#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g90 s PRO 2 N 0.00 3.00 0.34 0.00 0.04 -1.26 -4.78 135.00 132.33 1g90 s PRO 2 Ca 0.00 1.73 -0.02 0.00 0.04 0.00 0.00 61.00 62.75 1g90 s PRO 2 Cb 0.00 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.60 1g90 s PRO 2 CO 0.00 -1.16 0.46 0.21 0.04 0.00 0.00 177.00 176.55 1g90 s LYS 3 N -3.42 1.88 2.41 4.56 2.47 -1.26 -5.00 119.74 121.37 1g90 s LYS 3 Ca 0.75 -1.76 0.00 0.00 -1.56 0.00 0.00 55.97 53.40 1g90 s LYS 3 Cb -0.28 0.43 0.00 0.00 -1.46 0.00 0.00 37.83 36.53 1g90 s LYS 3 CO 0.33 -0.77 0.00 -3.47 0.16 0.00 0.00 175.35 171.60 1g90 n ASP 4 N -1.37 -3.50 -3.29 1.43 2.03 -1.26 -4.81 116.55 105.77 1g90 n ASP 4 Ca 0.01 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.10 1g90 n ASP 4 Cb 0.62 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 41.21 1g90 n ASP 4 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1g90 n ASN 5 N -3.11 -1.85 -3.58 1.67 0.23 -1.26 -4.64 115.26 102.72 1g90 n ASN 5 Ca 0.00 -1.00 -0.17 0.00 -0.53 0.00 0.00 54.58 52.89 1g90 n ASN 5 Cb 0.00 -0.76 -0.14 0.00 -2.08 0.00 0.00 39.78 36.81 1g90 n ASN 5 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1g90 s THR 6 N -2.49 -0.33 -0.11 5.53 2.01 0.19 -4.93 115.64 115.51 1g90 s THR 6 Ca 0.53 0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.66 1g90 s THR 6 Cb -0.05 -0.52 -0.02 0.00 0.01 0.00 0.00 72.50 71.93 1g90 s THR 6 CO 0.41 -0.03 -0.14 -1.66 -0.69 0.00 0.00 174.62 172.51 1g90 s TRP 7 N 2.34 2.77 0.12 4.92 -2.14 -1.26 -0.48 118.94 125.21 1g90 s TRP 7 Ca 0.04 -0.61 0.05 0.00 2.66 0.00 0.00 56.10 58.25 1g90 s TRP 7 Cb -0.14 -1.80 -0.04 0.00 -3.10 0.00 0.00 33.47 28.40 1g90 s TRP 7 CO -0.09 -0.17 -0.12 1.52 -2.66 0.00 0.00 176.95 175.42 1g90 s TYR 8 N 0.18 1.28 -0.02 1.66 1.13 0.30 -3.84 117.35 118.05 1g90 s TYR 8 Ca -0.08 -0.62 -0.04 0.00 -1.41 0.00 0.00 57.07 54.92 1g90 s TYR 8 Cb -0.15 -0.67 0.00 0.00 -1.10 0.00 0.00 41.96 40.04 1g90 s TYR 8 CO 0.05 0.10 0.09 0.99 -2.51 0.00 0.00 175.55 174.27 1g90 s THR 9 N -2.43 0.05 0.00 -3.49 2.01 -0.17 -0.62 115.64 110.98 1g90 s THR 9 Ca 0.09 -0.38 0.00 0.00 0.31 0.00 0.00 61.69 61.71 1g90 s THR 9 Cb -0.03 -0.26 0.00 0.00 0.01 0.00 0.00 72.50 72.22 1g90 s THR 9 CO 0.02 -0.21 0.00 0.61 -0.69 0.00 0.00 174.62 174.35 1g90 n GLY 10 N 2.27 1.03 3.17 4.40 0.00 0.81 -0.39 105.19 116.48 1g90 n GLY 10 Ca -0.18 -0.60 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 1g90 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g90 s ALA 11 N -1.00 1.05 0.14 4.61 0.00 -0.41 -0.54 121.76 125.62 1g90 s ALA 11 Ca 0.00 -1.28 -0.09 0.00 0.00 0.00 0.00 51.96 50.59 1g90 s ALA 11 Cb 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.21 1g90 s ALA 11 CO 0.00 -0.14 0.26 -1.59 0.00 0.00 0.00 175.76 174.29 1g90 s LYS 12 N -3.35 1.07 0.14 0.00 0.00 -0.08 -1.17 119.74 116.35 1g90 s LYS 12 Ca 0.09 -1.10 -0.02 0.00 0.00 0.00 0.00 55.97 54.93 1g90 s LYS 12 Cb 0.01 0.37 -0.03 0.00 0.00 0.00 0.00 37.83 38.18 1g90 s LYS 12 CO -0.02 -0.38 0.10 -0.51 0.00 0.00 0.00 175.35 174.54 1g90 s LEU 13 N -2.94 1.57 0.25 2.77 1.02 0.41 -0.64 118.68 121.13 1g90 s LEU 13 Ca 0.14 -1.17 -0.10 0.00 0.02 0.00 0.00 54.13 53.02 1g90 s LEU 13 Cb 0.04 0.46 -0.01 0.00 0.02 0.00 0.00 46.19 46.70 1g90 s LEU 13 CO -0.03 -0.77 0.42 -0.83 0.02 0.00 0.00 176.35 175.16 1g90 s GLY 14 N -3.04 0.81 -0.04 -3.19 0.00 -0.22 -0.65 107.32 100.98 1g90 s GLY 14 Ca 0.24 -1.10 -0.29 0.00 0.00 0.00 0.00 44.72 43.57 1g90 s GLY 14 CO 0.02 -0.81 0.63 -0.12 0.00 0.00 0.00 173.10 172.83 1g90 s PHE 15 N -3.92 -0.59 -0.07 1.90 5.36 -0.36 -0.52 117.98 119.78 1g90 s PHE 15 Ca 0.26 1.01 -0.16 0.00 -0.96 0.00 0.00 56.93 57.08 1g90 s PHE 15 Cb 0.01 0.37 0.03 0.00 -0.34 0.00 0.00 43.02 43.09 1g90 s PHE 15 CO 0.11 -0.58 0.39 0.45 -1.46 0.00 0.00 175.22 174.13 1g90 s SER 16 N -1.22 -0.34 0.18 6.13 0.15 0.02 -0.75 113.70 117.87 1g90 s SER 16 Ca -0.11 0.45 0.21 0.00 0.70 0.00 0.00 55.95 57.19 1g90 s SER 16 Cb -0.01 0.54 -0.02 0.00 -1.71 0.00 0.00 66.02 64.82 1g90 s SER 16 CO 0.09 -0.35 1.01 1.56 1.20 0.00 0.00 173.24 176.75 1g90 h GLN 17 N 4.40 0.00 0.00 5.44 4.20 -1.82 0.97 115.11 128.29 1g90 h GLN 17 Ca -0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.43 1g90 h GLN 17 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1g90 h GLN 17 CO 0.34 0.09 0.00 0.66 -0.67 0.00 0.00 178.83 179.25 1g90 n TYR 18 N -2.76 0.00 -3.83 2.96 4.01 -1.26 -4.58 117.16 111.70 1g90 n TYR 18 Ca -0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.62 1g90 n TYR 18 Cb 0.63 -1.44 0.02 0.00 -0.31 0.00 0.00 39.34 38.24 1g90 n TYR 18 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1g90 s HIS 19 N -0.70 0.24 0.05 -0.72 3.76 -1.26 -4.84 115.29 111.82 1g90 s HIS 19 Ca 0.00 -0.89 0.00 0.00 -0.15 0.00 0.00 55.06 54.02 1g90 s HIS 19 Cb 0.00 0.76 -0.03 0.00 1.11 0.00 0.00 32.58 34.42 1g90 s HIS 19 CO 0.00 -1.56 -0.05 0.34 -0.85 0.00 0.00 174.74 172.62 1g90 s ASP 20 N -3.10 0.66 0.21 1.40 2.15 -1.26 -4.74 116.67 112.00 1g90 s ASP 20 Ca 0.17 -0.82 0.00 0.00 0.43 0.00 0.00 52.55 52.33 1g90 s ASP 20 Cb -0.05 0.12 0.00 0.00 -0.30 0.00 0.00 42.92 42.70 1g90 s ASP 20 CO 0.13 -0.43 0.00 1.07 -0.17 0.00 0.00 175.17 175.76 1g90 n THR 21 N 0.62 0.00 -2.08 1.71 5.66 -1.26 -4.71 114.28 114.22 1g90 n THR 21 Ca -0.17 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.50 1g90 n THR 21 Cb 0.59 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.37 1g90 n THR 21 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1g90 s GLY 22 N -0.78 2.09 -0.34 1.09 0.00 -1.26 -4.25 107.32 103.86 1g90 s GLY 22 Ca 0.00 0.34 -0.01 0.00 0.00 0.00 0.00 44.72 45.05 1g90 s GLY 22 CO 0.00 0.65 0.18 -0.12 0.00 0.00 0.00 173.10 173.81 1g90 s PHE 23 N -2.51 0.98 0.00 1.90 5.36 -1.26 -4.69 117.98 117.75 1g90 s PHE 23 Ca 0.62 -1.59 0.00 0.00 -0.96 0.00 0.00 56.93 55.01 1g90 s PHE 23 Cb -0.15 -1.19 0.00 0.00 -0.34 0.00 0.00 43.02 