#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsb h PRO 2 N 0.00 0.16 -5.75 1.61 0.13 -2.10 -3.42 132.00 122.63 1xsb h PRO 2 Ca 0.00 -0.12 -0.58 0.00 -0.87 0.00 0.00 66.00 64.43 1xsb h PRO 2 Cb 0.00 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 31.07 1xsb h PRO 2 CO 0.00 0.74 -0.05 -1.17 -0.23 0.00 0.00 178.00 177.29 1xsb s LEU 3 N -7.78 4.25 0.00 1.56 2.96 -1.26 -5.03 118.68 113.37 1xsb s LEU 3 Ca -0.03 0.86 -0.03 0.00 -0.22 0.00 0.00 54.13 54.71 1xsb s LEU 3 Cb 0.12 -2.79 0.01 0.00 0.50 0.00 0.00 46.19 44.04 1xsb s LEU 3 CO 0.79 -0.08 0.26 0.61 -1.32 0.00 0.00 176.35 176.61 1xsb n GLY 4 N 3.39 2.22 0.00 7.98 0.00 -1.26 -5.00 105.19 112.52 1xsb n GLY 4 Ca -0.05 -1.32 0.08 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.62 0.00 -4.28 1.61 7.64 -1.26 -4.81 113.62 110.90 1xsb n SER 5 Ca -0.01 -1.35 -0.28 0.00 1.01 0.00 0.00 58.87 58.24 1xsb n SER 5 Cb 0.25 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 63.61 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 0.93 0.45 1.43 -2.45 -1.26 -4.93 119.30 111.46 1xsb s MET 6 Ca 0.24 -0.70 0.00 0.00 -1.25 0.00 0.00 55.69 53.98 1xsb s MET 6 Cb 0.11 -2.01 0.00 0.00 1.25 0.00 0.00 34.83 34.18 1xsb s MET 6 CO 0.19 -2.13 0.00 0.00 1.05 0.00 0.00 175.02 174.13 1xsb n ALA 7 N -3.47 -3.09 -2.81 4.11 0.00 -1.26 -4.83 120.51 109.16 1xsb n ALA 7 Ca 0.16 0.67 -0.36 0.00 0.00 0.00 0.00 53.44 53.91 1xsb n ALA 7 Cb 0.60 -1.29 -0.08 0.00 0.00 0.00 0.00 19.45 18.68 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 -6.60 4.08 0.02 0.00 1.02 -0.87 -5.02 118.68 111.32 1xsb s LEU 8 Ca 0.00 0.31 -0.24 0.00 0.02 0.00 0.00 54.13 54.21 1xsb s LEU 8 Cb 0.00 -1.99 -0.05 0.00 0.02 0.00 0.00 46.19 44.17 1xsb s LEU 8 CO 0.00 0.34 0.74 -0.60 0.02 0.00 0.00 176.35 176.86 1xsb s ARG 9 N -0.65 4.47 0.04 1.70 3.52 -1.26 -2.54 118.95 124.24 1xsb s ARG 9 Ca 0.12 1.01 -0.03 0.00 -0.13 0.00 0.00 55.73 56.70 1xsb s ARG 9 Cb -0.12 -3.38 -0.02 0.00 -1.56 0.00 0.00 34.95 29.87 1xsb s ARG 9 CO 0.02 0.25 0.03 0.00 -0.81 0.00 0.00 175.30 174.79 1xsb s ALA 10 N 0.09 0.18 -0.11 6.12 0.00 -0.31 -3.32 121.76 124.40 1xsb s ALA 10 Ca 0.38 -0.81 -0.04 0.00 0.00 0.00 0.00 51.96 51.48 1xsb s ALA 10 Cb -0.20 0.26 0.05 0.00 0.00 0.00 0.00 23.12 23.23 1xsb s ALA 10 CO 0.22 -0.32 0.23 0.00 0.00 0.00 0.00 175.76 175.89 1xsb s GLY 12 N 1.94 2.58 -0.19 0.00 0.00 -0.89 -3.06 107.32 107.70 1xsb s GLY 12 Ca -0.03 -1.66 0.01 0.00 0.00 0.00 0.00 44.72 43.05 1xsb s GLY 12 CO -0.08 -2.06 -0.17 1.08 0.00 0.00 0.00 173.10 171.87 1xsb s LEU 13 N -3.71 2.35 -0.75 0.66 1.43 -1.21 -3.87 118.68 113.58 1xsb s LEU 13 Ca 0.26 -0.79 -0.24 0.00 -1.03 0.00 0.00 54.13 52.33 1xsb s LEU 13 Cb 0.07 -1.45 0.06 0.00 0.03 0.00 0.00 46.19 44.89 1xsb s LEU 13 CO 0.13 -0.05 1.16 -0.63 0.23 0.00 0.00 176.35 177.19 1xsb s ILE 14 N 1.28 4.07 0.09 -0.59 1.01 -0.69 -4.30 121.20 122.07 1xsb s ILE 14 Ca 0.02 -0.18 -0.22 0.00 0.00 0.00 0.00 60.65 60.27 1xsb s ILE 14 Cb -0.15 -4.83 -0.07 0.00 0.01 0.00 0.00 42.46 37.43 1xsb s ILE 14 CO -0.11 -1.68 0.65 -0.63 0.00 0.00 0.00 174.94 173.17 1xsb s ILE 15 N 4.74 4.65 -0.06 2.92 1.01 -1.26 -0.22 121.20 132.97 1xsb s ILE 15 Ca 0.31 1.39 -0.01 0.00 0.00 0.00 0.00 60.65 62.34 1xsb s ILE 15 Cb -0.11 -3.99 0.03 0.00 0.01 0.00 0.00 42.46 38.40 1xsb s ILE 15 CO 0.09 0.52 0.01 0.72 0.00 0.00 0.00 174.94 176.28 1xsb s PHE 16 N -0.93 0.47 -0.33 3.97 -0.12 1.40 -1.73 117.98 120.71 1xsb s PHE 16 Ca 0.32 -0.04 -0.22 0.00 -0.05 0.00 0.00 56.93 56.94 1xsb s PHE 16 Cb -0.20 -0.66 0.00 0.00 -0.63 0.00 0.00 43.02 41.52 1xsb s PHE 16 CO 0.21 -0.26 0.72 0.50 -0.05 0.00 0.00 175.22 176.34 1xsb s ARG 17 N 1.86 3.85 0.01 1.99 3.52 0.12 -3.85 118.95 126.43 1xsb s ARG 17 Ca 0.02 0.35 -0.19 0.00 -0.13 0.00 0.00 55.73 55.78 1xsb s ARG 17 Cb -0.12 -3.76 -0.06 0.00 -1.56 0.00 0.00 34.95 29.45 1xsb s ARG 17 CO -0.04 -0.70 0.55 0.50 -0.81 0.00 0.00 175.30 174.80 1xsb s ARG 18 N 2.86 4.23 -0.12 5.12 3.52 -1.26 -2.79 118.95 130.52 1xsb s ARG 18 Ca 0.29 0.67 -0.07 0.00 -0.13 0.00 0.00 55.73 56.48 1xsb s ARG 18 Cb -0.14 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 1xsb s ARG 18 CO 0.14 0.47 0.15 0.00 -0.81 0.00 0.00 175.30 175.24 1xsb h LEU 20 N 4.95 0.41 -8.01 0.00 3.38 -1.97 -3.44 115.31 110.64 1xsb h LEU 20 Ca -0.55 0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.37 1xsb h LEU 20 Cb 1.23 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.82 1xsb h LEU 20 CO 0.58 0.25 -0.48 0.27 0.09 0.00 0.00 178.44 179.15 1xsb s ILE 21 N -6.09 0.16 0.69 1.22 -5.25 -1.26 -5.16 121.20 105.51 1xsb s ILE 21 Ca -0.13 -1.45 -0.11 0.00 -0.99 0.00 0.00 60.65 57.98 1xsb s ILE 21 Cb 0.17 -1.48 0.01 0.00 2.95 0.00 0.00 42.46 44.10 1xsb s ILE 21 CO 0.75 -0.72 1.06 -2.16 -1.79 0.00 0.00 174.94 172.08 1xsb s PRO 22 N -3.90 2.97 0.00 0.37 0.05 -1.26 -5.02 135.00 128.21 1xsb s PRO 22 Ca 0.08 0.91 0.00 0.00 0.05 0.00 0.00 61.00 62.04 1xsb s PRO 22 Cb 0.06 -2.00 0.00 0.00 0.05 0.00 0.00 34.50 32.61 1xsb s PRO 22 CO -0.09 -1.06 0.00 1.63 0.05 0.00 0.00 177.00 177.53 1xsb n LYS 23 N -3.10 0.00 0.00 4.56 5.02 -1.26 -4.80 118.16 118.58 1xsb n LYS 23 Ca 0.07 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.42 1xsb n LYS 23 Cb 0.54 0.00 0.29 0.00 -0.02 0.00 0.00 35.03 35.83 1xsb n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xsb n VAL 24 N -1.46 0.68 -3.52 -0.18 0.31 -1.26 -4.83 118.33 108.07 1xsb n VAL 24 Ca 0.00 0.17 -0.20 0.00 -0.01 0.00 0.00 64.34 64.30 1xsb n VAL 24 Cb 0.00 -0.98 0.08 0.00 -0.91 0.00 0.00 33.84 32.03 1xsb n VAL 24 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xsb n ASP 25 N -1.27 -3.80 0.00 4.52 10.43 -1.26 -4.94 116.55 120.23 1xsb n ASP 25 Ca 0.06 -0.60 0.00 0.00 2.57 0.00 0.00 54.79 56.82 1xsb n ASP 25 Cb 0.09 -5.03 0.00 0.00 1.84 0.00 0.00 41.12 38.01 1xsb n ASP 25 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1xsb n ASN 26 N -3.08 0.00 -4.31 -2.24 2.85 -1.26 -5.05 115.26 102.18 1xsb n ASN 26 Ca -0.16 0.00 -0.37 0.00 -0.11 0.00 0.00 54.58 53.94 1xsb n ASN 26 Cb 0.62 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 41.51 1xsb n ASN 26 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 1xsb s ASN 27 N 1.00 4.93 0.27 1.20 0.02 -1.26 -4.96 114.94 116.13 1xsb s ASN 27 Ca 0.00 -0.76 0.02 0.00 -1.02 0.00 0.00 52.86 51.10 1xsb s ASN 27 Cb 0.00 -1.83 0.36 0.00 0.02 0.00 0.00 41.25 39.80 1xsb s ASN 27 CO 0.00 -0.18 1.68 0.00 0.02 0.00 0.00 177.10 178.62 1xsb h ALA 28 N 8.18 1.03 -4.17 0.60 0.00 -1.96 -3.43 119.26 119.50 1xsb h ALA 28 Ca -0.31 -0.39 -0.69 0.00 0.00 0.00 0.00 54.91 53.52 1xsb h ALA 28 Cb 1.12 -0.11 -0.26 0.00 0.00 0.00 0.00 17.79 18.54 1xsb h ALA 28 CO 0.59 0.59 -0.82 0.42 0.00 0.00 0.00 179.25 180.04 1xsb s ILE 29 N -4.34 2.65 0.21 0.00 1.01 -1.26 -3.23 121.20 116.23 1xsb s ILE 29 Ca -0.07 -0.87 0.09 0.00 0.00 0.00 0.00 60.65 59.80 1xsb s ILE 29 Cb 0.13 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.55 1xsb s ILE 29 CO 0.80 0.58 -0.17 -1.61 0.00 0.00 0.00 174.94 174.54 1xsb s GLU 30 N -0.57 1.38 0.17 2.79 2.02 -1.12 -4.14 118.70 119.23 1xsb s GLU 30 Ca 0.08 -1.57 0.11 0.00 0.02 0.00 0.00 54.97 53.61 1xsb s GLU 30 Cb -0.11 -1.30 -0.04 0.00 0.10 0.00 0.00 34.13 32.78 1xsb s GLU 30 CO 0.01 0.24 -0.21 -0.06 0.02 0.00 0.00 175.26 175.25 1xsb s PHE 31 N -2.61 2.39 -0.09 1.61 0.08 -0.46 0.10 117.98 119.00 1xsb s PHE 31 Ca 0.22 -0.32 -0.25 0.00 0.12 0.00 0.00 56.93 56.69 1xsb s PHE 31 Cb -0.03 -1.20 -0.03 0.00 -0.57 0.00 0.00 43.02 41.19 1xsb s PHE 31 CO 0.08 0.47 0.80 -1.17 -0.10 0.00 0.00 175.22 175.30 1xsb s LEU 32 N -2.57 4.27 -0.05 -0.37 2.96 -0.71 -3.60 118.68 118.62 1xsb s LEU 32 Ca 0.20 1.26 0.04 0.00 -0.22 0.00 0.00 54.13 55.42 1xsb s LEU 32 Cb -0.09 -3.22 -0.00 0.00 0.50 0.00 0.00 46.19 43.38 1xsb s LEU 32 CO 0.10 -0.25 -0.17 -0.76 -1.32 0.00 0.00 176.35 173.95 1xsb s LEU 33 N 1.35 1.90 -0.06 -0.68 1.43 -1.08 -4.59 118.68 116.95 1xsb s LEU 33 Ca 0.40 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1xsb s LEU 33 Cb -0.18 -1.01 -0.03 0.00 0.03 0.00 0.00 46.19 45.00 1xsb s LEU 33 CO 0.18 0.14 -0.01 -0.76 0.23 0.00 0.00 176.35 176.13 1xsb s LEU 34 N 0.12 3.48 -0.24 1.79 1.43 -0.89 -1.44 118.68 122.94 1xsb s LEU 34 Ca -0.06 0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 52.95 1xsb s LEU 34 Cb -0.13 -1.84 -0.03 0.00 0.03 0.00 0.00 46.19 44.22 1xsb s LEU 34 CO 0.03 0.35 0.43 -1.58 0.23 0.00 0.00 176.35 175.81 1xsb s GLN 35 N -1.02 4.09 0.48 1.70 2.00 1.21 -2.46 119.66 125.66 1xsb s GLN 35 Ca 0.15 0.19 -0.23 0.00 -2.00 0.00 0.00 55.36 53.46 1xsb s GLN 35 Cb -0.11 -3.61 -0.08 0.00 0.80 0.00 0.00 33.01 30.01 1xsb s GLN 35 CO 0.04 -0.21 1.16 0.00 -0.50 0.00 0.00 175.29 175.78 1xsb n ALA 36 N 5.07 0.86 1.61 1.58 0.00 -1.20 -0.81 120.51 127.61 1xsb n ALA 36 Ca -0.07 0.18 0.14 0.00 0.00 0.00 0.00 53.44 53.69 1xsb n ALA 36 Cb 0.51 -2.21 0.80 0.00 0.00 0.00 0.00 19.45 18.55 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 -0.13 0.00 -2.22 0.00 3.41 0.28 -4.45 113.62 110.50 1xsb n SER 37 Ca 0.09 -0.53 -0.07 0.00 -0.26 0.00 0.00 58.87 58.10 1xsb n SER 37 Cb 0.42 -0.14 0.01 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.14 -1.33 0.00 4.04 5.68 -1.26 -4.96 116.55 117.57 1xsb n ASP 38 Ca 0.18 -2.12 0.00 0.00 -0.50 0.00 0.00 54.79 52.35 1xsb n ASP 38 Cb 0.16 2.28 0.00 0.00 -1.14 0.00 0.00 41.12 42.42 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 -0.36 -1.63 0.00 6.12 0.00 -1.26 -3.63 105.19 104.42 1xsb n GLY 39 Ca -0.04 -1.48 0.07 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.95 -0.61 -6.64 -1.26 -4.82 119.36 103.09 1xsb n ILE 40 Ca 0.00 0.00 -0.10 0.00 -1.77 0.00 0.00 62.75 60.88 1xsb n ILE 40 Cb 0.00 -0.60 0.03 0.00 -1.44 0.00 0.00 39.64 37.64 1xsb n ILE 40 CO 0.00 0.00 0.00 1.41 -1.77 0.00 0.00 176.55 176.19 1xsb n HIS 41 N -0.89 -1.23 -1.90 4.28 8.25 -1.24 -5.01 115.22 117.49 1xsb n HIS 41 Ca 0.11 0.44 -0.32 0.00 -0.26 0.00 0.00 57.72 57.69 1xsb n HIS 41 Cb 0.05 -2.78 0.02 0.00 1.12 0.00 0.00 29.99 28.40 