06 0.00 1.10 0.00 0.00 33.01 30.45 1xsb s GLN 35 CO 0.05 0.08 1.38 0.00 -0.55 0.00 0.00 175.29 176.26 1xsb n ALA 36 N 4.06 1.72 1.76 1.58 0.00 -1.13 -0.89 120.51 127.61 1xsb n ALA 36 Ca -0.09 0.15 0.15 0.00 0.00 0.00 0.00 53.44 53.66 1xsb n ALA 36 Cb 0.51 -2.37 0.85 0.00 0.00 0.00 0.00 19.45 18.45 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 -0.85 0.08 -2.36 0.00 3.41 0.09 -4.49 113.62 109.51 1xsb n SER 37 Ca 0.09 -0.72 -0.08 0.00 -0.26 0.00 0.00 58.87 57.90 1xsb n SER 37 Cb 0.44 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.30 1xsb n SER 37 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1xsb n ASP 38 N -1.05 -1.37 0.00 4.04 5.68 -1.26 -4.98 116.55 117.60 1xsb n ASP 38 Ca 0.20 -2.25 0.00 0.00 -0.50 0.00 0.00 54.79 52.24 1xsb n ASP 38 Cb 0.17 2.37 0.00 0.00 -1.14 0.00 0.00 41.12 42.52 1xsb n ASP 38 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xsb n GLY 39 N -0.40 -1.28 0.00 6.12 0.00 -1.26 -3.22 105.19 105.15 1xsb n GLY 39 Ca -0.03 -1.27 0.04 0.00 0.00 0.00 0.00 46.02 44.76 1xsb n GLY 39 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1xsb n ILE 40 N 0.00 0.00 -2.81 -0.61 -5.35 -1.26 -4.78 119.36 104.55 1xsb n ILE 40 Ca 0.00 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.32 1xsb n ILE 40 Cb 0.00 -0.48 0.03 0.00 -1.74 0.00 0.00 39.64 37.45 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 -0.75 -1.40 -1.26 4.28 8.25 -1.20 -4.97 115.22 118.17 1xsb n HIS 41 Ca 0.07 0.38 -0.32 0.00 -0.26 0.00 0.00 57.72 57.59 1xsb n HIS 41 Cb 0.03 -3.47 0.10 0.00 1.12 0.00 0.00 29.99 27.77 1xsb n HIS 41 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1xsb s HIS 42 N -2.99 2.27 -0.17 4.41 -3.43 -1.26 -4.54 115.29 109.57 1xsb s HIS 42 Ca 0.22 1.62 -0.07 0.00 -0.80 0.00 0.00 55.06 56.03 1xsb s HIS 42 Cb -0.10 -3.22 -0.04 0.00 -1.43 0.00 0.00 32.58 27.79 1xsb s HIS 42 CO 0.27 -2.15 0.09 -1.58 -2.00 0.00 0.00 174.74 169.37 1xsb s TRP 43 N -2.57 3.35 0.03 0.38 0.52 -1.26 -2.83 118.94 116.56 1xsb s TRP 43 Ca 0.66 0.24 -0.11 0.00 0.02 0.00 0.00 56.10 56.91 1xsb s TRP 43 Cb -0.21 -2.05 0.01 0.00 -1.15 0.00 0.00 33.47 30.07 1xsb s TRP 43 CO 0.52 0.33 0.23 0.95 0.02 0.00 0.00 176.95 179.00 1xsb s THR 44 N -0.02 0.09 0.68 2.01 -4.23 -0.90 -4.43 115.64 108.85 1xsb s THR 44 Ca 0.08 -0.77 -0.15 0.00 -1.18 0.00 0.00 61.69 59.67 1xsb s THR 44 Cb -0.12 -0.83 0.01 0.00 1.34 0.00 0.00 72.50 72.90 1xsb s THR 44 CO 0.00 -0.42 1.13 -2.16 -0.54 0.00 0.00 174.62 172.63 1xsb s PRO 45 N -2.29 2.65 -0.53 3.99 0.04 -1.26 -2.23 135.00 135.37 1xsb s PRO 45 Ca -0.07 1.45 -0.26 0.00 0.04 0.00 0.00 61.00 62.15 1xsb s PRO 45 Cb -0.02 -1.93 -0.08 0.00 0.04 0.00 0.00 34.50 32.51 1xsb s PRO 45 CO -0.02 -1.38 2.43 -0.35 0.04 0.00 0.00 177.00 177.72 1xsb n PRO 46 N -2.52 0.96 -4.30 0.56 -0.04 -1.26 -4.85 135.00 123.54 1xsb n PRO 46 Ca 0.11 -0.08 -0.16 0.00 -0.04 0.00 0.00 63.50 63.33 1xsb n PRO 46 Cb 0.52 -3.40 -0.10 0.00 -0.04 0.00 0.00 33.50 30.48 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 8.37 1.23 0.00 0.54 -2.85 -1.26 -2.87 119.74 122.91 1xsb s LYS 47 Ca 0.99 -1.58 0.00 0.00 -1.00 0.00 0.00 55.97 54.38 1xsb s LYS 47 Cb -0.21 -0.67 0.00 0.00 -2.06 0.00 0.00 37.83 34.89 1xsb s LYS 47 CO 0.26 -0.00 0.00 0.41 0.10 0.00 0.00 175.35 176.11 1xsb n GLY 48 N -0.33 2.13 3.82 0.59 0.00 -1.24 -5.00 105.19 105.16 1xsb n GLY 48 Ca -0.07 -0.94 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 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 -7.39 3.60 0.04 1.61 3.76 -1.26 -3.18 115.29 112.46 1xsb s HIS 49 Ca 0.00 0.69 -0.23 0.00 -0.15 0.00 0.00 55.06 55.37 1xsb s HIS 49 Cb 0.00 -2.17 -0.06 0.00 1.11 0.00 0.00 32.58 31.46 1xsb s HIS 49 CO 0.00 0.55 0.71 0.54 -0.85 0.00 0.00 174.74 175.69 1xsb s VAL 50 N -0.58 4.76 0.98 -0.90 0.11 -1.23 -4.93 120.40 118.61 1xsb s VAL 50 Ca 0.18 1.51 -0.16 0.00 -2.93 0.00 0.00 61.98 60.57 1xsb s VAL 50 Cb -0.14 -4.05 0.26 0.00 -1.53 0.00 0.00 36.38 30.91 1xsb s VAL 50 CO 0.07 0.40 0.58 1.21 -3.33 0.00 0.00 175.10 174.02 1xsb n GLU 51 N 2.65 -3.92 0.02 1.54 4.07 -1.26 -4.93 120.64 118.81 1xsb n GLU 51 Ca -0.04 -0.97 -0.01 0.00 -0.06 0.00 0.00 57.16 56.08 1xsb n GLU 51 Cb 0.50 -1.27 -0.00 0.00 -0.06 0.00 0.00 31.44 30.61 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 -0.07 -0.95 5.31 0.13 -1.99 -3.30 132.00 131.12 1xsb h PRO 52 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1xsb h PRO 52 Cb 0.88 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1xsb h PRO 52 CO 0.16 -0.04 0.00 0.41 -0.23 0.00 0.00 178.00 178.29 1xsb n GLY 53 N 1.11 1.60 3.86 1.56 0.00 -1.26 -4.84 105.19 107.22 1xsb n GLY 53 Ca -0.01 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.16 3.92 0.79 1.61 2.12 -1.25 -5.06 118.70 119.67 1xsb s GLU 54 Ca 0.05 0.44 -0.11 0.00 0.36 0.00 0.00 54.97 55.70 1xsb s GLU 54 Cb 0.04 -2.74 0.06 0.00 0.26 0.00 0.00 34.13 31.75 1xsb s GLU 54 CO 0.01 0.36 1.09 0.34 -0.54 0.00 0.00 175.26 176.52 1xsb s ASP 55 N -2.06 4.43 -0.08 -1.70 2.15 -1.26 -4.79 116.67 113.35 1xsb s ASP 55 Ca 0.44 1.68 -0.27 0.00 0.43 0.00 0.00 52.55 54.84 1xsb s ASP 55 Cb -0.13 -2.41 -0.24 0.00 -0.30 0.00 0.00 42.92 39.85 1xsb s ASP 55 CO 0.20 -2.06 1.00 0.44 -0.17 0.00 0.00 175.17 174.57 1xsb h ASP 56 N -1.15 0.07 -0.14 -0.34 3.45 -1.97 -2.99 116.42 113.36 1xsb h ASP 56 Ca -0.45 -0.78 -0.08 0.00 0.43 0.00 0.00 57.03 56.16 1xsb h ASP 56 Cb 1.24 -0.02 -0.00 0.00 -0.56 0.00 0.00 39.33 39.99 1xsb h ASP 56 CO 0.53 0.84 -0.22 0.25 -1.57 0.00 0.00 179.24 179.08 1xsb h LEU 57 N -0.68 0.43 -1.24 1.55 5.85 -1.96 -3.04 115.31 116.21 1xsb h LEU 57 Ca -0.01 -0.53 0.15 0.00 0.84 0.00 0.00 57.88 58.33 1xsb h LEU 57 Cb 0.85 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.69 1xsb h LEU 57 CO 0.02 0.88 0.59 -0.33 -0.34 0.00 0.00 178.44 179.25 1xsb h GLU 58 N -0.01 0.70 -0.76 1.25 3.07 -1.97 0.56 114.58 117.42 1xsb h GLU 58 Ca 0.01 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.86 1xsb h GLU 58 Cb 0.79 -0.16 -0.05 0.00 -0.84 0.00 0.00 28.75 28.50 1xsb h GLU 58 CO 0.05 0.46 0.49 1.15 -1.40 0.00 0.00 179.01 179.76 1xsb h THR 59 N 0.72 1.12 -0.45 1.13 2.02 -1.42 0.76 112.91 116.79 1xsb h THR 59 Ca 0.47 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 67.26 1xsb h THR 59 Cb 0.74 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 1xsb h THR 59 CO -0.23 0.17 0.04 0.00 0.37 0.00 0.00 175.52 175.87 1xsb h ALA 60 N 1.32 0.60 0.09 6.16 0.00 0.01 0.27 119.26 127.71 1xsb h ALA 60 Ca 0.30 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1xsb h ALA 60 Cb 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1xsb h ALA 60 CO -0.11 0.36 -0.09 -0.07 0.00 0.00 0.00 179.25 179.35 1xsb h LEU 61 N 0.63 -0.22 -0.51 0.00 3.38 0.93 0.90 115.31 120.42 1xsb h LEU 61 Ca 0.13 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1xsb h LEU 61 Cb 0.44 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1xsb h LEU 61 CO 0.02 -0.13 0.27 -0.09 0.09 0.00 0.00 178.44 178.59 1xsb h ARG 62 N -0.19 0.71 -0.23 1.13 2.43 0.64 -2.30 114.38 116.58 1xsb h ARG 62 Ca 0.00 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 58.98 1xsb h ARG 62 Cb 0.18 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 1xsb h ARG 62 CO -0.02 0.57 -0.29 0.00 -1.51 0.00 0.00 179.97 178.72 1xsb h ALA 63 N 1.11 1.08 -0.32 2.80 0.00 -0.09 0.80 119.26 124.64 1xsb h ALA 63 Ca 0.18 -0.36 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1xsb h ALA 63 Cb 0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xsb h ALA 63 CO -0.03 0.57 0.18 1.15 0.00 0.00 0.00 179.25 181.12 1xsb h THR 64 N 0.40 1.03 0.22 0.00 2.02 0.14 0.32 112.91 117.03 1xsb h THR 64 Ca 0.05 -0.13 -0.32 0.00 0.77 0.00 0.00 66.41 66.79 1xsb h THR 64 Cb 0.71 0.62 0.04 0.00 -1.74 0.00 0.00 68.15 67.78 1xsb h THR 64 CO 0.05 0.07 -1.38 -0.61 0.37 0.00 0.00 