41.34 1g90 s PHE 23 CO 0.37 -0.83 0.00 1.51 -1.46 0.00 0.00 175.22 174.81 1g90 n ILE 24 N 4.39 0.00 0.00 3.12 0.00 -1.26 -3.83 119.36 121.78 1g90 n ILE 24 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.80 1g90 n ILE 24 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 39.64 40.03 1g90 n ILE 24 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1g90 n ASN 25 N -1.77 0.00 -0.07 9.51 5.15 -1.26 -1.33 115.26 125.49 1g90 n ASN 25 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 1g90 n ASN 25 Cb 0.00 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.26 1g90 n ASN 25 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1g90 n ASN 26 N 6.53 0.48 0.00 1.20 6.94 -1.26 -5.07 115.26 124.08 1g90 n ASN 26 Ca 0.00 -1.40 0.00 0.00 -0.02 0.00 0.00 54.58 53.16 1g90 n ASN 26 Cb 0.00 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.38 1g90 n ASN 26 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1g90 n ASN 27 N -0.15 0.00 -2.17 0.53 5.15 -0.44 -5.04 115.26 113.13 1g90 n ASN 27 Ca 0.01 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 1g90 n ASN 27 Cb 0.48 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 1g90 n ASN 27 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1g90 n GLY 28 N -1.78 0.30 0.06 8.20 0.00 -1.25 -4.50 105.19 106.22 1g90 n GLY 28 Ca 0.00 -1.71 0.06 0.00 0.00 0.00 0.00 46.02 44.37 1g90 n GLY 28 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1g90 n PRO 29 N 0.00 0.06 0.00 1.61 -0.04 -1.26 -2.65 135.00 132.72 1g90 n PRO 29 Ca 0.00 0.48 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1g90 n PRO 29 Cb 0.00 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 1g90 n PRO 29 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1g90 n THR 30 N -1.81 0.00 0.21 0.52 -2.24 -1.26 -0.93 114.28 108.77 1g90 n THR 30 Ca 0.01 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1g90 n THR 30 Cb 0.07 -0.17 0.15 0.00 -2.10 0.00 0.00 70.33 68.29 1g90 n THR 30 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1g90 h HIS 31 N 0.45 0.00 -1.21 4.78 3.86 -1.85 -3.48 115.15 117.71 1g90 h HIS 31 Ca 0.00 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.58 1g90 h HIS 31 Cb 0.00 0.00 -0.13 0.00 1.06 0.00 0.00 27.41 28.34 1g90 h HIS 31 CO 0.00 0.02 -0.53 -1.21 0.86 0.00 0.00 177.93 177.07 1g90 s GLU 32 N -3.21 2.07 0.39 2.45 2.02 -0.11 -5.17 118.70 117.14 1g90 s GLU 32 Ca 0.06 -2.28 -0.15 0.00 0.02 0.00 0.00 54.97 52.63 1g90 s GLU 32 Cb 0.05 -1.31 0.06 0.00 0.10 0.00 0.00 34.13 33.03 1g90 s GLU 32 CO 0.68 -0.33 0.78 0.54 0.02 0.00 0.00 175.26 176.95 1g90 s ASN 33 N -3.77 0.08 0.01 -0.19 2.20 -1.26 -4.90 114.94 107.11 1g90 s ASN 33 Ca 0.16 -1.22 0.05 0.00 -0.94 0.00 0.00 52.86 50.91 1g90 s ASN 33 Cb 0.04 0.86 -0.02 0.00 -2.00 0.00 0.00 41.25 40.13 1g90 s ASN 33 CO 0.09 -1.71 -0.15 -1.58 -2.94 0.00 0.00 177.10 170.81 1g90 s GLN 34 N -2.19 1.10 0.28 3.55 0.74 0.33 -5.01 119.66 118.47 1g90 s GLN 34 Ca 0.17 -0.63 0.08 0.00 0.05 0.00 0.00 55.36 55.02 1g90 s GLN 34 Cb -0.05 -1.09 -0.06 0.00 1.10 0.00 0.00 33.01 32.91 1g90 s GLN 34 CO 0.12 0.29 -0.09 -0.48 -0.55 0.00 0.00 175.29 174.58 1g90 s LEU 35 N -0.68 2.55 0.15 3.68 -0.00 -1.26 -0.80 118.68 122.32 1g90 s LEU 35 Ca 0.04 -1.16 -0.00 0.00 -0.00 0.00 0.00 54.13 53.01 1g90 s LEU 35 Cb -0.07 -0.76 -0.04 0.00 -0.00 0.00 0.00 46.19 45.32 1g90 s LEU 35 CO 0.00 -0.26 0.04 -0.83 -0.00 0.00 0.00 176.35 175.31 1g90 s GLY 36 N -3.47 1.08 0.29 -3.48 0.00 0.33 -4.90 107.32 97.17 1g90 s GLY 36 Ca 0.29 -1.52 -0.03 0.00 0.00 0.00 0.00 44.72 43.46 1g90 s GLY 36 CO 0.13 -1.42 0.37 0.00 0.00 0.00 0.00 173.10 172.18 1g90 s ALA 37 N -3.92 0.76 0.00 3.20 0.00 -1.26 -1.05 121.76 119.48 1g90 s ALA 37 Ca 0.25 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.73 1g90 s ALA 37 Cb 0.07 1.23 0.00 0.00 0.00 0.00 0.00 23.12 24.42 1g90 s ALA 37 CO 0.03 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.45 1g90 n GLY 38 N -0.46 -0.36 3.94 0.00 0.00 0.18 -4.76 105.19 103.73 1g90 n GLY 38 Ca 0.01 -1.39 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 1g90 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g90 s ALA 39 N -1.00 3.71 0.07 4.61 0.00 -0.06 -0.91 121.76 128.19 1g90 s ALA 39 Ca 0.00 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 51.05 1g90 s ALA 39 Cb 0.00 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 1g90 s ALA 39 CO 0.00 -0.07 -0.07 0.12 0.00 0.00 0.00 175.76 175.74 1g90 s PHE 40 N -2.35 0.80 0.22 0.00 5.36 0.30 -0.72 117.98 121.60 1g90 s PHE 40 Ca 0.41 -0.71 -0.22 0.00 -0.96 0.00 0.00 56.93 55.45 1g90 s PHE 40 Cb -0.10 -0.47 0.05 0.00 -0.34 0.00 0.00 43.02 42.17 1g90 s PHE 40 CO 0.36 -0.11 0.89 0.20 -1.46 0.00 0.00 175.22 175.10 1g90 s GLY 41 N -2.34 -0.07 0.06 13.12 0.00 0.48 -0.14 107.32 118.45 1g90 s GLY 41 Ca 0.01 -0.17 -0.27 0.00 0.00 0.00 0.00 44.72 44.29 1g90 s GLY 41 CO -0.02 0.28 1.01 -0.32 0.00 0.00 0.00 173.10 174.05 1g90 s GLY 42 N -3.02 -0.33 -0.23 0.20 0.00 0.20 0.17 107.32 104.32 1g90 s GLY 42 Ca 0.14 0.54 -0.04 0.00 0.00 0.00 0.00 44.72 45.36 1g90 s GLY 42 CO 0.05 0.14 0.09 -0.19 0.00 0.00 0.00 173.10 173.19 1g90 s TYR 43 N -3.05 0.62 -0.13 1.90 1.51 -0.53 -0.53 117.35 117.14 1g90 s TYR 43 Ca 0.10 -0.77 -0.13 0.00 -1.01 0.00 0.00 57.07 55.26 1g90 s TYR 43 Cb -0.00 -0.95 -0.05 0.00 -0.11 0.00 0.00 41.96 40.85 1g90 s TYR 43 CO -0.02 -0.67 0.30 -0.65 -1.11 0.00 0.00 175.55 173.41 1g90 s GLN 44 N 2.00 4.11 0.43 -0.62 -0.21 0.37 -0.02 119.66 125.72 1g90 s GLN 44 Ca 0.04 0.14 0.19 0.00 0.02 0.00 0.00 55.36 55.75 1g90 s GLN 44 Cb -0.16 -3.37 0.97 0.00 1.00 0.00 0.00 33.01 31.45 1g90 s GLN 44 CO -0.18 0.37 1.90 -0.39 -2.12 0.00 0.00 175.29 174.87 1g90 h VAL 45 N 4.44 0.94 -2.34 1.09 -1.51 -1.46 0.56 116.25 117.98 1g90 h VAL 45 Ca -0.44 -1.02 -0.08 0.00 -1.23 0.00 0.00 66.70 63.92 1g90 h VAL 45 Cb 1.18 1.59 -0.21 0.00 -2.13 0.00 0.00 31.29 31.73 1g90 h VAL 45 CO 0.71 0.27 0.00 