#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bjo h LEU 3 N 0.00 -0.00 -7.64 0.00 3.38 -2.13 -3.47 115.31 105.45 2bjo h LEU 3 Ca 0.00 -0.86 -0.10 0.00 0.09 0.00 0.00 57.88 57.01 2bjo h LEU 3 Cb 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.58 2bjo h LEU 3 CO 0.00 0.86 -0.31 0.72 0.09 0.00 0.00 178.44 179.80 2bjo s PHE 4 N -2.75 -0.03 -0.17 1.13 -0.12 -1.26 -5.15 117.98 109.62 2bjo s PHE 4 Ca -0.18 -0.15 0.01 0.00 -0.05 0.00 0.00 56.93 56.56 2bjo s PHE 4 Cb -0.02 0.04 0.03 0.00 -0.63 0.00 0.00 43.02 42.44 2bjo s PHE 4 CO 0.68 -0.47 -0.12 0.99 -0.05 0.00 0.00 175.22 176.25 2bjo s THR 5 N -2.58 1.58 0.14 -4.49 2.01 -1.26 -5.12 115.64 105.92 2bjo s THR 5 Ca -0.05 -0.81 -0.25 0.00 0.31 0.00 0.00 61.69 60.90 2bjo s THR 5 Cb -0.01 -1.58 -0.08 0.00 0.01 0.00 0.00 72.50 70.85 2bjo s THR 5 CO -0.04 0.31 0.76 0.00 -0.69 0.00 0.00 174.62 174.96 2bjo s ALA 6 N 1.45 3.45 -0.07 7.40 0.00 -1.26 -5.08 121.76 127.65 2bjo s ALA 6 Ca 0.02 0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.32 2bjo s ALA 6 Cb -0.14 -2.93 0.02 0.00 0.00 0.00 0.00 23.12 20.06 2bjo s ALA 6 CO -0.09 0.27 -0.09 0.15 0.00 0.00 0.00 175.76 176.00 2bjo s LYS 7 N -1.00 1.43 -0.01 0.00 1.02 -1.26 -5.12 119.74 114.80 2bjo s LYS 7 Ca 0.35 -0.29 -0.01 0.00 0.02 0.00 0.00 55.97 56.05 2bjo s LYS 7 Cb -0.22 -1.31 0.01 0.00 -0.52 0.00 0.00 37.83 35.79 2bjo s LYS 7 CO 0.25 -0.08 0.02 0.08 -0.92 0.00 0.00 175.35 174.71 2bjo s VAL 8 N 1.01 -0.01 -0.12 3.17 1.01 -1.26 -1.37 120.40 122.82 2bjo s VAL 8 Ca -0.09 0.04 0.00 0.00 0.00 0.00 0.00 61.98 61.94 2bjo s VAL 8 Cb -0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 2bjo s VAL 8 CO -0.00 0.02 -0.14 -0.89 0.00 0.00 0.00 175.10 174.09 2bjo s THR 9 N 0.22 3.01 -0.24 3.92 2.01 -0.56 -4.97 115.64 119.02 2bjo s THR 9 Ca -0.02 -0.68 -0.08 0.00 0.31 0.00 0.00 61.69 61.23 2bjo s THR 9 Cb -0.03 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 2bjo s THR 9 CO -0.01 0.53 0.08 0.00 -0.69 0.00 0.00 174.62 174.53 2bjo s ALA 10 N 0.28 3.21 -0.11 7.40 0.00 -1.26 -1.27 121.76 130.02 2bjo s ALA 10 Ca -0.10 -1.08 -0.17 0.00 0.00 0.00 0.00 51.96 50.62 2bjo s ALA 10 Cb -0.16 -2.08 -0.05 0.00 0.00 0.00 0.00 23.12 20.83 2bjo s ALA 10 CO 0.06 -0.41 0.42 0.50 0.00 0.00 0.00 175.76 176.33 2bjo s ARG 11 N 1.47 4.25 2.64 0.00 3.52 0.46 -4.97 118.95 126.31 2bjo s ARG 11 Ca 0.06 0.36 0.00 0.00 -0.13 0.00 0.00 55.73 56.02 2bjo s ARG 11 Cb -0.15 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 29.85 2bjo s ARG 11 CO 0.04 0.27 0.00 0.41 -0.81 0.00 0.00 175.30 175.21 2bjo n GLY 12 N 3.03 -0.11 0.00 8.12 0.00 -1.26 -1.55 105.19 113.42 2bjo n GLY 12 Ca -0.09 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.90 2bjo n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjo n GLY 13 N 0.00 1.72 0.28 -0.02 0.00 -1.26 -4.78 105.19 101.13 2bjo n GLY 13 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 2bjo n GLY 13 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2bjo h ARG 14 N 0.00 0.00 0.00 1.61 0.11 -1.94 -2.09 114.38 112.07 2bjo h ARG 14 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 2bjo h ARG 14 Cb 0.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.06 2bjo h ARG 14 CO 0.00 0.08 -0.42 0.00 0.10 0.00 0.00 179.97 179.72 2bjo n ALA 15 N -2.18 3.28 -1.14 0.08 0.00 -1.26 -4.31 120.51 114.97 2bjo n ALA 15 Ca -0.01 -3.08 0.00 0.00 0.00 0.00 0.00 53.44 50.35 2bjo n ALA 15 Cb 0.24 -0.38 0.00 0.00 0.00 0.00 0.00 19.45 19.32 2bjo n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bjo n GLY 16 N -1.09 1.05 3.28 0.00 0.00 -0.79 -4.66 105.19 102.98 2bjo n GLY 16 Ca 0.17 -1.54 -0.13 0.00 0.00 0.00 0.00 46.02 44.52 2bjo n GLY 16 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2bjo s HIS 17 N 0.42 -0.36 -0.03 1.61 2.46 -0.60 0.20 115.29 119.00 2bjo s HIS 17 Ca 0.00 0.80 0.07 0.00 0.47 0.00 0.00 55.06 56.41 2bjo s HIS 17 Cb 0.00 0.14 -0.02 0.00 -0.13 0.00 0.00 32.58 32.57 2bjo s HIS 17 CO 0.00 -0.29 -0.25 0.96 -2.47 0.00 0.00 174.74 172.70 2bjo s ILE 18 N -0.36 2.15 -0.08 0.89 -4.36 0.16 -0.40 121.20 119.20 2bjo s ILE 18 Ca -0.05 -1.07 -0.02 0.00 -0.26 0.00 0.00 60.65 59.25 2bjo s ILE 18 Cb -0.03 -1.76 0.04 0.00 1.25 0.00 0.00 42.46 41.96 2bjo s ILE 18 CO 0.02 0.58 0.04 -0.89 0.24 0.00 0.00 174.94 174.93 2bjo s THR 19 N -0.57 0.11 0.69 8.37 2.01 -0.39 -0.36 115.64 125.51 2bjo s THR 19 Ca 0.09 0.17 -0.13 0.00 0.31 0.00 0.00 61.69 62.12 2bjo s THR 19 Cb -0.11 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 72.01 2bjo s THR 19 