175.52 174.03 1xsb h GLN 65 N 0.37 0.55 -0.62 6.66 4.15 -0.33 -0.42 115.11 125.47 1xsb h GLN 65 Ca 0.13 -0.88 -0.05 0.00 0.77 0.00 0.00 58.65 58.62 1xsb h GLN 65 Cb 0.01 0.32 -0.03 0.00 0.21 0.00 0.00 27.48 27.99 1xsb h GLN 65 CO -0.06 1.42 0.19 0.93 -1.93 0.00 0.00 178.83 179.38 1xsb h GLU 66 N 0.13 0.94 -0.59 1.69 4.39 -0.73 3.61 114.58 124.03 1xsb h GLU 66 Ca -0.23 -0.18 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1xsb h GLU 66 Cb 2.07 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.58 1xsb h GLU 66 CO 0.26 0.81 0.00 0.39 -1.16 0.00 0.00 179.01 179.31 1xsb n GLU 67 N -4.28 2.64 0.00 2.33 -0.58 0.11 -4.11 120.64 116.75 1xsb n GLU 67 Ca 0.05 -2.51 0.00 0.00 -0.42 0.00 0.00 57.16 54.28 1xsb n GLU 67 Cb 0.21 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 1xsb n GLU 67 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1xsb n ALA 68 N 1.57 0.17 -0.41 0.62 0.00 0.09 -4.42 120.51 118.12 1xsb n ALA 68 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1xsb n ALA 68 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 -0.12 0.77 3.56 0.00 0.00 1.19 0.46 105.19 111.05 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 -2.86 4.59 0.41 -0.61 1.01 -1.21 -4.78 121.20 117.75 1xsb s ILE 70 Ca 0.00 -0.09 0.07 0.00 0.00 0.00 0.00 60.65 60.63 1xsb s ILE 70 Cb 0.00 -3.10 -0.05 0.00 0.01 0.00 0.00 42.46 39.32 1xsb s ILE 70 CO 0.00 0.41 0.16 -1.83 0.00 0.00 0.00 174.94 173.68 1xsb s GLU 71 N 0.87 2.21 0.38 2.79 -1.05 -1.26 -0.51 118.70 122.13 1xsb s GLU 71 Ca 0.04 -1.84 0.20 0.00 -0.15 0.00 0.00 54.97 53.21 1xsb s GLU 71 Cb -0.14 -1.97 1.18 0.00 -0.44 0.00 0.00 34.13 32.76 1xsb s GLU 71 CO 0.02 -0.09 1.68 0.00 0.95 0.00 0.00 175.26 177.82 1xsb h ALA 72 N 1.46 2.24 0.00 -0.84 0.00 -1.85 2.52 119.26 122.79 1xsb h ALA 72 Ca -0.43 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1xsb h ALA 72 Cb 1.25 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1xsb h ALA 72 CO 0.70 -0.79 -0.02 0.78 0.00 0.00 0.00 179.25 179.92 1xsb h GLY 73 N 0.29 0.00 -0.11 0.00 0.00 -1.99 -1.32 103.07 99.94 1xsb h GLY 73 Ca 0.72 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.05 1xsb h GLY 73 CO -0.47 0.00 -0.66 -1.06 0.00 0.00 0.00 176.54 174.36 1xsb n GLN 74 N -4.39 0.49 -3.68 4.80 6.02 0.83 -4.97 117.38 116.49 1xsb n GLN 74 Ca -0.03 -0.37 -0.18 0.00 -0.01 0.00 0.00 57.00 56.41 1xsb n GLN 74 Cb 0.10 -1.49 -0.05 0.00 1.02 0.00 0.00 30.24 29.82 1xsb n GLN 74 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 1xsb n LEU 75 N -0.93 0.00 -3.78 1.08 -0.00 -0.19 -1.70 117.00 111.48 1xsb n LEU 75 Ca 0.07 -2.18 -0.29 0.00 -0.00 0.00 0.00 56.01 53.61 1xsb n LEU 75 Cb 0.38 0.72 -0.16 0.00 -0.00 0.00 0.00 43.42 44.35 1xsb n LEU 75 CO 0.35 -0.34 -0.37 -0.89 -0.00 0.00 0.00 177.39 176.14 1xsb s THR 76 N -2.61 0.81 0.02 1.47 2.01 -0.39 -4.75 115.64 112.21 1xsb s THR 76 Ca 0.14 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 60.98 1xsb s THR 76 Cb 0.01 -1.32 -0.05 0.00 0.01 0.00 0.00 72.50 71.15 1xsb s THR 76 CO 0.10 -0.27 1.26 -0.63 -0.69 0.00 0.00 174.62 174.40 1xsb s ILE 77 N 1.71 3.95 0.08 1.82 -1.09 -1.26 -2.32 121.20 124.09 1xsb s ILE 77 Ca -0.00 1.36 -0.23 0.00 -2.23 0.00 0.00 60.65 59.55 1xsb s ILE 77 Cb -0.18 -3.87 -0.06 0.00 -1.58 0.00 0.00 42.46 36.77 1xsb s ILE 77 CO -0.10 0.06 0.69 -0.63 -1.23 0.00 0.00 174.94 173.72 1xsb s ILE 78 N 1.63 4.66 0.10 2.92 1.09 0.44 -4.98 121.20 127.06 1xsb s ILE 78 Ca 0.60 1.48 -0.00 0.00 -1.10 0.00 0.00 60.65 61.62 1xsb s ILE 78 Cb -0.29 -4.03 -0.04 0.00 -1.06 0.00 0.00 42.46 37.03 1xsb s ILE 78 CO 0.27 0.47 0.26 -1.61 -0.10 0.00 0.00 174.94 174.23 1xsb s GLU 79 N -0.65 3.48 0.00 2.79 2.02 -1.26 -4.33 118.70 120.74 1xsb s GLU 79 Ca 0.34 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.93 1xsb s GLU 79 Cb -0.21 -2.98 0.00 0.00 0.10 0.00 0.00 34.13 31.04 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 