#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 1.19 -0.41 0.00 0.04 -1.26 -4.62 135.00 129.94 1g90 s PRO 2 Ca 0.00 0.22 0.05 0.00 0.04 0.00 0.00 61.00 61.31 1g90 s PRO 2 Cb 0.00 -1.85 0.19 0.00 0.04 0.00 0.00 34.50 32.88 1g90 s PRO 2 CO 0.00 -2.15 0.41 1.17 0.04 0.00 0.00 177.00 176.48 1g90 n LYS 3 N -3.72 0.35 0.00 4.56 4.81 -1.26 -4.82 118.16 118.07 1g90 n LYS 3 Ca 0.07 -3.11 0.04 0.00 -0.87 0.00 0.00 58.31 54.44 1g90 n LYS 3 Cb 0.60 -1.54 0.21 0.00 0.02 0.00 0.00 35.03 34.32 1g90 n LYS 3 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1g90 n ASP 4 N 2.44 0.00 -4.02 3.14 9.92 -1.26 -4.29 116.55 122.48 1g90 n ASP 4 Ca 0.27 0.32 -0.14 0.00 -0.53 0.00 0.00 54.79 54.70 1g90 n ASP 4 Cb 0.50 -0.38 -0.13 0.00 -0.64 0.00 0.00 41.12 40.47 1g90 n ASP 4 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1g90 s ASN 5 N -2.77 0.74 -0.20 -2.24 0.02 -1.26 -1.87 114.94 107.36 1g90 s ASN 5 Ca 0.06 -0.36 -0.08 0.00 -1.02 0.00 0.00 52.86 51.46 1g90 s ASN 5 Cb 0.06 -0.00 0.09 0.00 0.02 0.00 0.00 41.25 41.41 1g90 s ASN 5 CO 0.15 -0.10 0.45 -0.89 0.02 0.00 0.00 177.10 176.73 1g90 s THR 6 N -0.87 -0.53 0.59 1.60 2.01 -0.47 -4.96 115.64 113.01 1g90 s THR 6 Ca -0.05 0.13 -0.10 0.00 0.31 0.00 0.00 61.69 61.98 1g90 s THR 6 Cb -0.07 -0.70 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 1g90 s THR 6 CO 0.00 0.05 0.98 0.86 -0.69 0.00 0.00 174.62 175.82 1g90 s TRP 7 N 2.35 3.61 0.11 4.92 -0.11 -1.26 -0.62 118.94 127.93 1g90 s TRP 7 Ca -0.04 1.18 -0.10 0.00 1.22 0.00 0.00 56.10 58.36 1g90 s TRP 7 Cb -0.11 -2.63 0.00 0.00 -1.50 0.00 0.00 33.47 29.23 1g90 s TRP 7 CO -0.14 -0.61 0.24 1.52 -4.62 0.00 0.00 176.95 173.35 1g90 s TYR 8 N -3.09 0.12 0.12 5.86 -0.85 0.94 -0.24 117.35 120.22 1g90 s TYR 8 Ca 0.53 -0.52 -0.11 0.00 -0.52 0.00 0.00 57.07 56.45 1g90 s TYR 8 Cb -0.11 0.00 0.01 0.00 0.38 0.00 0.00 41.96 42.24 1g90 s TYR 8 CO 0.52 -0.60 0.27 -0.08 -1.52 0.00 0.00 175.55 174.15 1g90 s THR 9 N -3.87 0.10 -0.28 -3.49 -1.32 -0.12 -1.08 115.64 105.60 1g90 s THR 9 Ca 0.06 -1.09 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 1g90 s THR 9 Cb 0.04 -1.44 0.00 0.00 -1.51 0.00 0.00 72.50 69.59 1g90 s THR 9 CO -0.10 -0.47 0.00 0.61 -2.21 0.00 0.00 174.62 172.45 1g90 n GLY 10 N -0.15 -0.59 3.15 6.08 0.00 -0.20 -0.00 105.19 113.48 1g90 n GLY 10 Ca -0.13 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.30 0.11 4.61 0.00 -0.63 -0.30 121.76 