#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 2.30 0.00 0.00 0.04 -1.26 -4.92 135.00 131.16 1g90 s PRO 2 Ca 0.00 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1g90 s PRO 2 Cb 0.00 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1g90 s PRO 2 CO 0.00 -1.61 1.61 1.17 0.04 0.00 0.00 177.00 178.21 1g90 n LYS 3 N -3.45 0.97 -0.50 4.56 0.00 -1.26 -4.62 118.16 113.87 1g90 n LYS 3 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 58.31 58.38 1g90 n LYS 3 Cb 0.53 -1.01 -0.04 0.00 0.00 0.00 0.00 35.03 34.51 1g90 n LYS 3 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1g90 n ASP 4 N 1.17 4.21 -3.18 3.14 8.00 -1.26 -4.32 116.55 124.30 1g90 n ASP 4 Ca 0.00 -2.16 0.01 0.00 0.71 0.00 0.00 54.79 53.36 1g90 n ASP 4 Cb 0.49 -0.96 -0.01 0.00 -0.02 0.00 0.00 41.12 40.62 1g90 n ASP 4 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1g90 s ASN 5 N 2.06 -1.24 -0.09 -2.24 0.01 -1.20 -4.32 114.94 107.91 1g90 s ASN 5 Ca 0.14 0.10 -0.00 0.00 -0.71 0.00 0.00 52.86 52.39 1g90 s ASN 5 Cb 0.07 1.86 0.02 0.00 0.41 0.00 0.00 41.25 43.61 1g90 s ASN 5 CO 0.00 -0.31 -0.07 -0.89 -1.51 0.00 0.00 177.10 174.33 1g90 s THR 6 N 2.78 0.88 0.21 1.60 2.01 0.00 -4.99 115.64 118.13 1g90 s THR 6 Ca 0.10 -0.22 0.05 0.00 0.31 0.00 0.00 61.69 61.93 1g90 s THR 6 Cb -0.11 -0.91 -0.03 0.00 0.01 0.00 0.00 72.50 71.46 1g90 s THR 6 CO -0.27 0.33 0.27 0.26 -0.69 0.00 0.00 174.62 174.53 1g90 s TRP 7 N 1.55 3.34 0.08 4.92 0.52 -1.26 -0.13 118.94 127.96 1g90 s TRP 7 Ca 0.01 -0.01 -0.08 0.00 0.02 0.00 0.00 56.10 56.05 1g90 s TRP 7 Cb -0.13 -1.55 -0.01 0.00 -1.15 0.00 0.00 33.47 30.64 1g90 s TRP 7 CO -0.05 0.49 0.16 0.71 0.02 0.00 0.00 176.95 178.28 1g90 s TYR 8 N -1.92 0.19 0.13 -1.98 1.51 0.86 -0.38 117.35 115.75 1g90 s TYR 8 Ca 0.33 -0.63 -0.12 0.00 -1.01 0.00 0.00 57.07 55.65 1g90 s TYR 8 Cb -0.09 -0.10 0.01 0.00 -0.11 0.00 0.00 41.96 41.67 1g90 s TYR 8 CO 0.27 -0.52 0.30 -0.08 -1.11 0.00 0.00 175.55 174.41 1g90 s THR 9 N -3.82 0.09 -3.66 -0.71 -1.32 -0.43 -0.47 115.64 105.32 1g90 s THR 9 Ca 0.05 -1.01 0.00 0.00 -1.21 0.00 0.00 61.69 59.52 1g90 s THR 9 Cb 0.05 -1.42 0.00 0.00 -1.51 0.00 0.00 72.50 69.62 1g90 s THR 9 CO -0.11 -0.43 0.00 0.61 -2.21 0.00 0.00 174.62 172.49 1g90 n GLY 10 N -0.17 -0.57 3.19 6.08 0.00 -0.46 0.24 105.19 113.51 1g90 n GLY 10 Ca -0.13 -0.69 -0.12 0.00 0.00 0.00 0.00 46.02 45.08 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 1.13 0.04 4.61 0.00 -0.34 -0.25 121.76 125.94 1g90 s ALA 11 Ca 0.00 -1.34 0.02 0.00 0.00 0.00 0.00 51.96 50.64 1g90 s ALA 11 Cb 0.00 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.19 1g90 s ALA 11 CO 0.00 -0.15 -0.07 0.15 0.00 0.00 0.00 175.76 175.69 1g90 s LYS 12 N -3.53 0.50 0.13 0.00 3.01 -0.08 -1.28 119.74 118.49 1g90 s LYS 12 Ca 0.11 -0.76 0.01 0.00 -1.01 0.00 0.00 55.97 54.33 1g90 s LYS 12 Cb 0.02 -0.22 -0.04 0.00 -1.01 0.00 0.00 37.83 36.58 1g90 s LYS 12 CO -0.02 0.03 -0.01 -0.51 0.51 0.00 0.00 175.35 175.35 1g90 s LEU 13 N -1.62 2.20 0.13 3.17 1.02 0.62 -0.81 118.68 123.39 1g90 s LEU 13 Ca -0.10 -1.11 0.05 0.00 0.02 0.00 0.00 54.13 52.98 1g90 s LEU 13 Cb -0.09 0.04 -0.04 0.00 0.02 0.00 0.00 46.19 46.12 1g90 s LEU 13 CO -0.00 -0.58 -0.11 -0.83 0.02 0.00 0.00 176.35 174.85 1g90 s GLY 14 N -3.08 1.02 0.02 -3.19 0.00 0.23 -0.24 107.32 102.08 1g90 s GLY 14 Ca 0.19 -1.37 -0.06 0.00 0.00 0.00 0.00 44.72 43.48 1g90 s GLY 14 CO -0.01 -1.45 0.11 -0.12 0.00 0.00 0.00 173.10 171.64 1g90 s PHE 15 N -2.81 0.12 0.00 1.90 5.36 0.30 -1.33 117.98 121.52 1g90 s PHE 15 Ca 0.12 -0.32 0.00 0.00 -0.96 0.00 0.00 56.93 55.77 1g90 s PHE 15 Cb -0.01 -0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.58 1g90 s PHE 15 CO 0.01 -0.32 0.00 -1.13 -1.46 0.00 0.00 175.22 172.32 1g90 n SER 16 N 1.14 0.00 0.00 6.13 3.41 0.29 -1.71 113.62 122.88 1g90 n SER 16 Ca -0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1g90 n SER 16 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1g90 n SER 16 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 1g90 n GLN 17 N 13.21 0.00 0.00 4.33 7.27 -0.76 0.23 117.38 141.67 1g90 n GLN 17 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1g90 n GLN 17 Cb 0.00 -2.09 0.00 0.00 2.41 0.00 0.00 30.24 30.56 1g90 n GLN 17 CO 0.00 0.00 0.00 0.98 0.07 0.00 0.00 177.06 178.11 1g90 n TYR 18 N -0.24 0.00 -4.10 3.69 9.36 -1.21 -4.00 117.16 120.66 1g90 n TYR 18 Ca 0.00 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.10 1g90 n TYR 18 Cb 0.00 0.00 -0.07 0.00 -0.63 0.00 0.00 39.34 38.64 1g90 n TYR 18 CO 0.00 0.00 0.00 -1.01 0.22 0.00 0.00 176.86 176.07 1g90 s HIS 19 N 0.00 0.85 0.24 2.98 3.76 -1.26 -4.64 115.29 117.22 1g90 s HIS 19 Ca 0.00 -1.12 -0.07 0.00 -0.15 0.00 0.00 55.06 53.73 1g90 s HIS 19 Cb 0.00 -0.19 0.03 0.00 1.11 0.00 0.00 32.58 33.53 1g90 s HIS 19 CO 0.00 -0.88 0.44 -3.47 -0.85 0.00 0.00 174.74 169.98 1g90 n ASP 20 N -0.58 -1.27 -3.25 1.40 -0.08 -1.26 -4.73 116.55 106.78 1g90 n ASP 20 Ca 0.01 -2.07 0.00 0.00 -1.51 0.00 0.00 54.79 51.22 1g90 n ASP 20 Cb 0.63 2.17 0.00 0.00 2.34 0.00 0.00 41.12 46.26 1g90 n ASP 20 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1g90 n THR 21 N -0.35 0.00 0.00 5.18 -2.24 -1.26 -4.47 114.28 111.14 1g90 n THR 21 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1g90 n THR 21 Cb 0.37 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1g90 n THR 21 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g90 n GLY 22 N 0.27 1.54 3.77 3.38 0.00 -0.99 -4.68 105.19 108.48 1g90 n GLY 22 Ca 0.00 0.16 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 1g90 n GLY 22 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1g90 s PHE 23 N 0.00 -0.21 0.01 1.61 -0.71 -1.24 -4.86 117.98 112.58 1g90 s PHE 23 Ca 0.00 -0.16 0.03 0.00 -1.04 0.00 0.00 56.93 55.75 1g90 s PHE 23 Cb 0.00 0.66 -0.01 0.00 -1.21 0.00 0.00 43.02 42.46 1g90 s