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 -3.14 3.21 -0.15 4.41 -3.43 -1.26 -4.75 115.29 110.18 1xsb s HIS 42 Ca 0.24 1.44 -0.07 0.00 -0.80 0.00 0.00 55.06 55.87 1xsb s HIS 42 Cb -0.10 -2.88 -0.04 0.00 -1.43 0.00 0.00 32.58 28.12 1xsb s HIS 42 CO 0.31 -0.98 0.08 -1.58 -2.00 0.00 0.00 174.74 170.58 1xsb s TRP 43 N -2.81 3.37 0.13 0.38 0.52 -1.26 -3.27 118.94 116.00 1xsb s TRP 43 Ca 0.59 0.28 -0.17 0.00 0.02 0.00 0.00 56.10 56.82 1xsb s TRP 43 Cb -0.14 -1.99 0.04 0.00 -1.15 0.00 0.00 33.47 30.24 1xsb s TRP 43 CO 0.45 0.43 0.43 0.95 0.02 0.00 0.00 176.95 179.24 1xsb s THR 44 N -0.34 0.06 0.72 2.01 -4.23 -1.03 -4.50 115.64 108.32 1xsb s THR 44 Ca 0.10 -0.47 -0.12 0.00 -1.18 0.00 0.00 61.69 60.02 1xsb s THR 44 Cb -0.12 -1.13 0.02 0.00 1.34 0.00 0.00 72.50 72.61 1xsb s THR 44 CO 0.01 -0.26 1.08 -2.84 -0.54 0.00 0.00 174.62 172.07 1xsb s PRO 45 N -3.78 2.65 -0.70 3.99 0.02 -1.26 -2.08 135.00 133.83 1xsb s PRO 45 Ca 0.02 1.13 -0.10 0.00 0.02 0.00 0.00 61.00 62.08 1xsb s PRO 45 Cb 0.01 -1.95 -0.21 0.00 0.02 0.00 0.00 34.50 32.37 1xsb s PRO 45 CO -0.12 -1.34 1.86 -2.30 -0.33 0.00 0.00 177.00 174.77 1xsb n PRO 46 N -3.11 0.08 -3.45 5.54 -0.02 -1.26 -4.71 135.00 128.06 1xsb n PRO 46 Ca 0.09 -0.22 -0.38 0.00 -2.02 0.00 0.00 63.50 60.97 1xsb n PRO 46 Cb 0.53 -1.53 -0.06 0.00 -0.02 0.00 0.00 33.50 32.42 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 6.79 3.99 0.35 -0.52 1.02 -1.26 -3.36 119.74 126.75 1xsb s LYS 47 Ca 0.87 0.48 -0.06 0.00 0.02 0.00 0.00 55.97 57.29 1xsb s LYS 47 Cb -0.47 -3.23 0.01 0.00 -0.52 0.00 0.00 37.83 33.62 1xsb s LYS 47 CO 0.33 0.66 0.54 0.20 -0.92 0.00 0.00 175.35 176.16 1xsb s GLY 48 N -1.02 1.22 -0.10 -3.33 0.00 -1.17 -4.99 107.32 97.94 1xsb s GLY 48 Ca 0.25 -1.33 -0.03 0.00 0.00 0.00 0.00 44.72 43.60 1xsb s GLY 48 CO 0.14 -0.84 0.03 0.30 0.00 0.00 0.00 173.10 172.73 1xsb s HIS 49 N -2.94 3.25 -0.03 1.90 3.76 -1.26 -2.15 115.29 117.82 1xsb s HIS 49 Ca 0.27 0.25 -0.18 0.00 -0.15 0.00 0.00 55.06 55.26 1xsb s HIS 49 Cb -0.01 -1.83 -0.05 0.00 1.11 0.00 0.00 32.58 31.80 1xsb s HIS 49 CO 0.18 0.51 0.49 0.54 -0.85 0.00 0.00 174.74 175.61 1xsb s VAL 50 N -0.87 5.01 0.64 -0.90 0.11 -1.21 -4.91 120.40 118.26 1xsb s VAL 50 Ca 0.13 1.01 -0.11 0.00 -2.93 0.00 0.00 61.98 60.08 1xsb s VAL 50 Cb -0.11 -3.81 0.16 0.00 -1.53 0.00 0.00 36.38 31.08 1xsb s VAL 50 CO 0.03 0.47 0.59 1.21 -3.33 0.00 0.00 175.10 174.06 1xsb n GLU 51 N 2.54 -2.02 0.01 1.54 4.07 -1.26 -4.91 120.64 120.61 1xsb n GLU 51 Ca -0.10 -0.94 -0.00 0.00 -0.06 0.00 0.00 57.16 56.06 1xsb n GLU 51 Cb 0.52 -0.85 -0.00 0.00 -0.06 0.00 0.00 31.44 31.04 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 -0.03 -0.53 5.31 0.13 -1.99 -3.28 132.00 131.61 1xsb h PRO 52 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1xsb h PRO 52 Cb 0.66 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1xsb h PRO 52 CO 0.14 -0.02 0.00 0.41 -0.23 0.00 0.00 178.00 178.31 1xsb n GLY 53 N 0.84 0.35 3.84 1.56 0.00 -1.26 -4.83 105.19 105.68 1xsb n GLY 53 Ca -0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 4.07 0.81 1.61 2.12 -1.24 -5.05 118.70 119.56 1xsb s GLU 54 Ca 0.00 0.80 -0.11 0.00 0.36 0.00 0.00 54.97 56.02 1xsb s GLU 54 Cb 0.00 -2.37 0.08 0.00 0.26 0.00 0.00 34.13 32.10 1xsb s GLU 54 CO 0.00 0.11 1.09 0.34 -0.54 0.00 0.00 175.26 176.26 1xsb s ASP 55 N -2.23 4.29 -0.04 -1.70 3.68 -1.26 -4.78 116.67 114.62 1xsb s ASP 55 Ca 0.56 1.53 -0.04 0.00 2.13 0.00 0.00 52.55 56.73 1xsb s ASP 55 Cb -0.10 -2.26 -0.02 0.00 -1.45 0.00 0.00 42.92 39.09 1xsb s ASP 55 CO 0.16 -2.13 0.24 0.44 0.13 0.00 0.00 175.17 174.02 1xsb h ASP 56 N -1.20 -0.12 -0.66 -0.34 3.32 -1.97 -2.97 116.42 112.48 1xsb h ASP 56 Ca -0.47 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 1xsb h ASP 56 Cb 1.26 0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.81 1xsb h ASP 56 CO 0.55 0.15 0.30 0.25 -1.72 0.00 0.00 179.24 178.77 1xsb h LEU 57 N -0.63 0.89 -0.97 1.55 5.85 -1.97 -2.29 115.31 117.74 1xsb h LEU 57 Ca -0.02 -0.15 0.18 0.00 0.84 0.00 0.00 57.88 58.73 1xsb h LEU 57 Cb 0.11 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 40.81 1xsb h LEU 57 CO 0.02 0.79 0.57 -0.08 -0.34 0.00 0.00 178.44 179.40 1xsb h GLU 58 N 0.93 0.72 -0.79 1.25 4.81 -1.97 0.67 114.58 120.19 1xsb h GLU 58 Ca 0.23 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1xsb h GLU 58 Cb 0.16 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 1xsb h GLU 58 CO -0.02 0.47 0.53 1.15 -0.73 0.00 0.00 179.01 180.40 1xsb h THR 59 N 0.74 1.20 -0.58 0.32 2.02 -1.24 0.62 112.91 115.98 1xsb h THR 59 Ca 0.55 -0.37 -0.09 0.00 0.77 0.00 0.00 66.41 67.27 1xsb h THR 59 Cb 0.82 0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1xsb h THR 59 CO -0.38 0.20 0.02 0.00 0.37 0.00 0.00 175.52 175.73 1xsb h ALA 60 N 1.29 0.78 0.17 6.16 0.00 0.16 0.30 119.26 128.12 1xsb h ALA 60 Ca 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xsb h ALA 60 Cb -0.