0.04 3.00 3.51 -1.39 0.00 -1.26 -5.04 105.19 104.04 1xsb n GLY 80 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.71 3.06 -0.27 1.61 2.19 -1.26 -5.07 117.98 115.53 1xsb s PHE 81 Ca 0.00 -0.28 -0.08 0.00 0.33 0.00 0.00 56.93 56.91 1xsb s PHE 81 Cb 0.00 -2.00 0.13 0.00 -1.31 0.00 0.00 43.02 39.84 1xsb s PHE 81 CO 0.00 -0.05 0.56 0.21 1.83 0.00 0.00 175.22 177.77 1xsb s LYS 82 N 0.49 0.49 -0.06 10.12 2.20 -1.26 -4.70 119.74 127.02 1xsb s LYS 82 Ca -0.02 1.23 -0.04 0.00 -0.36 0.00 0.00 55.97 56.78 1xsb s LYS 82 Cb -0.14 0.61 0.02 0.00 -1.51 0.00 0.00 37.83 36.81 1xsb s LYS 82 CO 0.02 -0.29 0.14 1.03 -0.36 0.00 0.00 175.35 175.90 1xsb s ARG 83 N 2.79 0.14 -0.05 4.03 1.81 -1.25 -5.02 118.95 121.40 1xsb s ARG 83 Ca -0.00 0.26 0.05 0.00 -1.72 0.00 0.00 55.73 54.31 1xsb s ARG 83 Cb -0.13 -0.01 -0.02 0.00 -0.45 0.00 0.00 34.95 34.35 1xsb s ARG 83 CO -0.17 -0.07 -0.20 -1.83 -0.68 0.00 0.00 175.30 172.35 1xsb s GLU 84 N 0.45 2.51 -0.32 3.54 1.03 -1.24 -1.28 118.70 123.38 1xsb s GLU 84 Ca -0.03 -0.81 -0.17 0.00 0.03 0.00 0.00 54.97 53.99 1xsb s GLU 84 Cb -0.05 -2.26 -0.02 0.00 -0.80 0.00 0.00 34.13 31.01 1xsb s GLU 84 CO -0.02 0.50 0.45 -0.51 -1.33 0.00 0.00 175.26 174.35 1xsb s LEU 85 N -0.44 4.25 -0.22 1.83 1.43 0.29 -4.73 118.68 121.09 1xsb s LEU 85 Ca 0.05 0.08 -0.01 0.00 -1.03 0.00 0.00 54.13 53.22 1xsb s LEU 85 Cb -0.12 -2.51 0.02 0.00 0.03 0.00 0.00 46.19 43.61 1xsb s LEU 85 CO 0.01 -0.36 -0.11 0.54 0.23 0.00 0.00 176.35 176.67 1xsb s ASN 86 N 1.70 3.94 0.03 2.29 2.20 -1.25 -1.13 114.94 122.71 1xsb s ASN 86 Ca 0.17 -0.77 -0.27 0.00 -0.94 0.00 0.00 52.86 51.05 1xsb s ASN 86 Cb -0.16 -1.60 0.07 0.00 -2.00 0.00 0.00 41.25 37.55 1xsb s ASN 86 CO 0.12 -0.07 0.62 -0.72 -2.94 0.00 0.00 177.10 174.10 1xsb s TYR 87 N 1.32 -0.57 -0.39 1.54 1.13 -1.22 -4.91 117.35 114.24 1xsb s TYR 87 Ca 0.02 0.75 -0.06 0.00 -1.41 0.00 0.00 57.07 56.37 1xsb s TYR 87 Cb -0.15 0.43 0.08 0.00 -1.10 0.00 0.00 41.96 41.22 1xsb s TYR 87 CO -0.07 -0.68 0.20 0.54 -2.51 0.00 0.00 175.55 173.03 1xsb s VAL 88 N -2.16 3.72 0.00 -3.49 0.11 -1.26 -2.09 120.40 115.23 1xsb s VAL 88 Ca -0.07 -1.60 0.00 0.00 -2.93 0.00 0.00 61.98 57.39 1xsb s VAL 88 Cb -0.01 -3.33 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 1xsb s VAL 88 CO 0.01 -0.49 0.00 0.00 -3.33 0.00 0.00 175.10 171.29 1xsb n ALA 89 N 4.77 0.00 0.31 1.54 0.00 -1.25 -4.60 120.51 121.27 1xsb n ALA 89 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.19 1xsb n ALA 89 Cb 0.42 0.00 -0.08 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 -0.79 0.00 0.00 2.43 -2.05 -3.44 114.38 110.53 1xsb h ARG 90 Ca 0.00 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1xsb h ARG 90 Cb 0.00 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1xsb h ARG 90 CO 0.00 -0.53 0.00 -1.71 -1.51 0.00 0.00 179.97 176.22 1xsb n ASN 91 N -5.46 0.00 -3.71 -3.80 5.15 -1.26 -5.13 115.26 101.04 1xsb n ASN 91 Ca -0.12 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.71 1xsb n ASN 91 Cb 0.35 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.46 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 0.09 -0.03 1.20 2.47 -1.26 -5.07 119.74 117.14 1xsb s LYS 92 Ca 0.00 0.49 -0.30 0.00 -1.56 0.00 0.00 55.97 54.60 1xsb s LYS 92 Cb 0.00 -0.19 -0.03 0.00 -1.46 0.00 0.00 37.83 36.15 1xsb s LYS 92 CO 0.00 -0.22 1.04 -1.25 0.16 0.00 0.00 175.35 175.07 1xsb s PRO 93 N 1.66 4.48 -0.15 4.03 0.04 -1.26 -3.94 135.00 139.86 1xsb s PRO 93 Ca -0.04 1.48 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1xsb s PRO 93 Cb -0.12 -3.48 -0.00 0.00 0.04 0.00 0.00 34.50 30.94 1xsb s PRO 93 CO -0.06 -0.20 -0.15 0.15 0.04 0.00 0.00 177.00 176.78 1xsb s LYS 94 N 1.45 3.23 -0.34 4.56 1.02 -0.89 -0.18 119.74 128.59 1xsb s LYS 94 Ca 0.52 -0.74 -0.22 0.00 0.02 0.00 0.00 55.97 55.55 1xsb s LYS 94 Cb -0.21 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 1xsb s LYS 94 