0.20 -1.23 0.00 0.00 177.57 177.52 1g90 s ASN 46 N -6.58 -0.55 -0.55 4.19 0.01 -1.19 -3.99 114.94 106.28 1g90 s ASN 46 Ca -0.02 0.82 -0.26 0.00 -0.71 0.00 0.00 52.86 52.69 1g90 s ASN 46 Cb 0.13 0.81 -0.05 0.00 0.41 0.00 0.00 41.25 42.55 1g90 s ASN 46 CO 0.67 -0.39 2.20 -2.16 -1.51 0.00 0.00 177.10 175.91 1g90 s PRO 47 N -0.51 2.29 0.00 -0.60 0.04 -1.26 -0.81 135.00 134.14 1g90 s PRO 47 Ca -0.06 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.05 1g90 s PRO 47 Cb -0.03 -4.52 0.00 0.00 0.04 0.00 0.00 34.50 29.99 1g90 s PRO 47 CO 0.05 -3.10 0.00 0.98 0.04 0.00 0.00 177.00 174.96 1g90 n TYR 48 N 14.78 0.00 -3.73 0.56 9.36 -1.26 -5.08 117.16 131.79 1g90 n TYR 48 Ca 0.31 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.39 1g90 n TYR 48 Cb 0.54 0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 39.17 1g90 n TYR 48 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1g90 s VAL 49 N 0.00 0.06 0.00 2.97 0.11 0.01 -0.71 120.40 122.83 1g90 s VAL 49 Ca 0.00 -0.47 0.00 0.00 -2.93 0.00 0.00 61.98 58.58 1g90 s VAL 49 Cb 0.00 -0.73 0.00 0.00 -1.53 0.00 0.00 36.38 34.12 1g90 s VAL 49 CO 0.00 -0.26 0.00 0.61 -3.33 0.00 0.00 175.10 172.12 1g90 n GLY 50 N 1.05 0.16 3.16 6.54 0.00 0.11 -1.23 105.19 114.98 1g90 n GLY 50 Ca -0.21 -0.26 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 1g90 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1g90 s PHE 51 N 0.00 0.83 0.02 1.61 0.08 0.98 -0.36 117.98 121.13 1g90 s PHE 51 Ca 0.00 -0.93 -0.07 0.00 0.12 0.00 0.00 56.93 56.05 1g90 s PHE 51 Cb 0.00 -0.49 -0.00 0.00 -0.57 0.00 0.00 43.02 41.95 1g90 s PHE 51 CO 0.00 -0.18 0.14 -2.00 -0.10 0.00 0.00 175.22 173.08 1g90 s GLU 52 N -3.78 0.54 0.26 0.44 2.12 0.16 -1.45 118.70 116.99 1g90 s GLU 52 Ca 0.11 -0.52 -0.13 0.00 0.36 0.00 0.00 54.97 54.79 1g90 s GLU 52 Cb 0.05 0.22 0.00 0.00 0.26 0.00 0.00 34.13 34.66 1g90 s GLU 52 CO -0.05 -0.14 0.51 -1.64 -0.54 0.00 0.00 175.26 173.40 1g90 s MET 53 N -1.86 1.62 0.14 4.30 -1.94 0.13 -0.54 119.30 121.15 1g90 s MET 53 Ca -0.11 -1.27 -0.23 0.00 -1.71 0.00 0.00 55.69 52.37 1g90 s MET 53 Cb -0.05 0.49 0.08 0.00 2.01 0.00 0.00 34.83 37.36 1g90 s MET 53 CO -0.01 -0.69 1.10 0.20 -0.01 0.00 0.00 175.02 175.61 1g90 s GLY 54 N -3.03 0.09 0.02 -0.03 0.00 0.40 -0.38 107.32 104.39 1g90 s GLY 54 Ca 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 44.72 44.63 1g90 s GLY 54 CO 0.10 3.49 -0.03 -0.47 0.00 0.00 0.00 173.10 176.19 1g90 s TYR 55 N -2.05 0.25 -0.20 1.90 6.14 0.10 -0.58 117.35 122.92 1g90 s TYR 55 Ca 0.25 -0.35 -0.00 0.00 0.64 0.00 0.00 57.07 57.60 1g90 s TYR 55 Cb -0.02 -0.17 0.05 0.00 0.42 0.00 0.00 41.96 42.23 1g90 s TYR 55 CO 0.04 -0.11 -0.05 -0.51 0.64 0.00 0.00 175.55 175.56 1g90 s ASP 56 N -0.99 3.31 0.39 4.32 1.11 0.17 -0.88 116.67 124.10 1g90 s ASP 56 Ca -0.10 -0.91 -0.13 0.00 0.18 0.00 0.00 52.55 51.59 1g90 s ASP 56 Cb -0.07 -1.02 0.05 0.00 1.07 0.00 0.00 42.92 42.95 1g90 s ASP 56 CO -0.00 -0.21 0.75 0.12 1.18 0.00 0.00 175.17 177.00 1g90 s PHE 57 N 1.53 0.30 0.00 4.23 5.36 -1.26 -0.27 117.98 127.87 1g90 s PHE 57 Ca -0.02 -0.92 -0.02 0.00 -0.96 0.00 0.00 56.93 55.01 1g90 s PHE 57 Cb -0.17 0.70 -0.11 0.00 -0.34 0.00 0.00 43.02 43.10 1g90 s PHE 57 CO -0.07 -1.53 2.08 1.28 -1.46 0.00 0.00 175.22 175.51 1g90 n LEU 58 N -0.54 3.48 0.00 6.12 4.77 -1.26 -4.88 117.00 124.69 1g90 n LEU 58 Ca -0.07 -2.00 0.00 0.00 -0.03 0.00 0.00 56.01 53.91 1g90 n LEU 58 Cb 0.60 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 1g90 n LEU 58 CO 0.28 0.84 0.00 0.61 -1.33 0.00 0.00 177.39 177.79 1g90 n GLY 59 N 2.28 2.30 3.54 -0.72 0.00 -1.26 -2.62 105.19 108.71 1g90 n GLY 59 Ca 0.17 -0.35 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1g90 n GLY 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1g90 n ARG 60 N 13.32 2.11 -1.63 1.61 0.00 -1.26 -4.96 116.66 125.85 1g90 n ARG 60 Ca 0.00 -2.70 -0.58 0.00 -0.00 0.00 0.00 57.85 54.58 1g90 n ARG 60 Cb 0.00 -3.62 -0.07 0.00 0.00 0.00 0.00 32.46 28.77 1g90 n ARG 60 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.63 177.51 1g90 n MET 61 N 8.22 0.72 0.27 -0.14 0.00 -1.08 -4.87 117.12 120.24 1g90 n MET 61 Ca 0.46 0.26 0.13 0.00 -0.00 0.00 0.00 57.70 58.56 1g90 n MET 61 Cb 0.46 -1.86 0.74 0.00 0.00 0.00 0.00 33.22 32.55 1g90 n MET 61 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 1g90 h PRO 62 N 5.09 0.00 0.00 2.12 0.13 -1.91 -3.46 132.00 133.97 1g90 h PRO 62 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1g90 h PRO 62 Cb 1.36 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.49 1g90 h PRO 62 CO 0.84 0.11 0.00 0.98 -0.23 0.00 0.00 178.00 179.70 1g90 n TYR 63 N -3.64 0.00 0.00 1.56 9.36 -1.26 -4.93 117.16 118.26 1g90 n TYR 63 Ca -0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.20 1g90 n TYR 63 Cb 0.23 -0.87 0.00 0.00 -0.63 0.00 0.00 39.34 38.07 1g90 n TYR 63 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1g90 n LYS 64 N -1.29 0.00 -1.70 2.98 5.02 -1.26 -4.20 118.16 117.72 1g90 n LYS 64 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 1g90 n LYS 64 Cb 0.20 -0.02 -0.03 0.00 -0.02 0.00 0.00 35.03 35.16 1g90 n LYS 64 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1g90 s GLY 65 N -0.53 0.01 -1.21 0.72 0.00 -1.26 -0.77 107.32 104.27 1g90 s GLY 65 Ca 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 44.72 44.80 1g90 s GLY 65 CO 0.00 3.86 0.17 1.44 0.00 0.00 0.00 173.10 178.57 1g90 n SER 66 N 13.86 -4.23 -1.48 1.64 7.64 -1.26 -0.40 113.62 129.38 1g90 n SER 66 Ca 0.31 -0.00 -0.19 0.00 1.01 0.00 0.00 58.87 60.00 1g90 n SER 66 Cb 0.51 -3.55 -0.08 0.00 -1.01 0.00 0.00 64.21 60.08 1g90 n SER 66 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 1g90 n VAL 67 N -3.67 0.00 -3.52 0.44 0.31 0.05 -4.03 118.33 107.91 1g90 n VAL 67 Ca -0.12 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 63.95 1g90 n VAL 67 Cb 0.60 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.64 