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.46 1xsb h ALA 60 CO -0.07 0.60 -0.08 -0.07 0.00 0.00 0.00 179.25 179.63 1xsb h LEU 61 N 0.91 -0.20 -0.63 0.00 3.38 0.14 0.92 115.31 119.83 1xsb h LEU 61 Ca 0.17 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1xsb h LEU 61 Cb 0.52 0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1xsb h LEU 61 CO 0.03 -0.11 0.33 -0.09 0.09 0.00 0.00 178.44 178.68 1xsb h ARG 62 N -0.26 0.89 -0.32 1.13 2.43 0.37 -2.07 114.38 116.56 1xsb h ARG 62 Ca -0.02 -0.12 -0.09 0.00 -0.81 0.00 0.00 59.98 58.94 1xsb h ARG 62 Cb 0.20 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 1xsb h ARG 62 CO 0.04 0.70 -0.18 0.00 -1.51 0.00 0.00 179.97 179.01 1xsb h ALA 63 N 1.15 1.09 -0.45 2.80 0.00 -0.05 0.94 119.26 124.73 1xsb h ALA 63 Ca 0.22 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.82 1xsb h ALA 63 Cb 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1xsb h ALA 63 CO -0.03 0.56 0.28 1.15 0.00 0.00 0.00 179.25 181.21 1xsb h THR 64 N 0.52 1.07 0.21 0.00 2.02 0.15 0.33 112.91 117.22 1xsb h THR 64 Ca 0.08 -0.19 -0.32 0.00 0.77 0.00 0.00 66.41 66.75 1xsb h THR 64 Cb 0.61 0.46 0.04 0.00 -1.74 0.00 0.00 68.15 67.52 1xsb h THR 64 CO 0.04 0.10 -1.40 -0.61 0.37 0.00 0.00 175.52 174.03 1xsb h GLN 65 N 0.57 0.57 -0.72 6.66 4.15 -0.34 -0.32 115.11 125.68 1xsb h GLN 65 Ca 0.17 -0.89 -0.03 0.00 0.77 0.00 0.00 58.65 58.67 1xsb h GLN 65 Cb -0.02 0.32 -0.03 0.00 0.21 0.00 0.00 27.48 27.96 1xsb h GLN 65 CO -0.06 1.42 0.32 0.93 -1.93 0.00 0.00 178.83 179.51 1xsb h GLU 66 N 0.19 1.04 -0.29 1.69 4.39 -0.67 3.31 114.58 124.24 1xsb h GLU 66 Ca -0.23 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.31 1xsb h GLU 66 Cb 2.08 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 30.55 1xsb h GLU 66 CO 0.26 0.82 0.00 0.39 -1.16 0.00 0.00 179.01 179.32 1xsb n GLU 67 N -4.32 2.27 0.00 2.33 -0.58 0.09 -3.84 120.64 116.60 1xsb n GLU 67 Ca 0.07 -2.08 0.00 0.00 -0.42 0.00 0.00 57.16 54.72 1xsb n GLU 67 Cb 0.15 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 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 1.28 0.34 -0.51 0.62 0.00 0.17 -4.15 120.51 118.26 1xsb n ALA 68 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1xsb n ALA 68 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.00 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 0.07 0.77 3.50 0.00 0.00 1.10 0.43 105.19 111.05 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 -3.03 4.25 0.40 -0.61 1.01 -1.20 -4.77 121.20 117.26 1xsb s ILE 70 Ca 0.00 -0.21 0.07 0.00 0.00 0.00 0.00 60.65 60.51 1xsb s ILE 70 Cb 0.00 -2.93 -0.07 0.00 0.01 0.00 0.00 42.46 39.47 1xsb s ILE 70 CO 0.00 0.42 0.06 -0.70 0.00 0.00 0.00 174.94 174.71 1xsb s GLU 71 N 0.96 2.04 0.39 2.79 2.12 -1.26 -0.64 118.70 125.09 1xsb s GLU 71 Ca 0.03 -1.99 0.20 0.00 0.36 0.00 0.00 54.97 53.56 1xsb s GLU 71 Cb -0.14 -1.77 1.17 0.00 0.26 0.00 0.00 34.13 33.65 1xsb s GLU 71 CO 0.02 -0.05 1.70 0.00 -0.54 0.00 0.00 175.26 176.39 1xsb h ALA 72 N 1.68 2.25 0.00 6.30 0.00 -1.84 3.40 119.26 131.06 1xsb h ALA 72 Ca -0.43 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1xsb h ALA 72 Cb 1.25 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 1xsb h ALA 72 CO 0.76 -0.78 -0.00 0.78 0.00 0.00 0.00 179.25 180.01 1xsb h GLY 73 N 0.31 0.00 0.00 0.00 0.00 -1.98 -1.69 103.07 99.71 1xsb h GLY 73 Ca 0.70 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.03 1xsb h GLY 73 CO -0.43 0.00 -1.02 -1.06 0.00 0.00 0.00 176.54 174.03 1xsb n GLN 74 N -3.20 1.54 -4.02 4.80 6.02 1.11 -5.02 117.38 118.62 1xsb n GLN 74 Ca -0.03 -0.04 -0.22 0.00 -0.01 0.00 0.00 57.00 56.70 1xsb n GLN 74 Cb 0.10 -1.26 -0.06 0.00 1.02 0.00 0.00 30.24 30.04 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 -1.57 0.00 -3.97 1.08 -0.00 0.01 -2.41 117.00 110.14 1xsb n LEU 75 Ca 0.01 -2.58 -0.30 0.00 -0.00 0.00 0.00 56.01 53.13 1xsb n LEU 75 Cb 0.29 0.76 -0.16 0.00 -0.00 0.00 0.00 43.42 44.31 1xsb n LEU 75 CO 0.31 -0.39 -0.44 -0.89 -0.00 0.00 0.00 177.39 175.98 1xsb s THR 76 N -2.76 1.59 -0.03 1.47 2.01 0.43 -4.71 115.64 113.64 1xsb s THR 76 Ca 0.14 -1.10 -0.28 0.00 0.31 0.00 0.00 61.69 60.77 1xsb s THR 76 Cb 0.01 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 1xsb s THR 76 CO 0.10 0.06 0.90 -0.63 -0.69 0.00 0.00 174.62 174.36 1xsb s ILE 77 N 1.39 4.91 0.15 1.82 -1.09 -1.26 -1.50 121.20 125.63 1xsb s ILE 77 Ca -0.03 1.88 -0.20 0.00 -2.23 0.00 0.00 60.65 60.06 1xsb s ILE 77 Cb -0.17 -4.24 -0.08 0.00 -1.58 0.00 0.00 42.46 36.39 1xsb s ILE 77 CO -0.07 0.17 0.67 -0.63 -1.23 0.00 0.00 174.94 173.85 1xsb s ILE 78 N 1.06 4.60 0.11 2.92 1.09 0.69 -4.98 121.20 126.69 1xsb s ILE 78 Ca 0.47 1.33 0.03 0.00 -1.10 0.00 0.00 60.65 61.38 1xsb s ILE 78 Cb -0.20 -3.93 -0.04 0.00 -1.06 0.00 0.00 42.46 37.23 1xsb s ILE 78 CO 0.24 0.41 0.14 -1.61 -0.10 0.00 0.00 174.94 174.02 1xsb s GLU 79 N -1.47 3.02 0.00 2.79 2.02 -1.26 -4.49 118.70 119.31 1xsb s GLU 79 Ca 0.36 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.64 1xsb s GLU 79 Cb -0.19 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.27 