124.25 1g90 s ALA 11 Ca 0.00 -0.29 0.05 0.00 0.00 0.00 0.00 51.96 51.72 1g90 s ALA 11 Cb 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 1g90 s ALA 11 CO 0.00 -0.31 -0.12 0.15 0.00 0.00 0.00 175.76 175.48 1g90 s LYS 12 N -2.22 0.95 0.14 0.00 1.02 -0.09 -1.44 119.74 118.09 1g90 s LYS 12 Ca -0.08 -1.21 0.08 0.00 0.02 0.00 0.00 55.97 54.79 1g90 s LYS 12 Cb -0.03 -0.74 -0.04 0.00 -0.52 0.00 0.00 37.83 36.50 1g90 s LYS 12 CO -0.02 0.13 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.26 1g90 s LEU 13 N -2.46 2.95 0.22 3.17 2.96 0.17 -1.24 118.68 124.45 1g90 s LEU 13 Ca 0.07 -0.50 -0.10 0.00 -0.22 0.00 0.00 54.13 53.38 1g90 s LEU 13 Cb -0.04 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 1g90 s LEU 13 CO 0.02 0.14 0.38 -0.83 -1.32 0.00 0.00 176.35 174.74 1g90 s GLY 14 N -2.47 0.69 -0.02 7.98 0.00 0.39 -0.83 107.32 113.05 1g90 s GLY 14 Ca 0.22 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.91 1g90 s GLY 14 CO 0.14 -0.80 0.05 -0.12 0.00 0.00 0.00 173.10 172.37 1g90 s PHE 15 N -4.03 -0.04 -0.42 1.90 5.36 0.32 -1.11 117.98 119.95 1g90 s PHE 15 Ca 0.24 0.16 0.04 0.00 -0.96 0.00 0.00 56.93 56.42 1g90 s PHE 15 Cb 0.01 -0.05 0.17 0.00 -0.34 0.00 0.00 43.02 42.81 1g90 s PHE 15 CO 0.08 -0.05 0.39 -1.12 -1.46 0.00 0.00 175.22 173.05 1g90 s SER 16 N 0.39 1.05 0.45 6.13 0.01 0.29 -0.99 113.70 121.03 1g90 s SER 16 Ca -0.03 -2.77 -0.23 0.00 1.31 0.00 0.00 55.95 54.22 1g90 s SER 16 Cb -0.04 -0.05 -0.08 0.00 0.21 0.00 0.00 66.02 66.06 1g90 s SER 16 CO -0.01 -0.16 1.16 0.00 0.41 0.00 0.00 173.24 174.63 1g90 s GLN 17 N 0.28 3.83 -0.30 12.44 0.00 -1.26 -1.30 119.66 133.35 1g90 s GLN 17 Ca 0.31 1.76 -0.08 0.00 -0.00 0.00 0.00 55.36 57.35 1g90 s GLN 17 Cb 0.01 -2.45 0.18 0.00 0.00 0.00 0.00 33.01 30.76 1g90 s GLN 17 CO -0.16 -0.49 0.91 -0.47 0.00 0.00 0.00 175.29 175.08 1g90 s TYR 18 N -1.54 -0.88 0.12 9.60 6.14 -0.36 -4.63 117.35 125.80 1g90 s TYR 18 Ca 0.62 0.82 0.06 0.00 0.64 0.00 0.00 57.07 59.21 1g90 s TYR 18 Cb -0.28 0.27 -0.04 0.00 0.42 0.00 0.00 41.96 42.33 1g90 s TYR 18 CO 0.35 -0.49 -0.15 -3.38 0.64 0.00 0.00 175.55 172.51 1g90 s HIS 19 N 2.92 1.47 0.00 4.97 -3.43 -1.24 -2.30 115.29 117.68 1g90 s HIS 19 Ca 0.09 -0.53 0.00 0.00 -0.80 0.00 0.00 55.06 53.83 1g90 s HIS 19 Cb -0.10 -0.77 0.00 0.00 -1.43 0.00 0.00 32.58 30.28 1g90 s HIS 19 CO -0.17 0.17 0.00 -3.47 -2.00 0.00 0.00 174.74 169.27 1g90 n ASP 20 N 0.61 0.00 -3.63 