CO -0.00 0.12 1.09 -0.94 -0.69 0.00 0.00 174.62 174.20 2bjo s SER 20 N 2.07 5.02 0.50 3.53 1.04 0.39 -1.50 113.70 124.76 2bjo s SER 20 Ca 0.04 1.90 0.18 0.00 0.48 0.00 0.00 55.95 58.55 2bjo s SER 20 Cb -0.13 -2.54 1.25 0.00 0.10 0.00 0.00 66.02 64.71 2bjo s SER 20 CO -0.05 -1.69 2.09 -2.24 0.98 0.00 0.00 173.24 172.34 2bjo h ASP 21 N -0.32 0.00 -0.06 7.02 2.03 -1.57 -1.19 116.42 122.32 2bjo h ASP 21 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 2bjo h ASP 21 Cb 1.24 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.74 2bjo h ASP 21 CO 0.54 0.09 0.00 -0.90 -1.03 0.00 0.00 179.24 177.93 2bjo n ASP 22 N -4.27 1.71 0.00 4.15 5.68 -1.26 -4.96 116.55 117.59 2bjo n ASP 22 Ca -0.03 -1.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.66 2bjo n ASP 22 Cb 0.17 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.11 2bjo n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2bjo n GLY 23 N 1.19 0.66 0.20 6.12 0.00 -0.45 -4.90 105.19 108.01 2bjo n GLY 23 Ca 0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.11 2bjo n GLY 23 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2bjo h VAL 24 N 0.00 1.22 -3.65 1.61 2.07 -1.93 -3.38 116.25 112.19 2bjo h VAL 24 Ca 0.00 -0.71 -0.62 0.00 0.82 0.00 0.00 66.70 66.19 2bjo h VAL 24 Cb 0.00 0.92 -0.14 0.00 -1.52 0.00 0.00 31.29 30.55 2bjo h VAL 24 CO 0.00 0.25 -0.21 -0.76 0.02 0.00 0.00 177.57 176.87 2bjo s LEU 25 N -9.70 4.07 -0.32 2.57 1.02 -1.26 -5.00 118.68 110.06 2bjo s LEU 25 Ca -0.13 0.36 0.02 0.00 0.02 0.00 0.00 54.13 54.39 2bjo s LEU 25 Cb 0.10 -2.46 0.15 0.00 0.02 0.00 0.00 46.19 44.00 2bjo s LEU 25 CO 0.76 -0.16 0.36 -0.62 0.02 0.00 0.00 176.35 176.71 2bjo s ASP 26 N 1.47 1.10 -0.08 2.29 -1.08 -1.25 -0.46 116.67 118.66 2bjo s ASP 26 Ca 0.16 -0.92 -0.09 0.00 -0.52 0.00 0.00 52.55 51.19 2bjo s ASP 26 Cb -0.15 0.72 0.02 0.00 -1.46 0.00 0.00 42.92 42.05 2bjo s ASP 26 CO 0.09 -0.33 0.25 -0.36 0.52 0.00 0.00 175.17 175.34 2bjo s PHE 27 N 2.11 -0.24 0.46 -5.34 0.40 0.52 -5.01 117.98 110.87 2bjo s PHE 27 Ca 0.12 0.57 -0.23 0.00 -0.60 0.00 0.00 56.93 56.79 2bjo s PHE 27 Cb -0.14 0.08 -0.08 0.00 0.51 0.00 0.00 43.02 43.40 2bjo s PHE 27 CO -0.23 -0.17 1.14 -0.51 0.70 0.00 0.00 175.22 176.15 2bjo s ASP 28 N -0.13 6.23 -0.28 1.36 -0.00 -1.26 0.37 116.67 122.95 2bjo s ASP 28 Ca -0.03 2.24 -0.23 0.00 -0.00 0.00 0.00 52.55 54.53 2bjo s ASP 28 Cb -0.03 -2.60 -0.01 0.00 -0.00 0.00 0.00 42.92 40.29 2bjo s ASP 28 CO 0.01 -0.87 0.76 -0.63 -0.00 0.00 0.00 175.17 174.43 2bjo s ILE 29 N -1.60 4.85 -0.19 0.77 -1.09 0.13 -0.95 121.20 123.12 2bjo s ILE 29 Ca 0.64 1.24 0.00 0.00 -2.23 0.00 0.00 60.65 60.30 2bjo s ILE 29 Cb -0.27 -4.09 0.05 0.00 -1.58 0.00 0.00 42.46 36.57 2bjo s ILE 29 CO 0.32 -0.15 -0.06 -0.69 -1.23 0.00 0.00 174.94 173.13 2bjo s VAL 30 N 2.82 1.31 0.01 2.92 1.01 0.12 -4.14 120.40 124.46 2bjo s VAL 30 Ca 0.31 -0.83 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 2bjo s VAL 30 Cb -0.15 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2bjo s VAL 30 CO 0.10 0.09 1.15 -0.04 0.00 0.00 0.00 175.10 176.41 2bjo s MET 31 N 1.53 4.43 0.55 2.72 -1.94 -1.26 -4.36 119.30 120.97 2bjo s MET 31 Ca -0.01 1.67 0.23 0.00 -1.71 0.00 0.00 55.69 55.86 2bjo s MET 31 Cb -0.16 -3.43 1.45 0.00 2.01 0.00 0.00 34.83 34.70 2bjo s MET 31 CO -0.08 -0.27 2.12 -1.35 -0.01 0.00 0.00 175.02 175.43 2bjo h PRO 32 N 6.98 0.00 0.00 2.03 0.11 -1.98 -1.65 132.00 137.49 2bjo h PRO 32 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2bjo h PRO 32 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2bjo h PRO 32 CO 0.82 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.88 2bjo n ASN 33 N -4.26 0.00 -2.69 -2.05 6.94 -1.26 -4.10 115.26 107.84 2bjo n ASN 33 Ca 0.01 -1.32 -0.07 0.00 -0.02 0.00 0.00 54.58 53.18 2bjo n ASN 33 Cb 0.25 0.00 0.06 0.00 -2.36 0.00 0.00 39.78 37.74 2bjo n ASN 33 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2bjo n ALA 34 N -0.82 2.67 -2.56 -2.53 0.00 -0.63 -4.95 120.51 111.69 2bjo n ALA 34 Ca 0.15 -2.43 -0.15 0.00 0.00 0.00 0.00 53.44 51.00 2bjo n ALA 34 Cb 0.07 -0.94 0.02 0.00 0.00 0.00 0.00 19.45 18.60 2bjo n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bjo n ALA 35 N -0.37 4.02 0.25 0.00 0.00 -1.20 -4.66 120.51 118.55 2bjo n ALA 35 Ca 0.04 -3.55 0.08 0.00 0.00 0.00 0.00 53.44 50.00 2bjo n ALA 35 Cb 0.83 -0.74 0.61 0.00 0.00 0.00 0.00 19.45 20.15 2bjo n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bjo h ALA 36 N 2.73 1.76 -0.15 0.00 0.00 -1.92 -2.34 119.26 119.33 