1xsb s GLU 79 CO 0.22 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.45 1xsb n GLY 80 N 0.06 2.60 3.39 -1.39 0.00 -1.26 -5.04 105.19 103.55 1xsb n GLY 80 Ca -0.08 0.00 -0.34 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 -2.53 2.92 -0.22 1.61 2.19 -1.26 -5.09 117.98 115.60 1xsb s PHE 81 Ca 0.00 -0.64 -0.18 0.00 0.33 0.00 0.00 56.93 56.44 1xsb s PHE 81 Cb 0.00 -1.97 0.06 0.00 -1.31 0.00 0.00 43.02 39.80 1xsb s PHE 81 CO 0.00 -0.27 0.56 0.21 1.83 0.00 0.00 175.22 177.55 1xsb s LYS 82 N 0.74 0.63 -0.18 10.12 2.20 -1.26 -4.62 119.74 127.37 1xsb s LYS 82 Ca -0.03 0.84 -0.28 0.00 -0.36 0.00 0.00 55.97 56.15 1xsb s LYS 82 Cb -0.15 0.25 0.07 0.00 -1.51 0.00 0.00 37.83 36.50 1xsb s LYS 82 CO 0.02 -0.10 0.71 0.50 -0.36 0.00 0.00 175.35 176.12 1xsb s ARG 83 N 0.62 0.92 -0.02 4.03 6.06 -1.25 -5.02 118.95 124.29 1xsb s ARG 83 Ca -0.03 0.68 0.08 0.00 -2.50 0.00 0.00 55.73 53.96 1xsb s ARG 83 Cb -0.05 0.44 -0.02 0.00 0.06 0.00 0.00 34.95 35.38 1xsb s ARG 83 CO -0.04 -0.19 -0.25 -1.83 -2.50 0.00 0.00 175.30 170.49 1xsb s GLU 84 N -0.28 2.15 -0.31 5.12 1.03 -1.24 -1.02 118.70 124.14 1xsb s GLU 84 Ca -0.04 -0.91 -0.15 0.00 0.03 0.00 0.00 54.97 53.90 1xsb s GLU 84 Cb -0.03 -2.08 -0.02 0.00 -0.80 0.00 0.00 34.13 31.20 1xsb s GLU 84 CO 0.05 0.57 0.36 -0.51 -1.33 0.00 0.00 175.26 174.39 1xsb s LEU 85 N -0.64 4.23 -0.16 1.83 1.43 0.34 -4.72 118.68 121.00 1xsb s LEU 85 Ca 0.10 0.01 -0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1xsb s LEU 85 Cb -0.10 -2.37 -0.00 0.00 0.03 0.00 0.00 46.19 43.75 1xsb s LEU 85 CO -0.01 -0.26 -0.13 0.20 0.23 0.00 0.00 176.35 176.38 1xsb s ASN 86 N 1.70 3.80 -0.07 2.29 0.01 -1.25 -0.51 114.94 120.91 1xsb s ASN 86 Ca 0.13 -0.44 -0.29 0.00 -0.71 0.00 0.00 52.86 51.55 1xsb s ASN 86 Cb -0.16 -1.59 0.10 0.00 0.41 0.00 0.00 41.25 40.01 1xsb s ASN 86 CO 0.11 0.08 0.88 -0.72 -1.51 0.00 0.00 177.10 175.94 1xsb s TYR 87 N 0.84 -0.43 -0.35 2.20 -0.85 -1.19 -4.91 117.35 112.66 1xsb s TYR 87 Ca -0.04 0.57 -0.08 0.00 -0.52 0.00 0.00 57.07 56.99 1xsb s TYR 87 Cb -0.15 0.48 0.03 0.00 0.38 0.00 0.00 41.96 42.70 1xsb s TYR 87 CO -0.00 -0.49 0.15 0.54 -1.52 0.00 0.00 175.55 174.23 1xsb s VAL 88 N -1.94 4.13 0.00 -3.49 0.11 -1.26 -1.02 120.40 116.93 1xsb s VAL 88 Ca -0.01 -1.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.03 1xsb s VAL 88 Cb -0.01 -3.32 0.00 0.00 -1.53 0.00 0.00 36.38 31.53 1xsb s VAL 88 CO -0.01 -0.20 0.00 0.00 -3.33 0.00 0.00 175.10 171.56 1xsb n ALA 89 N 4.89 0.00 -0.27 1.54 0.00 -1.18 -4.59 120.51 120.90 1xsb n ALA 89 Ca -0.12 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 1xsb n ALA 89 Cb 0.45 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.01 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 0.87 0.00 0.00 0.11 -2.05 -3.42 114.38 109.90 1xsb h ARG 90 Ca 0.00 -0.05 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1xsb h ARG 90 Cb 0.00 -0.20 0.00 0.00 1.11 0.00 0.00 29.97 30.88 1xsb h ARG 90 CO 0.00 0.58 0.00 0.09 0.10 0.00 0.00 179.97 180.74 1xsb n ASN 91 N -4.65 0.00 -3.87 0.08 3.02 -1.26 -5.14 115.26 103.44 1xsb n ASN 91 Ca 0.10 -0.07 -0.19 0.00 -0.03 0.00 0.00 54.58 54.39 1xsb n ASN 91 Cb 0.13 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.13 1xsb n ASN 91 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1xsb s LYS 92 N 0.00 0.68 0.05 3.52 -2.85 -1.26 -5.06 119.74 114.81 1xsb s LYS 92 Ca 0.00 -0.05 -0.30 0.00 -1.00 0.00 0.00 55.97 54.61 1xsb s LYS 92 Cb 0.00 -0.73 -0.05 0.00 -2.06 0.00 0.00 37.83 34.99 1xsb s LYS 92 CO 0.00 -0.09 1.06 -1.25 0.10 0.00 0.00 175.35 175.17 1xsb s PRO 93 N 0.94 4.53 -0.15 1.78 0.04 -1.26 -3.09 135.00 137.80 1xsb s PRO 93 Ca -0.11 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1xsb s PRO 93 Cb -0.14 -3.40 0.03 0.00 0.04 0.00 0.00 34.50 31.03 1xsb s PRO 93 CO -0.00 -0.08 -0.10 0.15 0.04 0.00 0.00 177.00 177.01 1xsb s LYS 94 N 0.81 1.87 -0.26 4.56 1.02 -0.19 -2.04 119.74 125.51 1xsb s LYS 94 Ca 0.53 -0.50 -0.24 0.00 0.02 0.00 0.00 55.97 55.79 1xsb s LYS 94 Cb -0.25 -1.97 -0.01 0.00 -0.52 0.00 0.00 37.83 35.08 1xsb s LYS 94 CO 0.29 -0.31 0.79 0.99 -0.92 0.00 0.00 175.35 176.19 1xsb s THR 95 N 1.57 4.85 -0.20 2.17 2.01 -1.05 -3.16 115.64 121.82 1xsb s THR 95 Ca 0.03 1.43 -0.02 0.00 0.31 0.00 0.00 61.69 63.44 1xsb s THR 95 Cb -0.14 -4.09 0.01 0.00 0.01 0.00 0.00 72.50 68.29 1xsb s THR 95 CO -0.09 -0.09 -0.11 -0.69 -0.69 0.00 0.00 174.62 172.95 1xsb s VAL 96 N 2.81 2.79 -0.19 3.82 1.01 0.34 -1.17 120.40 129.82 1xsb s VAL 96 Ca 0.33 -0.70 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 1xsb s VAL 96 Cb -0.15 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1xsb s VAL 96 CO 0.08 0.46 0.32 -0.63 0.00 0.00 0.00 175.10 175.34 1xsb s ILE 97 N 1.39 5.27 -0.08 2.22 -1.09 -0.99 0.13 121.20 128.05 1xsb s ILE 97 Ca 0.05 0.58 0.03 0.00 -2.23 0.00 0.00 60.65 59.08 1xsb s ILE 97 Cb -0.14 -3.66 -0.02 0.00 -1.58 0.00 0.00 42.46 37.07 1xsb s ILE 97 CO -0.07 0.32 