#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsb s PRO 2 N 0.00 4.04 0.42 1.61 0.04 -1.26 -4.94 135.00 134.91 1xsb s PRO 2 Ca 0.00 1.68 0.08 0.00 0.04 0.00 0.00 61.00 62.81 1xsb s PRO 2 Cb 0.00 -2.56 0.89 0.00 0.04 0.00 0.00 34.50 32.86 1xsb s PRO 2 CO 0.00 -0.29 2.05 -0.07 0.04 0.00 0.00 177.00 178.73 1xsb h LEU 3 N 2.46 0.39 0.00 -3.56 4.07 -2.04 -3.46 115.31 113.17 1xsb h LEU 3 Ca -0.49 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.45 1xsb h LEU 3 Cb 1.23 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.87 1xsb h LEU 3 CO 0.62 0.32 0.00 0.61 -1.08 0.00 0.00 178.44 178.91 1xsb n GLY 4 N -1.39 0.69 0.00 0.83 0.00 -1.26 -4.92 105.19 99.13 1xsb n GLY 4 Ca 0.02 -0.24 0.02 0.00 0.00 0.00 0.00 46.02 45.82 1xsb n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xsb n SER 5 N 0.43 0.00 -4.65 1.61 7.64 -1.26 -4.42 113.62 112.97 1xsb n SER 5 Ca 0.00 -1.79 -0.43 0.00 1.01 0.00 0.00 58.87 57.66 1xsb n SER 5 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1xsb n SER 5 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1xsb s MET 6 N -2.00 4.17 0.59 1.43 1.75 -1.26 -4.82 119.30 119.16 1xsb s MET 6 Ca 0.06 1.11 -0.20 0.00 -1.25 0.00 0.00 55.69 55.41 1xsb s MET 6 Cb 0.03 -3.67 -0.04 0.00 2.84 0.00 0.00 34.83 33.99 1xsb s MET 6 CO 0.04 -0.65 1.27 0.00 -0.65 0.00 0.00 175.02 175.04 1xsb s ALA 7 N 3.15 2.60 -0.04 4.11 0.00 -1.26 -4.49 121.76 125.83 1xsb s ALA 7 Ca 0.40 1.15 -0.00 0.00 0.00 0.00 0.00 51.96 53.51 1xsb s ALA 7 Cb -0.14 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.43 1xsb s ALA 7 CO 0.09 -1.31 0.02 -0.51 0.00 0.00 0.00 175.76 174.05 1xsb s LEU 8 N -3.92 3.61 -0.00 0.00 1.02 0.21 -4.96 118.68 114.64 1xsb s LEU 8 Ca 0.76 0.08 -0.23 0.00 0.02 0.00 0.00 54.13 54.77 1xsb s LEU 8 Cb -0.35 -1.98 -0.05 0.00 0.02 0.00 0.00 46.19 43.83 1xsb s LEU 8 CO 0.39 0.32 0.70 -0.60 0.02 0.00 0.00 176.35 177.18 1xsb s ARG 9 N -1.30 4.43 0.11 1.70 3.52 -1.26 -1.66 118.95 124.48 1xsb s ARG 9 Ca 0.17 0.91 -0.04 0.00 -0.13 0.00 0.00 55.73 56.65 1xsb s ARG 9 Cb -0.12 -3.38 -0.03 0.00 -1.56 0.00 0.00 34.95 29.87 1xsb s ARG 9 CO 0.07 0.24 0.10 0.00 -0.81 0.00 0.00 175.30 174.90 1xsb s ALA 10 N 0.16 0.43 -0.22 6.12 0.00 -0.39 -3.79 121.76 124.07 1xsb s ALA 10 Ca 0.36 -1.15 -0.09 0.00 0.00 0.00 0.00 51.96 51.08 1xsb s ALA 10 Cb -0.19 0.63 0.09 0.00 0.00 0.00 0.00 23.12 23.66 1xsb s ALA 10 CO 0.20 -0.49 0.49 0.00 0.00 0.00 0.00 175.76 175.96 1xsb s GLY 12 N 2.42 2.83 -0.18 0.00 0.00 -0.95 -2.33 107.32 109.11 1xsb s GLY 12 Ca -0.04 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.77 1xsb s GLY 12 CO -0.15 -2.11 -0.16 1.08 0.00 0.00 0.00 173.10 171.77 1xsb s LEU 13 N -3.79 2.15 -0.53 0.66 1.43 -0.81 -3.96 118.68 113.83 1xsb s LEU 13 Ca 0.15 -0.71 -0.25 0.00 -1.03 0.00 0.00 54.13 52.28 1xsb s LEU 13 Cb 0.04 -1.35 0.04 0.00 0.03 0.00 0.00 46.19 44.94 1xsb s LEU 13 CO 0.08 -0.06 0.98 -0.63 0.23 0.00 0.00 176.35 176.95 1xsb s ILE 14 N 1.35 4.35 -0.11 -0.59 1.01 -0.64 -4.27 121.20 122.30 1xsb s ILE 14 Ca 0.03 0.49 -0.11 0.00 0.00 0.00 0.00 60.65 61.06 1xsb s ILE 14 Cb -0.14 -4.54 -0.05 0.00 0.01 0.00 0.00 42.46 37.74 1xsb s ILE 14 CO -0.11 -1.08 0.25 -0.63 0.00 0.00 0.00 174.94 173.37 1xsb s ILE 15 N 4.06 5.32 -0.07 2.92 1.01 -1.26 0.12 121.20 133.30 1xsb s ILE 15 Ca 0.34 0.45 -0.01 0.00 0.00 0.00 0.00 60.65 61.43 1xsb s ILE 15 Cb -0.11 -3.55 0.03 0.00 0.01 0.00 0.00 42.46 38.84 1xsb s ILE 15 CO 0.22 0.53 -0.01 0.72 0.00 0.00 0.00 174.94 176.40 1xsb s PHE 16 N -0.49 0.73 -0.29 3.97 -0.71 1.59 -1.82 117.98 120.96 1xsb s PHE 16 Ca 0.17 -0.21 -0.25 0.00 -1.04 0.00 0.00 56.93 55.60 1xsb s PHE 16 Cb -0.13 -0.82 0.00 0.00 -1.21 0.00 0.00 43.02 40.86 1xsb s PHE 16 CO 0.06 -0.33 0.85 0.50 -1.34 0.00 0.00 175.22 174.96 1xsb s ARG 17 N 1.87 4.03 -0.08 1.99 3.52 0.66 -3.86 118.95 127.09 1xsb s ARG 17 Ca 0.04 0.76 -0.15 0.00 -0.13 0.00 0.00 55.73 56.24 1xsb s ARG 17 Cb -0.12 -3.71 -0.05 0.00 -1.56 0.00 0.00 34.95 29.51 1xsb s ARG 17 CO -0.05 -0.68 0.39 0.50 -0.81 0.00 0.00 175.30 174.65 1xsb s ARG 18 N 3.06 4.12 0.64 5.12 3.52 -1.26 -2.78 118.95 131.36 1xsb s ARG 18 Ca 0.35 0.33 -0.11 0.00 -0.13 0.00 0.00 55.73 56.17 1xsb s ARG 18 Cb -0.14 -3.34 -0.03 0.00 -1.56 0.00 0.00 34.95 29.88 1xsb s ARG 18 CO 0.12 0.42 1.04 0.00 -0.81 0.00 0.00 175.30 176.07 1xsb h LEU 20 N -0.39 0.57 -7.62 0.00 3.38 -1.97 -3.44 115.31 105.83 1xsb h LEU 20 Ca -0.44 0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.54 1xsb h LEU 20 Cb 1.20 -0.03 -0.13 0.00 0.09 0.00 0.00 40.66 41.80 1xsb h LEU 20 CO 0.62 0.28 -0.18 0.27 0.09 0.00 0.00 178.44 179.53 1xsb s ILE 21 N -6.00 0.09 0.70 1.22 -5.25 -1.26 -5.16 121.20 105.53 1xsb s ILE 21 Ca -0.12 -0.86 -0.15 0.00 -0.99 0.00 0.00 60.65 58.53 1xsb s ILE 21 Cb 0.20 -1.33 0.02 0.00 2.95 0.00 0.00 42.46 44.30 1xsb s ILE 21 CO 0.78 -0.39 1.15 -2.84 -1.79 0.00 0.00 174.94 171.84 1xsb s PRO 22 N -3.85 2.47 0.00 0.37 0.02 -1.26 -5.00 135.00 127.76 1xsb s PRO 22 Ca 0.06 1.53 0.00 0.00 0.02 0.00 0.00 61.00 