1g90 n VAL 67 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1g90 n GLU 68 N -2.36 -3.78 -4.17 5.55 1.02 0.46 -4.33 120.64 113.03 1g90 n GLU 68 Ca -0.19 0.51 -0.16 0.00 -0.02 0.00 0.00 57.16 57.30 1g90 n GLU 68 Cb 0.65 -5.26 -0.06 0.00 -0.02 0.00 0.00 31.44 26.74 1g90 n GLU 68 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1g90 s ASN 69 N -2.87 1.03 0.00 1.62 2.20 -1.26 -4.87 114.94 110.80 1g90 s ASN 69 Ca 0.47 -1.54 0.00 0.00 -0.94 0.00 0.00 52.86 50.85 1g90 s ASN 69 Cb -0.25 0.58 0.00 0.00 -2.00 0.00 0.00 41.25 39.59 1g90 s ASN 69 CO 0.58 -1.14 0.00 0.61 -2.94 0.00 0.00 177.10 174.21 1g90 n GLY 70 N -0.54 -1.29 0.19 0.45 0.00 -1.26 -4.96 105.19 97.78 1g90 n GLY 70 Ca 0.03 0.71 0.03 0.00 0.00 0.00 0.00 46.02 46.79 1g90 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g90 h ALA 71 N 2.00 1.39 -2.27 4.61 0.00 -2.01 -3.39 119.26 119.59 1g90 h ALA 71 Ca 0.00 -0.32 -0.54 0.00 0.00 0.00 0.00 54.91 54.04 1g90 h ALA 71 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1g90 h ALA 71 CO 0.00 0.45 1.20 -0.47 0.00 0.00 0.00 179.25 180.42 1g90 s TYR 72 N -4.19 1.57 -0.45 0.00 6.14 -1.26 -4.93 117.35 114.23 1g90 s TYR 72 Ca -0.03 -0.08 0.05 0.00 0.64 0.00 0.00 57.07 57.65 1g90 s TYR 72 Cb 0.14 -4.09 0.18 0.00 0.42 0.00 0.00 41.96 38.61 1g90 s TYR 72 CO 0.72 -4.66 0.48 0.21 0.64 0.00 0.00 175.55 172.94 1g90 s LYS 73 N 4.49 0.95 0.06 4.97 2.47 -1.26 -4.94 119.74 126.48 1g90 s LYS 73 Ca 0.83 -1.68 -0.14 0.00 -1.56 0.00 0.00 55.97 53.42 1g90 s LYS 73 Cb -0.37 -0.90 0.02 0.00 -1.46 0.00 0.00 37.83 35.12 1g90 s LYS 73 CO 0.36 -1.36 0.32 0.00 0.16 0.00 0.00 175.35 174.83 1g90 s ALA 74 N 0.41 -0.72 0.32 3.13 0.00 -1.26 -1.05 121.76 122.60 1g90 s ALA 74 Ca 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.24 1g90 s ALA 74 Cb 0.02 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.54 1g90 s ALA 74 CO -0.14 -0.47 0.41 1.04 0.00 0.00 0.00 175.76 176.61 1g90 n GLN 75 N 0.36 0.60 -3.88 0.00 6.02 0.30 -4.87 117.38 115.90 1g90 n GLN 75 Ca -0.18 -2.72 -0.07 0.00 -0.01 0.00 0.00 57.00 54.02 1g90 n GLN 75 Cb 0.61 2.52 -0.02 0.00 1.02 0.00 0.00 30.24 34.36 1g90 n GLN 75 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1g90 s GLY 76 N -3.05 0.03 -0.02 1.08 0.00 0.63 -0.39 107.32 105.60 1g90 s GLY 76 Ca 0.29 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.60 1g90 s GLY 76 CO 0.21 -0.19 0.01 0.14 0.00 0.00 0.00 173.10 173.27 1g90 s VAL 77 N -3.91 0.07 -0.13 1.40 1.01 0.09 -0.65 120.40 118.28 1g90 s VAL 77 Ca 0.13 0.11 -0.14 0.00 0.00 0.00 0.00 61.98 62.08 1g90 s VAL 77 Cb -0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 1g90 s VAL 77 CO 0.07 0.10 0.32 -1.58 0.00 0.00 0.00 175.10 174.02 1g90 s GLN 78 N 0.84 4.16 -0.09 2.72 0.74 0.25 -0.00 119.66 128.29 1g90 s GLN 78 Ca -0.08 0.17 -0.05 0.00 0.05 0.00 0.00 55.36 55.46 1g90 s GLN 78 Cb -0.11 -3.38 0.04 0.00 1.10 0.00 0.00 33.01 30.66 1g90 s GLN 78 CO -0.02 0.33 0.20 -0.48 -0.55 0.00 0.00 175.29 174.77 1g90 s LEU 79 N 0.16 0.72 -0.16 3.68 -0.00 -0.39 -0.45 118.68 122.23 1g90 s LEU 79 Ca 0.19 0.42 -0.20 0.00 -0.00 0.00 0.00 54.13 54.54 1g90 s LEU 79 Cb -0.14 0.61 0.05 0.00 -0.00 0.00 0.00 46.19 46.71 1g90 s LEU 79 CO 0.06 -0.14 0.54 0.28 -0.00 0.00 0.00 176.35 177.09 1g90 s THR 80 N 0.94 0.01 0.27 5.48 -1.32 0.30 -1.36 115.64 119.96 1g90 s THR 80 Ca -0.07 -0.06 -0.17 0.00 -1.21 0.00 0.00 61.69 60.18 1g90 s THR 80 Cb -0.08 -0.78 -0.09 0.00 -1.51 0.00 0.00 72.50 70.04 1g90 s THR 80 CO -0.06 -0.03 0.73 0.00 -2.21 0.00 0.00 174.62 173.06 1g90 s ALA 81 N -0.14 3.36 -0.06 11.08 0.00 0.56 -0.66 121.76 135.91 1g90 s ALA 81 Ca -0.03 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.00 1g90 s ALA 81 Cb -0.03 -2.80 0.03 0.00 0.00 0.00 0.00 23.12 20.31 1g90 s ALA 81 CO 0.03 0.33 0.14 0.21 0.00 0.00 0.00 175.76 176.46 1g90 s LYS 82 N -2.46 0.12 -0.08 0.00 2.20 0.51 -1.06 119.74 118.97 1g90 s LYS 82 Ca 0.48 0.27 -0.03 0.00 -0.36 0.00 0.00 55.97 56.33 1g90 s LYS 82 Cb -0.14 -0.05 0.04 0.00 -1.51 0.00 0.00 37.83 36.18 1g90 s LYS 82 CO 0.19 -0.09 0.17 -1.17 -0.36 0.00 0.00 175.35 174.09 1g90 s LEU 83 N 0.60 0.60 0.33 5.43 2.96 -0.20 -0.71 118.68 127.69 1g90 s LEU 83 Ca -0.04 0.36 0.07 0.00 -0.22 0.00 0.00 54.13 54.30 1g90 s LEU 83 Cb -0.06 0.45 -0.03 0.00 0.50 0.00 0.00 46.19 47.05 1g90 s LEU 83 CO -0.03 -0.16 0.27 -0.83 -1.32 0.00 0.00 176.35 174.29 1g90 s GLY 84 N 1.26 2.34 -0.05 7.98 0.00 0.11 -0.40 107.32 118.56 1g90 s GLY 84 Ca -0.09 -2.05 -0.04 0.00 0.00 0.00 0.00 44.72 42.54 1g90 s GLY 84 CO -0.07 -1.48 0.13 -0.19 0.00 0.00 0.00 173.10 171.49 1g90 s TYR 85 N -3.45 -0.14 -0.08 1.90 2.02 -0.30 -4.82 117.35 112.48 1g90 s TYR 85 Ca 0.40 0.35 -0.29 0.00 -0.37 0.00 0.00 57.07 57.16 1g90 s TYR 85 Cb 0.02 0.03 -0.06 0.00 -0.40 0.00 0.00 41.96 41.55 1g90 s TYR 85 CO 0.27 -0.08 1.88 -1.25 -1.57 0.00 0.00 175.55 174.81 1g90 s PRO 86 N 0.23 3.88 0.01 -1.71 0.04 -1.26 -0.50 135.00 135.69 1g90 s PRO 86 Ca -0.01 2.23 0.25 0.00 0.04 0.00 0.00 61.00 63.50 1g90 s PRO 86 Cb -0.02 -4.14 0.42 0.00 0.04 0.00 0.00 34.50 30.79 1g90 s PRO 86 CO -0.01 -1.22 1.35 1.51 0.04 0.00 0.00 177.00 178.67 1g90 n ILE 87 N 6.13 0.03 0.00 0.56 3.06 -0.23 -4.83 119.36 124.09 1g90 n ILE 87 Ca 0.21 -0.03 0.00 0.00 -2.50 0.00 0.00 62.75 60.43 1g90 n ILE 87 Cb 0.43 0.28 0.00 0.00 0.54 0.00 0.00 39.64 40.89 1g90 n ILE 87 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 1g90 n THR 88 N -1.56 0.00 0.21 9.51 -1.04 -1.14 -5.02 114.28 115.24 1g90 n THR 88 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1g90 n THR 88 Cb 0.35 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 1g90 n THR 88 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1g90 n ASP 89 N -1.18 -2.82 0.00 8.00 2.03 -1.26 -4.91 116.55 116.41 1g90 n ASP 89 Ca 0.00 0.77 0.12 0.00 0.52 0.00 0.00 54.79 56.21 1g90 n ASP 89 Cb 0.00 2.70 0.74 0.00 -0.72 0.00 0.00 41.12 43.84 1g90 n ASP 