CO 0.24 0.02 0.71 0.99 -0.92 0.00 0.00 175.35 176.40 1xsb s THR 95 N 0.80 4.83 -0.21 2.17 2.01 -0.08 -3.43 115.64 121.73 1xsb s THR 95 Ca -0.05 0.82 -0.03 0.00 0.31 0.00 0.00 61.69 62.74 1xsb s THR 95 Cb -0.15 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 1xsb s THR 95 CO 0.00 -0.32 -0.06 -0.69 -0.69 0.00 0.00 174.62 172.87 1xsb s VAL 96 N 2.87 3.28 -0.20 3.82 1.01 -0.28 -0.53 120.40 130.37 1xsb s VAL 96 Ca 0.28 -0.53 -0.13 0.00 0.00 0.00 0.00 61.98 61.61 1xsb s VAL 96 Cb -0.14 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.71 1xsb s VAL 96 CO 0.15 0.44 0.26 -0.63 0.00 0.00 0.00 175.10 175.31 1xsb s ILE 97 N 1.39 5.31 -0.12 2.22 -1.09 -0.85 0.10 121.20 128.16 1xsb s ILE 97 Ca 0.05 0.43 0.01 0.00 -2.23 0.00 0.00 60.65 58.91 1xsb s ILE 97 Cb -0.14 -3.60 -0.01 0.00 -1.58 0.00 0.00 42.46 37.13 1xsb s ILE 97 CO -0.03 0.35 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.56 1xsb s TYR 98 N 0.85 2.75 -0.02 3.97 2.02 -0.41 -2.35 117.35 124.16 1xsb s TYR 98 Ca 0.13 -0.69 0.03 0.00 -0.37 0.00 0.00 57.07 56.17 1xsb s TYR 98 Cb -0.13 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.59 1xsb s TYR 98 CO 0.04 -0.23 -0.09 -1.58 -1.57 0.00 0.00 175.55 172.13 1xsb s TRP 99 N 0.28 2.85 0.25 2.71 0.51 -1.25 -3.84 118.94 120.44 1xsb s TRP 99 Ca -0.11 -0.06 -0.30 0.00 -2.12 0.00 0.00 56.10 53.51 1xsb s TRP 99 Cb -0.16 -1.63 -0.09 0.00 -0.81 0.00 0.00 33.47 30.78 1xsb s TRP 99 CO 0.06 0.32 1.00 -0.51 -0.51 0.00 0.00 176.95 177.32 1xsb s LEU 100 N -1.14 4.61 0.07 2.99 1.43 -1.26 -1.53 118.68 123.84 1xsb s LEU 100 Ca 0.15 2.06 0.02 0.00 -1.03 0.00 0.00 54.13 55.33 1xsb s LEU 100 Cb -0.11 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 1xsb s LEU 100 CO 0.05 0.03 -0.06 0.00 0.23 0.00 0.00 176.35 176.59 1xsb s ALA 101 N -1.10 0.71 -0.14 4.21 0.00 0.18 -0.42 121.76 125.20 1xsb s ALA 101 Ca 0.43 -1.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.32 1xsb s ALA 101 Cb -0.28 0.12 0.04 0.00 0.00 0.00 0.00 23.12 23.00 1xsb s ALA 101 CO 0.35 -0.16 -0.05 -2.00 0.00 0.00 0.00 175.76 173.91 1xsb s GLU 102 N -2.80 1.31 0.16 0.00 2.12 -0.98 0.34 118.70 118.84 1xsb s GLU 102 Ca 0.01 -0.34 -0.30 0.00 0.36 0.00 0.00 54.97 54.70 1xsb s GLU 102 Cb -0.01 -1.73 -0.07 0.00 0.26 0.00 0.00 34.13 32.57 1xsb s GLU 102 CO -0.03 -0.37 1.05 0.14 -0.54 0.00 0.00 175.26 175.51 1xsb s VAL 103 N 1.72 4.09 0.33 3.70 -7.23 -1.26 -1.26 120.40 120.48 1xsb s VAL 103 Ca 0.03 1.79 0.09 0.00 -1.81 0.00 0.00 61.98 62.08 1xsb s VAL 103 Cb -0.14 -4.14 0.06 0.00 0.56 0.00 0.00 36.38 32.72 1xsb s VAL 103 CO -0.08 0.30 1.75 0.11 -0.31 0.00 0.00 175.10 176.88 1xsb h LYS 104 N 5.24 0.14 -5.50 4.82 1.79 -1.69 -3.43 116.57 117.95 1xsb h LYS 104 Ca -0.44 -0.06 -0.64 0.00 -2.18 0.00 0.00 60.65 57.33 1xsb h LYS 104 Cb 1.21 -0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.72 1xsb h LYS 104 CO 0.72 0.52 -0.55 0.34 -1.08 0.00 0.00 179.45 179.39 1xsb s ASP 105 N -6.89 5.74 0.17 0.86 3.68 -1.26 -4.98 116.67 113.98 1xsb s ASP 105 Ca -0.04 0.18 -0.12 0.00 2.13 0.00 0.00 52.55 54.71 1xsb s ASP 105 Cb 0.14 -1.89 0.07 0.00 -1.45 0.00 0.00 42.92 39.78 1xsb s ASP 105 CO 0.75 0.27 1.70 0.22 0.13 0.00 0.00 175.17 178.24 1xsb h TYR 106 N 6.02 0.92 -0.56 -5.34 3.20 -2.01 -1.67 116.97 117.52 1xsb h TYR 106 Ca -0.44 -0.09 -0.06 0.00 3.14 0.00 0.00 58.73 61.29 1xsb h TYR 106 Cb 1.18 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 39.15 1xsb h TYR 106 CO 0.62 0.76 0.07 -3.47 -1.64 0.00 0.00 178.16 174.50 1xsb n ASP 107 N -4.43 5.04 -3.74 -2.11 4.64 -1.26 -5.00 116.55 109.68 1xsb n ASP 107 Ca 0.03 -2.90 -0.35 0.00 -1.38 0.00 0.00 54.79 50.19 1xsb n ASP 107 Cb 0.20 -0.68 0.01 0.00 -1.04 0.00 0.00 41.12 39.60 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -0.82 0.00 0.00 177.20 176.93 1xsb n VAL 108 N 0.37 0.17 -1.85 5.18 3.14 -0.63 -4.74 118.33 119.97 1xsb n VAL 108 Ca 0.28 -0.44 -0.40 