62.60 1xsb s PRO 22 Cb 0.03 -1.90 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1xsb s PRO 22 CO -0.09 -1.53 0.00 1.63 -0.33 0.00 0.00 177.00 176.68 1xsb n LYS 23 N -2.62 0.00 0.00 5.54 5.02 -1.26 -4.87 118.16 119.97 1xsb n LYS 23 Ca 0.11 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.54 1xsb n LYS 23 Cb 0.51 0.00 0.64 0.00 -0.02 0.00 0.00 35.03 36.16 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xsb n VAL 24 N -0.76 0.08 -3.47 -0.18 0.31 -1.26 -4.89 118.33 108.17 1xsb n VAL 24 Ca 0.00 0.02 -0.21 0.00 -0.01 0.00 0.00 64.34 64.14 1xsb n VAL 24 Cb 0.00 -0.54 0.07 0.00 -0.91 0.00 0.00 33.84 32.46 1xsb n VAL 24 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1xsb n ASP 25 N -1.42 -5.94 0.00 4.52 2.03 -1.26 -4.85 116.55 109.63 1xsb n ASP 25 Ca 0.09 -0.48 0.00 0.00 0.52 0.00 0.00 54.79 54.93 1xsb n ASP 25 Cb 0.29 -4.56 0.00 0.00 -0.72 0.00 0.00 41.12 36.13 1xsb n ASP 25 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 1xsb n ASN 26 N -2.53 0.00 -1.11 1.67 5.15 -1.26 -4.88 115.26 112.30 1xsb n ASN 26 Ca 0.01 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.98 1xsb n ASN 26 Cb 0.56 0.01 0.11 0.00 -0.53 0.00 0.00 39.78 39.93 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 -1.38 2.81 -0.35 1.20 6.94 -1.26 -4.39 115.26 118.84 1xsb n ASN 27 Ca 0.00 -2.39 0.22 0.00 -0.02 0.00 0.00 54.58 52.39 1xsb n ASN 27 Cb 0.00 -0.58 0.46 0.00 -2.36 0.00 0.00 39.78 37.30 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 2.36 2.03 -3.90 -2.53 0.00 -1.95 -3.38 119.26 111.88 1xsb h ALA 28 Ca 0.07 0.12 -0.69 0.00 0.00 0.00 0.00 54.91 54.42 1xsb h ALA 28 Cb 1.20 0.07 -0.24 0.00 0.00 0.00 0.00 17.79 18.82 1xsb h ALA 28 CO 0.23 -0.53 -0.77 0.42 0.00 0.00 0.00 179.25 178.60 1xsb s ILE 29 N -5.63 3.08 0.25 0.00 1.01 -1.26 -3.47 121.20 115.17 1xsb s ILE 29 Ca -0.10 -0.71 0.09 0.00 0.00 0.00 0.00 60.65 59.94 1xsb s ILE 29 Cb 0.28 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.48 1xsb s ILE 29 CO 0.80 0.58 -0.15 -1.61 0.00 0.00 0.00 174.94 174.56 1xsb s GLU 30 N -0.55 1.50 0.12 2.79 2.02 -1.12 -4.04 118.70 119.42 1xsb s GLU 30 Ca 0.08 -1.70 0.10 0.00 0.02 0.00 0.00 54.97 53.47 1xsb s GLU 30 Cb -0.11 -1.36 -0.04 0.00 0.10 0.00 0.00 34.13 32.72 1xsb s GLU 30 CO 0.01 0.21 -0.25 -0.06 0.02 0.00 0.00 175.26 175.19 1xsb s PHE 31 N -2.81 2.17 -0.06 1.61 0.08 -0.61 -0.24 117.98 118.12 1xsb s PHE 31 Ca 0.26 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.63 1xsb s PHE 31 Cb -0.01 -1.19 -0.02 0.00 -0.57 0.00 0.00 43.02 41.23 1xsb s PHE 31 CO 0.11 0.29 0.99 -1.17 -0.10 0.00 0.00 175.22 175.34 1xsb s LEU 32 N -1.97 4.30 -0.05 -0.37 2.96 -0.76 -3.81 118.68 118.99 1xsb s LEU 32 Ca 0.12 1.57 0.02 0.00 -0.22 0.00 0.00 54.13 55.62 1xsb s LEU 32 Cb -0.10 -3.55 0.01 0.00 0.50 0.00 0.00 46.19 43.05 1xsb s LEU 32 CO 0.05 -0.36 -0.10 -0.76 -1.32 0.00 0.00 176.35 173.86 1xsb s LEU 33 N 1.57 1.67 -0.07 -0.68 1.43 -1.16 -4.50 118.68 116.94 1xsb s LEU 33 Ca 0.49 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.33 1xsb s LEU 33 Cb -0.19 -0.69 -0.04 0.00 0.03 0.00 0.00 46.19 45.30 1xsb s LEU 33 CO 0.22 0.04 0.07 -0.76 0.23 0.00 0.00 176.35 176.16 1xsb s LEU 34 N 0.49 3.94 -0.17 1.79 1.43 -1.07 -1.74 118.68 123.35 1xsb s LEU 34 Ca -0.09 0.24 -0.09 0.00 -1.03 0.00 0.00 54.13 53.16 1xsb s LEU 34 Cb -0.13 -2.06 -0.05 0.00 0.03 0.00 0.00 46.19 43.98 1xsb s LEU 34 CO 0.02 0.35 0.13 -1.58 0.23 0.00 0.00 176.35 175.50 1xsb s GLN 35 N -1.24 3.89 0.42 1.70 0.74 1.31 -2.69 119.66 123.79 1xsb s GLN 35 Ca 0.17 -0.19 -0.25 0.00 0.05 0.00 0.00 55.36 55.14 1xsb s GLN 35 Cb -0.12 -3.32 -0.08 0.00 1.10 0.00 0.00 33.01 30.59 1xsb s GLN 35 CO 0.07 0.48 1.25 0.00 -0.55 0.00 0.00 175.29 176.55 1xsb s ALA 36 N -0.17 3.15 -1.81 1.58 0.00 -1.18 0.18 121.76 123.49 1xsb s ALA 36 Ca 0.10 1.13 0.31 0.00 0.00 0.00 0.00 51.96 53.50 1xsb s ALA 36 Cb -0.11 -3.45 1.70 0.00 0.00 0.00 0.00 23.12 21.25 1xsb s ALA 36 CO 0.00 -0.77 2.13 -1.13 0.00 0.00 0.00 175.76 175.99 1xsb n SER 37 N -0.08 0.10 -2.83 0.00 3.41 -0.16 -4.30 113.62 109.76 1xsb n SER 37 Ca 0.05 -0.72 -0.11 0.00 -0.26 0.00 0.00 58.87 57.83 1xsb n SER 37 Cb 0.45 -0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.31 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 -1.03 -1.96 0.00 4.04 5.68 -1.26 -4.95 116.55 117.06 1xsb n ASP 38 Ca 0.20 -2.68 0.00 0.00 -0.50 0.00 0.00 54.79 51.81 1xsb n ASP 38 Cb 0.18 3.36 0.00 0.00 -1.14 0.00 0.00 41.12 43.52 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 -0.54 -0.71 0.00 6.12 0.00 -1.26 -3.26 105.19 105.53 1xsb n GLY 39 Ca -0.06 -1.17 0.11 0.00 0.00 0.00 0.00 46.02 44.91 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 -3.39 -0.61 -5.35 -1.26 -4.85 119.36 103.90 1xsb n ILE 40 Ca 0.00 0.00 -0.19 0.00 -0.27 0.00 0.00 62.75 62.29 1xsb n ILE 40 Cb 0.00 -0.55 0.07 0.00 -1.74 0.00 0.00 39.64 37.42 1xsb n ILE 40 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1xsb n HIS 41 N -0.93 -2.36 -1.83 4.28 8.25 -1.20 -4.96 115.22 116.46 1xsb n