89 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1g90 n ASP 90 N -3.48 0.00 -4.00 1.67 5.75 -1.26 -4.71 116.55 110.51 1g90 n ASP 90 Ca 0.00 -1.05 -0.12 0.00 -0.01 0.00 0.00 54.79 53.61 1g90 n ASP 90 Cb 0.00 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 39.97 1g90 n ASP 90 CO 0.00 0.00 0.00 -1.48 -0.11 0.00 0.00 177.20 175.61 1g90 s LEU 91 N -1.85 2.19 -0.02 -2.12 0.05 -1.26 -0.38 118.68 115.28 1g90 s LEU 91 Ca 0.37 -0.41 0.03 0.00 0.05 0.00 0.00 54.13 54.17 1g90 s LEU 91 Cb 0.17 -0.10 0.00 0.00 -2.05 0.00 0.00 46.19 44.22 1g90 s LEU 91 CO 0.29 -0.17 -0.09 -0.62 -0.55 0.00 0.00 176.35 175.21 1g90 s ASP 92 N -1.16 1.18 -0.43 1.48 -1.08 -0.08 -1.07 116.67 115.52 1g90 s ASP 92 Ca -0.09 -0.18 -0.21 0.00 -0.52 0.00 0.00 52.55 51.55 1g90 s ASP 92 Cb -0.08 -0.29 0.02 0.00 -1.46 0.00 0.00 42.92 41.12 1g90 s ASP 92 CO -0.00 0.07 0.67 -0.51 0.52 0.00 0.00 175.17 175.93 1g90 s ILE 93 N 0.12 4.79 -0.24 4.11 -1.16 0.34 -0.53 121.20 128.64 1g90 s ILE 93 Ca -0.02 0.24 -0.04 0.00 -0.51 0.00 0.00 60.65 60.32 1g90 s ILE 93 Cb -0.08 -4.22 -0.00 0.00 0.61 0.00 0.00 42.46 38.77 1g90 s ILE 93 CO 0.00 -0.59 -0.02 -0.31 -2.81 0.00 0.00 174.94 171.21 1g90 s TYR 94 N 2.91 3.01 0.20 3.50 2.02 0.55 -1.15 117.35 128.40 1g90 s TYR 94 Ca 0.24 -1.01 -0.01 0.00 -0.37 0.00 0.00 57.07 55.93 1g90 s TYR 94 Cb -0.14 -2.13 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 1g90 s TYR 94 CO 0.19 -0.57 0.39 0.99 -1.57 0.00 0.00 175.55 174.98 1g90 s THR 95 N 1.47 5.21 0.18 -0.71 2.01 0.47 -1.10 115.64 123.17 1g90 s THR 95 Ca 0.04 -0.38 -0.14 0.00 0.31 0.00 0.00 61.69 61.53 1g90 s THR 95 Cb -0.15 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.64 1g90 s THR 95 CO -0.02 -0.17 0.42 0.00 -0.69 0.00 0.00 174.62 174.15 1g90 s ARG 96 N -3.32 1.28 0.03 4.92 1.70 0.33 -1.03 118.95 122.87 1g90 s ARG 96 Ca 0.38 -1.01 0.01 0.00 -0.47 0.00 0.00 55.73 54.64 1g90 s ARG 96 Cb -0.11 0.46 -0.02 0.00 -0.57 0.00 0.00 34.95 34.70 1g90 s ARG 96 CO 0.29 -0.51 -0.05 -1.17 -1.08 0.00 0.00 175.30 172.78 1g90 s LEU 97 N -2.92 2.27 0.00 -1.89 0.20 -0.22 -1.48 118.68 114.65 1g90 s LEU 97 Ca 0.13 -0.57 0.00 0.00 0.69 0.00 0.00 54.13 54.38 1g90 s LEU 97 Cb 0.01 0.02 0.00 0.00 -0.43 0.00 0.00 46.19 45.78 1g90 s LEU 97 CO -0.01 -0.30 0.00 0.61 -0.29 0.00 0.00 176.35 176.36 1g90 n GLY 98 N 1.38 0.17 0.00 7.98 0.00 0.01 -0.32 105.19 114.41 1g90 n GLY 98 Ca -0.22 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 44.78 1g90 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g90 n GLY 99 N 0.00 -0.68 3.38 -0.02 0.00 -0.46 -0.55 105.19 106.85 1g90 n GLY 99 Ca 0.00 -1.05 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 1g90 n GLY 99 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1g90 s MET 100 N -2.00 2.84 -0.19 1.61 0.23 -1.26 -1.27 119.30 119.25 1g90 s MET 100 Ca 0.00 -1.18 -0.24 0.00 -1.03 0.00 0.00 55.69 53.24 1g90 s MET 100 Cb 0.00 -3.86 -0.02 0.00 -1.53 0.00 0.00 34.83 29.43 1g90 s MET 100 CO 0.00 -0.81 0.77 0.08 -2.03 0.00 0.00 175.02 173.03 1g90 s VAL 101 N 1.57 4.91 0.28 5.16 1.01 1.00 -4.65 120.40 129.68 1g90 s VAL 101 Ca 0.03 1.48 -0.11 0.00 0.00 0.00 0.00 61.98 63.38 1g90 s VAL 101 Cb -0.21 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.03 1g90 s VAL 101 CO 0.07 0.03 0.63 0.12 0.00 0.00 0.00 175.10 175.95 1g90 s PHE 102 N 2.23 3.41 -0.20 5.22 5.36 -0.22 -0.74 117.98 133.05 1g90 s PHE 102 Ca 0.34 0.99 -0.04 0.00 -0.96 0.00 0.00 56.93 57.26 1g90 s PHE 102 Cb -0.16 -2.36 0.08 0.00 -0.34 0.00 0.00 43.02 40.24 1g90 s PHE 102 CO 0.11 0.17 0.18 0.50 -1.46 0.00 0.00 175.22 174.71 1g90 s ARG 103 N -3.01 0.15 0.69 10.12 3.00 0.48 -1.28 118.95 129.11 1g90 s ARG 103 Ca 0.50 0.08 -0.06 0.00 -1.00 0.00 0.00 55.73 55.25 1g90 s ARG 103 Cb -0.11 -1.41 0.07 0.00 0.00 0.00 0.00 34.95 33.50 1g90 s ARG 103 CO 0.21 -0.68 0.99 0.00 0.00 0.00 0.00 175.30 175.83 1g90 s ALA 104 N 2.26 3.25 0.68 6.12 0.00 -0.91 -0.54 121.76 132.61 1g90 s ALA 104 Ca 0.05 -1.02 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 1g90 s ALA 104 Cb -0.16 -2.51 0.03 0.00 0.00 0.00 0.00 23.12 20.47 1g90 s ALA 104 CO -0.12 -1.28 1.03 0.34 0.00 0.00 0.00 175.76 175.73 1g90 s ASP 105 N -4.53 5.31 0.80 0.00 -1.08 -0.22 -4.66 116.67 112.30 1g90 s ASP 105 Ca 0.61 0.87 -0.11 0.00 -0.52 0.00 0.00 52.55 53.39 1g90 s ASP 105 Cb -0.10 -1.68 0.07 0.00 -1.46 0.00 0.00 42.92 39.75 1g90 s ASP 105 CO 0.44 -1.34 1.09 0.28 0.52 0.00 0.00 175.17 176.16 1g90 s THR 106 N -3.25 3.11 0.00 1.71 -1.32 -1.26 -4.06 115.64 110.56 1g90 s THR 106 Ca 0.57 0.36 0.00 0.00 -1.21 0.00 0.00 61.69 61.41 1g90 s THR 106 Cb -0.11 -3.06 0.00 0.00 -1.51 0.00 0.00 72.50 67.83 1g90 s THR 106 CO 0.48 -0.47 0.00 1.17 -2.21 0.00 0.00 174.62 173.59 1g90 n LYS 107 N -3.47 0.00 0.00 7.08 4.81 -0.71 -4.83 118.16 121.04 1g90 n LYS 107 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1g90 n LYS 107 Cb 0.56 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.61 1g90 n LYS 107 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1g90 n SER 108 N 0.67 0.00 -4.02 3.14 2.88 -1.26 -0.77 113.62 114.26 1g90 n SER 108 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1g90 n SER 108 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1g90 n SER 108 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 1g90 s ASN 109 N -4.00 0.01 0.06 -3.46 2.47 -1.26 -4.97 114.94 103.78 1g90 s ASN 109 Ca 0.00 -0.99 0.00 0.00 0.42 0.00 0.00 52.86 52.29 1g90 s ASN 109 Cb 0.00 0.49 0.00 0.00 -1.45 0.00 0.00 41.25 40.29 1g90 s ASN 109 CO 0.00 -0.98 0.00 0.55 -3.72 0.00 0.00 177.10 172.95 1g90 n VAL 110 N -0.29 0.00 -0.75 -5.21 3.14 -1.26 -0.42 118.33 113.53 1g90 n VAL 110 Ca -0.03 0.00 0.07 0.00 -2.96 0.00 0.00 64.34 61.42 1g90 n VAL 110 Cb 0.63 0.00 0.13 0.00 -1.06 0.00 0.00 33.84 33.55 1g90 n VAL 110 CO 0.00 0.00 0.00 -1.22 -6.46 0.00 0.00 176.83 169.15 1g90 n TYR 111 N 0.00 0.22 0.30 1.45 4.01 -1.26 -4.91 117.16 116.97 1g90 n TYR 111 Ca 0.00 -0.83 0.18 0.00 -0.16 0.00 0.00 57.90 57.09 1g90 n TYR 111 Cb 0.00 -0.15 0.86 0.00 -0.31 0.00 0.00 39.34 39.74 1g90 n TYR 111 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1g90 h GLY 112 N 0.51 0.00 -4.37 2.72 0.00 0.26 -3.41 103.07 98.78 1g90 h GLY 112 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1g90 h GLY 112 CO 0.04 0.00 -0.65 0.54 0.00 0.00 0.00 176.54 176.48 1g90 s LYS 113 N -3.79 0.45 -0.09 4.80 1.02 0.05 -4.85 119.74 117.32 1g90 s LYS 113 Ca -0.02 -0.77 -0.04 0.00 0.02 0.00 0.00 55.97 55.17 1g90 s LYS 113 Cb 0.10 0.16 -0.03 0.00 -0.52 0.00 0.00 37.83 37.54 1g90 s LYS 113 CO 0.40 -0.09 0.15 -0.97 -0.92 0.00 0.00 175.35 173.92 1g90 h ASN 114 N 4.08 -0.07 0.00 2.83 -0.73 -1.85 -1.88 115.58 117.95 1g90 h ASN 114 Ca -0.32 -0.06 0.00 0.00 1.87 0.00 0.00 56.30 57.79 1g90 h ASN 114 Cb 1.19 0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.80 1g90 h ASN 114 CO 0.49 0.44 0.00 1.57 -0.37 0.00 0.00 177.43 179.56 1g90 n HIS 115 N -4.83 0.00 -3.20 0.67 -0.00 -1.26 -3.81 115.22 102.80 1g90 n HIS 115 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 57.72 57.64 1g90 n HIS 115 Cb 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.05 1g90 n HIS 115 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1g90 n ASP 116 N 0.00 -7.21 -3.99 0.26 9.92 -1.26 -3.29 116.55 110.97 1g90 n ASP 116 Ca 0.00 -0.21 -0.09 0.00 -0.53 0.00 0.00 54.79 53.97 1g90 n ASP 116 Cb 0.00 -4.56 -0.10 0.00 -0.64 0.00 0.00 41.12 35.82 1g90 n ASP 116 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 1g90 s THR 117 N -2.95 0.14 -2.68 -3.53 -1.32 -1.26 -2.13 115.64 101.91 1g90 s THR 117 Ca 0.02 -1.16 0.00 0.00 -1.21 0.00 0.00 61.69 59.35 1g90 s THR 117 Cb -0.01 -0.71 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 1g90 s THR 117 CO 0.78 -0.64 0.00 0.61 -2.21 0.00 0.00 174.62 173.16 1g90 n GLY 118 N 1.06 0.77 3.59 6.08 0.00 -0.40 -4.97 105.19 111.31 1g90 n GLY 118 Ca -0.20 -2.11 -0.10 0.00 0.00 0.00 0.00 46.02 43.61 1g90 n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g90 s VAL 119 N -1.04 0.00 0.09 1.61 0.11 -1.26 -1.05 120.40 118.85 1g90 s VAL 119 Ca 0.00 -0.35 -0.31 0.00 -2.93 0.00 0.00 61.98 58.39 1g90 s VAL 119 Cb 0.00 -1.37 -0.08 0.00 -1.53 0.00 0.00 36.38 33.40 1g90 s VAL 119 CO 0.00 0.00 1.44 -0.44 -3.33 0.00 0.00 175.10 172.77 1g90 s SER 120 N -2.79 6.78 0.53 3.54 0.01 -1.26 -5.02 113.70 115.48 1g90 s SER 120 Ca 0.05 2.33 -0.21 0.00 1.31 0.00 0.00 55.95 59.43 1g90 s SER 120 Cb -0.03 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.57 1g90 s SER 120 CO -0.05 -0.72 1.20 -2.16 0.41 0.00 0.00 173.24 171.92 1g90 s PRO 121 N 1.58 3.36 0.23 12.44 0.04 -1.26 -4.88 135.00 146.51 1g90 s PRO 121 Ca 0.66 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.53 1g90 s PRO 121 Cb -0.37 -2.17 -0.05 0.00 0.04 0.00 0.00 34.50 31.96 1g90 s PRO 121 CO 0.30 -0.90 0.11 0.14 0.04 0.00 0.00 177.00 176.69 1g90 s VAL 122 N -1.57 0.33 0.06 -0.36 -7.23 0.28 -5.00 120.40 106.91 1g90 s VAL 122 Ca 0.71 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.90 1g90 s VAL 122 Cb -0.30 -2.56 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 1g90 s VAL 122 CO 0.35 -0.02 -0.07 0.72 -0.31 0.00 0.00 175.10 175.77 1g90 s PHE 123 N -3.92 0.75 0.27 2.82 -0.12 -1.26 -0.81 117.98 115.70 1g90 s PHE 123 Ca 0.38 -0.67 -0.13 0.00 -0.05 0.00 0.00 56.93 56.46 1g90 s PHE 123 Cb 0.07 -0.44 0.00 0.00 -0.63 0.00 0.00 43.02 42.02 1g90 s PHE 123 CO 0.13 -0.12 0.53 0.00 -0.05 0.00 0.00 175.22 175.71 1g90 s ALA 124 N -2.28 -0.29 0.14 1.99 0.00 -0.55 -4.68 121.76 116.10 1g90 s ALA 124 Ca -0.01 -0.87 -0.15 0.00 0.00 0.00 0.00 51.96 50.93 1g90 s ALA 124 Cb -0.04 1.03 0.02 0.00 0.00 0.00 0.00 23.12 24.13 1g90 s ALA 124 CO -0.02 -0.88 0.39 0.20 0.00 0.00 0.00 175.76 175.46 1g90 s GLY 125 N -3.03 -0.08 0.00 0.00 0.00 -0.26 -0.51 107.32 103.44 1g90 s GLY 125 Ca 0.21 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.67 1g90 s GLY 125 CO 0.10 -0.42 0.00 0.61 0.00 0.00 0.00 173.10 173.39 1g90 n GLY 126 N -0.24 -0.81 3.21 0.20 0.00 -0.26 -0.22 105.19 107.08 1g90 n GLY 126 Ca -0.13 -0.17 -0.14 0.00 0.00 0.00 0.00 46.02 45.58 1g90 n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g90 s VAL 127 N -4.00 1.03 -0.04 1.61 1.01 -0.11 -0.33 120.40 119.58 1g90 s VAL 127 Ca 0.00 -1.90 0.06 0.00 0.00 0.00 0.00 61.98 60.14 1g90 s VAL 127 Cb 0.00 -1.66 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 1g90 s VAL 127 CO 0.00 -0.69 -0.21 -0.70 0.00 0.00 0.00 175.10 173.49 1g90 s GLU 128 N -3.41 2.00 -0.23 2.72 2.12 0.31 -1.05 118.70 121.16 1g90 s GLU 128 Ca 0.12 -0.77 0.02 0.00 0.36 0.00 0.00 54.97 54.71 1g90 s GLU 128 Cb 0.01 -1.80 0.05 0.00 0.26 0.00 0.00 34.13 32.65 1g90 s GLU 128 CO -0.00 0.38 -0.14 -0.47 -0.54 0.00 0.00 175.26 174.48 1g90 s TYR 129 N -0.25 3.07 -0.46 5.30 5.04 0.68 -0.91 117.35 129.83 1g90 s TYR 129 Ca 0.01 -2.07 0.04 0.00 -2.44 0.00 0.00 57.07 52.61 1g90 s TYR 129 Cb -0.11 -1.92 0.16 0.00 0.35 0.00 0.00 41.96 40.45 1g90 s TYR 129 CO 0.01 -0.85 0.35 0.00 -1.34 0.00 0.00 175.55 173.72 1g90 s ALA 130 N 1.18 1.80 0.12 3.97 0.00 0.49 -0.73 121.76 128.58 1g90 s ALA 130 Ca -0.04 -2.64 -0.13 0.00 0.00 0.00 0.00 51.96 49.15 1g90 s ALA 130 Cb -0.17 -1.71 -0.08 0.00 0.00 0.00 0.00 23.12 21.16 1g90 s ALA 130 CO -0.08 -2.01 1.42 0.97 0.00 0.00 0.00 175.76 176.06 1g90 h ILE 131 N 4.66 1.29 -3.43 0.00 6.09 -1.81 -3.37 117.51 120.93 1g90 h ILE 131 Ca 0.21 -1.60 -0.59 0.00 -1.37 0.00 0.00 64.86 61.51 1g90 h ILE 131 Cb 0.89 1.58 -0.09 0.00 0.47 0.00 0.00 36.82 39.68 1g90 h ILE 131 CO 0.43 0.52 0.62 0.42 -3.07 0.00 0.00 178.15 177.07 1g90 s THR 132 N -4.25 4.61 0.62 2.19 -4.23 -1.26 -4.94 115.64 108.38 1g90 s THR 132 Ca -0.11 1.34 0.35 0.00 -1.18 0.00 0.00 61.69 62.08 1g90 s THR 132 Cb 0.10 -4.31 0.38 0.00 1.34 0.00 0.00 72.50 70.01 1g90 s THR 132 CO 0.86 -0.45 2.25 1.55 -0.54 