PHE 23 CO 0.00 -1.02 -0.08 0.42 -1.34 0.00 0.00 175.22 173.19 1g90 s ILE 24 N -3.64 0.64 0.00 -4.49 -1.09 -1.26 -4.22 121.20 107.15 1g90 s ILE 24 Ca 0.10 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 1g90 s ILE 24 Cb -0.04 -0.58 0.00 0.00 -1.58 0.00 0.00 42.46 40.27 1g90 s ILE 24 CO 0.03 0.05 0.00 0.59 -1.23 0.00 0.00 174.94 174.38 1g90 n ASN 25 N 2.53 0.00 -4.47 3.58 5.03 -1.26 -4.95 115.26 115.72 1g90 n ASN 25 Ca -0.15 0.00 -0.43 0.00 0.87 0.00 0.00 54.58 54.86 1g90 n ASN 25 Cb 0.57 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.30 1g90 n ASN 25 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1g90 s ASN 26 N 1.00 6.58 0.84 6.41 3.04 -1.26 -4.88 114.94 126.67 1g90 s ASN 26 Ca 0.00 -1.88 0.00 0.00 0.04 0.00 0.00 52.86 51.02 1g90 s ASN 26 Cb 0.00 -2.43 0.00 0.00 -1.54 0.00 0.00 41.25 37.28 1g90 s ASN 26 CO 0.00 -1.16 0.00 0.59 -3.04 0.00 0.00 177.10 173.49 1g90 n ASN 27 N 7.01 -4.90 -3.45 -4.21 3.02 -1.26 -5.02 115.26 106.45 1g90 n ASN 27 Ca 0.24 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.72 1g90 n ASN 27 Cb 0.49 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 1g90 n ASN 27 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1g90 s GLY 28 N -4.95 0.08 0.01 7.41 0.00 -1.26 -4.46 107.32 104.15 1g90 s GLY 28 Ca 0.00 -0.40 0.12 0.00 0.00 0.00 0.00 44.72 44.43 1g90 s GLY 28 CO 0.00 0.14 1.37 -1.55 0.00 0.00 0.00 173.10 173.06 1g90 n PRO 29 N -0.52 0.01 0.04 2.90 -0.04 -1.26 -2.25 135.00 133.88 1g90 n PRO 29 Ca -0.06 0.31 0.05 0.00 -0.04 0.00 0.00 63.50 63.76 1g90 n PRO 29 Cb 0.60 -1.51 0.23 0.00 -0.04 0.00 0.00 33.50 32.78 1g90 n PRO 29 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1g90 n THR 30 N -1.52 1.44 0.00 0.52 5.66 -1.26 -4.40 114.28 114.71 1g90 n THR 30 Ca 0.03 0.44 0.00 0.00 -3.05 0.00 0.00 64.05 61.46 1g90 n THR 30 Cb 0.13 -1.36 0.00 0.00 -1.55 0.00 0.00 70.33 67.55 1g90 n THR 30 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 175.07 173.59 1g90 n HIS 31 N -1.70 0.00 -1.62 1.09 -0.00 -0.95 -4.69 115.22 107.36 1g90 n HIS 31 Ca 0.01 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.89 1g90 n HIS 31 Cb 0.08 0.00 -0.08 0.00 -0.12 0.00 0.00 29.99 29.87 1g90 n HIS 31 CO 0.00 0.00 0.00 -1.91 0.46 0.00 0.00 176.34 174.89 1g90 n GLU 32 N 0.00 1.13 -0.39 1.57 4.07 -1.20 -4.15 120.64 121.66 1g90 n GLU 32 Ca 0.00 -2.04 0.00 0.00 -0.06 0.00 0.00 57.16 55.06 1g90 n GLU 32 Cb 0.00 -3.48 0.00 0.00 -0.06 0.00 0.00 31.44 27.90 1g90 n GLU 32 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 177.13 177.34 1g90 n ASN 33 N 13.47 0.00 0.00 4.31 2.04 -1.22 -4.60 115.26 129.26 1g90 n ASN 33 Ca 0.45 -1.75 0.00 0.00 -0.44 0.00 0.00 54.58 52.84 1g90 n ASN 33 Cb 0.45 -0.15 0.00 0.00 -2.53 0.00 0.00 39.78 37.55 1g90 n ASN 33 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1g90 n GLN 34 N 0.00 0.00 -3.92 -3.83 6.02 0.14 -3.36 117.38 112.42 1g90 n GLN 34 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 1g90 n GLN 34 Cb 0.65 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.86 1g90 n GLN 34 CO 0.00 0.00 0.00 -0.48 -1.01 0.00 0.00 177.06 175.57 1g90 s LEU 35 N 0.00 0.31 0.20 1.08 -0.00 -1.26 -0.54 118.68 118.46 1g90 s LEU 35 Ca 0.00 -0.78 -0.08 0.00 -0.00 0.00 0.00 54.13 53.26 1g90 s LEU 35 Cb 0.00 1.85 -0.01 0.00 -0.00 0.00 0.00 46.19 48.03 1g90 s LEU 35 CO 0.00 -1.10 0.31 -0.83 -0.00 0.00 0.00 176.35 174.73 1g90 s GLY 36 N -2.97 0.72 0.02 -3.48 0.00 -0.44 -3.27 107.32 97.90 1g90 s GLY 36 Ca 0.17 -1.07 -0.23 0.00 0.00 0.00 0.00 44.72 43.59 1g90 s GLY 36 CO 0.05 -0.90 0.53 0.00 0.00 0.00 0.00 173.10 172.77 1g90 s ALA 37 N -4.03 -1.35 -0.16 3.20 0.00 -1.26 -0.60 121.76 117.56 1g90 s ALA 37 Ca 0.24 0.69 -0.35 0.00 0.00 0.00 0.00 51.96 52.55 1g90 s ALA 37 Cb 0.03 0.28 0.14 0.00 0.00 0.00 0.00 23.12 23.57 1g90 s ALA 37 CO 0.06 -0.46 1.29 0.20 0.00 0.00 0.00 175.76 176.85 1g90 s GLY 38 N -1.77 -0.32 -0.04 0.00 0.00 0.01 -4.78 107.32 100.42 1g90 s GLY 38 Ca -0.07 1.40 0.05 0.00 0.00 0.00 0.00 44.72 46.09 1g90 s GLY 38 CO 0.01 0.42 -0.17 0.00 0.00 0.00 0.00 173.10 173.37 1g90 s ALA 39 N -2.29 2.56 0.10 3.20 0.00 0.37 -0.91 121.76 124.80 1g90 s ALA 39 Ca 0.12 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1g90 s ALA 39 Cb 0.01 -0.87 -0.04 0.00 0.00 0.00 0.00 23.12 22.22 1g90 s ALA 39 CO -0.04 0.55 -0.08 -0.06 0.00 0.00 0.00 175.76 176.13 1g90 s PHE 40 N -0.72 0.97 0.03 0.00 0.40 0.65 -0.38 117.98 118.93 1g90 s PHE 40 Ca 0.11 -0.83 0.07 0.00 -0.60 0.00 0.00 56.93 55.69 1g90 s PHE 40 Cb -0.10 -0.54 -0.02 0.00 0.51 0.00 0.00 43.02 42.86 1g90 s PHE 40 CO 0.01 -0.08 -0.21 0.20 0.70 0.00 0.00 175.22 175.83 1g90 s GLY 41 N -2.92 1.12 0.08 4.36 0.00 0.24 -1.35 107.32 108.85 1g90 s GLY 41 Ca 0.11 -1.03 -0.01 0.00 0.00 0.00 0.00 44.72 43.78 1g90 s GLY 41 CO -0.03 -0.93 0.01 -0.32 0.00 0.00 0.00 173.10 171.83 1g90 s GLY 42 N -0.98 0.61 -0.08 0.20 0.00 0.38 -0.83 107.32 106.61 1g90 s GLY 42 Ca 0.08 -1.26 -0.12 0.00 0.00 0.00 0.00 44.72 43.42 1g90 s GLY 42 CO 0.01 -1.31 0.31 -0.19 0.00 0.00 0.00 173.10 171.93 1g90 s TYR 43 N -3.96 -0.28 -0.14 1.90 2.02 0.75 -0.10 117.35 117.55 1g90 s TYR 43 Ca 0.12 0.62 0.02 0.00 -0.37 0.00 0.00 57.07 57.46 1g90 s TYR 43 Cb 0.08 0.11 0.02 0.00 -0.40 0.00 0.00 41.96 41.76 1g90 s TYR 43 CO -0.06 -0.26 -0.19 -0.65 -1.57 0.00 0.00 175.55 172.82 1g90 s GLN 44 N -0.43 2.70 0.00 -0.62 -0.21 0.81 -0.48 119.66 121.43 1g90 s GLN 44 Ca -0.05 -0.73 0.00 0.00 0.02 0.00 0.00 55.36 54.60 1g90 s GLN 44 Cb -0.04 -2.27 0.00 0.00 1.00 0.00 0.00 33.01 31.70 1g90 s GLN 44 CO 0.02 -0.10 0.00 1.55 -2.12 0.00 0.00 175.29 174.63 1g90 n VAL 45 N 4.34 0.00 -3.96 1.09 3.14 -0.58 -0.82 118.33 121.55 1g90 n VAL 45 Ca -0.19 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.09 1g90 n VAL 45 Cb 0.51 1.36 -0.06 0.00 -1.06 0.00 0.00 33.84 34.59 1g90 n VAL 45 