HIS 41 Ca 0.16 0.83 -0.33 0.00 -0.26 0.00 0.00 57.72 58.12 1xsb n HIS 41 Cb 0.07 -4.33 0.04 0.00 1.12 0.00 0.00 29.99 26.89 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 -3.26 2.66 -0.13 4.41 -3.43 -1.26 -4.53 115.29 109.73 1xsb s HIS 42 Ca 0.47 1.55 -0.04 0.00 -0.80 0.00 0.00 55.06 56.23 1xsb s HIS 42 Cb -0.21 -3.17 -0.03 0.00 -1.43 0.00 0.00 32.58 27.74 1xsb s HIS 42 CO 0.60 -1.63 0.01 -1.58 -2.00 0.00 0.00 174.74 170.14 1xsb s TRP 43 N -2.29 3.17 0.04 0.38 0.52 -1.25 -3.12 118.94 116.38 1xsb s TRP 43 Ca 0.67 0.04 -0.20 0.00 0.02 0.00 0.00 56.10 56.63 1xsb s TRP 43 Cb -0.20 -1.93 0.04 0.00 -1.15 0.00 0.00 33.47 30.23 1xsb s TRP 43 CO 0.40 0.25 0.45 0.95 0.02 0.00 0.00 176.95 179.02 1xsb s THR 44 N -0.18 0.04 0.65 2.01 -4.23 -1.09 -4.36 115.64 108.47 1xsb s THR 44 Ca 0.05 -0.37 -0.16 0.00 -1.18 0.00 0.00 61.69 60.04 1xsb s THR 44 Cb -0.12 -0.94 -0.01 0.00 1.34 0.00 0.00 72.50 72.77 1xsb s THR 44 CO 0.02 -0.20 1.12 -2.16 -0.54 0.00 0.00 174.62 172.85 1xsb s PRO 45 N -2.32 2.83 -0.37 3.99 0.04 -1.26 -2.58 135.00 135.32 1xsb s PRO 45 Ca -0.06 1.44 -0.38 0.00 0.04 0.00 0.00 61.00 62.04 1xsb s PRO 45 Cb -0.01 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.45 1xsb s PRO 45 CO -0.01 -1.23 2.14 -2.30 0.04 0.00 0.00 177.00 175.63 1xsb n PRO 46 N -2.30 0.86 -4.30 0.56 -0.02 -1.26 -4.80 135.00 123.74 1xsb n PRO 46 Ca 0.11 0.24 -0.32 0.00 -2.02 0.00 0.00 63.50 61.51 1xsb n PRO 46 Cb 0.52 -2.22 -0.09 0.00 -0.02 0.00 0.00 33.50 31.68 1xsb n PRO 46 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1xsb s LYS 47 N 5.92 2.69 0.34 -0.52 1.02 -1.26 -1.92 119.74 126.01 1xsb s LYS 47 Ca 1.11 -0.68 -0.02 0.00 0.02 0.00 0.00 55.97 56.40 1xsb s LYS 47 Cb -1.01 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 33.69 1xsb s LYS 47 CO 0.54 0.60 0.46 0.20 -0.92 0.00 0.00 175.35 176.24 1xsb s GLY 48 N -1.66 1.52 -0.10 -3.33 0.00 -0.98 -4.95 107.32 97.82 1xsb s GLY 48 Ca 0.20 -1.54 0.02 0.00 0.00 0.00 0.00 44.72 43.40 1xsb s GLY 48 CO 0.11 -1.02 -0.15 -1.58 0.00 0.00 0.00 173.10 170.46 1xsb s HIS 49 N -3.11 2.74 0.23 1.90 2.46 -1.26 -1.70 115.29 116.56 1xsb s HIS 49 Ca 0.31 -0.50 -0.30 0.00 0.47 0.00 0.00 55.06 55.05 1xsb s HIS 49 Cb -0.00 -1.75 -0.09 0.00 -0.13 0.00 0.00 32.58 30.61 1xsb s HIS 49 CO 0.20 -0.08 1.03 0.54 -2.47 0.00 0.00 174.74 173.96 1xsb s VAL 50 N -0.05 3.85 0.63 0.89 0.11 -1.25 -4.91 120.40 119.67 1xsb s VAL 50 Ca -0.03 1.78 -0.11 0.00 -2.93 0.00 0.00 61.98 60.69 1xsb s VAL 50 Cb -0.14 -4.13 0.15 0.00 -1.53 0.00 0.00 36.38 30.72 1xsb s VAL 50 CO 0.04 0.39 0.78 -0.62 -3.33 0.00 0.00 175.10 172.36 1xsb n GLU 51 N 1.64 -1.12 0.00 1.54 4.71 -1.26 -4.93 120.64 121.22 1xsb n GLU 51 Ca -0.00 -1.21 0.00 0.00 -0.01 0.00 0.00 57.16 55.94 1xsb n GLU 51 Cb 0.46 -0.87 0.00 0.00 -1.01 0.00 0.00 31.44 30.02 1xsb n GLU 51 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 1xsb n PRO 52 N -2.89 0.00 0.00 3.49 -0.02 -1.26 -2.71 135.00 131.61 1xsb n PRO 52 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1xsb n PRO 52 Cb 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.83 1xsb n PRO 52 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xsb n GLY 53 N 0.00 0.18 3.73 -1.23 0.00 -1.26 -4.83 105.19 101.78 1xsb n GLY 53 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.47 2.41 0.77 1.61 2.12 -1.10 -4.96 118.70 118.07 1xsb s GLU 54 Ca 0.00 1.95 -0.11 0.00 0.36 0.00 0.00 54.97 57.17 1xsb s GLU 54 Cb 0.00 -1.84 0.05 0.00 0.26 0.00 0.00 34.13 32.60 1xsb s GLU 54 CO 0.00 -1.67 1.08 0.34 -0.54 0.00 0.00 175.26 174.47 1xsb s ASP 55 N -1.62 4.61 -0.05 -1.70 2.15 -1.26 -4.72 116.67 114.08 1xsb s ASP 55 Ca 0.79 1.68 -0.23 0.00 0.43 0.00 0.00 52.55 55.22 1xsb s ASP 55 Cb -0.34 -2.43 -0.27 0.00 -0.30 0.00 0.00 42.92 39.58 1xsb s ASP 55 CO 0.41 -1.94 0.96 0.44 -0.17 0.00 0.00 175.17 174.87 1xsb h ASP 56 N -1.07 0.33 -0.05 -0.34 3.45 -1.97 -2.95 116.42 113.83 1xsb h ASP 56 Ca -0.45 -0.87 -0.07 0.00 0.43 0.00 0.00 57.03 56.08 1xsb h ASP 56 Cb 1.23 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.90 1xsb h ASP 56 CO 0.54 1.17 -0.24 0.25 -1.57 0.00 0.00 179.24 179.38 1xsb h LEU 57 N -0.46 0.29 -1.22 1.55 5.85 -1.97 -3.01 115.31 116.35 1xsb h LEU 57 Ca -0.07 -0.66 0.18 0.00 0.84 0.00 0.00 57.88 58.16 1xsb h LEU 57 Cb 1.28 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.14 1xsb h LEU 57 CO 0.09 0.91 0.61 -0.33 -0.34 0.00 0.00 178.44 179.38 1xsb h GLU 58 N -0.30 0.64 -0.60 1.25 3.07 -1.97 0.81 114.58 117.48 1xsb h GLU 58 Ca -0.02 -0.04 0.03 0.00 -0.50 0.00 0.00 59.36 58.84 1xsb h GLU 58 Cb 0.91 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.63 1xsb h GLU 58 CO 0.05 0.42 0.36 1.15 -1.40 0.00 0.00 179.01 179.59 1xsb h THR 59 N 0.66 1.05 -0.57 1.13 2.02 -1.44 1.02 112.91 116.78 1xsb h THR 59 Ca 0.51 -0.24 -0.07 0.00 0.77 0.00 0.00 66.41 67.38 1xsb h THR 59 Cb 0.92 0.29 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 1xsb h THR 59 CO -0.27 0.13 0.07 0.00 0.37 0.00 0.00 175.52 175.81 1xsb h ALA 60 N 1.27 