2bjo h ALA 36 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2bjo h ALA 36 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 2bjo h ALA 36 CO 0.60 0.12 0.00 0.00 0.00 0.00 0.00 179.25 179.97 2bjo n ALA 37 N -2.48 2.53 -1.82 0.00 0.00 -1.26 -4.91 120.51 112.57 2bjo n ALA 37 Ca -0.03 -0.42 -0.03 0.00 0.00 0.00 0.00 53.44 52.96 2bjo n ALA 37 Cb 0.18 -1.11 -0.00 0.00 0.00 0.00 0.00 19.45 18.51 2bjo n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bjo n GLY 38 N 1.01 0.34 3.76 0.00 0.00 -0.88 -5.01 105.19 104.40 2bjo n GLY 38 Ca 0.14 -0.80 -0.40 0.00 0.00 0.00 0.00 46.02 44.95 2bjo n GLY 38 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2bjo n GLN 39 N -1.70 2.30 -3.85 1.61 3.00 -1.26 -5.00 117.38 112.47 2bjo n GLN 39 Ca -0.04 0.82 -0.35 0.00 -0.01 0.00 0.00 57.00 57.42 2bjo n GLN 39 Cb 0.42 -2.61 -0.09 0.00 0.00 0.00 0.00 30.24 27.96 2bjo n GLN 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2bjo s THR 40 N -1.18 5.06 -0.30 5.09 2.01 -1.26 -4.99 115.64 120.07 2bjo s THR 40 Ca 0.59 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.66 2bjo s THR 40 Cb -0.46 -3.31 0.00 0.00 0.01 0.00 0.00 72.50 68.74 2bjo s THR 40 CO 0.59 0.43 0.00 0.61 -0.69 0.00 0.00 174.62 175.56 2bjo n GLY 41 N 3.69 -1.22 2.30 4.40 0.00 -1.26 -4.60 105.19 108.51 2bjo n GLY 41 Ca -0.16 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.73 2bjo n GLY 41 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2bjo n THR 42 N 0.19 0.00 -3.78 2.61 5.66 -0.12 -4.59 114.28 114.25 2bjo n THR 42 Ca 0.00 -1.43 -0.09 0.00 -3.05 0.00 0.00 64.05 59.49 2bjo n THR 42 Cb 0.00 0.07 -0.03 0.00 -1.55 0.00 0.00 70.33 68.82 2bjo n THR 42 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2bjo s ASN 43 N -2.86 -0.29 0.43 1.09 2.20 -1.26 0.13 114.94 114.38 2bjo s ASN 43 Ca 0.09 -0.52 0.19 0.00 -0.94 0.00 0.00 52.86 51.67 2bjo s ASN 43 Cb -0.01 0.66 1.11 0.00 -2.00 0.00 0.00 41.25 41.02 2bjo s ASN 43 CO 0.06 -1.20 1.85 -0.65 -2.94 0.00 0.00 177.10 174.21 2bjo h PRO 44 N 2.07 0.37 -0.16 3.55 0.11 -1.99 -0.61 132.00 135.34 2bjo h PRO 44 Ca -0.24 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.65 2bjo h PRO 44 Cb 1.26 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 32.30 2bjo h PRO 44 CO 0.30 0.24 -0.66 0.93 -0.21 0.00 0.00 178.00 178.60 2bjo h GLU 45 N 0.38 0.72 -0.37 1.05 3.07 -1.97 -1.82 114.58 115.65 2bjo h GLU 45 Ca 0.48 -0.57 -0.16 0.00 -0.50 0.00 0.00 59.36 58.61 2bjo h GLU 45 Cb 1.24 0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.25 2bjo h GLU 45 CO -0.18 1.18 -0.39 0.37 -1.40 0.00 0.00 179.01 178.60 2bjo h GLN 46 N 0.43 0.89 -0.54 2.33 4.15 -1.78 -1.13 115.11 119.45 2bjo h GLN 46 Ca -0.04 -0.47 -0.07 0.00 0.77 0.00 0.00 58.65 58.85 2bjo h GLN 46 Cb 1.29 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.97 2bjo h GLN 46 CO 0.14 1.11 0.05 -0.07 -1.93 0.00 0.00 178.83 178.13 2bjo h LEU 47 N 0.72 0.84 -0.41 -2.39 3.38 -1.08 -1.70 115.31 114.67 2bjo h LEU 47 Ca 0.06 -0.19 -0.16 0.00 0.09 0.00 0.00 57.88 57.67 2bjo h LEU 47 Cb 0.97 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 2bjo h LEU 47 CO 0.09 0.87 -0.45 0.15 0.09 0.00 0.00 178.44 179.20 2bjo h PHE 48 N 0.82 1.04 -0.77 1.13 3.57 -1.26 -1.10 116.94 120.38 2bjo h PHE 48 Ca 0.16 -0.33 0.01 0.00 3.53 0.00 0.00 57.97 61.35 2bjo h PHE 48 Cb 0.42 -0.21 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 2bjo h PHE 48 CO 0.02 1.14 0.50 0.00 -2.23 0.00 0.00 178.31 177.75 2bjo h ALA 49 N 0.80 0.98 0.11 2.41 0.00 -1.00 0.01 119.26 122.57 2bjo h ALA 49 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2bjo h ALA 49 Cb 1.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2bjo h ALA 49 CO 0.10 0.37 -0.10 0.00 0.00 0.00 0.00 179.25 179.61 2bjo h ALA 50 N 1.29 -0.21 -0.25 0.00 0.00 -1.19 -1.80 119.26 117.11 2bjo h ALA 50 Ca 0.29 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2bjo h ALA 50 Cb -0.09 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2bjo h ALA 50 CO -0.07 -0.63 -0.11 0.78 0.00 0.00 0.00 179.25 179.22 2bjo h GLY 51 N -0.23 0.56 1.09 0.00 0.00 -1.00 -0.99 103.07 102.50 2bjo h GLY 51 Ca 0.00 -0.49 -0.19 0.00 0.00 0.00 0.00 47.33 46.65 2bjo h GLY 51 CO -0.03 0.45 -0.62 -1.82 0.00 0.00 0.00 176.54 174.52 2bjo h TYR 52 N 0.24 0.99 -0.14 5.60 5.03 -1.09 -0.25 116.97 127.36 2bjo h TYR 52 Ca 0.06 -0.41 0.04 0.00 2.58 0.00 0.00 58.73 61.01 2bjo h TYR 52 Cb 0.60 -0.17 -0.05 0.00 1.55 0.00 0.00 36.73 38.67 2bjo h TYR 52 CO 0.06 1.22 -0.17 0.00 -1.32 0.00 0.00 178.16 177.95 