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.47 1xsb s TYR 98 N 0.90 2.65 0.01 3.97 2.02 -0.19 -2.09 117.35 124.62 1xsb s TYR 98 Ca 0.17 -0.55 0.07 0.00 -0.37 0.00 0.00 57.07 56.39 1xsb s TYR 98 Cb -0.14 -1.70 -0.03 0.00 -0.40 0.00 0.00 41.96 39.70 1xsb s TYR 98 CO 0.06 -0.11 -0.20 -1.58 -1.57 0.00 0.00 175.55 172.15 1xsb s TRP 99 N -0.14 2.50 0.12 2.71 0.51 -1.25 -3.74 118.94 119.65 1xsb s TRP 99 Ca -0.02 -0.30 -0.30 0.00 -2.12 0.00 0.00 56.10 53.35 1xsb s TRP 99 Cb -0.14 -1.49 -0.06 0.00 -0.81 0.00 0.00 33.47 30.97 1xsb s TRP 99 CO 0.04 0.16 1.06 -0.51 -0.51 0.00 0.00 176.95 177.19 1xsb s LEU 100 N -1.12 4.46 0.09 2.99 1.43 -1.26 -1.70 118.68 123.57 1xsb s LEU 100 Ca 0.13 1.93 0.02 0.00 -1.03 0.00 0.00 54.13 55.19 1xsb s LEU 100 Cb -0.10 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 1xsb s LEU 100 CO 0.03 -0.21 -0.08 0.00 0.23 0.00 0.00 176.35 176.31 1xsb s ALA 101 N 0.18 0.93 -0.10 4.21 0.00 0.69 -0.23 121.76 127.44 1xsb s ALA 101 Ca 0.50 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1xsb s ALA 101 Cb -0.26 0.09 0.03 0.00 0.00 0.00 0.00 23.12 22.98 1xsb s ALA 101 CO 0.32 -0.13 -0.05 -2.00 0.00 0.00 0.00 175.76 173.89 1xsb s GLU 102 N -3.02 1.27 -0.28 0.00 2.12 -0.56 0.42 118.70 118.64 1xsb s GLU 102 Ca 0.05 -0.15 -0.29 0.00 0.36 0.00 0.00 54.97 54.94 1xsb s GLU 102 Cb -0.01 -1.41 0.01 0.00 0.26 0.00 0.00 34.13 32.98 1xsb s GLU 102 CO -0.02 -0.27 1.13 0.14 -0.54 0.00 0.00 175.26 175.69 1xsb s VAL 103 N 1.77 4.46 0.52 3.70 -7.23 -1.26 -0.43 120.40 121.93 1xsb s VAL 103 Ca 0.05 1.70 0.19 0.00 -1.81 0.00 0.00 61.98 62.11 1xsb s VAL 103 Cb -0.12 -4.31 0.28 0.00 0.56 0.00 0.00 36.38 32.78 1xsb s VAL 103 CO -0.07 -0.38 2.15 0.07 -0.31 0.00 0.00 175.10 176.55 1xsb h LYS 104 N 8.17 0.00 -5.34 4.82 2.10 -1.82 -3.41 116.57 121.09 1xsb h LYS 104 Ca -0.22 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 57.84 1xsb h LYS 104 Cb 1.07 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.29 1xsb h LYS 104 CO 1.02 0.03 -0.42 -0.51 -2.00 0.00 0.00 179.45 177.57 1xsb s ASP 105 N -6.84 6.30 0.17 7.07 -0.00 -1.26 -4.96 116.67 117.15 1xsb s ASP 105 Ca -0.05 0.34 -0.10 0.00 -0.00 0.00 0.00 52.55 52.74 1xsb s ASP 105 Cb 0.16 -2.13 0.06 0.00 -0.00 0.00 0.00 42.92 41.01 1xsb s ASP 105 CO 0.65 0.13 1.63 0.22 -0.00 0.00 0.00 175.17 177.80 1xsb h TYR 106 N 6.77 1.13 -0.47 4.23 3.20 -2.01 -1.91 116.97 127.91 1xsb h TYR 106 Ca -0.41 -0.19 0.00 0.00 3.14 0.00 0.00 58.73 61.27 1xsb h TYR 106 Cb 1.16 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.13 1xsb h TYR 106 CO 0.60 1.00 0.00 -0.40 -1.64 0.00 0.00 178.16 177.72 1xsb n ASP 107 N -4.22 4.28 -4.28 -2.11 3.85 -1.26 -4.98 116.55 107.83 1xsb n ASP 107 Ca 0.03 -2.55 -0.41 0.00 -0.71 0.00 0.00 54.79 51.15 1xsb n ASP 107 Cb 0.34 -0.58 0.00 0.00 -1.35 0.00 0.00 41.12 39.53 1xsb n ASP 107 CO 0.00 0.00 0.00 0.55 -1.01 0.00 0.00 177.20 176.74 1xsb n VAL 108 N 0.64 0.41 -2.01 2.12 3.14 -0.72 -4.78 118.33 117.13 1xsb n VAL 108 Ca 0.21 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.70 1xsb n VAL 108 Cb 0.86 -0.02 0.01 0.00 -1.06 0.00 0.00 33.84 33.63 1xsb n VAL 108 CO 0.00 0.00 0.00 -1.83 -6.46 0.00 0.00 176.83 168.54 1xsb s GLU 109 N -1.02 3.76 -0.30 1.45 -1.05 -1.26 -5.00 118.70 115.28 1xsb s GLU 109 Ca 0.58 2.15 0.02 0.00 -0.15 0.00 0.00 54.97 57.57 1xsb s GLU 109 Cb -0.58 -2.61 0.09 0.00 -0.44 0.00 0.00 34.13 30.59 1xsb s GLU 109 CO 0.64 -0.66 0.02 0.42 0.95 0.00 0.00 175.26 176.63 1xsb s ILE 110 N -1.30 1.68 -0.17 1.83 -1.09 -1.24 -4.34 121.20 116.56 1xsb s ILE 110 Ca 0.61 -1.72 -0.03 0.00 -2.23 0.00 0.00 60.65 57.28 1xsb s ILE 110 Cb -0.38 -2.13 -0.02 0.00 -1.58 0.00 0.00 42.46 38.35 1xsb s ILE 110 CO 0.48 -0.44 -0.07 -0.13 -1.23 0.00 0.00 174.94 173.55 1xsb s ARG 111 N 1.25 3.48 -0.11 2.79 1.81 1.47 -4.90 118.95 124.73 1xsb s ARG 111 Ca 0.05 -0.61 -0.02 0.00 -1.72 0.00 0.00 55.73 53.43 1xsb s ARG 111 Cb -0.19 -2.86 -0.03 0.00 -0.45 0.00 0.00 34.95 31.42 1xsb s ARG 111 CO -0.12 0.08 -0.03 -0.51 -0.68 0.00 0.00 175.30 174.05 1xsb s LEU 112 N 0.74 3.37 0.89 2.53 1.43 -1.26 0.45 118.68 126.83 1xsb s LEU 112 Ca -0.03 -0.00 -0.13 0.00 -1.03 0.00 0.00 54.13 52.94 1xsb s LEU 112 Cb -0.15 -1.78 0.16 0.00 0.03 0.00 0.00 46.19 44.45 1xsb s LEU 112 CO 0.02 0.28 1.24 -0.55 0.23 0.00 0.00 176.35 177.57 1xsb s SER 113 N -0.31 3.65 0.53 2.29 0.15 -1.25 -4.81 113.70 113.95 1xsb s SER 113 Ca 0.06 0.32 0.28 0.00 0.70 0.00 0.00 55.95 57.31 1xsb s SER 113 Cb -0.12 -0.54 1.43 0.00 -1.71 0.00 0.00 66.02 65.08 1xsb s SER 113 CO 0.02 -2.39 1.96 -0.74 1.20 0.00 0.00 173.24 173.29 1xsb h HIS 114 N -1.33 0.00 -0.37 3.44 2.76 -1.99 0.32 115.15 117.97 1xsb h HIS 114 Ca -0.44 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 57.72 1xsb h HIS 114 Cb 1.26 0.00 -0.02 0.00 1.55 0.00 0.00 27.41 30.20 1xsb h HIS 114 CO -0.64 0.00 0.18 0.93 -1.30 0.00 0.00 177.93 177.10 1xsb h GLU 115 N 0.00 0.52 -6.48 5.26 5.08 -1.96 -3.39 114.58 113.61 1xsb h GLU 115 Ca 0.31 -0.05 -0.69 0.00 -1.00 0.00 