0.76 0.23 6.16 0.00 0.51 0.31 119.26 128.50 1xsb h ALA 60 Ca 0.25 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xsb h ALA 60 Cb 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1xsb h ALA 60 CO -0.12 0.53 -0.11 -0.07 0.00 0.00 0.00 179.25 179.49 1xsb h LEU 61 N 0.85 -0.26 -0.90 0.00 3.38 0.13 0.93 115.31 119.44 1xsb h LEU 61 Ca 0.17 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1xsb h LEU 61 Cb 0.45 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.23 1xsb h LEU 61 CO 0.02 -0.16 0.54 -0.09 0.09 0.00 0.00 178.44 178.84 1xsb h ARG 62 N -0.34 1.23 -0.06 1.13 2.43 0.12 -1.95 114.38 116.94 1xsb h ARG 62 Ca -0.03 -0.11 -0.14 0.00 -0.81 0.00 0.00 59.98 58.88 1xsb h ARG 62 Cb 0.26 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1xsb h ARG 62 CO 0.05 0.86 -0.61 0.00 -1.51 0.00 0.00 179.97 178.76 1xsb h ALA 63 N 1.30 0.86 -0.33 2.80 0.00 0.02 -1.49 119.26 122.42 1xsb h ALA 63 Ca 0.32 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1xsb h ALA 63 Cb -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1xsb h ALA 63 CO -0.06 0.74 0.21 1.15 0.00 0.00 0.00 179.25 181.29 1xsb h THR 64 N 0.15 1.09 0.16 0.00 2.02 0.16 -0.71 112.91 115.78 1xsb h THR 64 Ca -0.01 -0.18 -0.30 0.00 0.77 0.00 0.00 66.41 66.70 1xsb h THR 64 Cb 1.11 0.62 0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1xsb h THR 64 CO 0.09 0.09 -1.29 0.06 0.37 0.00 0.00 175.52 174.84 1xsb h GLN 65 N 0.44 0.49 -0.59 6.66 3.07 -0.52 0.64 115.11 125.28 1xsb h GLN 65 Ca 0.12 -0.73 -0.02 0.00 0.09 0.00 0.00 58.65 58.11 1xsb h GLN 65 Cb -0.04 0.26 -0.03 0.00 0.08 0.00 0.00 27.48 27.75 1xsb h GLN 65 CO -0.02 1.33 0.29 0.93 0.09 0.00 0.00 178.83 181.45 1xsb h GLU 66 N 0.18 0.83 -0.02 0.06 4.39 -1.15 3.06 114.58 121.92 1xsb h GLU 66 Ca -0.19 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1xsb h GLU 66 Cb 1.98 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 30.47 1xsb h GLU 66 CO 0.24 0.63 -0.06 0.39 -1.16 0.00 0.00 179.01 179.05 1xsb n GLU 67 N -4.37 1.61 0.00 2.33 1.02 -0.28 -4.53 120.64 116.42 1xsb n GLU 67 Ca 0.05 -1.51 0.00 0.00 -0.02 0.00 0.00 57.16 55.68 1xsb n GLU 67 Cb 0.12 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 0.89 0.74 -0.21 0.62 0.00 0.18 -4.26 120.51 118.46 1xsb n ALA 68 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1xsb n ALA 68 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 0.31 0.71 3.59 0.00 0.00 1.02 0.47 105.19 111.29 1xsb n GLY 69 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1xsb n GLY 69 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xsb s ILE 70 N -2.50 4.91 0.41 -0.61 1.01 -1.21 -4.73 121.20 118.48 1xsb s ILE 70 Ca 0.00 0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.75 1xsb s ILE 70 Cb 0.00 -3.27 -0.06 0.00 0.01 0.00 0.00 42.46 39.14 1xsb s ILE 70 CO 0.00 0.37 0.12 -1.83 0.00 0.00 0.00 174.94 173.60 1xsb s GLU 71 N 1.04 2.14 0.44 2.79 -1.05 -1.26 -0.75 118.70 122.05 1xsb s GLU 71 Ca 0.06 -1.91 0.22 0.00 -0.15 0.00 0.00 54.97 53.18 1xsb s GLU 71 Cb -0.14 -1.88 1.20 0.00 -0.44 0.00 0.00 34.13 32.87 1xsb s GLU 71 CO 0.04 -0.08 1.83 0.00 0.95 0.00 0.00 175.26 178.00 1xsb h ALA 72 N 1.56 2.40 0.00 -0.84 0.00 -1.85 2.44 119.26 122.97 1xsb h ALA 72 Ca -0.43 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xsb h ALA 72 Cb 1.25 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1xsb h ALA 72 CO 0.73 -0.73 -0.01 0.78 0.00 0.00 0.00 179.25 180.02 1xsb h GLY 73 N 0.30 0.00 0.00 0.00 0.00 -1.98 -1.89 103.07 99.49 1xsb h GLY 73 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.84 1xsb h GLY 73 CO -0.17 0.00 -0.95 -0.18 0.00 0.00 0.00 176.54 175.24 1xsb n GLN 74 N -3.21 1.78 -3.33 4.80 -0.06 0.80 -5.01 117.38 113.15 1xsb n GLN 74 Ca -0.02 -0.04 -0.15 0.00 -2.00 0.00 0.00 57.00 54.79 1xsb n GLN 74 Cb 0.13 -1.22 -0.04 0.00 -4.06 0.00 0.00 30.24 25.05 1xsb n GLN 74 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 1xsb n LEU 75 N -1.53 0.00 -3.86 1.69 -0.00 0.34 -0.56 117.00 113.08 1xsb n LEU 75 Ca 0.01 -1.65 -0.29 0.00 -0.00 0.00 0.00 56.01 54.08 1xsb n LEU 75 Cb 0.27 0.37 -0.16 0.00 -0.00 0.00 0.00 43.42 43.90 1xsb n LEU 75 CO 0.29 -0.24 -0.41 -0.89 -0.00 0.00 0.00 177.39 176.14 1xsb s THR 76 N -2.16 1.09 0.09 1.47 2.01 0.70 -4.74 115.64 114.11 1xsb s THR 76 Ca 0.06 -0.83 -0.30 0.00 0.31 0.00 0.00 61.69 60.93 1xsb s THR 76 Cb 0.00 -1.40 -0.05 0.00 0.01 0.00 0.00 72.50 71.06 1xsb s THR 76 CO 0.04 -0.06 0.97 -0.63 -0.69 0.00 0.00 174.62 174.25 1xsb s ILE 77 N 1.61 4.55 0.10 1.82 -1.09 -1.26 -1.57 121.20 125.37 1xsb s ILE 77 Ca -0.02 2.06 -0.14 0.00 -2.23 0.00 0.00 60.65 60.31 1xsb s ILE 77 Cb -0.17 -4.31 -0.06 0.00 -1.58 0.00 0.00 42.46 36.33 1xsb s ILE 77 CO -0.07 0.29 0.50 -0.63 -1.23 0.00 0.00 174.94 173.79 1xsb s ILE 78 N 0.19 4.92 0.11 2.92 1.09 0.66 -4.98 121.20 126.10 1xsb s ILE 78 Ca 0.48 0.79 0.03 0.00 -1.10 0.00 0.00 60.65 60.85 1xsb s ILE 78 Cb -0.23 -3.73 -0.04 0.00 -1.06 0.00 0.00 42.46 37.40 1xsb s ILE 78 CO 0.30 0.33 0.13 -1.61 -0.10 0.00 0.00 