2bjo h ALA 53 N 0.58 -0.09 -0.06 1.82 0.00 -1.27 0.54 119.26 120.78 2bjo h ALA 53 Ca -0.02 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2bjo h ALA 53 Cb 1.25 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 2bjo h ALA 53 CO 0.13 -0.62 -0.11 0.00 0.00 0.00 0.00 179.25 178.65 2bjo h ALA 54 N 0.84 -0.07 -0.41 0.00 0.00 -1.14 -0.63 119.26 117.85 2bjo h ALA 54 Ca 0.10 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2bjo h ALA 54 Cb 0.35 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 2bjo h ALA 54 CO -0.26 -0.58 0.22 0.00 0.00 0.00 0.00 179.25 178.63 2bjo h PHE 56 N 0.44 1.08 -0.60 0.00 3.04 -0.81 0.16 116.94 120.27 2bjo h PHE 56 Ca 0.17 -0.26 -0.02 0.00 3.98 0.00 0.00 57.97 61.84 2bjo h PHE 56 Cb 0.05 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 38.28 2bjo h PHE 56 CO -0.09 1.07 0.29 0.78 -2.02 0.00 0.00 178.31 178.34 2bjo h GLY 57 N 0.89 0.92 0.84 2.40 0.00 -0.73 0.19 103.07 107.58 2bjo h GLY 57 Ca 0.10 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 46.95 2bjo h GLY 57 CO 0.07 0.43 0.02 -1.33 0.00 0.00 0.00 176.54 175.72 2bjo h GLY 58 N 0.81 0.40 0.59 4.60 0.00 -0.98 -2.00 103.07 106.49 2bjo h GLY 58 Ca 0.21 -0.28 0.06 0.00 0.00 0.00 0.00 47.33 47.32 2bjo h GLY 58 CO -0.03 0.26 0.23 0.00 0.00 0.00 0.00 176.54 177.00 2bjo h ALA 59 N 0.82 0.68 0.02 3.60 0.00 -0.41 -2.23 119.26 121.75 2bjo h ALA 59 Ca 0.06 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2bjo h ALA 59 Cb 0.36 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2bjo h ALA 59 CO 0.01 -0.14 -0.08 1.25 0.00 0.00 0.00 179.25 180.29 2bjo h LEU 60 N 0.45 -0.21 -0.72 0.00 5.85 -0.52 -1.20 115.31 118.96 2bjo h LEU 60 Ca 0.25 0.03 0.14 0.00 0.84 0.00 0.00 57.88 59.15 2bjo h LEU 60 Cb 0.23 0.09 -0.14 0.00 0.37 0.00 0.00 40.66 41.21 2bjo h LEU 60 CO -0.22 -0.11 -0.17 -0.33 -0.34 0.00 0.00 178.44 177.27 2bjo h GLU 61 N -0.14 0.00 0.15 1.25 5.08 -1.29 -1.81 114.58 117.82 2bjo h GLU 61 Ca 0.02 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2bjo h GLU 61 Cb 0.17 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 2bjo h GLU 61 CO -0.06 0.00 -0.07 1.25 -1.00 0.00 0.00 179.01 179.13 2bjo h HIS 62 N 0.00 -0.19 -0.71 4.33 2.76 -1.09 -1.58 115.15 118.68 2bjo h HIS 62 Ca 0.35 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.49 2bjo h HIS 62 Cb 0.53 0.06 -0.03 0.00 1.55 0.00 0.00 27.41 29.52 2bjo h HIS 62 CO -0.57 0.17 0.34 -0.39 -1.30 0.00 0.00 177.93 176.18 2bjo h VAL 63 N -0.58 1.23 -0.16 5.26 -1.51 -1.15 0.22 116.25 119.55 2bjo h VAL 63 Ca -0.02 -0.64 -0.01 0.00 -1.23 0.00 0.00 66.70 64.81 2bjo h VAL 63 Cb 0.44 0.32 -0.01 0.00 -2.13 0.00 0.00 31.29 29.92 2bjo h VAL 63 CO 0.03 0.27 0.08 0.00 -1.23 0.00 0.00 177.57 176.72 2bjo h ALA 64 N 1.37 0.21 -0.59 5.19 0.00 -1.36 -1.44 119.26 122.63 2bjo h ALA 64 Ca 0.25 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2bjo h ALA 64 Cb 0.10 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2bjo h ALA 64 CO -0.03 -0.24 0.39 -0.22 0.00 0.00 0.00 179.25 179.15 2bjo h LYS 65 N 0.14 0.78 -0.64 0.00 3.64 -0.87 0.44 116.57 120.06 2bjo h LYS 65 Ca 0.06 -0.05 0.17 0.00 -1.27 0.00 0.00 60.65 59.56 2bjo h LYS 65 Cb 0.10 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.72 2bjo h LYS 65 CO -0.01 0.52 0.45 0.93 -2.27 0.00 0.00 179.45 179.08 2bjo h GLU 66 N 0.81 0.06 -0.57 1.90 4.39 -0.32 0.63 114.58 121.49 2bjo h GLU 66 Ca 0.22 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.91 2bjo h GLU 66 Cb -0.09 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2bjo h GLU 66 CO -0.05 0.04 0.00 1.04 -1.16 0.00 0.00 179.01 178.89 2bjo n GLN 67 N -4.37 2.61 -3.10 2.33 1.13 -0.43 -4.94 117.38 110.60 2bjo n GLN 67 Ca 0.12 -1.86 -0.23 0.00 -1.94 0.00 0.00 57.00 53.09 2bjo n GLN 67 Cb 0.67 -1.59 0.03 0.00 0.11 0.00 0.00 30.24 29.46 2bjo n GLN 67 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 2bjo n ASN 68 N 0.76 -5.64 -4.34 1.08 3.02 0.21 -5.02 115.26 105.33 2bjo n ASN 68 Ca 0.17 -0.31 -0.33 0.00 -0.03 0.00 0.00 54.58 54.08 2bjo n ASN 68 Cb 0.57 -4.57 -0.14 0.00 -0.61 0.00 0.00 39.78 35.02 2bjo n ASN 68 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2bjo s ILE 69 N -3.13 3.02 -0.60 2.41 1.01 0.14 -4.96 121.20 119.09 2bjo s ILE 69 Ca 0.33 -0.66 -0.20 0.00 0.00 0.00 0.00 60.65 60.12 2bjo s ILE 69 Cb -0.15 -2.29 0.08 0.00 0.01 0.00 0.00 42.46 40.11 2bjo s ILE 69 CO 0.40 0.51 0.78 -0.70 0.00 0.00 0.00 174.94 175.93 2bjo s GLU 70 N 0.65 3.09 -0.01 2.79 2.12 -1.26 -2.55 118.70 123.52 2bjo s GLU 70 Ca -0.07 -1.07 -0.10 0.00 0.36 0.00 0.00 54.97 54.09 2bjo s GLU 70 Cb -0.15 -4.22 -0.05 0.00 0.26 0.00 0.00 34.13 29.96 2bjo s GLU 70 CO 0.03 -1.57 0.31 -1.50 -0.54 0.00 0.00 175.26 171.99 2bjo s ILE 71 N 3.12 5.22 -0.25 -3.70 2.07 -1.26 -5.07 121.20 121.33 2bjo s ILE 71 Ca 0.16 0.46 -0.04 0.00 -1.41 0.00 0.00 60.65 59.81 2bjo s ILE 71 Cb -0.21 -3.59 0.00 0.00 0.13 0.00 0.00 42.46 38.79 2bjo s ILE 71 CO 0.09 0.48 -0.00 1.51 -1.91 0.00 0.00 174.94 175.11 2bjo s ASP 72 N -1.34 4.61 -0.04 4.50 -4.77 -1.26 -4.96 116.67 113.40 2bjo s ASP 72 Ca 0.24 -0.58 0.05 0.00 -3.30 0.00 0.00 52.55 48.96 2bjo s ASP 72 Cb -0.14 -1.78 -0.02 0.00 -1.09 0.00 0.00 42.92 39.89 2bjo s ASP 72 CO 0.13 -0.10 -0.18 -0.55 0.70 0.00 0.00 175.17 175.17 2bjo s SER 73 N 1.46 3.71 -0.05 2.11 0.15 -1.26 -4.15 113.70 115.67 2bjo s SER 73 Ca 0.04 -0.29 -0.00 0.00 0.70 0.00 0.00 55.95 56.39 2bjo s SER 73 Cb -0.16 -0.71 0.03 0.00 -1.71 0.00 0.00 66.02 63.46 2bjo s SER 73 CO -0.01 0.33 -0.01 -0.70 1.20 0.00 0.00 173.24 174.05 2bjo s GLU 74 N -0.66 0.54 -0.08 5.44 2.12 -1.04 -5.03 118.70 119.99 2bjo s GLU 74 Ca 0.10 0.07 0.02 0.00 0.36 0.00 0.00 54.97 55.52 2bjo s GLU 74 Cb -0.11 -0.79 0.01 0.00 0.26 0.00 0.00 34.13 33.51 2bjo s GLU 74 CO 0.00 -0.21 -0.12 0.42 -0.54 0.00 0.00 175.26 174.81 2bjo s ILE 75 N 1.50 1.20 -0.28 -3.70 1.01 -1.26 0.01 121.20 119.68 2bjo s ILE 75 Ca -0.02 -0.49 -0.10 0.00 0.00 0.00 0.00 60.65 60.03 2bjo s ILE 75 Cb -0.13 -1.11 -0.03 0.00 0.01 0.00 0.00 42.46 41.19 2bjo s ILE 75 CO -0.03 0.38 0.15 -0.70 0.00 0.00 0.00 174.94 174.74 2bjo s GLU 76 N 0.85 3.72 -0.01 2.79 2.12 -0.50 -4.90 118.70 122.77 2bjo s GLU 76 Ca -0.11 -0.46 -0.18 0.00 0.36 0.00 0.00 54.97 54.58 2bjo s GLU 76 Cb -0.15 -3.56 -0.05 0.00 0.26 0.00 0.00 34.13 30.62 2bjo s GLU 76 CO 0.01 -0.24 0.51 0.20 -0.54 0.00 0.00 175.26 175.20 2bjo s GLY 77 N 1.69 2.54 -0.24 -1.50 0.00 -1.26 -1.04 107.32 107.51 2bjo s GLY 77 Ca 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 44.72 44.69 2bjo s GLY 77 CO 0.08 0.52 0.00 1.20 0.00 0.00 0.00 173.10 174.90 2bjo s GLN 78 N -0.47 1.15 -0.24 2.90 -0.21 0.31 -4.88 119.66 118.21 2bjo s GLN 78 Ca 0.27 -0.84 -0.02 0.00 0.02 0.00 0.00 55.36 54.79 2bjo s GLN 78 Cb -0.17 -2.36 0.01 0.00 1.00 0.00 0.00 33.01 31.49 2bjo s GLN 78 CO 0.15 -0.68 -0.06 0.08 -2.12 0.00 0.00 175.29 172.66 2bjo s VAL 79 N 1.57 3.03 -0.14 1.09 1.01 -1.26 -1.12 120.40 124.59 2bjo s VAL 79 Ca -0.01 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 2bjo s VAL 79 Cb -0.18 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.68 2bjo s VAL 79 CO -0.10 0.28 0.10 -0.44 0.00 0.00 0.00 175.10 174.94 2bjo s SER 80 N 1.38 6.05 -0.19 3.32 0.01 0.01 -4.82 113.70 119.45 2bjo s SER 80 Ca 0.02 0.32 -0.16 0.00 1.31 0.00 0.00 55.95 57.44 2bjo s SER 80 Cb -0.16 -1.95 -0.04 0.00 0.21 0.00 0.00 66.02 64.08 2bjo s SER 80 CO -0.04 0.33 0.40 -0.22 0.41 0.00 0.00 173.24 174.12 2bjo s LEU 81 N -0.57 4.17 0.22 2.44 2.96 -1.26 -1.59 118.68 125.05 2bjo s LEU 81 Ca 0.12 0.54 0.09 0.00 -0.22 0.00 0.00 54.13 54.66 2bjo s LEU 81 Cb -0.12 -2.52 -0.05 0.00 0.50 0.00 0.00 46.19 44.00 2bjo s LEU 81 CO 0.02 -0.06 -0.17 -0.04 -1.32 0.00 0.00 176.35 174.77 2bjo s MET 82 N 1.23 1.43 0.46 1.98 -1.94 0.15 -4.99 119.30 117.62 2bjo s MET 82 Ca 0.19 -1.60 -0.23 0.00 -1.71 0.00 0.00 55.69 52.34 2bjo s MET 82 Cb -0.15 -1.40 -0.07 0.00 2.01 0.00 0.00 34.83 35.22 2bjo s MET 82 CO 0.08 0.26 1.15 0.15 -0.01 0.00 0.00 175.02 176.64 2bjo s LYS 83 N -3.37 3.78 -0.31 2.03 -0.14 -1.26 -1.00 119.74 119.46 2bjo s LYS 83 Ca 0.23 1.72 0.00 0.00 -1.36 0.00 0.00 55.97 56.57 2bjo s LYS 83 Cb -0.03 -2.39 0.07 0.00 -1.68 0.00 0.00 37.83 33.80 2bjo s LYS 83 CO 0.09 -0.52 0.01 0.34 -0.76 0.00 0.00 175.35 174.51 2bjo s ASP 84 N -1.43 4.82 0.38 2.83 -1.08 0.57 -4.63 116.67 118.12 2bjo s ASP 84 Ca 0.64 -1.55 0.19 0.00 -0.52 0.00 0.00 52.55 51.31 2bjo s ASP 84 Cb -0.27 -1.68 0.64 0.00 -1.46 0.00 0.00 42.92 40.16 2bjo s ASP 84 CO 0.33 -0.30 1.71 1.05 0.52 0.00 0.00 175.17 178.48 2bjo h GLU 85 N 7.89 0.00 -0.86 4.34 -0.00 -1.95 0.51 114.58 124.51 2bjo h GLU 85 Ca -0.17 0.00 0.14 0.00 -0.00 0.00 0.00 59.36 59.33 2bjo h GLU 85 Cb 1.05 0.00 -0.07 0.00 -0.00 0.00 0.00 28.75 29.73 2bjo h GLU 85 CO 0.54 0.36 0.56 0.66 -0.00 0.00 0.00 179.01 181.12 2bjo h SER 86 N 0.00 0.60 0.00 3.06 4.64 -1.97 -3.30 113.55 116.59 2bjo h SER 86 Ca -0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2bjo h SER 86 Cb 0.94 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2bjo