0.00 -2.96 0.00 0.00 64.34 60.82 1xsb n VAL 108 Cb 1.15 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.94 1xsb n VAL 108 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1xsb s GLU 109 N -0.88 3.82 -0.27 1.45 -1.05 -1.26 -4.99 118.70 115.52 1xsb s GLU 109 Ca 0.51 2.39 0.02 0.00 -0.15 0.00 0.00 54.97 57.73 1xsb s GLU 109 Cb -0.48 -2.73 0.07 0.00 -0.44 0.00 0.00 34.13 30.56 1xsb s GLU 109 CO 0.57 -0.70 -0.02 0.42 0.95 0.00 0.00 175.26 176.48 1xsb s ILE 110 N -1.20 1.72 -0.34 1.83 -1.09 -1.25 -4.40 121.20 116.47 1xsb s ILE 110 Ca 0.59 -1.54 -0.09 0.00 -2.23 0.00 0.00 60.65 57.37 1xsb s ILE 110 Cb -0.43 -2.05 0.02 0.00 -1.58 0.00 0.00 42.46 38.43 1xsb s ILE 110 CO 0.56 -0.26 0.15 -0.13 -1.23 0.00 0.00 174.94 174.03 1xsb s ARG 111 N 1.27 2.88 -0.08 2.79 3.00 1.64 -4.90 118.95 125.55 1xsb s ARG 111 Ca -0.01 -1.02 -0.13 0.00 0.00 0.00 0.00 55.73 54.57 1xsb s ARG 111 Cb -0.19 -3.57 -0.05 0.00 0.00 0.00 0.00 34.95 31.15 1xsb s ARG 111 CO -0.09 -0.61 0.31 -0.51 0.00 0.00 0.00 175.30 174.40 1xsb s LEU 112 N 1.51 4.38 0.78 2.53 1.43 -1.26 -0.73 118.68 127.31 1xsb s LEU 112 Ca 0.01 0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 53.73 1xsb s LEU 112 Cb -0.19 -2.40 0.11 0.00 0.03 0.00 0.00 46.19 43.75 1xsb s LEU 112 CO 0.05 0.27 1.10 -0.44 0.23 0.00 0.00 176.35 177.55 1xsb s SER 113 N -0.54 4.24 0.47 2.29 0.01 -1.25 -4.84 113.70 114.08 1xsb s SER 113 Ca 0.19 0.22 0.24 0.00 1.31 0.00 0.00 55.95 57.91 1xsb s SER 113 Cb -0.14 -0.63 1.28 0.00 0.21 0.00 0.00 66.02 66.73 1xsb s SER 113 CO 0.08 -1.98 1.87 -0.74 0.41 0.00 0.00 173.24 172.89 1xsb h HIS 114 N -0.87 0.29 -0.42 2.43 2.76 -1.98 0.37 115.15 117.72 1xsb h HIS 114 Ca -0.43 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 57.74 1xsb h HIS 114 Cb 1.28 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 30.14 1xsb h HIS 114 CO -0.20 0.07 0.20 0.93 -1.30 0.00 0.00 177.93 177.63 1xsb h GLU 115 N 0.21 0.58 -6.44 5.26 4.39 -1.96 -3.41 114.58 113.21 1xsb h GLU 115 Ca 0.45 -0.06 -0.69 0.00 0.34 0.00 0.00 59.36 59.40 1xsb h GLU 115 Cb 1.42 -0.12 -0.24 0.00 -0.10 0.00 0.00 28.75 29.72 1xsb h GLU 115 CO -0.10 0.45 -0.79 -1.01 -1.16 0.00 0.00 179.01 176.40 1xsb s HIS 116 N -5.35 2.62 -0.02 4.33 3.76 0.13 -0.73 115.29 120.02 1xsb s HIS 116 Ca -0.08 -0.22 0.05 0.00 -0.15 0.00 0.00 55.06 54.65 1xsb s HIS 116 Cb 0.17 -1.56 -0.07 0.00 1.11 0.00 0.00 32.58 32.22 1xsb s HIS 116 CO 0.75 0.18 0.08 0.00 -0.85 0.00 0.00 174.74 174.90 1xsb n GLN 117 N 2.08 0.94 -3.69 1.40 10.64 -0.07 -3.94 117.38 124.74 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 -1.12 -0.06 0.00 -0.86 0.00 0.00 30.24 28.73 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 -2.28 -0.82 0.05 2.61 0.00 -1.24 -4.97 121.76 115.11 1xsb s ALA 118 Ca -0.02 -0.00 -0.00 0.00 0.00 0.00 0.00 51.96 51.93 1xsb s ALA 118 Cb 0.03 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.61 1xsb s ALA 118 CO 0.20 -0.53 -0.04 1.52 0.00 0.00 0.00 175.76 176.91 1xsb s TYR 119 N -3.19 0.55 0.01 0.00 1.13 -1.26 0.36 117.35 114.95 1xsb s TYR 119 Ca -0.01 -0.99 -0.03 0.00 -1.41 0.00 0.00 57.07 54.64 1xsb s TYR 119 Cb 0.01 -0.39 -0.01 0.00 -1.10 0.00 0.00 41.96 40.47 1xsb s TYR 119 CO -0.07 -0.33 0.04 1.03 -2.51 0.00 0.00 175.55 173.71 1xsb s ARG 120 N -3.63 0.38 -0.38 -3.49 0.52 -0.69 -4.96 118.95 106.69 1xsb s ARG 120 Ca 0.05 -0.51 -0.08 0.00 -0.52 0.00 0.00 55.73 54.67 1xsb s ARG 120 Cb 0.06 0.15 0.05 0.00 0.52 0.00 0.00 34.95 35.73 1xsb s ARG 120 CO -0.08 -0.08 0.18 -1.58 0.02 0.00 0.00 175.30 173.77 1xsb s TRP 121 N -1.40 3.29 0.36 -0.53 0.52 -1.26 -2.87 118.94 117.05 1xsb s TRP 121 Ca -0.15 -1.40 0.03 0.00 0.02 0.00 0.00 56.10 54.61 1xsb s TRP 121 Cb -0.09 -2.58 -0.05 0.00 -1.15 0.00 0.00 33.47 29.60 1xsb s TRP 121 CO 0.00 -0.76 0.09 -0.51 0.02 0.00 0.00 176.95 175.78 1xsb s LEU 122 N 1.43 2.08 0.00 2.99 1.02 -1.25 -4.94 118.68 120.02 1xsb s LEU 