174.94 173.99 1xsb s GLU 79 N -1.73 2.99 0.00 2.79 2.02 -1.26 -4.43 118.70 119.08 1xsb s GLU 79 Ca 0.34 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.62 1xsb s GLU 79 Cb -0.15 -2.76 0.00 0.00 0.10 0.00 0.00 34.13 31.32 1xsb s GLU 79 CO 0.18 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.41 1xsb n GLY 80 N 0.13 3.14 3.42 -1.39 0.00 -1.26 -5.04 105.19 104.19 1xsb n GLY 80 Ca -0.08 0.00 -0.35 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 -2.81 3.01 -0.17 1.61 2.19 -1.26 -5.08 117.98 115.47 1xsb s PHE 81 Ca 0.00 -0.54 -0.11 0.00 0.33 0.00 0.00 56.93 56.61 1xsb s PHE 81 Cb 0.00 -2.06 0.06 0.00 -1.31 0.00 0.00 43.02 39.70 1xsb s PHE 81 CO 0.00 -0.27 0.43 0.21 1.83 0.00 0.00 175.22 177.41 1xsb s LYS 82 N 0.99 0.43 -0.27 10.12 2.20 -1.26 -4.65 119.74 127.30 1xsb s LYS 82 Ca 0.01 0.77 -0.25 0.00 -0.36 0.00 0.00 55.97 56.14 1xsb s LYS 82 Cb -0.14 0.04 0.07 0.00 -1.51 0.00 0.00 37.83 36.28 1xsb s LYS 82 CO 0.01 -0.14 0.71 0.50 -0.36 0.00 0.00 175.35 176.08 1xsb s ARG 83 N 1.16 0.84 -0.05 4.03 3.52 -1.25 -5.03 118.95 122.17 1xsb s ARG 83 Ca -0.08 0.98 0.06 0.00 -0.13 0.00 0.00 55.73 56.57 1xsb s ARG 83 Cb -0.07 0.41 -0.01 0.00 -1.56 0.00 0.00 34.95 33.72 1xsb s ARG 83 CO -0.10 -0.10 -0.24 -1.83 -0.81 0.00 0.00 175.30 172.22 1xsb s GLU 84 N 0.36 2.39 -0.30 5.12 1.03 -1.24 -1.18 118.70 124.87 1xsb s GLU 84 Ca -0.00 -0.85 -0.19 0.00 0.03 0.00 0.00 54.97 53.96 1xsb s GLU 84 Cb -0.05 -2.04 -0.01 0.00 -0.80 0.00 0.00 34.13 31.22 1xsb s GLU 84 CO 0.01 0.36 0.55 -0.51 -1.33 0.00 0.00 175.26 174.35 1xsb s LEU 85 N -0.15 4.16 -0.16 1.83 1.43 0.34 -4.70 118.68 121.44 1xsb s LEU 85 Ca -0.03 0.33 -0.01 0.00 -1.03 0.00 0.00 54.13 53.39 1xsb s LEU 85 Cb -0.13 -2.69 -0.01 0.00 0.03 0.00 0.00 46.19 43.39 1xsb s LEU 85 CO 0.03 -0.41 -0.13 0.20 0.23 0.00 0.00 176.35 176.28 1xsb s ASN 86 N 1.65 3.87 -0.04 2.29 -0.87 -1.26 -0.85 114.94 119.74 1xsb s ASN 86 Ca 0.22 -0.42 -0.29 0.00 -1.57 0.00 0.00 52.86 50.80 1xsb s ASN 86 Cb -0.15 -1.61 0.09 0.00 -0.02 0.00 0.00 41.25 39.56 1xsb s ASN 86 CO 0.11 0.09 0.79 -0.72 -2.57 0.00 0.00 177.10 174.80 1xsb s TYR 87 N 0.82 -0.50 -0.40 2.20 -0.85 -1.15 -4.93 117.35 112.55 1xsb s TYR 87 Ca -0.04 0.70 -0.08 0.00 -0.52 0.00 0.00 57.07 57.12 1xsb s TYR 87 Cb -0.15 0.47 0.07 0.00 0.38 0.00 0.00 41.96 42.73 1xsb s TYR 87 CO 0.00 -0.56 0.21 0.54 -1.52 0.00 0.00 175.55 174.22 1xsb s VAL 88 N -1.94 4.05 0.00 -3.49 0.11 -1.26 -1.38 120.40 116.49 1xsb s VAL 88 Ca -0.04 -1.36 0.00 0.00 -2.93 0.00 0.00 61.98 57.65 1xsb s VAL 88 Cb -0.00 -3.45 0.00 0.00 -1.53 0.00 0.00 36.38 31.40 1xsb s VAL 88 CO 0.00 -0.43 0.00 0.00 -3.33 0.00 0.00 175.10 171.35 1xsb n ALA 89 N 4.87 0.00 -0.20 1.54 0.00 -1.24 -4.53 120.51 120.94 1xsb n ALA 89 Ca -0.10 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.29 1xsb n ALA 89 Cb 0.43 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.93 1xsb n ALA 89 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 1xsb h ARG 90 N 0.00 0.70 0.00 0.00 0.11 -2.04 -3.43 114.38 109.71 1xsb h ARG 90 Ca 0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1xsb h ARG 90 Cb 0.00 -0.16 0.00 0.00 1.11 0.00 0.00 29.97 30.92 1xsb h ARG 90 CO 0.00 0.46 0.00 0.09 0.10 0.00 0.00 179.97 180.62 1xsb n ASN 91 N -4.73 0.00 -3.76 0.08 5.03 -1.26 -5.13 115.26 105.48 1xsb n ASN 91 Ca 0.05 0.00 -0.18 0.00 0.87 0.00 0.00 54.58 55.32 1xsb n ASN 91 Cb 0.07 0.00 -0.17 0.00 -1.02 0.00 0.00 39.78 38.66 1xsb n ASN 91 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1xsb s LYS 92 N 0.00 0.15 -0.07 3.52 2.47 -1.26 -4.52 119.74 120.03 1xsb s LYS 92 Ca 0.00 0.19 -0.30 0.00 -1.56 0.00 0.00 55.97 54.30 1xsb s LYS 92 Cb 0.00 -0.49 -0.03 0.00 -1.46 0.00 0.00 37.83 35.85 1xsb s LYS 92 CO 0.00 -0.21 1.26 -1.25 0.16 0.00 0.00 175.35 175.31 1xsb s PRO 93 N 1.44 4.31 -0.18 4.03 0.04 -1.26 -3.70 135.00 139.67 1xsb s PRO 93 Ca -0.04 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 62.72 1xsb s PRO 93 Cb -0.13 -3.62 -0.00 0.00 0.04 0.00 0.00 34.50 30.78 1xsb s PRO 93 CO -0.03 -0.54 -0.10 0.15 0.04 0.00 0.00 177.00 176.51 1xsb s LYS 94 N 2.62 3.29 -0.23 4.56 1.02 -0.48 0.65 119.74 131.17 1xsb s LYS 94 Ca 0.57 -0.69 -0.21 0.00 0.02 0.00 0.00 55.97 55.67 1xsb s LYS 94 Cb -0.25 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 1xsb s LYS 94 CO 0.21 -0.07 0.63 0.99 -0.92 0.00 0.00 175.35 176.19 1xsb s THR 95 N 1.09 5.00 -0.18 2.17 2.01 -0.66 -2.91 115.64 122.16 1xsb s THR 95 Ca 0.00 1.16 -0.01 0.00 0.31 0.00 0.00 61.69 63.15 1xsb s THR 95 Cb -0.15 -3.94 0.00 0.00 0.01 0.00 0.00 72.50 68.43 1xsb s THR 95 CO -0.03 0.06 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.15 1xsb s VAL 96 N 2.24 2.78 -0.20 3.82 1.01 -0.03 -1.26 120.40 128.77 1xsb s VAL 96 Ca 0.27 -0.71 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 1xsb s VAL 96 Cb -0.16 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.97 1xsb s VAL 96 CO 0.09 0.49 0.12 -0.63 0.00 0.00 0.00 175.10 175.18 1xsb s ILE 97 N 1.10 5.27 -0.10 2.22 -1.09 -1.15 