h SER 86 CO 0.05 0.31 0.00 -0.90 -0.87 0.00 0.00 176.83 175.42 2bjo n ASP 87 N -4.54 0.54 -1.18 4.97 5.75 -1.13 -5.01 116.55 115.95 2bjo n ASP 87 Ca 0.16 -1.26 -0.15 0.00 -0.01 0.00 0.00 54.79 53.53 2bjo n ASP 87 Cb 0.47 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.49 2bjo n ASP 87 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bjo n GLY 88 N -0.13 1.55 0.00 6.12 0.00 0.17 -4.97 105.19 107.93 2bjo n GLY 88 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.79 2bjo n GLY 88 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bjo n GLY 89 N -0.90 2.99 3.20 -0.02 0.00 -0.76 -4.83 105.19 104.87 2bjo n GLY 89 Ca -0.15 -1.81 -0.16 0.00 0.00 0.00 0.00 46.02 43.90 2bjo n GLY 89 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bjo s PHE 90 N 3.35 1.20 0.14 1.61 0.40 -1.26 -0.32 117.98 123.11 2bjo s PHE 90 Ca 0.00 -0.60 -0.14 0.00 -0.60 0.00 0.00 56.93 55.59 2bjo s PHE 90 Cb 0.00 -0.64 0.02 0.00 0.51 0.00 0.00 43.02 42.91 2bjo s PHE 90 CO 0.00 0.06 0.38 -1.59 0.70 0.00 0.00 175.22 174.77 2bjo s LYS 91 N -2.66 1.13 0.01 0.44 -2.85 -0.17 -4.71 119.74 110.92 2bjo s LYS 91 Ca 0.06 -0.87 0.00 0.00 -1.00 0.00 0.00 55.97 54.16 2bjo s LYS 91 Cb -0.04 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 36.14 2bjo s LYS 91 CO 0.01 -0.44 0.08 0.42 0.10 0.00 0.00 175.35 175.53 2bjo s ILE 92 N -3.86 4.72 0.08 3.79 1.01 -1.26 0.29 121.20 125.97 2bjo s ILE 92 Ca 0.07 -0.45 0.10 0.00 0.00 0.00 0.00 60.65 60.37 2bjo s ILE 92 Cb 0.02 -3.18 -0.03 0.00 0.01 0.00 0.00 42.46 39.28 2bjo s ILE 92 CO -0.07 0.32 -0.25 -0.83 0.00 0.00 0.00 174.94 174.10 2bjo s GLY 93 N -1.84 1.42 -0.04 6.18 0.00 -0.62 -4.44 107.32 107.98 2bjo s GLY 93 Ca 0.24 -1.31 0.04 0.00 0.00 0.00 0.00 44.72 43.69 2bjo s GLY 93 CO 0.15 -1.24 -0.17 0.14 0.00 0.00 0.00 173.10 171.98 2bjo s VAL 94 N -0.92 1.39 -0.03 1.40 1.01 -0.53 -0.81 120.40 121.91 2bjo s VAL 94 Ca 0.12 -0.69 0.07 0.00 0.00 0.00 0.00 61.98 61.47 2bjo s VAL 94 Cb -0.10 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 2bjo s VAL 94 CO 0.04 0.40 -0.23 -0.89 0.00 0.00 0.00 175.10 174.41 2bjo s THR 95 N 0.05 1.86 -0.15 3.92 2.01 -0.27 -0.98 115.64 122.08 2bjo s THR 95 Ca -0.04 -1.00 0.01 0.00 0.31 0.00 0.00 61.69 60.98 2bjo s THR 95 Cb -0.11 -1.55 0.02 0.00 0.01 0.00 0.00 72.50 70.86 2bjo s THR 95 CO 0.02 0.53 -0.18 -0.76 -0.69 0.00 0.00 174.62 173.54 2bjo s LEU 96 N -0.46 1.93 -0.35 4.42 1.43 0.11 -0.53 118.68 125.22 2bjo s LEU 96 Ca 0.07 -0.56 -0.11 0.00 -1.03 0.00 0.00 54.13 52.50 2bjo s LEU 96 Cb -0.10 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.80 2bjo s LEU 96 CO -0.00 0.01 0.20 -0.69 0.23 0.00 0.00 176.35 176.10 2bjo s VAL 97 N 1.18 4.79 -0.35 -1.59 1.01 -0.21 -0.53 120.40 124.70 2bjo s VAL 97 Ca 0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 2bjo s VAL 97 Cb -0.14 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2bjo s VAL 97 CO -0.08 -0.09 0.25 -0.69 0.00 0.00 0.00 175.10 174.50 2bjo s VAL 98 N 1.62 5.28 -0.46 2.92 1.01 0.15 -1.41 120.40 129.51 2bjo s VAL 98 Ca 0.04 -0.25 -0.17 0.00 0.00 0.00 0.00 61.98 61.61 2bjo s VAL 98 Cb -0.18 -3.74 0.05 0.00 0.00 0.00 0.00 36.38 32.51 2bjo s VAL 98 CO 0.08 -0.05 0.44 0.21 0.00 0.00 0.00 175.10 175.78 2bjo s ASN 99 N 1.72 6.17 -0.56 3.32 2.47 0.10 -2.34 114.94 125.82 2bjo s ASN 99 Ca 0.06 -1.06 -0.07 0.00 0.42 0.00 0.00 52.86 52.20 2bjo s ASN 99 Cb -0.18 -2.21 0.15 0.00 -1.45 0.00 0.00 41.25 37.56 2bjo s ASN 99 CO 0.11 -0.66 0.42 0.42 -3.72 0.00 0.00 177.10 173.66 2bjo s THR 100 N 1.95 4.17 0.52 -5.21 -4.23 -1.14 -2.49 115.64 109.21 2bjo s THR 100 Ca 0.08 -2.26 -0.19 0.00 -1.18 0.00 0.00 61.69 58.14 2bjo s THR 100 Cb -0.21 -3.72 -0.07 0.00 1.34 0.00 0.00 72.50 69.84 2bjo s THR 100 CO 0.09 -0.83 1.07 -0.54 -0.54 0.00 0.00 174.62 173.87 2bjo s LYS 101 N 0.75 3.59 -1.50 3.99 -0.14 -1.26 -3.81 119.74 121.36 2bjo s LYS 101 Ca 0.11 1.41 -0.15 0.00 -1.36 0.00 0.00 55.97 55.98 2bjo s LYS 101 Cb -0.22 -2.06 0.12 0.00 -1.68 0.00 0.00 37.83 34.00 2bjo s LYS 101 CO -0.03 -0.62 0.68 -3.47 -0.76 0.00 0.00 175.35 171.15 2bjo n ASP 102 N -1.23 -3.49 -3.76 2.83 -0.08 -1.26 -4.87 116.55 104.69 2bjo n ASP 102 Ca 0.10 -0.74 -0.14 0.00 -1.51 0.00 0.00 54.79 52.50 2bjo n ASP 102 Cb 0.52 -2.87 -0.15 0.00 2.34 0.00 0.00 41.12 40.96 2bjo n ASP 102 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2bjo s LEU 103 N -6.93 0.88 -0.22 -2.67 2.96 -1.25 -5.13 118.68 106.32 2bjo s LEU 103 Ca 0.61 0.23 -0.37 0.00 -0.22 0.00 0.00 54.13 54.38 2bjo s LEU 103 Cb -0.33 0.26 -0.13 0.00 0.50 0.00 0.00 46.19 46.49 2bjo s LEU 103 CO 0.75 -0.13 1.90 -0.67 -1.32 0.00 0.00 176.35 176.87 2bjo n ASP 104 N 4.10 2.76 -0.05 3.68 2.03 -1.26 -4.82 116.55 122.99 2bjo n ASP 104 Ca -0.26 0.89 0.15 0.00 0.52 0.00 0.00 54.79 56.09 2bjo n ASP 104 Cb 0.52 -1.26 0.57 0.00 -0.72 0.00 0.00 41.12 40.23 2bjo n ASP 104 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 2bjo h ARG 105 N 9.19 0.24 -0.16 -0.67 3.08 -1.97 0.30 114.38 124.38 2bjo h ARG 105 Ca -0.43 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 59.56 2bjo h ARG 105 Cb 1.30 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 2bjo h ARG 105 CO 0.97 0.16 -0.07 1.49 -1.07 0.00 0.00 179.97 181.45 2bjo h GLU 106 N 0.25 0.33 -0.40 0.04 4.81 -2.00 -0.54 114.58 117.08 2bjo h GLU 106 Ca 0.27 -0.14 -0.15 0.00 -0.13 0.00 0.00 59.36 59.21 2bjo h GLU 106 Cb 0.73 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2bjo h GLU 106 CO -0.06 0.64 -0.35 -0.22 -0.73 0.00 0.00 179.01 178.29 2bjo h LYS 107 N 0.02 0.95 -0.38 1.92 1.63 -1.72 -2.72 116.57 116.27 2bjo h LYS 107 Ca 0.04 -0.48 0.07 0.00 -0.85 0.00 0.00 60.65 59.43 2bjo h LYS 107 Cb 0.53 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.10 2bjo h LYS 107 CO 0.02 1.14 -0.06 0.00 -3.45 0.00 0.00 179.45 177.10 2bjo h ALA 108 N 0.79 0.28 -0.58 5.00 0.00 -0.36 -0.80 119.26 123.59 2bjo h ALA 108 Ca 0.07 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 2bjo h ALA 108 Cb 0.94 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2bjo h ALA 108 CO 0.09 -0.44 0.34 0.37 0.00 0.00 0.00 179.25 179.61 2bjo h GLN 109 N 0.03 0.79 -0.56 0.00 5.75 -1.07 -1.14 115.11 118.91 2bjo h GLN 109 Ca 0.18 -0.08 0.08 0.00 -0.15 0.00 0.00 58.65 58.68 2bjo h GLN 109 Cb 0.27 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 28.60 2bjo h GLN 109 CO -0.36 0.58 0.22 1.49 -2.65 0.00 0.00 178.83 178.11 2bjo h GLU 110 N 0.78 0.40 -0.49 1.69 4.81 -1.12 -0.37 114.58 120.28 2bjo h GLU 110 Ca 0.21 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.29 2bjo h GLU 110 Cb 0.00 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 2bjo h GLU 110 CO -0.04 0.26 -0.18 -0.07 -0.73 0.00 0.00 179.01 178.25 2bjo h LEU 111 N 0.41 0.98 -0.25 1.64 3.38 -0.94 -1.90 115.31 118.63 2bjo h LEU 111 Ca 0.28 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.91 2bjo h LEU 111 Cb 0.30 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2bjo h LEU 111 CO -0.27 1.14 0.13 0.58 0.09 0.00 0.00 178.44 180.11 2bjo h VAL 112 N 0.84 1.00 -0.69 1.22 2.07 -0.90 0.22 116.25 120.01 2bjo h VAL 112 Ca 0.12 -0.09 0.08 0.00 0.82 0.00 0.00 66.70 67.62 2bjo h VAL 112 Cb 0.75 0.71 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 2bjo h VAL 112 CO 0.06 0.05 0.36 0.78 0.02 0.00 0.00 177.57 178.84 2bjo h ASN 113 N 0.27 0.50 -0.36 0.57 2.35 -0.99 -1.91 115.58 116.02 2bjo h ASN 113 Ca 0.10 0.05 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 2bjo h ASN 113 Cb 0.02 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 2bjo h ASN 113 CO -0.07 0.31 0.01 0.00 -1.65 0.00 0.00 177.43 176.03 2bjo h ALA 114 N 1.39 0.48 -0.70 -0.83 0.00 -1.09 -3.17 119.26 115.35 2bjo h ALA 114 Ca 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2bjo h ALA 114 Cb 0.28 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2bjo h ALA 114 CO -0.23 0.23 0.44 0.00 0.00 0.00 0.00 179.25 179.69 2bjo h ALA 115 N 0.87 1.46 -0.24 0.00 0.00 -0.73 -2.41 119.26 118.21 2bjo h ALA 115 Ca 0.10 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2bjo h ALA 115 Cb 0.44 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2bjo h ALA 115 CO 0.02 0.48 -0.01 1.25 0.00 0.00 0.00 179.25 180.99 2bjo h HIS 116 N 0.95 0.36 -0.02 0.00 6.17 -1.32 0.93 115.15 122.22 2bjo h HIS 116 Ca 0.25 -0.03 -0.21 0.00 0.71 0.00 0.00 60.37 61.10 2bjo h HIS 116 Cb -0.07 -0.11 -0.00 0.00 2.52 0.00 0.00 27.41 29.75 2bjo h HIS 116 CO 0.00 0.38 -0.86 0.93 0.71 0.00 0.00 177.93 179.09 2bjo h GLU 117 N 0.34 0.35 -0.01 5.26 5.08 -1.42 -3.35 114.58 120.83 2bjo h GLU 117 Ca 0.08 -0.35 -0.13 0.00 -1.00 0.00 0.00 59.36 57.96 2bjo h GLU 117 Cb 0.26 0.09 0.01 0.00 0.50 0.00 0.00 28.75 29.61 2bjo h GLU 117 CO 0.01 1.02 -0.51 0.35 -1.00 0.00 0.00 179.01 178.89 2bjo h PHE 118 N 0.21 0.53 -2.29 4.33 3.57 -0.98 -3.46 116.94 118.85 2bjo h PHE 118 Ca -0.06 -0.28 -0.54 0.00 3.53 0.00 0.00 57.97 60.62 2bjo h PHE 118 Cb 1.47 -0.06 0.02 0.00 2.79 0.00 0.00 35.95 40.17 2bjo h PHE 118 CO 0.05 1.09 1.25 0.00 -2.23 0.00 0.00 178.31 178.47 2bjo h PRO 120 N 10.87 0.00 -0.03 