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 1g90 s ASN 46 N 0.00 -0.04 -0.32 6.55 0.02 -0.92 -4.76 114.94 115.48 1g90 s ASN 46 Ca 0.00 -0.87 -0.28 0.00 -1.02 0.00 0.00 52.86 50.70 1g90 s ASN 46 Cb 0.00 0.50 -0.05 0.00 0.02 0.00 0.00 41.25 41.72 1g90 s ASN 46 CO 0.00 -0.99 2.16 -2.16 0.02 0.00 0.00 177.10 176.13 1g90 s PRO 47 N -3.98 2.93 -1.65 -0.60 0.04 -1.26 -0.77 135.00 129.71 1g90 s PRO 47 Ca 0.19 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1g90 s PRO 47 Cb 0.02 -4.39 0.00 0.00 0.04 0.00 0.00 34.50 30.17 1g90 s PRO 47 CO 0.03 -2.34 0.00 0.66 0.04 0.00 0.00 177.00 175.39 1g90 n TYR 48 N 12.37 -0.52 -4.51 0.56 4.01 -1.26 -4.98 117.16 122.82 1g90 n TYR 48 Ca 0.29 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.82 1g90 n TYR 48 Cb 0.48 -3.33 -0.15 0.00 -0.31 0.00 0.00 39.34 36.03 1g90 n TYR 48 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1g90 s VAL 49 N -2.79 0.94 0.36 -0.72 1.01 0.05 -0.47 120.40 118.77 1g90 s VAL 49 Ca 0.00 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 1g90 s VAL 49 Cb 0.00 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.60 1g90 s VAL 49 CO 0.00 0.27 0.53 0.61 0.00 0.00 0.00 175.10 176.52 1g90 n GLY 50 N 2.98 1.93 3.24 4.51 0.00 -0.38 -1.52 105.19 115.95 1g90 n GLY 50 Ca -0.16 -1.55 -0.09 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.83 0.43 0.11 1.61 0.40 0.37 -0.21 117.98 117.85 1g90 s PHE 51 Ca 0.27 -0.83 -0.14 0.00 -0.60 0.00 0.00 56.93 55.63 1g90 s PHE 51 Cb -0.02 -0.17 0.03 0.00 0.51 0.00 0.00 43.02 43.37 1g90 s PHE 51 CO 0.19 -0.60 0.34 -1.83 0.70 0.00 0.00 175.22 174.03 1g90 s GLU 52 N -3.95 1.00 0.05 0.44 -1.05 -0.42 -0.17 118.70 114.60 1g90 s GLU 52 Ca 0.14 -0.77 -0.05 0.00 -0.15 0.00 0.00 54.97 54.14 1g90 s GLU 52 Cb 0.05 0.43 -0.02 0.00 -0.44 0.00 0.00 34.13 34.16 1g90 s GLU 52 CO -0.04 -0.37 0.08 -1.64 0.95 0.00 0.00 175.26 174.24 1g90 s MET 53 N -3.80 0.62 0.27 -4.83 -1.94 -0.01 -0.16 119.30 109.45 1g90 s MET 53 Ca 0.03 -0.86 -0.16 0.00 -1.71 0.00 0.00 55.69 52.99 1g90 s MET 53 Cb 0.03 0.24 0.01 0.00 2.01 0.00 0.00 34.83 37.11 1g90 s MET 53 CO -0.12 -0.16 0.59 0.20 -0.01 0.00 0.00 175.02 175.53 1g90 s GLY 54 N -2.36 0.30 0.05 -0.03 0.00 -0.08 -0.59 107.32 104.62 1g90 s GLY 54 Ca -0.02 -0.66 -0.03 0.00 0.00 0.00 0.00 44.72 44.01 1g90 s GLY 54 CO -0.06 -0.41 0.02 -0.47 0.00 0.00 0.00 173.10 172.18 1g90 s TYR 55 N -3.87 0.42 0.70 1.90 6.14 0.49 -0.55 117.35 122.58 1g90 s TYR 55 Ca 0.18 -0.92 -0.08 0.00 0.64 0.00 0.00 57.07 56.88 1g90 s TYR 55 Cb -0.03 -0.31 0.04 0.00 0.42 0.00 0.00 41.96 42.09 1g90 s TYR 55 CO 0.09 -0.40 1.03 0.34 0.64 0.00 0.00 175.55 177.25 1g90 s ASP 56 N -2.79 5.07 -0.17 4.32 2.15 -0.03 -0.48 116.67 124.74 1g90 s ASP 56 Ca 0.05 0.71 -0.04 0.00 0.43 0.00 0.00 52.55 53.70 1g90 s ASP 56 Cb 0.06 -1.44 -0.16 0.00 -0.30 0.00 0.00 42.92 41.08 1g90 s ASP 56 CO -0.09 -1.48 2.50 2.22 -0.17 0.00 0.00 175.17 178.14 1g90 n PHE 57 N -2.93 0.25 0.00 -5.34 1.16 -1.26 -4.83 117.46 104.50 1g90 n PHE 57 Ca 0.07 -1.17 0.00 0.00 -1.87 0.00 0.00 57.45 54.48 1g90 n PHE 57 Cb 0.59 -1.28 0.00 0.00 -1.61 0.00 0.00 39.48 37.18 1g90 n PHE 57 CO 0.00 0.00 0.00 -0.11 -1.87 0.00 0.00 176.76 174.78 1g90 n LEU 58 N 2.89 0.00 -1.92 5.98 7.94 -1.26 -1.07 117.00 129.56 1g90 n LEU 58 Ca 0.32 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 55.08 1g90 n LEU 58 Cb 0.53 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.45 1g90 n LEU 58 CO 0.25 0.00 -0.15 0.61 -1.11 0.00 0.00 177.39 176.99 1g90 n GLY 59 N 0.00 0.38 1.01 -3.96 0.00 -1.26 -0.58 105.19 100.78 1g90 n GLY 59 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1g90 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g90 n ARG 60 N -2.37 0.00 -1.55 1.61 1.74 -0.24 -5.07 116.66 110.78 1g90 n ARG 60 Ca -0.15 0.06 -0.49 0.00 -0.77 0.00 0.00 57.85 56.50 1g90 n ARG 60 Cb 0.54 -1.63 -0.04 0.00 -1.02 0.00 0.00 32.46 30.30 1g90 n ARG 60 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 1g90 n MET 61 N -2.50 0.91 0.00 5.56 1.56 0.25 -4.84 117.12 118.06 1g90 n MET 61 Ca 0.00 0.32 0.04 0.00 -0.27 0.00 0.00 57.70 57.80 1g90 n MET 61 Cb 0.00 -1.75 0.25 0.00 2.15 0.00 0.00 33.22 33.87 1g90 n MET 61 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1g90 n PRO 62 N 1.54 0.60 -2.11 2.12 -0.04 -1.26 -4.83 135.00 131.03 1g90 n PRO 62 Ca 0.15 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.54 1g90 n PRO 62 Cb 0.23 -1.22 -0.01 0.00 -0.04 0.00 0.00 33.50 32.46 1g90 n PRO 62 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1g90 n TYR 63 N -0.72 -1.38 -3.93 0.54 0.18 -1.26 -4.89 117.16 105.71 1g90 n TYR 63 Ca 0.06 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.76 1g90 n TYR 63 Cb 0.03 -1.98 -0.09 0.00 -0.38 0.00 0.00 39.34 36.92 1g90 n TYR 63 CO 0.00 0.00 0.00 0.21 -2.08 0.00 0.00 176.86 174.99 1g90 s LYS 64 N -4.34 0.69 -0.84 -3.48 2.20 -1.26 -5.06 119.74 107.65 1g90 s LYS 64 Ca 0.00 -0.90 -0.20 0.00 -0.36 0.00 0.00 55.97 54.52 1g90 s LYS 64 Cb 0.00 0.27 -0.13 0.00 -1.51 0.00 0.00 37.83 36.46 1g90 s LYS 64 CO 0.00 -0.19 1.97 0.41 -0.36 0.00 0.00 175.35 177.19 1g90 n GLY 65 N 0.36 2.79 2.73 5.54 0.00 -1.26 -3.51 105.19 111.84 1g90 n GLY 65 Ca -0.17 -1.26 -0.04 0.00 0.00 0.00 0.00 46.02 44.55 1g90 n GLY 65 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1g90 n SER 66 N 7.01 -2.84 -2.78 1.61 7.64 -1.26 -4.87 113.62 118.13 1g90 n SER 66 Ca 0.49 -2.38 -0.14 0.00 1.01 0.00 0.00 58.87 57.85 1g90 n SER 66 Cb 0.37 1.46 0.06 0.00 -1.01 0.00 0.00 64.21 65.10 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 2.73 -3.79 0.15 0.44 0.31 -1.26 -4.84 118.33 112.08 1g90 n VAL 67 Ca 0.15 -0.27 0.19 0.00 -0.01 0.00 0.00 64.34 64.41 1g90 n VAL 67 Cb 0.59 -4.05 0.78 0.00 -0.91 0.00 0.00 33.84 30.25 1g90 n VAL 67 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1g90 h GLU 68 N -1.56 0.00 -4.00 