0.13 121.20 127.58 1xsb s ILE 97 Ca 0.00 0.14 0.02 0.00 -2.23 0.00 0.00 60.65 58.59 1xsb s ILE 97 Cb -0.14 -3.41 -0.01 0.00 -1.58 0.00 0.00 42.46 37.31 1xsb s ILE 97 CO -0.04 0.43 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.61 1xsb s TYR 98 N 0.49 2.66 -0.00 3.97 2.02 -0.33 -2.25 117.35 123.91 1xsb s TYR 98 Ca 0.07 -0.74 0.04 0.00 -0.37 0.00 0.00 57.07 56.07 1xsb s TYR 98 Cb -0.12 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.67 1xsb s TYR 98 CO -0.01 -0.24 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.05 1xsb s TRP 99 N 0.17 2.80 0.11 2.71 0.51 -1.25 -3.87 118.94 120.12 1xsb s TRP 99 Ca -0.10 -0.10 -0.30 0.00 -2.12 0.00 0.00 56.10 53.48 1xsb s TRP 99 Cb -0.16 -1.59 -0.06 0.00 -0.81 0.00 0.00 33.47 30.85 1xsb s TRP 99 CO 0.06 0.32 1.08 -0.51 -0.51 0.00 0.00 176.95 177.39 1xsb s LEU 100 N -1.28 4.45 0.09 2.99 1.43 -1.25 -1.62 118.68 123.48 1xsb s LEU 100 Ca 0.15 1.97 0.04 0.00 -1.03 0.00 0.00 54.13 55.26 1xsb s LEU 100 Cb -0.11 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.49 1xsb s LEU 100 CO 0.06 -0.26 -0.11 0.00 0.23 0.00 0.00 176.35 176.26 1xsb s ALA 101 N 0.28 1.17 -0.13 4.21 0.00 0.32 -0.24 121.76 127.36 1xsb s ALA 101 Ca 0.52 -1.15 -0.00 0.00 0.00 0.00 0.00 51.96 51.33 1xsb s ALA 101 Cb -0.27 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 22.86 1xsb s ALA 101 CO 0.32 0.03 -0.09 -2.00 0.00 0.00 0.00 175.76 174.01 1xsb s GLU 102 N -2.50 1.76 0.02 0.00 2.12 -0.61 0.45 118.70 119.95 1xsb s GLU 102 Ca 0.04 -0.38 -0.30 0.00 0.36 0.00 0.00 54.97 54.69 1xsb s GLU 102 Cb -0.05 -1.80 -0.04 0.00 0.26 0.00 0.00 34.13 32.51 1xsb s GLU 102 CO 0.01 -0.28 1.00 0.14 -0.54 0.00 0.00 175.26 175.60 1xsb s VAL 103 N 1.63 4.75 0.21 3.70 -7.23 -1.26 -0.21 120.40 121.99 1xsb s VAL 103 Ca 0.05 2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 62.12 1xsb s VAL 103 Cb -0.13 -4.28 0.16 0.00 0.56 0.00 0.00 36.38 32.69 1xsb s VAL 103 CO -0.09 0.17 1.85 0.11 -0.31 0.00 0.00 175.10 176.82 1xsb h LYS 104 N 6.70 0.84 -5.82 4.82 1.57 -1.17 -3.42 116.57 120.09 1xsb h LYS 104 Ca -0.41 -0.05 -0.62 0.00 -1.87 0.00 0.00 60.65 57.69 1xsb h LYS 104 Cb 1.22 -0.19 -0.07 0.00 0.08 0.00 0.00 32.23 33.27 1xsb h LYS 104 CO 0.75 0.56 -0.30 -0.51 -0.57 0.00 0.00 179.45 179.38 1xsb s ASP 105 N -5.74 6.63 0.12 0.86 -0.00 -1.26 -4.97 116.67 112.31 1xsb s ASP 105 Ca -0.13 0.75 -0.14 0.00 -0.00 0.00 0.00 52.55 53.03 1xsb s ASP 105 Cb 0.16 -2.19 -0.05 0.00 -0.00 0.00 0.00 42.92 40.84 1xsb s ASP 105 CO 0.77 0.31 1.48 0.22 -0.00 0.00 0.00 175.17 177.96 1xsb h TYR 106 N 5.09 0.89 -0.46 4.23 3.20 -2.01 -2.21 116.97 125.70 1xsb h TYR 106 Ca -0.51 -0.23 0.00 0.00 3.14 0.00 0.00 58.73 61.13 1xsb h TYR 106 Cb 1.21 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.28 1xsb h TYR 106 CO 0.71 0.97 0.00 -3.47 -1.64 0.00 0.00 178.16 174.73 1xsb n ASP 107 N -4.28 4.80 -4.04 -2.11 4.64 -1.26 -4.98 116.55 109.32 1xsb n ASP 107 Ca -0.02 -2.74 -0.38 0.00 -1.38 0.00 0.00 54.79 50.27 1xsb n ASP 107 Cb 0.42 -0.65 0.00 0.00 -1.04 0.00 0.00 41.12 39.86 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 0.51 0.23 -1.98 5.18 3.14 -0.83 -4.74 118.33 119.84 1xsb n VAL 108 Ca 0.22 -0.47 -0.39 0.00 -2.96 0.00 0.00 64.34 60.74 1xsb n VAL 108 Cb 1.01 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 33.80 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 -0.95 3.74 -0.28 1.45 -1.05 -1.26 -4.99 118.70 115.36 1xsb s GLU 109 Ca 0.55 2.17 0.02 0.00 -0.15 0.00 0.00 54.97 57.55 1xsb s GLU 109 Cb -0.52 -2.60 0.08 0.00 -0.44 0.00 0.00 34.13 30.64 1xsb s GLU 109 CO 0.61 -0.69 -0.01 0.42 0.95 0.00 0.00 175.26 176.54 1xsb s ILE 110 N -1.30 1.72 -0.21 1.83 -1.09 -1.25 -4.40 121.20 116.50 1xsb s ILE 110 Ca 0.61 -1.61 -0.09 0.00 -2.23 0.00 0.00 60.65 57.34 1xsb s ILE 110 Cb -0.38 -2.08 -0.04 0.00 -1.58 0.00 0.00 42.46 38.37 1xsb s ILE 110 CO 0.48 -0.31 0.10 -0.13 -1.23 0.00 0.00 174.94 173.85 1xsb s ARG 111 N 1.26 4.00 -0.04 2.79 1.81 1.66 -4.92 118.95 125.51 1xsb s ARG 111 Ca 0.01 -0.32 0.03 0.00 -1.72 0.00 0.00 55.73 53.73 1xsb s ARG 111 Cb -0.19 -3.35 -0.03 0.00 -0.45 0.00 0.00 34.95 30.93 1xsb s ARG 111 CO -0.09 0.17 -0.12 -0.51 -0.68 0.00 0.00 175.30 174.06 1xsb s LEU 112 N 0.70 2.88 0.76 2.53 1.43 -1.26 -1.26 118.68 124.47 1xsb s LEU 112 Ca 0.05 -0.16 -0.08 0.00 -1.03 0.00 0.00 54.13 52.91 1xsb s LEU 112 Cb -0.13 -1.62 0.10 0.00 0.03 0.00 0.00 46.19 44.58 1xsb s LEU 112 CO 0.02 0.34 1.08 -0.55 0.23 0.00 0.00 176.35 177.46 1xsb s SER 113 N -0.89 4.39 0.44 2.29 0.15 -1.26 -4.86 113.70 113.96 1xsb s SER 113 Ca 0.13 0.31 0.19 0.00 0.70 0.00 0.00 55.95 57.27 1xsb s SER 113 Cb -0.11 -0.79 1.13 0.00 -1.71 0.00 0.00 66.02 64.55 1xsb s SER 113 CO 0.02 -1.88 1.88 -0.74 1.20 0.00 0.00 173.24 173.72 1xsb h HIS 114 N -0.82 0.45 -0.41 3.44 2.76 -2.00 0.24 115.15 118.81 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 1.29 -0.14 -0.02 0.00 1.55 0.00 0.00 27.41 30.10 1xsb h HIS 114 CO -0.04 0.13 0.20 0.93 -1.30 0.00 0.00 177.93 177.84 1xsb h GLU 115 