0.00 0.11 -1.91 -1.16 132.00 139.89 2bjo h PRO 120 Ca -0.49 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.45 2bjo h PRO 120 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2bjo h PRO 120 CO 0.94 0.00 -0.74 1.88 -0.21 0.00 0.00 178.00 179.87 2bjo h TYR 121 N 0.00 0.25 -0.20 0.65 -1.99 -1.96 -1.83 116.97 111.88 2bjo h TYR 121 Ca 0.08 -0.12 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 2bjo h TYR 121 Cb 0.52 -0.03 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 2bjo h TYR 121 CO 0.00 0.85 0.00 0.77 -0.00 0.00 0.00 178.16 179.79 2bjo h SER 122 N 0.12 0.35 -0.88 3.88 0.02 -1.50 -2.36 113.55 113.17 2bjo h SER 122 Ca -0.02 -0.31 0.06 0.00 -0.84 0.00 0.00 61.79 60.68 2bjo h SER 122 Cb 1.31 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.70 2bjo h SER 122 CO 0.11 0.57 0.56 0.11 -1.14 0.00 0.00 176.83 177.04 2bjo h LYS 123 N 0.11 1.00 -0.49 3.45 1.57 -1.43 -2.16 116.57 118.61 2bjo h LYS 123 Ca 0.06 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 2bjo h LYS 123 Cb 0.39 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2bjo h LYS 123 CO 0.01 0.66 -0.01 0.00 -0.57 0.00 0.00 179.45 179.54 2bjo h ALA 124 N 1.40 1.06 -0.02 3.86 0.00 -1.30 -3.24 119.26 121.03 2bjo h ALA 124 Ca 0.38 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2bjo h ALA 124 Cb 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2bjo h ALA 124 CO -0.16 0.59 -0.25 0.25 0.00 0.00 0.00 179.25 179.67 2bjo n THR 125 N -4.21 0.00 -1.70 0.00 -2.24 -0.89 -5.01 114.28 100.23 2bjo n THR 125 Ca 0.02 -0.32 -0.61 0.00 -2.27 0.00 0.00 64.05 60.88 2bjo n THR 125 Cb 0.31 1.15 -0.08 0.00 -2.10 0.00 0.00 70.33 69.61 2bjo n THR 125 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 2bjo n ARG 126 N 0.36 0.67 -0.42 -0.78 0.63 -0.83 -1.64 116.66 114.65 2bjo n ARG 126 Ca 0.12 0.24 0.00 0.00 -0.92 0.00 0.00 57.85 57.29 2bjo n ARG 126 Cb 0.49 -1.85 0.00 0.00 0.45 0.00 0.00 32.46 31.55 2bjo n ARG 126 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2bjo n GLY 127 N 3.77 1.56 0.02 5.14 0.00 -1.26 -4.80 105.19 109.63 2bjo n GLY 127 Ca 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.28 2bjo n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bjo n ASN 128 N 0.00 3.15 -4.25 1.61 3.02 -0.65 -4.99 115.26 113.15 2bjo n ASN 128 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 2bjo n ASN 128 Cb 0.00 0.96 -0.17 0.00 -0.61 0.00 0.00 39.78 39.96 2bjo n ASN 128 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2bjo s VAL 129 N -2.33 2.02 -0.39 2.41 1.01 -1.13 -4.99 120.40 117.00 2bjo s VAL 129 Ca -0.03 -1.04 -0.29 0.00 0.00 0.00 0.00 61.98 60.62 2bjo s VAL 129 Cb 0.03 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.70 2bjo s VAL 129 CO 0.32 0.56 1.48 -0.62 0.00 0.00 0.00 175.10 176.84 2bjo s ASP 130 N -0.06 6.27 -0.24 3.32 -1.08 -1.26 -4.91 116.67 118.71 2bjo s ASP 130 Ca -0.06 0.95 -0.01 0.00 -0.52 0.00 0.00 52.55 52.91 2bjo s ASP 130 Cb -0.14 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.81 2bjo s ASP 130 CO 0.05 -1.46 -0.08 -0.69 0.52 0.00 0.00 175.17 173.50 2bjo s VAL 131 N 5.64 2.74 -0.19 1.11 1.01 -1.25 -1.45 120.40 128.00 2bjo s VAL 131 Ca 0.65 -1.05 -0.08 0.00 0.00 0.00 0.00 61.98 61.49 2bjo s VAL 131 Cb -0.16 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.80 2bjo s VAL 131 CO 0.32 0.23 0.09 -0.54 0.00 0.00 0.00 175.10 175.20 2bjo s LYS 132 N 1.31 4.04 -0.34 2.72 1.02 -0.16 -5.00 119.74 123.33 2bjo s LYS 132 Ca 0.00 -0.31 -0.07 0.00 0.02 0.00 0.00 55.97 55.61 2bjo s LYS 132 Cb -0.16 -3.29 0.03 0.00 -0.52 0.00 0.00 37.83 33.89 2bjo s LYS 132 CO -0.05 0.26 0.12 -0.51 -0.92 0.00 0.00 175.35 174.24 2bjo s LEU 133 N 0.42 4.32 0.09 3.17 1.43 -1.26 0.04 118.68 126.90 2bjo s LEU 133 Ca 0.05 -1.07 0.10 0.00 -1.03 0.00 0.00 54.13 52.18 2bjo s LEU 133 Cb -0.12 -1.89 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 2bjo s LEU 133 CO -0.00 -0.32 -0.26 -1.61 0.23 0.00 0.00 176.35 174.39 2bjo s GLU 134 N 1.43 1.50 0.53 1.70 2.02 0.31 -4.98 118.70 121.21 2bjo s GLU 134 Ca -0.01 -1.23 0.06 0.00 0.02 0.00 0.00 54.97 53.81 2bjo s GLU 134 Cb -0.19 -1.85 0.03 0.00 0.10 0.00 0.00 34.13 32.22 2bjo s GLU 134 CO 0.03 0.45 0.42 -0.51 0.02 0.00 0.00 175.26 175.67 2bjo s LEU 135 N -1.73 2.82 0.00 1.80 1.43 -1.26 0.30 118.68 122.04 2bjo s LEU 135 Ca 0.12 -1.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 2bjo s LEU 135 Cb -0.10 -1.32 0.00 0.00 0.03 0.00 0.00 46.19 44.80 2bjo s LEU 135 CO 0.04 -1.05 0.00 2.29 0.23 0.00 0.00 176.35 177.87