5.55 9.09 -1.89 -3.41 114.58 118.37 1g90 h GLU 68 Ca -0.43 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 58.87 1g90 h GLU 68 Cb 1.25 0.00 -0.16 0.00 -1.65 0.00 0.00 28.75 28.20 1g90 h GLU 68 CO 0.38 0.00 -0.56 1.21 0.05 0.00 0.00 179.01 180.09 1g90 s ASN 69 N -5.26 0.30 0.00 3.06 2.47 -1.26 -4.86 114.94 109.39 1g90 s ASN 69 Ca -0.04 -0.76 0.00 0.00 0.42 0.00 0.00 52.86 52.48 1g90 s ASN 69 Cb 0.14 0.24 0.00 0.00 -1.45 0.00 0.00 41.25 40.18 1g90 s ASN 69 CO 0.51 -0.59 0.54 0.61 -3.72 0.00 0.00 177.10 174.44 1g90 n GLY 70 N 0.33 -0.36 3.31 1.21 0.00 -1.26 -5.11 105.19 103.31 1g90 n GLY 70 Ca -0.16 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.67 1g90 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g90 s ALA 71 N 0.00 1.86 -0.02 4.61 0.00 -1.26 -5.08 121.76 121.88 1g90 s ALA 71 Ca 0.00 -1.54 -0.16 0.00 0.00 0.00 0.00 51.96 50.26 1g90 s ALA 71 Cb 0.00 -0.09 -0.09 0.00 0.00 0.00 0.00 23.12 22.94 1g90 s ALA 71 CO 0.00 0.09 0.75 -0.92 0.00 0.00 0.00 175.76 175.69 1g90 h TYR 72 N 2.91 -0.55 -1.39 0.00 3.20 -1.97 -3.43 116.97 115.75 1g90 h TYR 72 Ca -0.39 -0.01 -0.41 0.00 3.14 0.00 0.00 58.73 61.05 1g90 h TYR 72 Cb 1.21 0.18 -0.32 0.00 1.54 0.00 0.00 36.73 39.34 1g90 h TYR 72 CO 0.69 -0.34 -0.96 0.36 -1.64 0.00 0.00 178.16 176.27 1g90 n LYS 73 N -4.74 0.96 -2.23 1.82 0.00 -1.26 -5.08 118.16 107.63 1g90 n LYS 73 Ca -0.07 -2.92 -0.42 0.00 -0.00 0.00 0.00 58.31 54.90 1g90 n LYS 73 Cb 0.23 -1.48 -0.03 0.00 -0.00 0.00 0.00 35.03 33.75 1g90 n LYS 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1g90 s ALA 74 N -1.50 3.55 0.21 0.58 0.00 -1.26 -4.50 121.76 118.83 1g90 s ALA 74 Ca 0.34 1.06 -0.09 0.00 0.00 0.00 0.00 51.96 53.28 1g90 s ALA 74 Cb 0.32 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 1g90 s ALA 74 CO -0.08 -0.57 0.34 -0.65 0.00 0.00 0.00 175.76 174.80 1g90 s GLN 75 N 1.03 1.34 -0.37 0.00 -0.21 -0.51 -4.93 119.66 116.02 1g90 s GLN 75 Ca 0.63 -1.31 0.05 0.00 0.02 0.00 0.00 55.36 54.75 1g90 s GLN 75 Cb -0.35 0.40 0.28 0.00 1.00 0.00 0.00 33.01 34.34 1g90 s GLN 75 CO 0.30 -0.51 1.26 0.41 -2.12 0.00 0.00 175.29 174.63 1g90 n GLY 76 N -0.30 -0.49 3.94 3.09 0.00 -1.23 -0.16 105.19 110.05 1g90 n GLY 76 Ca -0.03 0.37 -0.26 0.00 0.00 0.00 0.00 46.02 46.10 1g90 n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g90 s VAL 77 N 0.12 5.28 0.04 1.61 0.11 -0.09 -0.85 120.40 126.61 1g90 s VAL 77 Ca 0.18 -0.60 0.03 0.00 -2.93 0.00 0.00 61.98 58.66 1g90 s VAL 77 Cb 0.26 -3.75 -0.02 0.00 -1.53 0.00 0.00 36.38 31.34 1g90 s VAL 77 CO -0.12 -0.15 -0.10 -1.10 -3.33 0.00 0.00 175.10 170.30 1g90 s GLN 78 N -3.35 0.65 0.02 1.54 1.11 0.28 -1.13 119.66 118.79 1g90 s GLN 78 Ca 0.36 -0.75 -0.05 0.00 0.01 0.00 0.00 55.36 54.94 1g90 s GLN 78 Cb -0.11 -0.54 -0.01 0.00 -1.01 0.00 0.00 33.01 31.34 1g90 s GLN 78 CO 0.29 0.12 0.08 -0.48 0.01 0.00 0.00 175.29 175.31 1g90 s LEU 79 N -1.39 1.83 0.00 2.90 0.05 -0.17 -0.90 118.68 120.99 1g90 s LEU 79 Ca -0.05 -0.42 -0.23 0.00 0.05 0.00 0.00 54.13 53.48 1g90 s LEU 79 Cb -0.09 0.50 0.05 0.00 -2.05 0.00 0.00 46.19 44.60 1g90 s LEU 79 CO 0.01 -0.41 0.51 -0.89 -0.55 0.00 0.00 176.35 175.02 1g90 s THR 80 N -1.94 0.03 -0.05 5.48 2.01 0.77 -1.03 115.64 120.92 1g90 s THR 80 Ca -0.11 -0.24 0.06 0.00 0.31 0.00 0.00 61.69 61.71 1g90 s THR 80 Cb -0.05 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.55 1g90 s THR 80 CO -0.02 -0.13 -0.22 0.00 -0.69 0.00 0.00 174.62 173.56 1g90 s ALA 81 N -1.77 1.93 0.18 7.40 0.00 0.52 -1.30 121.76 128.71 1g90 s ALA 81 Ca -0.09 -0.93 0.11 0.00 0.00 0.00 0.00 51.96 51.05 1g90 s ALA 81 Cb -0.02 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 1g90 s ALA 81 CO 0.03 0.38 -0.21 -1.59 0.00 0.00 0.00 175.76 174.38 1g90 s LYS 82 N -0.16 1.64 -0.06 0.00 -2.85 0.70 -0.78 119.74 118.23 1g90 s LYS 82 Ca -0.02 -1.43 0.04 0.00 -1.00 0.00 0.00 55.97 53.56 1g90 s LYS 82 Cb -0.12 -1.94 -0.00 0.00 -2.06 0.00 0.00 37.83 33.71 1g90 s LYS 82 CO 0.02 0.42 -0.18 -0.48 0.10 0.00 0.00 175.35 175.23 1g90 s LEU 83 N -2.61 1.90 0.00 2.77 0.05 0.21 -1.25 118.68 119.76 1g90 s LEU 83 Ca 0.21 -0.39 0.00 0.00 0.05 0.00 0.00 54.13 54.00 1g90 s LEU 83 Cb -0.08 -1.04 0.00 0.00 -2.05 0.00 0.00 46.19 43.01 1g90 s LEU 83 CO 0.11 0.14 0.00 0.61 -0.55 0.00 0.00 176.35 176.65 1g90 n GLY 84 N 3.32 3.76 3.80 -3.48 0.00 0.38 -0.96 105.19 111.99 1g90 n GLY 84 Ca -0.19 -1.64 -0.07 0.00 0.00 0.00 0.00 46.02 44.12 1g90 n GLY 84 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1g90 s TYR 85 N -2.03 -0.22 -0.66 1.61 1.13 -0.16 -4.19 117.35 112.82 1g90 s TYR 85 Ca 0.00 -0.19 -0.26 0.00 -1.41 0.00 0.00 57.07 55.21 1g90 s TYR 85 Cb 0.00 0.68 -0.08 0.00 -1.10 0.00 0.00 41.96 41.46 1g90 s TYR 85 CO 0.00 -1.12 2.26 -1.25 -2.51 0.00 0.00 175.55 172.93 1g90 s PRO 86 N -3.78 2.07 0.10 -3.49 0.04 -1.26 -1.25 135.00 127.43 1g90 s PRO 86 Ca 0.10 0.76 -0.16 0.00 0.04 0.00 0.00 61.00 61.74 1g90 s PRO 86 Cb -0.05 -4.68 -0.07 0.00 0.04 0.00 0.00 34.50 29.74 1g90 s PRO 86 CO 0.04 -3.59 1.47 0.97 0.04 0.00 0.00 177.00 175.93 1g90 h ILE 87 N 7.51 1.29 -1.84 0.56 2.10 -1.48 -3.48 117.51 122.17 1g90 h ILE 87 Ca -0.12 -1.19 0.36 0.00 1.08 0.00 0.00 64.86 64.98 1g90 h ILE 87 Cb 1.13 1.44 -0.09 0.00 -1.09 0.00 0.00 36.82 38.21 1g90 h ILE 87 CO 1.13 0.38 0.91 0.28 -1.08 0.00 0.00 178.15 179.77 1g90 s THR 88 N -4.67 0.00 -1.31 2.19 -1.32 -1.26 -5.06 115.64 104.22 1g90 s THR 88 Ca -0.13 -0.14 0.00 0.00 -1.21 0.00 0.00 61.69 60.21 1g90 s THR 88 Cb 0.08 -2.65 0.00 0.00 -1.51 0.00 0.00 72.50 68.42 1g90 s THR 88 CO 0.79 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 173.67 1g90 n ASP 89 N -0.87 -4.42 -2.07 8.08 9.92 -1.26 -1.09 116.55 124.84 1g90 n ASP 89 Ca -0.00 0.16 -0.21 0.00 -0.53 0.00 0.00 54.79 54.21 1g90 n ASP 89 Cb 0.60 -3.77 -0.04 0.00 -0.64 0.00 0.00 41.12 37.27 1g90 n ASP 89 