0.00 59.36 57.93 1xsb h GLU 115 Cb 1.26 -0.10 -0.30 0.00 0.50 0.00 0.00 28.75 30.11 1xsb h GLU 115 CO -0.00 0.40 -0.89 -1.01 -1.00 0.00 0.00 179.01 176.52 1xsb s HIS 116 N -5.32 2.29 -0.11 4.33 3.76 0.11 0.99 115.29 121.34 1xsb s HIS 116 Ca -0.08 -0.46 0.05 0.00 -0.15 0.00 0.00 55.06 54.42 1xsb s HIS 116 Cb 0.17 -1.48 -0.07 0.00 1.11 0.00 0.00 32.58 32.31 1xsb s HIS 116 CO 0.74 -0.06 0.16 0.00 -0.85 0.00 0.00 174.74 174.73 1xsb n GLN 117 N 2.51 2.45 -3.62 1.40 10.64 0.01 -3.85 117.38 126.92 1xsb n GLN 117 Ca -0.16 -0.03 -0.12 0.00 -1.83 0.00 0.00 57.00 54.86 1xsb n GLN 117 Cb 0.51 -0.95 -0.05 0.00 -0.86 0.00 0.00 30.24 28.89 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 -1.97 -1.09 0.05 2.61 0.00 -1.23 -4.97 121.76 115.16 1xsb s ALA 118 Ca -0.00 0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.20 1xsb s ALA 118 Cb 0.04 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.63 1xsb s ALA 118 CO 0.21 -0.56 -0.03 1.52 0.00 0.00 0.00 175.76 176.90 1xsb s TYR 119 N -3.04 0.52 0.01 0.00 1.13 -1.26 0.38 117.35 115.09 1xsb s TYR 119 Ca -0.02 -1.02 -0.03 0.00 -1.41 0.00 0.00 57.07 54.58 1xsb s TYR 119 Cb 0.00 -0.38 -0.01 0.00 -1.10 0.00 0.00 41.96 40.47 1xsb s TYR 119 CO -0.06 -0.36 0.04 1.03 -2.51 0.00 0.00 175.55 173.69 1xsb s ARG 120 N -3.74 0.40 -0.37 -3.49 0.52 -0.52 -4.96 118.95 106.80 1xsb s ARG 120 Ca 0.06 -0.55 -0.07 0.00 -0.52 0.00 0.00 55.73 54.65 1xsb s ARG 120 Cb 0.07 0.16 0.05 0.00 0.52 0.00 0.00 34.95 35.74 1xsb s ARG 120 CO -0.09 -0.08 0.16 -1.58 0.02 0.00 0.00 175.30 173.72 1xsb s TRP 121 N -1.54 3.30 0.35 -0.53 0.52 -1.26 -2.64 118.94 117.13 1xsb s TRP 121 Ca -0.14 -1.49 0.03 0.00 0.02 0.00 0.00 56.10 54.52 1xsb s TRP 121 Cb -0.08 -2.52 -0.04 0.00 -1.15 0.00 0.00 33.47 29.68 1xsb s TRP 121 CO -0.00 -0.77 0.11 -0.51 0.02 0.00 0.00 176.95 175.80 1xsb s LEU 122 N 1.40 1.95 0.00 2.99 1.02 -1.24 -4.94 118.68 119.86 1xsb s LEU 122 Ca 0.00 -1.54 -0.06 0.00 0.02 0.00 0.00 54.13 52.55 1xsb s LEU 122 Cb -0.21 -0.11 0.12 0.00 0.02 0.00 0.00 46.19 46.01 1xsb s LEU 122 CO 0.02 -0.81 0.72 0.61 0.02 0.00 0.00 176.35 176.91 1xsb n GLY 123 N -0.74 -0.64 0.37 -3.19 0.00 -1.26 -1.35 105.19 98.39 1xsb n GLY 123 Ca -0.03 -1.80 -0.02 0.00 0.00 0.00 0.00 46.02 44.17 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 1.14 0.49 0.99 5.85 -1.95 0.29 115.31 122.12 1xsb h LEU 124 Ca -0.23 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1xsb h LEU 124 Cb 0.71 -0.29 0.00 0.00 0.37 0.00 0.00 40.66 41.46 1xsb h LEU 124 CO 0.19 0.83 -0.24 1.05 -0.34 0.00 0.00 178.44 179.93 1xsb h GLU 125 N 1.34 -0.64 -0.24 1.25 4.11 -1.95 0.30 114.58 118.75 1xsb h GLU 125 Ca 0.36 0.04 -0.05 0.00 0.07 0.00 0.00 59.36 59.78 1xsb h GLU 125 Cb -0.15 0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1xsb h GLU 125 CO -0.08 -0.40 -0.06 0.93 0.07 0.00 0.00 179.01 179.47 1xsb h GLU 126 N -0.71 0.47 -0.40 1.06 3.07 -1.89 0.67 114.58 116.85 1xsb h GLU 126 Ca -0.07 -0.18 0.12 0.00 -0.50 0.00 0.00 59.36 58.73 1xsb h GLU 126 Cb 0.53 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 28.40 1xsb h GLU 126 CO 0.11 0.70 0.36 0.00 -1.40 0.00 0.00 179.01 178.78 1xsb h ALA 127 N 0.76 2.19 0.23 3.43 0.00 -0.35 0.56 119.26 126.09 1xsb h ALA 127 Ca 0.06 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.64 1xsb h ALA 127 Cb 0.52 0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.37 1xsb h ALA 127 CO 0.02 -0.57 -1.44 0.00 0.00 0.00 0.00 179.25 177.27 1xsb h GLN 129 N 0.06 0.34 -0.32 0.00 -0.00 0.49 -2.88 115.11 112.80 1xsb h GLN 129 Ca -0.26 -0.07 -0.12 0.00 -0.00 0.00 0.00 58.65 58.20 1xsb h GLN 129 Cb 2.08 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 29.51 1xsb h GLN 129 CO 0.24 0.42 -0.28 -0.07 -0.00 0.00 0.00 178.83 179.14 1xsb h LEU 130 N 0.19 0.80 -4.23 0.06 3.38 -0.26 -3.10 115.31 112.15 1xsb h LEU 130 Ca 0.07 -0.46 -0.30 0.00 0.09 0.00 0.00 57.88 57.28 1xsb h LEU 130 Cb 0.21 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1xsb h LEU 130 CO -0.00 1.09 0.59 0.00 0.09 0.00 0.00 178.44 180.21 1xsb n ALA 131 N -2.50 6.64 -0.44 1.53 0.00 -0.29 -3.98 120.51 121.47 1xsb n ALA 131 Ca -0.03 -2.21 0.37 0.00 0.00 0.00 0.00 53.44 51.56 1xsb n ALA 131 Cb 0.47 -2.56 0.62 0.00 0.00 0.00 0.00 19.45 17.98 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 2.75 -0.03 -1.68 0.00 0.00 -1.17 -3.79 117.38 113.46 1xsb n GLN 132 Ca 0.51 1.11 -0.50 0.00 0.00 0.00 0.00 57.00 58.13 1xsb n GLN 132 Cb 0.76 -2.22 -0.05 0.00 0.00 0.00 0.00 30.24 28.73 1xsb n GLN 132 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1xsb n PHE 133 N -4.44 2.23 -0.24 2.61 3.01 -1.26 -4.81 117.46 114.56 1xsb n PHE 133 Ca 0.36 0.17 0.05 0.00 1.01 0.00 0.00 57.45 59.04 1xsb n PHE 133 Cb 1.44 -2.59 0.30 0.00 -0.01 0.00 0.00 39.48 38.61 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 8.05 0.86 -0.71 -1.08 3.64 -1.96 -0.49 116.57 124.88 1xsb h LYS 134 Ca -0.47 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 58.92 1xsb h LYS 134 Cb 1.28 