122 Ca 0.01 -1.51 -0.12 0.00 0.02 0.00 0.00 54.13 52.53 1xsb s LEU 122 Cb -0.21 -0.27 0.19 0.00 0.02 0.00 0.00 46.19 45.92 1xsb s LEU 122 CO 0.03 -0.75 1.14 0.61 0.02 0.00 0.00 176.35 177.40 1xsb n GLY 123 N -0.79 -1.02 0.37 -3.19 0.00 -1.26 -1.69 105.19 97.61 1xsb n GLY 123 Ca -0.04 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 1.07 0.26 0.99 5.85 -1.76 0.39 115.31 122.11 1xsb h LEU 124 Ca -0.37 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 1xsb h LEU 124 Cb 1.08 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.85 1xsb h LEU 124 CO 0.28 0.73 -0.20 1.05 -0.34 0.00 0.00 178.44 179.97 1xsb h GLU 125 N 1.24 -0.44 -0.16 1.25 4.11 -1.92 0.45 114.58 119.10 1xsb h GLU 125 Ca 0.39 0.03 -0.13 0.00 0.07 0.00 0.00 59.36 59.72 1xsb h GLU 125 Cb -0.01 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1xsb h GLU 125 CO -0.12 -0.30 -0.41 0.93 0.07 0.00 0.00 179.01 179.19 1xsb h GLU 126 N -0.46 0.56 -0.56 1.06 3.07 -1.86 0.23 114.58 116.62 1xsb h GLU 126 Ca -0.02 -0.39 0.10 0.00 -0.50 0.00 0.00 59.36 58.56 1xsb h GLU 126 Cb 0.40 0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 1xsb h GLU 126 CO -0.00 1.00 0.38 0.00 -1.40 0.00 0.00 179.01 178.99 1xsb h ALA 127 N 0.56 2.09 0.07 3.43 0.00 -0.10 0.45 119.26 125.76 1xsb h ALA 127 Ca -0.00 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.62 1xsb h ALA 127 Cb 1.02 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.76 1xsb h ALA 127 CO 0.09 -0.22 -1.13 0.00 0.00 0.00 0.00 179.25 177.99 1xsb h GLN 129 N 0.25 0.24 -0.46 0.00 -0.00 0.23 -3.06 115.11 112.31 1xsb h GLN 129 Ca -0.14 -0.07 -0.07 0.00 -0.00 0.00 0.00 58.65 58.36 1xsb h GLN 129 Cb 1.80 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.48 29.24 1xsb h GLN 129 CO 0.21 0.46 0.01 -0.07 -0.00 0.00 0.00 178.83 179.44 1xsb h LEU 130 N -0.01 0.79 -4.79 0.06 3.38 -0.34 -3.08 115.31 111.32 1xsb h LEU 130 Ca 0.04 -0.30 -0.55 0.00 0.09 0.00 0.00 57.88 57.16 1xsb h LEU 130 Cb 0.35 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.89 1xsb h LEU 130 CO 0.01 0.90 2.87 0.00 0.09 0.00 0.00 178.44 182.30 1xsb n ALA 131 N -2.42 7.22 -0.41 1.53 0.00 -0.63 -4.05 120.51 121.74 1xsb n ALA 131 Ca 0.00 -3.10 0.35 0.00 0.00 0.00 0.00 53.44 50.70 1xsb n ALA 131 Cb 0.30 -3.13 0.59 0.00 0.00 0.00 0.00 19.45 17.21 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 3.35 -0.03 -1.68 0.00 1.13 -1.17 -3.79 117.38 115.20 1xsb n GLN 132 Ca 0.70 1.10 -0.47 0.00 -1.94 0.00 0.00 57.00 56.38 1xsb n GLN 132 Cb 0.38 -2.17 -0.04 0.00 0.11 0.00 0.00 30.24 28.52 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 -4.46 2.33 -0.07 1.08 3.01 -1.26 -4.81 117.46 113.28 1xsb n PHE 133 Ca 0.35 0.04 0.09 0.00 1.01 0.00 0.00 57.45 58.94 1xsb n PHE 133 Cb 1.37 -2.64 0.46 0.00 -0.01 0.00 0.00 39.48 38.66 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 8.48 0.48 -0.48 -1.08 3.64 -1.96 -0.25 116.57 125.41 1xsb h LYS 134 Ca -0.48 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 58.93 1xsb h LYS 134 Cb 1.27 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.93 1xsb h LYS 134 CO 0.93 0.32 0.20 0.93 -2.27 0.00 0.00 179.45 179.57 1xsb h GLU 135 N 0.50 0.39 0.02 1.90 5.08 -1.89 0.72 114.58 121.30 1xsb h GLU 135 Ca 0.24 -0.02 -0.19 0.00 -1.00 0.00 0.00 59.36 58.38 1xsb h GLU 135 Cb 0.30 -0.09 0.02 0.00 0.50 0.00 0.00 28.75 29.48 1xsb h GLU 135 CO -0.07 0.26 -0.76 0.52 -1.00 0.00 0.00 179.01 177.97 1xsb h MET 136 N 0.41 0.48 -0.62 2.33 2.86 -1.59 0.66 114.93 119.46 1xsb h MET 136 Ca 0.22 -0.54 0.08 0.00 -2.06 0.00 0.00 59.70 57.39 1xsb h MET 136 Cb 0.18 0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.96 1xsb h MET 136 CO -0.19 1.18 0.41 0.87 1.06 0.00 0.00 176.91 180.25 1xsb h LYS 137 N 0.02 0.52 0.01 1.72 1.57 -0.73 1.39 116.57 121.07 1xsb h LYS 137 Ca -0.10 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.56 1xsb h LYS 137 Cb 1.46 