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1g90 n ASP 90 N -1.72 -5.75 -4.43 -2.24 8.00 -1.26 -4.94 116.55 104.20 1g90 n ASP 90 Ca -0.17 0.19 -0.42 0.00 0.71 0.00 0.00 54.79 55.10 1g90 n ASP 90 Cb 0.62 -4.88 -0.11 0.00 -0.02 0.00 0.00 41.12 36.73 1g90 n ASP 90 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1g90 s LEU 91 N -5.50 4.90 -0.42 0.64 1.43 -0.25 -0.65 118.68 118.84 1g90 s LEU 91 Ca 0.00 -0.90 -0.24 0.00 -1.03 0.00 0.00 54.13 51.95 1g90 s LEU 91 Cb 0.00 -2.10 0.02 0.00 0.03 0.00 0.00 46.19 44.14 1g90 s LEU 91 CO 0.00 -0.41 0.84 -0.62 0.23 0.00 0.00 176.35 176.39 1g90 s ASP 92 N 1.63 6.51 -0.10 2.29 -1.08 0.45 -1.15 116.67 125.21 1g90 s ASP 92 Ca 0.04 0.17 -0.02 0.00 -0.52 0.00 0.00 52.55 52.22 1g90 s ASP 92 Cb -0.19 -2.42 -0.03 0.00 -1.46 0.00 0.00 42.92 38.82 1g90 s ASP 92 CO 0.09 -0.89 -0.03 0.27 0.52 0.00 0.00 175.17 175.12 1g90 s ILE 93 N 3.39 4.01 0.21 4.11 -5.25 -0.38 -0.31 121.20 126.98 1g90 s ILE 93 Ca 0.33 -0.35 -0.15 0.00 -0.99 0.00 0.00 60.65 59.49 1g90 s ILE 93 Cb -0.12 -2.69 0.01 0.00 2.95 0.00 0.00 42.46 42.61 1g90 s ILE 93 CO 0.22 0.57 0.48 -0.72 -1.79 0.00 0.00 174.94 173.70 1g90 s TYR 94 N -0.51 0.10 0.11 1.37 -0.85 -0.19 -0.99 117.35 116.39 1g90 s TYR 94 Ca 0.08 -0.47 0.06 0.00 -0.52 0.00 0.00 57.07 56.22 1g90 s TYR 94 Cb -0.12 0.28 -0.04 0.00 0.38 0.00 0.00 41.96 42.47 1g90 s TYR 94 CO 0.02 -0.93 -0.14 -0.08 -1.52 0.00 0.00 175.55 172.90 1g90 s THR 95 N -3.94 1.27 0.05 -3.49 -1.32 -0.14 -0.92 115.64 107.16 1g90 s THR 95 Ca 0.14 -1.61 -0.11 0.00 -1.21 0.00 0.00 61.69 58.90 1g90 s THR 95 Cb -0.01 -1.42 0.01 0.00 -1.51 0.00 0.00 72.50 69.58 1g90 s THR 95 CO 0.02 -0.37 0.24 0.00 -2.21 0.00 0.00 174.62 172.31 1g90 s ARG 96 N -2.44 0.77 -0.02 7.08 1.04 0.13 -0.62 118.95 124.90 1g90 s ARG 96 Ca 0.06 -0.63 0.04 0.00 -1.04 0.00 0.00 55.73 54.17 1g90 s ARG 96 Cb -0.06 0.33 -0.01 0.00 -2.04 0.00 0.00 34.95 33.17 1g90 s ARG 96 CO 0.03 -0.24 -0.15 -1.17 -0.04 0.00 0.00 175.30 173.72 1g90 s LEU 97 N -2.21 1.97 0.00 -1.89 0.20 0.04 -0.71 118.68 116.07 1g90 s LEU 97 Ca -0.03 -0.29 0.00 0.00 0.69 0.00 0.00 54.13 54.49 1g90 s LEU 97 Cb -0.00 -0.83 0.00 0.00 -0.43 0.00 0.00 46.19 44.93 1g90 s LEU 97 CO -0.05 0.17 0.00 0.61 -0.29 0.00 0.00 176.35 176.79 1g90 n GLY 98 N 2.90 2.07 3.87 7.98 0.00 0.31 -0.35 105.19 121.96 1g90 n GLY 98 Ca -0.16 -0.69 0.04 0.00 0.00 0.00 0.00 46.02 45.21 1g90 n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1g90 s GLY 99 N -0.42 -0.30 0.03 -0.02 0.00 -0.20 -0.22 107.32 106.20 1g90 s GLY 99 Ca 0.00 0.40 0.07 0.00 0.00 0.00 0.00 44.72 45.19 1g90 s GLY 99 CO 0.00 4.39 -0.18 1.06 0.00 0.00 0.00 173.10 178.36 1g90 s MET 100 N -2.04 2.08 -0.39 2.90 -1.94 0.31 -1.00 119.30 119.23 1g90 s MET 100 Ca 0.26 -0.97 0.01 0.00 -1.71 0.00 0.00 55.69 53.28 1g90 s MET 100 Cb 0.02 -2.18 0.12 0.00 2.01 0.00 0.00 34.83 34.80 1g90 s MET 100 CO -0.04 0.54 0.17 0.08 -0.01 0.00 0.00 175.02 175.77 1g90 s VAL 101 N -0.90 1.34 -0.02 -6.03 1.01 -0.28 -1.90 120.40 113.63 1g90 s VAL 101 Ca 0.14 -2.17 0.04 0.00 0.00 0.00 0.00 61.98 59.99 1g90 s VAL 101 Cb -0.10 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 1g90 s VAL 101 CO 0.05 -0.79 -0.14 0.12 0.00 0.00 0.00 175.10 174.33 1g90 s PHE 102 N 0.81 1.28 -0.05 5.22 2.19 0.18 -0.91 117.98 126.69 1g90 s PHE 102 Ca 0.14 -0.27 -0.04 0.00 0.33 0.00 0.00 56.93 57.09 1g90 s PHE 102 Cb -0.22 -0.84 0.02 0.00 -1.31 0.00 0.00 43.02 40.67 1g90 s PHE 102 CO -0.09 -0.05 0.13 1.03 1.83 0.00 0.00 175.22 178.07 1g90 s ARG 103 N -0.20 0.12 0.53 10.12 3.00 0.78 -0.33 118.95 132.97 1g90 s ARG 103 Ca 0.03 0.24 -0.06 0.00 0.00 0.00 0.00 55.73 55.94 1g90 s ARG 103 Cb -0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 34.95 34.84 1g90 s ARG 103 CO -0.00 -0.07 0.84 0.00 0.00 0.00 0.00 175.30 176.07 1g90 s ALA 104 N 0.46 3.35 0.37 2.13 0.00 -1.26 -1.42 121.76 125.39 1g90 s ALA 104 Ca -0.03 -0.56 -0.21 0.00 0.00 0.00 0.00 51.96 51.16 1g90 s ALA 104 Cb -0.05 -2.62 -0.10 0.00 0.00 0.00 0.00 23.12 20.35 1g90 s ALA 104 CO -0.02 -0.54 0.89 0.34 0.00 0.00 0.00 175.76 176.43 1g90 s ASP 105 N -4.18 6.99 -0.35 0.00 2.15 -1.26 -4.44 116.67 115.57 1g90 s ASP 105 Ca 0.50 1.61 0.03 0.00 0.43 0.00 0.00 52.55 55.12 1g90 s ASP 105 Cb -0.10 -2.50 0.15 0.00 -0.30 0.00 0.00 42.92 40.17 1g90 s ASP 105 CO 0.45 -0.25 0.38 0.42 -0.17 0.00 0.00 175.17 176.00 1g90 s THR 106 N -1.99 -0.41 0.34 1.71 -4.23 -1.26 -4.93 115.64 104.87 1g90 s THR 106 Ca 0.57 -0.77 0.10 0.00 -1.18 0.00 0.00 61.69 60.41 1g90 s THR 106 Cb -0.12 -0.74 0.33 0.00 1.34 0.00 0.00 72.50 73.32 1g90 s THR 106 CO 0.16 -0.50 1.79 0.50 -0.54 0.00 0.00 174.62 176.04 1g90 h LYS 107 N 7.41 0.62 -3.45 3.99 3.11 -1.99 -3.41 116.57 122.86 1g90 h LYS 107 Ca -0.00 -0.04 -0.13 0.00 -2.81 0.00 0.00 60.65 57.67 1g90 h LYS 107 Cb 1.07 -0.14 -0.20 0.00 -1.00 0.00 0.00 32.23 31.97 1g90 h LYS 107 CO 0.23 0.41 -0.43 -1.12 -2.81 0.00 0.00 179.45 175.73 1g90 s SER 108 N -5.45 -0.01 -1.31 4.20 0.01 -1.26 -5.07 113.70 104.81 1g90 s SER 108 Ca -0.10 -0.20 -0.13 0.00 1.31 0.00 0.00 55.95 56.82 1g90 s SER 108 Cb 0.25 0.24 0.12 0.00 0.21 0.00 0.00 66.02 66.84 1g90 s SER 108 CO 0.80 -0.43 1.84 -3.20 0.41 0.00 0.00 173.24 172.65 1g90 n ASN 109 N 1.22 4.80 0.00 2.44 2.85 0.15 -4.73 115.26 121.99 1g90 n ASN 109 Ca -0.22 -2.98 0.00 0.00 -0.11 0.00 0.00 54.58 51.27 1g90 n ASN 109 Cb 0.56 -1.59 0.00 0.00 1.24 0.00 0.00 39.78 39.99 1g90 n ASN 109 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1g90 n VAL 110 N 4.61 0.00 0.11 3.44 0.24 -1.26 -0.34 118.33 125.14 1g90 n VAL 110 Ca 0.44 0.00 0.01 0.00 -2.04 0.00 0.00 64.34 62.75 1g90 n VAL 110 Cb 0.40 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.75 1g90 n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1g90 n TYR 111 N 0.00 0.00 -2.95 6.34 9.36 -1.26 -5.05 117.16 123.59 1g90 n TYR 111 Ca 0.00 