N 0.35 0.56 -5.53 5.26 4.39 -1.95 -3.40 114.58 114.26 1xsb h GLU 115 Ca 0.43 -0.06 -0.64 0.00 0.34 0.00 0.00 59.36 59.43 1xsb h GLU 115 Cb 1.15 -0.11 -0.16 0.00 -0.10 0.00 0.00 28.75 29.53 1xsb h GLU 115 CO -0.14 0.44 -0.59 -1.01 -1.16 0.00 0.00 179.01 176.55 1xsb s HIS 116 N -5.34 3.22 -0.22 4.33 3.76 0.83 -0.99 115.29 120.87 1xsb s HIS 116 Ca -0.08 0.09 0.06 0.00 -0.15 0.00 0.00 55.06 54.97 1xsb s HIS 116 Cb 0.17 -1.96 -0.17 0.00 1.11 0.00 0.00 32.58 31.73 1xsb s HIS 116 CO 0.75 0.27 -0.13 0.94 -0.85 0.00 0.00 174.74 175.71 1xsb n GLN 117 N 2.96 0.70 -3.61 1.40 7.27 0.47 -4.17 117.38 122.41 1xsb n GLN 117 Ca -0.18 0.10 -0.12 0.00 0.07 0.00 0.00 57.00 56.87 1xsb n GLN 117 Cb 0.53 -1.47 -0.05 0.00 2.41 0.00 0.00 30.24 31.66 1xsb n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1xsb s ALA 118 N -2.46 -1.08 0.15 1.69 0.00 -1.18 -4.95 121.76 113.94 1xsb s ALA 118 Ca -0.25 0.19 0.06 0.00 0.00 0.00 0.00 51.96 51.95 1xsb s ALA 118 Cb 0.07 0.58 -0.04 0.00 0.00 0.00 0.00 23.12 23.73 1xsb s ALA 118 CO 0.59 -0.59 -0.12 1.52 0.00 0.00 0.00 175.76 177.16 1xsb s TYR 119 N -3.28 1.40 0.03 0.00 1.13 -1.26 0.40 117.35 115.78 1xsb s TYR 119 Ca -0.00 -0.65 0.00 0.00 -1.41 0.00 0.00 57.07 55.00 1xsb s TYR 119 Cb 0.01 -0.70 -0.03 0.00 -1.10 0.00 0.00 41.96 40.14 1xsb s TYR 119 CO -0.08 0.16 -0.04 1.03 -2.51 0.00 0.00 175.55 174.12 1xsb s ARG 120 N -3.39 0.44 -0.36 -3.49 0.52 -0.71 -4.96 118.95 106.99 1xsb s ARG 120 Ca 0.16 -0.82 -0.06 0.00 -0.52 0.00 0.00 55.73 54.48 1xsb s ARG 120 Cb -0.00 0.08 0.06 0.00 0.52 0.00 0.00 34.95 35.60 1xsb s ARG 120 CO 0.03 -0.05 0.14 -1.58 0.02 0.00 0.00 175.30 173.85 1xsb s TRP 121 N -2.21 3.32 0.35 -0.53 0.52 -1.26 -2.97 118.94 116.15 1xsb s TRP 121 Ca -0.08 -1.62 0.04 0.00 0.02 0.00 0.00 56.10 54.45 1xsb s TRP 121 Cb -0.04 -2.52 -0.05 0.00 -1.15 0.00 0.00 33.47 29.70 1xsb s TRP 121 CO -0.03 -0.79 0.08 -0.51 0.02 0.00 0.00 176.95 175.71 1xsb s LEU 122 N 1.36 2.11 0.00 2.99 1.02 -1.25 -4.93 118.68 119.98 1xsb s LEU 122 Ca 0.00 -1.47 -0.13 0.00 0.02 0.00 0.00 54.13 52.55 1xsb s LEU 122 Cb -0.21 -0.30 0.19 0.00 0.02 0.00 0.00 46.19 45.90 1xsb s LEU 122 CO 0.01 -0.71 1.17 0.61 0.02 0.00 0.00 176.35 177.45 1xsb n GLY 123 N -0.76 -1.08 0.36 -3.19 0.00 -1.26 -1.57 105.19 97.68 1xsb n GLY 123 Ca -0.04 -1.77 0.02 0.00 0.00 0.00 0.00 46.02 44.24 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 0.99 0.42 0.99 5.85 -1.88 0.44 115.31 122.13 1xsb h LEU 124 Ca -0.38 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 1xsb h LEU 124 Cb 1.10 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 1xsb h LEU 124 CO 0.29 0.64 -0.25 1.05 -0.34 0.00 0.00 178.44 179.83 1xsb h GLU 125 N 1.13 -0.61 -0.03 1.25 4.11 -1.95 0.36 114.58 118.84 1xsb h GLU 125 Ca 0.42 0.04 -0.01 0.00 0.07 0.00 0.00 59.36 59.87 1xsb h GLU 125 Cb 0.16 0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 1xsb h GLU 125 CO -0.17 -0.41 -0.03 0.93 0.07 0.00 0.00 179.01 179.40 1xsb h GLU 126 N -0.63 0.08 -0.97 1.06 3.07 -1.86 0.76 114.58 116.08 1xsb h GLU 126 Ca -0.05 -0.04 0.24 0.00 -0.50 0.00 0.00 59.36 59.00 1xsb h GLU 126 Cb 0.51 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.35 1xsb h GLU 126 CO 0.06 0.54 0.64 0.00 -1.40 0.00 0.00 179.01 178.85 1xsb h ALA 127 N 0.54 2.26 0.07 3.43 0.00 -0.07 0.68 119.26 126.17 1xsb h ALA 127 Ca 0.01 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 54.71 1xsb h ALA 127 Cb 0.52 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.33 1xsb h ALA 127 CO 0.01 -0.59 -0.97 0.00 0.00 0.00 0.00 179.25 177.69 1xsb h GLN 129 N 0.10 -0.13 -0.65 0.00 -0.00 0.57 -2.35 115.11 112.65 1xsb h GLN 129 Ca -0.14 0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.45 1xsb h GLN 129 Cb 1.67 0.03 -0.03 0.00 -0.00 0.00 0.00 27.48 29.15 1xsb h GLN 129 CO 0.19 -0.09 0.15 -0.07 -0.00 0.00 0.00 178.83 179.01 1xsb h LEU 130 N -0.13 0.96 -4.60 0.06 3.38 -0.01 -3.01 115.31 111.95 1xsb h LEU 130 Ca 0.01 -0.20 -0.40 0.00 0.09 0.00 0.00 57.88 57.38 1xsb h LEU 130 Cb 0.14 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1xsb h LEU 130 CO -0.03 0.93 1.74 0.00 0.09 0.00 0.00 178.44 181.18 1xsb n ALA 131 N -2.46 6.51 -0.45 1.53 0.00 -0.44 -3.90 120.51 121.30 1xsb n ALA 131 Ca 0.05 -2.49 0.37 0.00 0.00 0.00 0.00 53.44 51.37 1xsb n ALA 131 Cb 0.25 -2.83 0.62 0.00 0.00 0.00 0.00 19.45 17.49 1xsb n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xsb n GLN 132 N 3.14 -0.03 -1.84 0.00 -0.00 -1.14 -4.16 117.38 113.36 1xsb n GLN 132 Ca 0.57 1.07 -0.42 0.00 -0.00 0.00 0.00 57.00 58.22 1xsb n GLN 132 Cb 0.51 -2.17 -0.03 0.00 -0.00 0.00 0.00 30.24 28.56 1xsb n GLN 132 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1xsb s PHE 133 N -4.96 2.51 0.24 2.61 0.08 -1.26 -4.86 117.98 112.33 1xsb s PHE 133 Ca -0.06 0.27 -0.06 0.00 0.12 0.00 0.00 56.93 57.20 1xsb s PHE 133 Cb 0.26 -4.05 0.30 0.00 -0.57 0.00 0.00 43.02 38.97 1xsb s PHE 133 CO 0.73 -4.15 1.89 -0.22 -0.10 0.00 0.00 175.22 173.36 1xsb h LYS 134 N 7.96 1.10 -0.98 0.44 