0.00 0.00 174.62 178.29 1g90 h PRO 133 N 8.29 0.00 -0.50 3.99 0.13 -1.99 -2.69 132.00 139.22 1g90 h PRO 133 Ca -0.23 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.77 1g90 h PRO 133 Cb 1.08 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 1g90 h PRO 133 CO 0.97 0.00 -0.20 0.93 -0.23 0.00 0.00 178.00 179.47 1g90 h GLU 134 N 0.00 1.02 -3.04 0.86 3.07 -1.92 -3.44 114.58 111.11 1g90 h GLU 134 Ca 0.01 -0.43 -0.20 0.00 -0.50 0.00 0.00 59.36 58.25 1g90 h GLU 134 Cb 0.12 -0.04 -0.30 0.00 -0.84 0.00 0.00 28.75 27.69 1g90 h GLU 134 CO -0.00 1.11 -0.49 -1.50 -1.40 0.00 0.00 179.01 176.73 1g90 s ILE 135 N -4.71 -0.04 -0.03 3.13 2.07 -1.01 -0.06 121.20 120.55 1g90 s ILE 135 Ca -0.11 0.14 -0.07 0.00 -1.41 0.00 0.00 60.65 59.19 1g90 s ILE 135 Cb 0.12 -0.37 0.01 0.00 0.13 0.00 0.00 42.46 42.35 1g90 s ILE 135 CO 0.87 0.06 0.16 0.00 -1.91 0.00 0.00 174.94 174.12 1g90 s ALA 136 N 1.17 -0.39 0.18 1.50 0.00 0.39 -4.22 121.76 120.39 1g90 s ALA 136 Ca -0.09 0.15 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 1g90 s ALA 136 Cb -0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.91 1g90 s ALA 136 CO -0.08 -0.16 0.42 0.99 0.00 0.00 0.00 175.76 176.93 1g90 s THR 137 N -0.75 5.14 0.09 0.00 2.01 0.09 -0.47 115.64 121.76 1g90 s THR 137 Ca -0.08 -0.01 0.05 0.00 0.31 0.00 0.00 61.69 61.95 1g90 s THR 137 Cb -0.05 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.77 1g90 s THR 137 CO 0.01 -0.06 -0.13 -0.13 -0.69 0.00 0.00 174.62 173.62 1g90 s ARG 138 N -2.93 0.88 0.04 4.92 0.52 0.82 -0.23 118.95 122.97 1g90 s ARG 138 Ca 0.41 -1.09 -0.03 0.00 -0.52 0.00 0.00 55.73 54.50 1g90 s ARG 138 Cb -0.12 -0.75 -0.02 0.00 0.52 0.00 0.00 34.95 34.59 1g90 s ARG 138 CO 0.26 0.15 0.02 -0.48 0.02 0.00 0.00 175.30 175.27 1g90 s LEU 139 N -2.16 2.12 0.04 2.53 0.05 -0.22 -1.02 118.68 120.02 1g90 s LEU 139 Ca 0.03 -0.64 -0.08 0.00 0.05 0.00 0.00 54.13 53.49 1g90 s LEU 139 Cb -0.06 0.34 -0.00 0.00 -2.05 0.00 0.00 46.19 44.42 1g90 s LEU 139 CO 0.02 -0.47 0.16 -1.83 -0.55 0.00 0.00 176.35 173.68 1g90 s GLU 140 N -2.58 0.67 0.05 1.48 -1.05 0.23 -0.93 118.70 116.56 1g90 s GLU 140 Ca -0.05 -0.71 0.03 0.00 -0.15 0.00 0.00 54.97 54.09 1g90 s GLU 140 Cb -0.02 0.27 -0.03 0.00 -0.44 0.00 0.00 34.13 33.92 1g90 s GLU 140 CO -0.05 -0.19 -0.10 0.71 0.95 0.00 0.00 175.26 176.58 1g90 s TYR 141 N -2.74 0.90 0.22 4.83 1.51 0.70 -1.54 117.35 121.23 1g90 s TYR 141 Ca -0.04 -0.46 0.01 0.00 -1.01 0.00 0.00 57.07 55.57 1g90 s TYR 141 Cb -0.00 -0.52 -0.05 0.00 -0.11 0.00 0.00 41.96 41.28 1g90 s TYR 141 CO -0.05 -0.02 0.06 1.14 -1.11 0.00 0.00 175.55 175.57 1g90 s GLN 142 N -1.55 1.27 0.56 -0.62 -2.07 0.49 -1.10 119.66 116.63 1g90 s GLN 142 Ca -0.06 -1.66 -0.08 0.00 -1.82 0.00 0.00 55.36 51.74 1g90 s GLN 142 Cb -0.10 -0.21 -0.03 0.00 -1.09 0.00 0.00 33.01 31.58 1g90 s GLN 142 CO 0.01 -0.24 0.91 0.12 -1.32 0.00 0.00 175.29 174.77 1g90 s PHE 143 N -3.76 3.56 0.00 9.60 5.36 -1.26 -0.86 117.98 130.62 1g90 s PHE 143 Ca 0.32 1.01 0.00 0.00 -0.96 0.00 0.00 56.93 57.31 1g90 s PHE 143 Cb 0.07 -2.54 0.00 0.00 -0.34 0.00 0.00 43.02 40.21 1g90 s PHE 143 CO 0.10 -0.53 0.00 -2.37 -1.46 0.00 0.00 175.22 170.95 1g90 n THR 144 N -2.52 0.00 0.00 0.12 5.66 -1.25 -4.64 114.28 111.65 1g90 n THR 144 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1g90 n THR 144 Cb 0.55 -0.31 0.00 0.00 -1.55 0.00 0.00 70.33 69.02 1g90 n THR 144 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1g90 n ASN 145 N -1.26 0.00 0.00 1.09 4.05 -1.26 -4.71 115.26 113.17 1g90 n ASN 145 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1g90 n ASN 145 Cb 0.21 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.22 1g90 n ASN 145 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1g90 n ASN 146 N 0.15 0.00 -4.67 1.20 3.02 -1.26 -3.39 115.26 110.31 1g90 n ASN 146 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1g90 n ASN 146 Cb 0.00 -0.26 -0.03 0.00 -0.61 0.00 0.00 39.78 38.88 1g90 n ASN 146 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1g90 s ILE 147 N -0.08 3.21 -0.03 2.41 2.07 -1.25 -4.87 121.20 122.66 1g90 s ILE 147 Ca 0.00 0.45 -0.09 0.00 -1.41 0.00 0.00 60.65 59.59 1g90 s ILE 147 Cb 0.00 -3.29 0.01 0.00 0.13 0.00 0.00 42.46 39.32 1g90 s ILE 147 CO 0.00 -0.02 0.21 -0.83 -1.91 0.00 0.00 174.94 172.39 1g90 s GLY 148 N 3.21 -0.08 0.36 1.50 0.00 -1.26 -5.08 107.32 105.97 1g90 s GLY 148 Ca 0.77 0.25 -0.14 0.00 0.00 0.00 0.00 44.72 45.60 1g90 s GLY 148 CO 0.33 0.12 0.73 -0.35 0.00 0.00 0.00 173.10 173.93 1g90 s ASP 149 N -0.84 0.11 0.00 1.64 -1.08 -1.26 -4.51 116.67 110.73 1g90 s ASP 149 Ca -0.09 -1.13 0.00 0.00 -0.52 0.00 0.00 52.55 50.81 1g90 s ASP 149 Cb -0.05 0.80 0.00 0.00 -1.46 0.00 0.00 42.92 42.21 1g90 s ASP 149 CO 0.02 -1.58 0.00 0.00 0.52 0.00 0.00 175.17 174.13 1g90 n ALA 150 N -0.52 0.00 0.00 3.66 0.00 -1.26 -4.96 120.51 117.43 1g90 n ALA 150 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1g90 n ALA 150 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1g90 n ALA 150 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1g90 n HIS 151 N 0.00 0.00 -1.52 0.00 -0.00 -1.26 -5.15 115.22 107.30 1g90 n HIS 151 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1g90 n HIS 151 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.12 1g90 n HIS 151 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1g90 n THR 152 N -0.30 0.00 -4.28 3.57 5.66 -1.26 -5.18 114.28 112.49 1g90 n THR 152 Ca 0.00 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.85 1g90 n THR 152 Cb 0.00 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 1g90 n THR 152 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 1g90 s ILE 153 N 0.02 1.10 0.00 1.09 -4.36 -1.26 -4.79 121.20 112.99 1g90 s ILE 153 Ca 0.00 -2.05 0.00 0.00 -0.26 0.00 0.00 60.65 58.34 1g90 s ILE 153 Cb 0.00 -2.06 0.00 0.00 1.25 0.00 0.00 42.46 41.65 1g90 s ILE 153 CO 0.00 -0.57 0.00 0.61 