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.82 1g90 n TYR 111 Cb 0.00 -0.01 -0.06 0.00 -0.63 0.00 0.00 39.34 38.64 1g90 n TYR 111 CO 0.00 0.00 0.00 0.20 0.22 0.00 0.00 176.86 177.28 1g90 s GLY 112 N -1.51 2.91 0.44 2.98 0.00 0.54 -4.97 107.32 107.72 1g90 s GLY 112 Ca 0.01 0.37 0.24 0.00 0.00 0.00 0.00 44.72 45.34 1g90 s GLY 112 CO 0.13 0.96 1.67 0.07 0.00 0.00 0.00 173.10 175.93 1g90 h LYS 113 N 4.64 0.00 -6.47 2.90 2.10 -1.97 0.46 116.57 118.24 1g90 h LYS 113 Ca -0.46 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 57.63 1g90 h LYS 113 Cb 1.21 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.49 1g90 h LYS 113 CO 0.67 0.08 1.11 1.21 -2.00 0.00 0.00 179.45 180.52 1g90 s ASN 114 N -6.14 6.21 0.99 7.07 2.47 -1.26 -4.88 114.94 119.40 1g90 s ASN 114 Ca 0.05 0.77 -0.15 0.00 0.42 0.00 0.00 52.86 53.95 1g90 s ASN 114 Cb 0.06 -2.54 -0.00 0.00 -1.45 0.00 0.00 41.25 37.32 1g90 s ASN 114 CO 0.65 -1.55 0.02 0.00 -3.72 0.00 0.00 177.10 172.50 1g90 n HIS 115 N 9.25 -2.21 -1.72 0.43 1.44 -1.26 -4.54 115.22 116.61 1g90 n HIS 115 Ca 0.17 0.18 -0.42 0.00 -2.01 0.00 0.00 57.72 55.63 1g90 n HIS 115 Cb 0.48 -1.66 -0.03 0.00 0.12 0.00 0.00 29.99 28.90 1g90 n HIS 115 CO 0.00 0.00 0.00 -3.47 -2.81 0.00 0.00 176.34 170.06 1g90 n ASP 116 N -0.19 3.83 -3.28 4.39 -0.08 -1.26 -5.00 116.55 114.95 1g90 n ASP 116 Ca 0.04 1.09 -0.08 0.00 -1.51 0.00 0.00 54.79 54.33 1g90 n ASP 116 Cb 0.56 -1.56 -0.05 0.00 2.34 0.00 0.00 41.12 42.41 1g90 n ASP 116 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 1g90 s THR 117 N 0.76 -0.66 -1.24 5.18 -1.32 -1.26 -4.78 115.64 112.32 1g90 s THR 117 Ca 0.72 -0.41 -0.12 0.00 -1.21 0.00 0.00 61.69 60.67 1g90 s THR 117 Cb -0.52 -0.66 0.17 0.00 -1.51 0.00 0.00 72.50 69.98 1g90 s THR 117 CO 0.38 -0.28 1.60 0.61 -2.21 0.00 0.00 174.62 174.72 1g90 n GLY 118 N 4.80 3.93 3.18 6.08 0.00 0.56 -3.71 105.19 120.03 1g90 n GLY 118 Ca 0.07 -2.06 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 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 1.03 3.81 -0.06 1.61 0.11 -1.26 -0.65 120.40 124.99 1g90 s VAL 119 Ca 0.41 -1.84 -0.03 0.00 -2.93 0.00 0.00 61.98 57.59 1g90 s VAL 119 Cb 0.02 -3.52 0.04 0.00 -1.53 0.00 0.00 36.38 31.39 1g90 s VAL 119 CO 0.00 -0.70 0.13 -0.94 -3.33 0.00 0.00 175.10 170.27 1g90 s SER 120 N 2.23 0.16 0.80 3.54 1.04 -0.80 -2.35 113.70 118.33 1g90 s SER 120 Ca 0.06 0.27 -0.12 0.00 0.48 0.00 0.00 55.95 56.65 1g90 s SER 120 Cb -0.24 0.17 0.07 0.00 0.10 0.00 0.00 66.02 66.12 1g90 s SER 120 CO -0.02 -0.17 1.16 -2.16 0.98 0.00 0.00 173.24 173.03 1g90 s PRO 121 N 1.48 2.03 -0.00 4.02 0.04 -1.26 -0.53 135.00 140.77 1g90 s PRO 121 Ca -0.06 0.21 0.01 0.00 0.04 0.00 0.00 61.00 61.21 1g90 s PRO 121 Cb -0.12 -1.95 -0.00 0.00 0.04 0.00 0.00 34.50 32.47 1g90 s PRO 121 CO -0.06 -1.57 -0.05 0.08 0.04 0.00 0.00 177.00 175.45 1g90 s VAL 122 N -3.50 0.38 -0.14 -0.36 1.01 0.69 -4.80 120.40 113.68 1g90 s VAL 122 Ca 0.61 -0.20 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 1g90 s VAL 122 Cb -0.12 -0.32 0.03 0.00 0.00 0.00 0.00 36.38 35.97 1g90 s VAL 122 CO 0.50 0.11 -0.09 0.72 0.00 0.00 0.00 175.10 176.34 1g90 s PHE 123 N -0.10 1.77 0.15 5.22 -0.12 -1.26 -0.53 117.98 123.11 1g90 s PHE 123 Ca 0.02 -0.99 -0.01 0.00 -0.05 0.00 0.00 56.93 55.89 1g90 s PHE 123 Cb -0.02 -1.37 -0.04 0.00 -0.63 0.00 0.00 43.02 40.96 1g90 s PHE 123 CO -0.00 -0.59 0.08 0.00 -0.05 0.00 0.00 175.22 174.65 1g90 s ALA 124 N 1.61 0.93 0.25 1.99 0.00 0.11 -4.58 121.76 122.06 1g90 s ALA 124 Ca 0.04 -1.52 0.11 0.00 0.00 0.00 0.00 51.96 50.59 1g90 s ALA 124 Cb -0.13 0.99 -0.05 0.00 0.00 0.00 0.00 23.12 23.93 1g90 s ALA 124 CO -0.09 -0.51 -0.20 0.20 0.00 0.00 0.00 175.76 175.15 1g90 s GLY 125 N -3.07 1.79 -0.05 0.00 0.00 -0.49 -0.69 107.32 104.81 1g90 s GLY 125 Ca 0.28 -1.79 -0.30 0.00 0.00 0.00 0.00 44.72 42.90 1g90 s GLY 125 CO 0.04 -1.87 1.34 -0.32 0.00 0.00 0.00 173.10 172.30 1g90 s GLY 126 N -3.27 -0.30 -0.01 0.20 0.00 -0.10 -0.51 107.32 103.33 1g90 s GLY 126 Ca 0.27 0.43 0.00 0.00 0.00 0.00 0.00 44.72 45.42 1g90 s GLY 126 CO 0.13 3.39 0.00 -1.34 0.00 0.00 0.00 173.10 175.27 1g90 s VAL 127 N -2.11 0.08 -0.36 1.40 -7.23 -0.03 -1.03 120.40 111.13 1g90 s VAL 127 Ca 0.23 0.04 -0.10 0.00 -1.81 0.00 0.00 61.98 60.35 1g90 s VAL 127 Cb 0.03 -0.13 0.03 0.00 0.56 0.00 0.00 36.38 36.87 1g90 s VAL 127 CO -0.03 0.07 0.17 -1.61 -0.31 0.00 0.00 175.10 173.39 1g90 s GLU 128 N 0.47 2.83 -0.42 4.82 0.41 0.58 -1.66 118.70 125.72 1g90 s GLU 128 Ca -0.04 -1.07 -0.19 0.00 -0.41 0.00 0.00 54.97 53.26 1g90 s GLU 128 Cb -0.06 -3.64 0.02 0.00 -1.78 0.00 0.00 34.13 28.67 1g90 s GLU 128 CO -0.01 -0.66 0.55 -0.47 -0.49 0.00 0.00 175.26 174.18 1g90 s TYR 129 N 1.52 3.12 -1.20 1.61 6.14 0.51 -0.41 117.35 128.64 1g90 s TYR 129 Ca 0.01 -0.16 -0.21 0.00 0.64 0.00 0.00 57.07 57.35 1g90 s TYR 129 Cb -0.19 -3.13 -0.02 0.00 0.42 0.00 0.00 41.96 39.04 1g90 s TYR 129 CO 0.06 -0.77 1.83 0.00 0.64 0.00 0.00 175.55 177.30 1g90 s ALA 130 N 2.51 2.41 -1.64 3.97 0.00 0.17 -1.03 121.76 128.15 1g90 s ALA 130 Ca 0.18 -2.40 0.14 0.00 0.00 0.00 0.00 51.96 49.89 1g90 s ALA 130 Cb -0.15 -4.65 0.78 0.00 0.00 0.00 0.00 23.12 19.10 1g90 s ALA 130 CO 0.16 -4.39 1.35 0.44 0.00 0.00 0.00 175.76 173.32 1g90 n ILE 131 N 7.24 0.39 -3.65 0.00 -5.35 -1.06 -4.51 119.36 112.41 1g90 n ILE 131 Ca 0.45 0.10 -0.15 0.00 -0.27 0.00 0.00 62.75 62.87 1g90 n ILE 131 Cb 0.47 -0.86 -0.07 0.00 -1.74 0.00 0.00 39.64 37.43 1g90 n ILE 131 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1g90 s THR 132 N -2.36 0.03 -1.22 7.28 2.01 -1.01 -5.01 115.64 115.35 1g90 s THR 132 Ca 0.17 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 61.94 1g90 s THR 132 Cb 0.10 -0.79 0.03 0.00 0.01 0.00 0.00 72.50 71.85 1g90 s THR 132 CO 0.20 -0.14 0.98 -0.81 -0.69 0.00 0.00 174.62 174.16 1g90 n PRO 133 N 1.15 0.02 -0.00 4.92 -0.04 -1.26 -1.26 135.00 138.53 1g90 n PRO 133 Ca -0.20 0.36 0.04 0.00 -0.04 0.00 0.00 63.50 63.66 1g90 n PRO 133 Cb 0.56 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.47 1g90 n PRO 133 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1g90 n GLU 134 N -1.39 3.07 -3.98 0.54 1.02 -1.26 -4.84 120.64 113.80 1g90 n GLU 134 Ca 0.01 -0.02 -0.10 0.00 -0.02 0.00 0.00 57.16 57.02 1g90 n GLU 134 Cb 0.02 -1.00 -0.12 0.00 -0.02 0.00 0.00 31.44 30.32 1g90 n GLU 134 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1g90 s ILE 135 N -2.05 0.16 0.09 -3.67 -5.25 -0.39 -0.22 121.20 109.87 1g90 s ILE 135 Ca 0.02 -0.75 0.00 0.00 -0.99 0.00 0.00 60.65 58.93 1g90 s ILE 135 Cb 0.07 -0.27 -0.04 0.00 2.95 0.00 0.00 42.46 45.17 1g90 s ILE 135 CO 0.37 -0.38 -0.03 0.00 -1.79 0.00 0.00 174.94 173.12 1g90 s ALA 136 N -1.15 0.84 -0.03 2.27 0.00 0.10 -2.41 121.76 121.38 1g90 s ALA 136 Ca -0.12 -1.34 0.03 0.00 0.00 0.00 0.00 51.96 50.53 1g90 s ALA 136 Cb -0.08 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.36 1g90 s ALA 136 CO -0.01 -0.32 -0.11 0.99 0.00 0.00 0.00 175.76 176.31 1g90 s THR 137 N -3.78 0.92 0.25 0.00 2.01 -0.20 -0.60 115.64 114.23 1g90 s THR 137 Ca 0.13 -0.44 0.11 0.00 0.31 0.00 0.00 61.69 61.80 1g90 s THR 137 Cb 0.07 -0.80 -0.05 0.00 0.01 0.00 0.00 72.50 71.72 1g90 s THR 137 CO -0.05 0.28 -0.18 0.00 -0.69 0.00 0.00 174.62 173.97 1g90 s ARG 138 N 0.14 1.55 0.02 4.92 1.70 0.37 -0.36 118.95 127.29 1g90 s ARG 138 Ca -0.03 -1.69 0.02 0.00 -0.47 0.00 0.00 55.73 53.57 1g90 s ARG 138 Cb -0.09 -1.56 -0.02 0.00 -0.57 0.00 0.00 34.95 32.72 1g90 s ARG 138 CO 0.01 0.29 -0.08 -0.48 -1.08 0.00 0.00 175.30 173.96 1g90 s LEU 139 N -3.38 2.14 0.15 -1.89 0.05 -0.66 -1.54 118.68 113.54 1g90 s LEU 139 Ca 0.27 -0.34 -0.15 0.00 0.05 0.00 0.00 54.13 53.96 1g90 s LEU 139 Cb -0.04 -0.28 0.02 0.00 -2.05 0.00 0.00 46.19 43.84 1g90 s LEU 139 CO 0.12 -0.05 0.39 -1.83 -0.55 0.00 0.00 176.35 174.43 1g90 s GLU 140 N -0.89 1.14 0.05 1.48 -1.05 0.37 -0.85 118.70 118.95 1g90 s GLU 140 Ca -0.03 -0.85 -0.20 0.00 -0.15 0.00 0.00 54.97 53.74 1g90 s GLU 140 Cb -0.06 0.46 0.04 0.00 -0.44 0.00 0.00 34.13 34.13 1g90 s GLU 140 CO 0.00 -0.45 0.46 1.52 0.95 0.00 0.00 175.26 177.74 1g90 s TYR 141 N -3.85 -0.33 0.07 4.83 -0.85 0.34 -0.32 117.35 117.23 1g90 s TYR 141 Ca 0.07 0.33 0.00 0.00 -0.52 0.00 0.00 57.07 56.95 1g90 s TYR 141 Cb 0.02 0.27 -0.04 0.00 0.38 0.00 0.00 41.96 42.59 1g90 s TYR 141 CO -0.08 -0.61 -0.04 -1.14 -1.52 0.00 0.00 175.55 172.16 1g90 s GLN 142 N -2.49 0.71 -0.02 -3.49 0.74 -0.69 -1.39 119.66 113.03 1g90 s GLN 142 Ca -0.05 -1.27 0.01 0.00 0.05 0.00 0.00 55.36 54.10 1g90 s GLN 142 Cb -0.01 0.03 0.01 0.00 1.10 0.00 0.00 33.01 34.15 1g90 s GLN 142 CO -0.02 -0.07 -0.02 -0.06 -0.55 0.00 0.00 175.29 174.56 1g90 s PHE 143 N -3.80 0.36 -1.56 1.67 0.08 -1.26 -0.90 117.98 112.58 1g90 s PHE 143 Ca 0.09 -0.05 -0.05 0.00 0.12 0.00 0.00 56.93 57.05 1g90 s PHE 143 Cb 0.07 -0.33 0.05 0.00 -0.57 0.00 0.00 43.02 42.23 1g90 s PHE 143 CO -0.08 -0.07 0.12 2.41 -0.10 0.00 0.00 175.22 177.50 1g90 n THR 144 N 3.56 -0.76 -1.64 0.64 -1.04 -0.75 -4.78 114.28 109.50 1g90 n THR 144 Ca -0.20 -0.38 -0.48 0.00 -2.04 0.00 0.00 64.05 60.95 1g90 n THR 144 Cb 0.54 -0.86 -0.04 0.00 -1.82 0.00 0.00 70.33 68.15 1g90 n THR 144 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1g90 n ASN 145 N -2.68 2.49 0.00 8.00 5.15 0.14 -1.18 115.26 127.18 1g90 n ASN 145 Ca -0.23 1.11 0.00 0.00 -0.60 0.00 0.00 54.58 54.86 1g90 n ASN 145 Cb 0.62 -1.35 0.00 0.00 -0.53 0.00 0.00 39.78 38.53 1g90 n ASN 145 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1g90 n ASN 146 N 2.80 -1.89 0.00 1.20 2.85 -1.26 -3.95 115.26 115.01 1g90 n ASN 146 Ca 0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.63 1g90 n ASN 146 Cb 0.26 -2.28 0.00 0.00 1.24 0.00 0.00 39.78 39.00 1g90 n ASN 146 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1g90 n ILE 147 N -1.40 0.00 0.00 -1.44 5.41 -0.33 -4.76 119.36 116.84 1g90 n ILE 147 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1g90 n ILE 147 Cb 0.16 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.09 1g90 n ILE 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1g90 n GLY 148 N 0.00 1.12 0.29 7.39 0.00 -1.25 -4.54 105.19 108.19 1g90 n GLY 148 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 1g90 n GLY 148 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1g90 h ASP 149 N 0.00 0.00 -2.77 1.61 2.03 -1.93 -3.47 116.42 111.90 1g90 h ASP 149 Ca 0.00 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.04 1g90 h ASP 149 Cb 0.00 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.45 1g90 h ASP 149 CO 0.00 0.00 -0.29 0.00 -1.03 0.00 0.00 179.24 177.92 1g90 n ALA 150 N -2.05 -0.53 -3.78 4.15 0.00 -1.26 -1.29 120.51 115.75 1g90 n ALA 150 Ca -0.01 0.15 -0.25 0.00 0.00 0.00 0.00 53.44 53.33 1g90 n ALA 150 Cb 0.19 -1.47 0.01 0.00 0.00 0.00 0.00 19.45 18.19 1g90 n ALA 150 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1g90 n HIS 151 N -2.76 -1.82 -0.03 0.00 -0.00 -1.26 -4.92 115.22 104.42 1g90 n HIS 151 Ca -0.14 0.73 -0.09 0.00 -0.00 0.00 0.00 57.72 58.21 1g90 n HIS 151 Cb 0.53 -3.95 0.07 0.00 -0.00 0.00 0.00 29.99 26.64 1g90 n HIS 151 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.34 177.49 1g90 h THR 152 N -1.84 1.30 -2.32 1.59 2.02 -1.52 -3.50 112.91 108.64 1g90 h THR 152 Ca -0.63 -1.61 0.11 0.00 0.77 0.00 0.00 66.41 65.05 1g90 h THR 152 Cb 1.36 1.56 -0.03 0.00 -1.74 0.00 0.00 68.15 69.30 1g90 h THR 152 CO 0.57 0.51 -0.15 -0.38 0.37 0.00 0.00 175.52 176.44 1g90 n ILE 153 N -4.02 0.00 0.00 3.11 2.08 -1.26 -4.88 119.36 114.38 1g90 n ILE 153 Ca -0.02 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.29 1g90 n ILE 153 Cb 0.54 -0.14 0.00 0.00 -0.75 0.00 0.00 39.64 39.29 1g90 n ILE 153 