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.66 1xsb h LYS 137 CO 0.15 0.34 -0.36 0.00 -0.57 0.00 0.00 179.45 179.01 1xsb h ALA 138 N 1.67 0.03 -0.38 3.86 0.00 0.63 0.10 119.26 125.19 1xsb h ALA 138 Ca 0.28 -0.51 0.03 0.00 0.00 0.00 0.00 54.91 54.71 1xsb h ALA 138 Cb 0.39 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1xsb h ALA 138 CO -0.08 0.16 0.19 0.00 0.00 0.00 0.00 179.25 179.52 1xsb h ALA 139 N 0.25 0.47 -0.07 0.00 0.00 0.18 1.93 119.26 122.02 1xsb h ALA 139 Ca -0.05 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1xsb h ALA 139 Cb 1.12 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1xsb h ALA 139 CO 0.07 -0.17 -0.22 -0.07 0.00 0.00 0.00 179.25 178.87 1xsb h LEU 140 N 0.40 0.11 0.04 0.00 3.38 0.18 -0.67 115.31 118.75 1xsb h LEU 140 Ca 0.16 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 1xsb h LEU 140 Cb 0.06 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1xsb h LEU 140 CO -0.11 0.33 -0.02 1.56 0.09 0.00 0.00 178.44 180.30 1xsb h GLN 141 N 0.10 -0.06 -0.64 1.13 1.08 0.20 -2.92 115.11 114.01 1xsb h GLN 141 Ca 0.02 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.19 1xsb h GLN 141 Cb 0.44 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.86 1xsb h GLN 141 CO 0.03 0.58 0.25 0.93 -0.95 0.00 0.00 178.83 179.67 1xsb h GLU 142 N -0.81 0.94 -0.25 1.46 5.08 0.30 0.89 114.58 122.19 1xsb h GLU 142 Ca -0.01 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1xsb h GLU 142 Cb 0.67 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1xsb h GLU 142 CO 0.01 0.77 0.10 0.78 -1.00 0.00 0.00 179.01 179.67 1xsb h GLY 143 N 1.02 0.32 0.99 -3.84 0.00 -1.20 0.36 103.07 100.72 1xsb h GLY 143 Ca 0.22 -0.07 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 1xsb h GLY 143 CO -0.02 0.05 0.16 0.84 0.00 0.00 0.00 176.54 177.57 1xsb h HIS 144 N 0.22 0.91 -0.64 5.60 -0.00 -1.23 0.50 115.15 120.51 1xsb h HIS 144 Ca 0.11 -0.10 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1xsb h HIS 144 Cb 0.06 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.18 1xsb h HIS 144 CO -0.12 0.77 0.42 0.37 -0.00 0.00 0.00 177.93 179.38 1xsb h GLN 145 N 0.78 0.85 0.04 5.26 5.75 -0.05 -1.29 115.11 126.45 1xsb h GLN 145 Ca 0.18 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1xsb h GLN 145 Cb 0.30 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.66 1xsb h GLN 145 CO -0.00 0.57 -0.02 0.35 -2.65 0.00 0.00 178.83 177.08 1xsb h PHE 146 N 0.87 -0.05 -0.87 3.99 3.04 -0.06 -2.88 116.94 120.98 1xsb h PHE 146 Ca 0.23 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.31 1xsb h PHE 146 Cb -0.09 0.02 -0.07 0.00 2.56 0.00 0.00 35.95 38.37 1xsb h PHE 146 CO -0.03 0.55 0.56 -0.07 -2.02 0.00 0.00 178.31 177.30 1xsb h LEU 147 N -0.71 0.69 -0.09 0.59 3.38 -0.86 0.96 115.31 119.26 1xsb h LEU 147 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xsb h LEU 147 Cb 0.62 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1xsb h LEU 147 CO 0.01 0.37 0.00 0.00 0.09 0.00 0.00 178.44 178.91 1xsb n SER 149 N -1.65 0.58 0.00 0.00 2.88 0.33 -4.83 113.62 110.93 1xsb n SER 149 Ca 0.04 -0.17 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1xsb n SER 149 Cb 0.25 0.34 0.00 0.00 -0.75 0.00 0.00 64.21 64.04 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 -1.73 0.00 0.00 2.46 5.41 -0.97 -5.09 119.36 119.44 1xsb n ILE 150 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.79 1xsb n ILE 150 Cb 0.38 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.31 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 -0.06 0.38 2.13 -1.26 -5.06 120.64 116.77 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 -2.25 1.15 1.73 4.31 0.00 -1.26 -5.07 120.51 119.12 1xsb n ALA 152 Ca 0.00 -0.63 0.15 0.00 0.00 0.00 0.00 53.44 52.96 1xsb n ALA 152 Cb 0.00 0.06 0.72 0.00 0.00 0.00 0.00 19.45 20.23 1xsb n ALA 152 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39