3.64 -1.97 -2.34 116.57 124.42 1xsb h LYS 134 Ca -0.44 -0.07 0.16 0.00 -1.27 0.00 0.00 60.65 59.03 1xsb h LYS 134 Cb 1.21 -0.25 -0.10 0.00 -0.41 0.00 0.00 32.23 32.68 1xsb h LYS 134 CO 0.94 0.73 0.60 0.93 -2.27 0.00 0.00 179.45 180.37 1xsb h GLU 135 N 1.13 0.82 -0.05 1.90 3.07 -1.89 0.03 114.58 119.59 1xsb h GLU 135 Ca 0.37 -0.05 -0.23 0.00 -0.50 0.00 0.00 59.36 58.95 1xsb h GLU 135 Cb 0.03 -0.18 0.01 0.00 -0.84 0.00 0.00 28.75 27.76 1xsb h GLU 135 CO -0.13 0.54 -0.89 0.52 -1.40 0.00 0.00 179.01 177.65 1xsb h MET 136 N 0.84 0.57 -1.00 2.33 2.86 -1.71 -0.11 114.93 118.71 1xsb h MET 136 Ca 0.53 -0.55 0.10 0.00 -2.06 0.00 0.00 59.70 57.73 1xsb h MET 136 Cb 0.70 0.14 -0.08 0.00 0.06 0.00 0.00 31.60 32.42 1xsb h MET 136 CO -0.33 1.17 0.64 0.87 1.06 0.00 0.00 176.91 180.32 1xsb h LYS 137 N 0.35 1.03 -0.08 1.72 6.56 -0.61 0.83 116.57 126.36 1xsb h LYS 137 Ca -0.08 -0.06 -0.16 0.00 -1.06 0.00 0.00 60.65 59.29 1xsb h LYS 137 Cb 1.52 -0.23 0.01 0.00 -0.57 0.00 0.00 32.23 32.95 1xsb h LYS 137 CO 0.17 0.68 -0.59 0.00 -2.06 0.00 0.00 179.45 177.65 1xsb h ALA 138 N 1.51 0.18 -0.40 3.86 0.00 -1.05 0.67 119.26 124.03 1xsb h ALA 138 Ca 0.47 -0.54 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1xsb h ALA 138 Cb 0.38 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1xsb h ALA 138 CO -0.23 0.43 0.23 0.00 0.00 0.00 0.00 179.25 179.68 1xsb h ALA 139 N 0.45 0.51 -0.10 0.00 0.00 0.19 4.12 119.26 124.43 1xsb h ALA 139 Ca -0.05 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 1xsb h ALA 139 Cb 1.24 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1xsb h ALA 139 CO 0.12 -0.11 -0.38 -0.07 0.00 0.00 0.00 179.25 178.80 1xsb h LEU 140 N 0.46 0.21 0.03 0.00 3.38 0.67 -0.70 115.31 119.36 1xsb h LEU 140 Ca 0.16 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1xsb h LEU 140 Cb 0.03 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1xsb h LEU 140 CO -0.09 0.58 -0.02 1.56 0.09 0.00 0.00 178.44 180.57 1xsb h GLN 141 N 0.18 -0.04 -0.45 1.13 1.08 0.29 -2.94 115.11 114.34 1xsb h GLN 141 Ca 0.02 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 1xsb h GLN 141 Cb 0.76 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.18 1xsb h GLN 141 CO 0.06 0.62 0.09 0.93 -0.95 0.00 0.00 178.83 179.58 1xsb h GLU 142 N -0.91 0.69 0.02 1.46 4.39 0.78 0.50 114.58 121.50 1xsb h GLU 142 Ca -0.00 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.56 1xsb h GLU 142 Cb 0.68 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1xsb h GLU 142 CO 0.01 0.64 -0.01 0.78 -1.16 0.00 0.00 179.01 179.27 1xsb h GLY 143 N 0.89 -0.03 0.98 -3.84 0.00 -1.22 -1.68 103.07 98.18 1xsb h GLY 143 Ca 0.15 0.01 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 1xsb h GLY 143 CO -0.00 -0.01 0.27 0.84 0.00 0.00 0.00 176.54 177.64 1xsb h HIS 144 N -0.11 0.81 -0.79 5.60 -0.00 -1.29 -1.48 115.15 117.88 1xsb h HIS 144 Ca -0.00 -0.04 0.12 0.00 -0.00 0.00 0.00 60.37 60.45 1xsb h HIS 144 Cb 0.10 -0.25 -0.09 0.00 -0.00 0.00 0.00 27.41 27.18 1xsb h HIS 144 CO -0.05 0.62 0.39 0.37 -0.00 0.00 0.00 177.93 179.26 1xsb h GLN 145 N 0.75 0.58 0.00 5.26 5.75 -0.57 -1.38 115.11 125.51 1xsb h GLN 145 Ca 0.19 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1xsb h GLN 145 Cb 0.12 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 28.54 1xsb h GLN 145 CO -0.02 0.38 -0.00 0.35 -2.65 0.00 0.00 178.83 176.89 1xsb h PHE 146 N 0.60 -0.00 -0.86 3.99 3.04 -0.99 -3.20 116.94 119.52 1xsb h PHE 146 Ca 0.41 -0.00 0.20 0.00 3.98 0.00 0.00 57.97 62.56 1xsb h PHE 146 Cb 0.53 0.00 -0.06 0.00 2.56 0.00 0.00 35.95 38.99 1xsb h PHE 146 CO -0.11 0.74 0.58 -0.07 -2.02 0.00 0.00 178.31 177.43 1xsb h LEU 147 N -0.75 0.33 -0.42 0.59 3.38 -0.99 1.60 115.31 119.05 1xsb h LEU 147 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1xsb h LEU 147 Cb 0.74 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1xsb h LEU 147 CO 0.00 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1xsb n SER 149 N -2.06 0.85 0.00 0.00 2.88 0.54 -4.82 113.62 111.02 1xsb n SER 149 Ca 0.03 -0.69 0.00 0.00 -1.33 0.00 0.00 58.87 56.88 1xsb n SER 149 Cb 0.26 0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 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 -0.91 0.00 0.13 2.46 5.41 -0.96 -5.09 119.36 120.40 1xsb n ILE 150 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.85 1xsb n ILE 150 Cb 0.34 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.27 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 -3.62 0.38 2.13 -1.26 -5.13 120.64 113.14 1xsb n GLU 151 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 1xsb n GLU 151 Cb 0.00 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.68 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1xsb s ALA 152 N -1.53 -2.10 -2.00 4.31 0.00 -1.26 -5.14 121.76 114.03 1xsb s ALA 152 Ca 0.00 1.78 0.21 0.00 0.00 0.00 0.00 51.96 53.96 1xsb s ALA 152 Cb 0.00 -0.82 1.28 0.00 0.00 0.00 0.00 23.12 23.58 1xsb s ALA 152 CO 0.00 -0.41 1.66 -0.11 0.00 0.00 0.00 175.76 176.90