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.85 1xsb h LYS 134 CO 0.93 0.57 0.40 0.93 -2.27 0.00 0.00 179.45 180.01 1xsb h GLU 135 N 0.89 0.70 -0.03 1.90 5.08 -1.89 0.62 114.58 121.84 1xsb h GLU 135 Ca 0.35 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.56 1xsb h GLU 135 Cb 0.22 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.32 1xsb h GLU 135 CO -0.12 0.46 -0.40 0.52 -1.00 0.00 0.00 179.01 178.47 1xsb h MET 136 N 0.72 0.33 -0.51 2.33 2.86 -1.58 1.04 114.93 120.11 1xsb h MET 136 Ca 0.32 -0.31 0.09 0.00 -2.06 0.00 0.00 59.70 57.74 1xsb h MET 136 Cb 0.21 0.08 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 1xsb h MET 136 CO -0.19 0.98 0.35 0.87 1.06 0.00 0.00 176.91 179.98 1xsb h LYS 137 N -0.21 0.30 0.05 1.72 1.57 -0.72 1.26 116.57 120.53 1xsb h LYS 137 Ca -0.04 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.61 1xsb h LYS 137 Cb 1.10 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 33.35 1xsb h LYS 137 CO 0.08 0.20 -0.48 0.00 -0.57 0.00 0.00 179.45 178.68 1xsb h ALA 138 N 1.74 -0.01 -0.21 3.86 0.00 0.49 -0.43 119.26 124.70 1xsb h ALA 138 Ca 0.24 -0.57 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1xsb h ALA 138 Cb 0.53 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1xsb h ALA 138 CO -0.05 0.23 0.06 0.00 0.00 0.00 0.00 179.25 179.49 1xsb h ALA 139 N 0.16 0.22 0.00 0.00 0.00 0.28 2.23 119.26 122.16 1xsb h ALA 139 Ca -0.07 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1xsb h ALA 139 Cb 1.29 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 1xsb h ALA 139 CO 0.09 -0.36 -0.17 -0.07 0.00 0.00 0.00 179.25 178.74 1xsb h LEU 140 N 0.16 0.00 0.04 0.00 3.38 0.14 0.79 115.31 119.82 1xsb h LEU 140 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 1xsb h LEU 140 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1xsb h LEU 140 CO -0.10 0.17 -0.02 1.56 0.09 0.00 0.00 178.44 180.15 1xsb h GLN 141 N 0.00 -0.06 -0.59 1.13 1.08 0.11 -2.86 115.11 113.93 1xsb h GLN 141 Ca -0.00 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.12 1xsb h GLN 141 Cb 0.31 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 1xsb h GLN 141 CO 0.02 0.58 0.04 0.93 -0.95 0.00 0.00 178.83 179.45 1xsb h GLU 142 N -0.90 0.99 -0.22 1.46 4.39 0.37 0.12 114.58 120.79 1xsb h GLU 142 Ca -0.01 -0.28 0.02 0.00 0.34 0.00 0.00 59.36 59.43 1xsb h GLU 142 Cb 0.66 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1xsb h GLU 142 CO 0.01 0.95 0.09 0.78 -1.16 0.00 0.00 179.01 179.68 1xsb h GLY 143 N 1.01 0.28 0.97 -3.84 0.00 -0.96 0.18 103.07 100.72 1xsb h GLY 143 Ca 0.17 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 1xsb h GLY 143 CO 0.02 0.05 0.14 0.84 0.00 0.00 0.00 176.54 177.59 1xsb h HIS 144 N 0.21 0.82 -0.80 5.60 -0.00 -1.24 -0.91 115.15 118.81 1xsb h HIS 144 Ca 0.09 -0.09 0.06 0.00 -0.00 0.00 0.00 60.37 60.43 1xsb h HIS 144 Cb 0.04 -0.23 -0.06 0.00 -0.00 0.00 0.00 27.41 27.16 1xsb h HIS 144 CO -0.10 0.72 0.49 0.37 -0.00 0.00 0.00 177.93 179.41 1xsb h GLN 145 N 0.67 0.87 -0.01 5.26 5.75 -0.10 -1.25 115.11 126.30 1xsb h GLN 145 Ca 0.16 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.60 1xsb h GLN 145 Cb 0.30 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.66 1xsb h GLN 145 CO -0.00 0.58 -0.02 0.35 -2.65 0.00 0.00 178.83 177.08 1xsb h PHE 146 N 0.90 0.05 -0.86 3.99 3.57 -0.34 -2.57 116.94 121.69 1xsb h PHE 146 Ca 0.35 -0.02 0.15 0.00 3.53 0.00 0.00 57.97 61.98 1xsb h PHE 146 Cb 0.16 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.83 1xsb h PHE 146 CO -0.04 0.57 0.56 -0.07 -2.23 0.00 0.00 178.31 177.09 1xsb h LEU 147 N -0.48 0.57 0.00 0.59 3.38 -0.92 1.39 115.31 119.85 1xsb h LEU 147 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1xsb h LEU 147 Cb 0.56 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1xsb h LEU 147 CO 0.01 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.82 1xsb n SER 149 N -1.48 0.65 0.00 0.00 2.88 0.47 -4.83 113.62 111.31 1xsb n SER 149 Ca 0.06 -0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1xsb n SER 149 Cb 0.27 0.50 0.00 0.00 -0.75 0.00 0.00 64.21 64.23 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 -2.01 0.00 0.00 2.46 5.41 -0.84 -5.08 119.36 119.30 1xsb n ILE 150 Ca 0.03 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.78 1xsb n ILE 150 Cb 0.43 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.36 1xsb n ILE 150 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1xsb n GLU 151 N 0.00 0.00 0.00 0.38 4.07 -1.26 -5.08 120.64 118.75 1xsb n GLU 151 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1xsb n GLU 151 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1xsb n GLU 151 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1xsb n ALA 152 N -1.64 0.53 1.23 4.31 0.00 -1.26 -5.08 120.51 118.60 1xsb n ALA 152 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1xsb n ALA 152 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.75 1xsb n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78