0.24 0.00 0.00 174.94 175.22 1g90 n GLY 154 N -0.29 0.11 3.55 6.27 0.00 -1.26 -5.10 105.19 108.48 1g90 n GLY 154 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 1g90 n GLY 154 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g90 s THR 155 N 0.00 3.36 0.28 2.61 2.01 -1.26 -4.94 115.64 117.70 1g90 s THR 155 Ca 0.00 0.12 -0.24 0.00 0.31 0.00 0.00 61.69 61.87 1g90 s THR 155 Cb 0.00 -3.92 -0.09 0.00 0.01 0.00 0.00 72.50 68.49 1g90 s THR 155 CO 0.00 -0.89 0.87 -0.13 -0.69 0.00 0.00 174.62 173.78 1g90 s ARG 156 N 7.08 4.50 0.00 4.92 0.52 -1.26 -3.85 118.95 130.86 1g90 s ARG 156 Ca 0.68 1.20 -0.00 0.00 -0.52 0.00 0.00 55.73 57.09 1g90 s ARG 156 Cb -0.12 -2.86 -0.02 0.00 0.52 0.00 0.00 34.95 32.47 1g90 s ARG 156 CO 0.18 0.34 1.89 -0.35 0.02 0.00 0.00 175.30 177.38 1g90 n PRO 157 N 0.69 0.96 0.21 3.54 -0.04 -1.22 -4.63 135.00 134.51 1g90 n PRO 157 Ca 0.00 -0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.46 1g90 n PRO 157 Cb 0.50 -1.13 0.58 0.00 -0.04 0.00 0.00 33.50 33.42 1g90 n PRO 157 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1g90 h ASP 158 N 1.50 0.09 -4.35 3.54 3.32 -1.88 -3.45 116.42 115.19 1g90 h ASP 158 Ca 0.01 -0.00 -0.42 0.00 0.02 0.00 0.00 57.03 56.64 1g90 h ASP 158 Cb 0.92 -0.02 -0.14 0.00 0.22 0.00 0.00 39.33 40.31 1g90 h ASP 158 CO 0.02 0.09 -0.57 0.54 -1.72 0.00 0.00 179.24 177.59 1g90 s ASN 159 N -6.99 1.64 0.34 6.45 4.22 -1.26 -4.80 114.94 114.54 1g90 s ASN 159 Ca -0.05 -1.50 0.08 0.00 -2.14 0.00 0.00 52.86 49.24 1g90 s ASN 159 Cb 0.17 0.29 -0.04 0.00 1.28 0.00 0.00 41.25 42.95 1g90 s ASN 159 CO 0.68 -0.82 0.21 -0.83 -2.04 0.00 0.00 177.10 174.30 1g90 s GLY 160 N -3.39 1.90 0.04 0.45 0.00 -1.26 -3.95 107.32 101.11 1g90 s GLY 160 Ca 0.35 -1.77 0.01 0.00 0.00 0.00 0.00 44.72 43.31 1g90 s GLY 160 CO 0.16 -1.69 0.09 -0.29 0.00 0.00 0.00 173.10 171.37 1g90 s MET 161 N -3.91 3.00 0.17 2.90 1.75 -0.04 -4.60 119.30 118.57 1g90 s MET 161 Ca 0.39 -0.59 0.05 0.00 -1.25 0.00 0.00 55.69 54.29 1g90 s MET 161 Cb -0.04 -2.80 -0.05 0.00 2.84 0.00 0.00 34.83 34.78 1g90 s MET 161 CO 0.24 0.60 -0.09 -0.48 -0.65 0.00 0.00 175.02 174.64 1g90 s LEU 162 N -2.12 2.49 0.06 4.11 0.05 0.07 -0.38 118.68 122.96 1g90 s LEU 162 Ca 0.27 -1.04 0.00 0.00 0.05 0.00 0.00 54.13 53.41 1g90 s LEU 162 Cb -0.12 -0.39 -0.04 0.00 -2.05 0.00 0.00 46.19 43.59 1g90 s LEU 162 CO 0.19 -0.33 -0.04 -0.55 -0.55 0.00 0.00 176.35 175.07 1g90 s SER 163 N -3.21 0.69 0.06 1.48 0.15 -0.59 -1.23 113.70 111.05 1g90 s SER 163 Ca 0.19 -0.91 -0.13 0.00 0.70 0.00 0.00 55.95 55.80 1g90 s SER 163 Cb 0.02 0.14 0.02 0.00 -1.71 0.00 0.00 66.02 64.49 1g90 s SER 163 CO 0.03 -0.49 0.29 -1.48 1.20 0.00 0.00 173.24 172.78 1g90 s LEU 164 N -2.69 0.96 0.25 3.45 0.05 0.18 -0.60 118.68 120.27 1g90 s LEU 164 Ca 0.05 -0.28 -0.21 0.00 0.05 0.00 0.00 54.13 53.74 1g90 s LEU 164 Cb 0.04 1.31 0.06 0.00 -2.05 0.00 0.00 46.19 45.55 1g90 s LEU 164 CO -0.07 -0.65 0.90 -0.83 -0.55 0.00 0.00 176.35 175.16 1g90 s GLY 165 N -2.24 0.07 0.01 -3.48 0.00 -0.19 -0.44 107.32 101.05 1g90 s GLY 165 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 44.72 44.36 1g90 s GLY 165 CO -0.05 0.62 -0.02 0.54 0.00 0.00 0.00 173.10 174.18 1g90 s VAL 166 N -2.77 0.13 -0.00 1.40 0.11 -0.32 -0.13 120.40 118.83 1g90 s VAL 166 Ca 0.16 -0.50 -0.21 0.00 -2.93 0.00 0.00 61.98 58.50 1g90 s VAL 166 Cb -0.04 -0.20 0.04 0.00 -1.53 0.00 0.00 36.38 34.66 1g90 s VAL 166 CO 0.07 -0.23 0.46 -0.94 -3.33 0.00 0.00 175.10 171.13 1g90 s SER 167 N -0.76 -0.38 0.08 3.54 1.04 0.39 -1.29 113.70 116.32 1g90 s SER 167 Ca -0.07 0.26 0.03 0.00 0.48 0.00 0.00 55.95 56.65 1g90 s SER 167 Cb -0.05 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.45 1g90 s SER 167 CO -0.00 -0.58 0.06 -0.47 0.98 0.00 0.00 173.24 173.23 1g90 s TYR 168 N -1.69 3.15 0.04 5.02 5.04 0.47 -0.46 117.35 128.92 1g90 s TYR 168 Ca -0.10 0.06 -0.01 0.00 -2.44 0.00 0.00 57.07 54.58 1g90 s TYR 168 Cb -0.02 -1.61 -0.03 0.00 0.35 0.00 0.00 41.96 40.65 1g90 s TYR 168 CO 0.04 0.51 -0.03 -0.98 -1.34 0.00 0.00 175.55 173.75 1g90 s ARG 169 N -2.35 0.50 0.61 4.97 3.03 0.91 -1.00 118.95 125.63 1g90 s ARG 169 Ca 0.28 -0.98 -0.18 0.00 2.03 0.00 0.00 55.73 56.89 1g90 s ARG 169 Cb -0.12 0.17 -0.02 0.00 -1.03 0.00 0.00 34.95 33.95 1g90 s ARG 169 CO 0.21 -0.09 1.17 0.12 -1.13 0.00 0.00 175.30 175.58 1g90 s PHE 170 N -2.97 2.46 0.00 5.89 2.19 -1.25 -4.58 117.98 119.72 1g90 s PHE 170 Ca -0.02 1.54 0.00 0.00 0.33 0.00 0.00 56.93 58.78 1g90 s PHE 170 Cb 0.01 -3.37 0.00 0.00 -1.31 0.00 0.00 43.02 38.35 1g90 s PHE 170 CO -0.07 -2.00 0.00 0.41 1.83 0.00 0.00 175.22 175.40 1g90 n GLY 171 N 0.19 1.09 0.10 13.12 0.00 -1.26 -4.68 105.19 113.76 1g90 n GLY 171 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 1g90 n GLY 171 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1g90 h GLN 172 N 0.00 0.15 0.00 1.61 4.15 -1.87 -3.41 115.11 115.74 1g90 h GLN 172 Ca 0.00 -0.25 -0.14 0.00 0.77 0.00 0.00 58.65 59.03 1g90 h GLN 172 Cb 0.00 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 1g90 h GLN 172 CO 0.00 0.93 -0.10 0.41 -1.93 0.00 0.00 178.83 178.13 1g90 n GLY 173 N 1.63 4.04 0.28 2.39 0.00 -1.18 -5.02 105.19 107.34 1g90 n GLY 173 Ca -0.16 -2.20 0.13 0.00 0.00 0.00 0.00 46.02 43.79 1g90 n GLY 173 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1g90 h GLU 174 N 0.00 0.00 -4.26 1.61 5.08 -1.93 -3.41 114.58 111.67 1g90 h GLU 174 Ca -0.09 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.14 1g90 h GLU 174 Cb 0.27 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.37 1g90 h GLU 174 CO 0.14 0.02 -0.66 0.00 -1.00 0.00 0.00 179.01 177.52 1g90 s ALA 175 N -4.67 0.54 0.00 3.43 0.00 -1.26 -4.66 121.76 115.14 1g90 s ALA 175 Ca -0.05 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.68 1g90 s ALA 175 Cb 0.15 0.41 0.00 0.00 0.00 0.00 0.00 23.12 23.68 1g90 s ALA 175 CO 0.58 -0.40 0.00 0.00 0.00 0.00 0.00 175.76 175.94