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1g90 n GLY 154 N -1.22 1.42 3.22 7.39 0.00 -1.26 -4.78 105.19 109.97 1g90 n GLY 154 Ca 0.00 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1g90 n GLY 154 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1g90 s THR 155 N 0.00 1.08 0.11 2.61 -4.23 -1.26 -5.17 115.64 108.78 1g90 s THR 155 Ca 0.00 -1.92 0.05 0.00 -1.18 0.00 0.00 61.69 58.64 1g90 s THR 155 Cb 0.00 -1.69 -0.04 0.00 1.34 0.00 0.00 72.50 72.11 1g90 s THR 155 CO 0.00 -0.69 -0.13 -0.13 -0.54 0.00 0.00 174.62 173.13 1g90 s ARG 156 N -3.44 0.95 0.41 3.99 0.52 -1.26 -4.84 118.95 115.27 1g90 s ARG 156 Ca 0.13 -1.18 0.27 0.00 -0.52 0.00 0.00 55.73 54.43 1g90 s ARG 156 Cb 0.01 -0.80 0.88 0.00 0.52 0.00 0.00 34.95 35.56 1g90 s ARG 156 CO 0.00 0.15 1.78 -1.00 0.02 0.00 0.00 175.30 176.26 1g90 h PRO 157 N 3.63 0.00 -5.41 3.54 0.13 -1.96 -3.48 132.00 128.45 1g90 h PRO 157 Ca -0.39 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.48 1g90 h PRO 157 Cb 1.19 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1g90 h PRO 157 CO 0.50 0.00 -0.67 -0.25 -0.23 0.00 0.00 178.00 177.35 1g90 n ASP 158 N -2.80 -2.92 -3.74 1.44 8.00 -1.26 -4.74 116.55 110.54 1g90 n ASP 158 Ca 0.03 -0.36 -0.40 0.00 0.71 0.00 0.00 54.79 54.77 1g90 n ASP 158 Cb 0.38 -0.91 -0.10 0.00 -0.02 0.00 0.00 41.12 40.47 1g90 n ASP 158 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1g90 n ASN 159 N -0.59 1.60 -4.24 -2.24 3.02 -1.26 -4.49 115.26 107.07 1g90 n ASN 159 Ca -0.13 -2.56 -0.34 0.00 -0.03 0.00 0.00 54.58 51.52 1g90 n ASN 159 Cb 0.40 -0.90 -0.15 0.00 -0.61 0.00 0.00 39.78 38.52 1g90 n ASN 159 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1g90 s GLY 160 N 6.59 1.54 0.24 7.41 0.00 -1.26 -0.68 107.32 121.16 1g90 s GLY 160 Ca 0.67 -1.22 0.07 0.00 0.00 0.00 0.00 44.72 44.24 1g90 s GLY 160 CO 0.25 0.39 0.19 -3.16 0.00 0.00 0.00 173.10 170.77 1g90 s MET 161 N 1.40 2.94 -0.12 2.90 0.23 -0.08 -1.82 119.30 124.75 1g90 s MET 161 Ca 0.05 -1.02 -0.01 0.00 -1.03 0.00 0.00 55.69 53.68 1g90 s MET 161 Cb -0.14 -2.58 0.04 0.00 -1.53 0.00 0.00 34.83 30.61 1g90 s MET 161 CO -0.07 0.41 -0.02 -0.51 -2.03 0.00 0.00 175.02 172.81 1g90 s LEU 162 N -3.74 1.02 0.18 0.18 1.02 -0.69 -1.71 118.68 114.95 1g90 s LEU 162 Ca 0.33 -0.37 0.06 0.00 0.02 0.00 0.00 54.13 54.16 1g90 s LEU 162 Cb -0.08 -0.65 -0.05 0.00 0.02 0.00 0.00 46.19 45.43 1g90 s LEU 162 CO 0.25 -0.19 -0.10 -0.44 0.02 0.00 0.00 176.35 175.88 1g90 s SER 163 N 1.83 2.13 0.18 2.29 0.01 0.56 -0.54 113.70 120.16 1g90 s SER 163 Ca 0.03 -1.05 -0.06 0.00 1.31 0.00 0.00 55.95 56.19 1g90 s SER 163 Cb -0.14 -0.06 -0.02 0.00 0.21 0.00 0.00 66.02 66.01 1g90 s SER 163 CO -0.07 -0.29 0.22 -1.48 0.41 0.00 0.00 173.24 172.02 1g90 s LEU 164 N -3.25 1.13 0.24 2.44 0.05 0.67 -0.48 118.68 119.47 1g90 s LEU 164 Ca 0.21 -1.09 -0.21 0.00 0.05 0.00 0.00 54.13 53.08 1g90 s LEU 164 Cb 0.02 0.85 0.06 0.00 -2.05 0.00 0.00 46.19 45.06 1g90 s LEU 164 CO 0.04 -0.87 0.91 -0.83 -0.55 0.00 0.00 176.35 175.05 1g90 s GLY 165 N -3.04 0.06 0.06 -3.48 0.00 -0.59 -0.28 107.32 100.05 1g90 s GLY 165 Ca 0.25 -0.31 0.05 0.00 0.00 0.00 0.00 44.72 44.70 1g90 s GLY 165 CO 0.05 0.72 -0.13 -1.34 0.00 0.00 0.00 173.10 172.39 1g90 s VAL 166 N -2.74 1.03 -0.13 1.40 -7.23 -0.41 -0.48 120.40 111.85 1g90 s VAL 166 Ca 0.16 -1.19 -0.04 0.00 -1.81 0.00 0.00 61.98 59.10 1g90 s VAL 166 Cb -0.03 -0.99 0.06 0.00 0.56 0.00 0.00 36.38 35.98 1g90 s VAL 166 CO 0.06 -0.19 0.23 -0.44 -0.31 0.00 0.00 175.10 174.45 1g90 s SER 167 N -1.56 0.60 -0.16 4.85 0.01 0.23 -1.20 113.70 116.46 1g90 s SER 167 Ca -0.02 0.41 -0.27 0.00 1.31 0.00 0.00 55.95 57.38 1g90 s SER 167 Cb -0.09 0.53 -0.01 0.00 0.21 0.00 0.00 66.02 66.66 1g90 s SER 167 CO 0.02 -0.25 0.91 -0.47 0.41 0.00 0.00 173.24 173.85 1g90 s TYR 168 N 2.37 3.44 -0.18 2.43 6.14 0.14 0.03 117.35 131.72 1g90 s TYR 168 Ca 0.03 1.38 -0.20 0.00 0.64 0.00 0.00 57.07 58.92 1g90 s TYR 168 Cb -0.12 -3.09 -0.03 0.00 0.42 0.00 0.00 41.96 39.13 1g90 s TYR 168 CO -0.08 -0.26 0.58 0.50 0.64 0.00 0.00 175.55 176.93 1g90 s ARG 169 N 2.21 4.24 -0.09 4.97 3.00 0.70 -1.32 118.95 132.66 1g90 s ARG 169 Ca 0.42 0.55 -0.30 0.00 -1.00 0.00 0.00 55.73 55.40 1g90 s ARG 169 Cb -0.17 -3.55 -0.08 0.00 0.00 0.00 0.00 34.95 31.16 1g90 s ARG 169 CO 0.13 -0.14 2.07 0.34 0.00 0.00 0.00 175.30 177.71 1g90 n PHE 170 N 4.70 2.25 0.00 5.12 7.35 0.48 -4.70 117.46 132.66 1g90 n PHE 170 Ca -0.03 -0.22 0.00 0.00 -0.76 0.00 0.00 57.45 56.44 1g90 n PHE 170 Cb 0.50 -2.75 0.00 0.00 0.35 0.00 0.00 39.48 37.58 1g90 n PHE 170 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1g90 n GLY 171 N 5.09 1.54 3.49 7.13 0.00 -1.26 -4.76 105.19 116.42 1g90 n GLY 171 Ca 0.25 -0.82 -0.05 0.00 0.00 0.00 0.00 46.02 45.40 1g90 n GLY 171 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g90 s GLN 172 N -2.00 0.49 -1.15 1.61 2.00 -1.26 -4.88 119.66 114.47 1g90 s GLN 172 Ca 0.00 1.23 -0.00 0.00 -2.00 0.00 0.00 55.36 54.59 1g90 s GLN 172 Cb 0.00 0.53 0.00 0.00 0.80 0.00 0.00 33.01 34.34 1g90 s GLN 172 CO 0.00 -0.21 0.06 0.41 -0.50 0.00 0.00 175.29 175.05 1g90 n GLY 173 N 5.19 -0.18 4.02 2.59 0.00 -1.26 -5.00 105.19 110.54 1g90 n GLY 173 Ca -0.13 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 1g90 n GLY 173 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1g90 s GLU 174 N -4.77 1.95 2.18 1.61 2.12 -1.26 -4.99 118.70 115.55 1g90 s GLU 174 Ca 0.03 -1.45 0.00 0.00 0.36 0.00 0.00 54.97 53.91 1g90 s GLU 174 Cb -0.01 -2.50 0.00 0.00 0.26 0.00 0.00 34.13 31.88 1g90 s GLU 174 CO 0.03 -1.19 0.00 0.00 -0.54 0.00 0.00 175.26 173.57 1g90 n ALA 175 N -2.55 0.00 -1.69 6.30 0.00 -1.26 -4.99 120.51 116.33 1g90 n ALA 175 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1g90 n ALA 175 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 1g90 n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50