7.38 -0.08 -1.26 -3.73 116.55 115.84 1g90 n ASP 20 Ca -0.16 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.83 1g90 n ASP 20 Cb 0.56 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.88 1g90 n ASP 20 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1g90 s THR 21 N 0.00 0.55 0.00 5.18 2.01 -1.26 -3.96 115.64 118.15 1g90 s THR 21 Ca 0.00 -1.43 0.00 0.00 0.31 0.00 0.00 61.69 60.57 1g90 s THR 21 Cb 0.00 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 71.09 1g90 s THR 21 CO 0.00 -0.78 0.00 0.61 -0.69 0.00 0.00 174.62 173.76 1g90 n GLY 22 N 4.64 1.14 0.00 4.40 0.00 -1.26 -5.05 105.19 109.06 1g90 n GLY 22 Ca 0.01 0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.35 1g90 n GLY 22 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1g90 n PHE 23 N 0.00 0.00 -1.64 1.61 1.16 -1.26 -5.15 117.46 112.18 1g90 n PHE 23 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1g90 n PHE 23 Cb 0.00 0.06 0.00 0.00 -1.61 0.00 0.00 39.48 37.93 1g90 n PHE 23 CO 0.00 0.00 0.00 0.44 -1.87 0.00 0.00 176.76 175.33 1g90 n ILE 24 N 0.00 -4.84 -4.22 1.97 -5.35 -1.26 -5.04 119.36 100.62 1g90 n ILE 24 Ca 0.00 2.23 -0.14 0.00 -0.27 0.00 0.00 62.75 64.57 1g90 n ILE 24 Cb 0.30 -3.09 -0.09 0.00 -1.74 0.00 0.00 39.64 35.02 1g90 n ILE 24 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1g90 s ASN 25 N -3.59 0.59 0.00 7.28 4.22 -1.25 -4.92 114.94 117.27 1g90 s ASN 25 Ca 0.00 -1.50 0.00 0.00 -2.14 0.00 0.00 52.86 49.22 1g90 s ASN 25 Cb 0.00 0.43 0.00 0.00 1.28 0.00 0.00 41.25 42.96 1g90 s ASN 25 CO 0.00 -0.91 0.00 -3.20 -2.04 0.00 0.00 177.10 170.95 1g90 n ASN 26 N -0.64 0.00 -4.71 3.54 2.85 -1.26 -0.58 115.26 114.46 1g90 n ASN 26 Ca 0.04 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.16 1g90 n ASN 26 Cb 0.65 0.00 0.10 0.00 1.24 0.00 0.00 39.78 41.77 1g90 n ASN 26 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 1g90 s ASN 27 N -1.00 3.99 0.00 1.20 2.47 -1.26 -4.73 114.94 115.61 1g90 s ASN 27 Ca 0.00 2.47 0.00 0.00 0.42 0.00 0.00 52.86 55.75 1g90 s ASN 27 Cb 0.00 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 1g90 s ASN 27 CO 0.00 -2.41 0.00 0.61 -3.72 0.00 0.00 177.10 171.58 1g90 n GLY 28 N 0.65 1.64 2.65 1.21 0.00 -1.26 -5.03 105.19 105.05 1g90 n GLY 28 Ca 0.14 0.02 -0.32 0.00 0.00 0.00 0.00 46.02 45.86 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 2.43 -1.86 1.61 -0.04 -1.26 -4.94 135.00 130.94 1g90 n PRO 29 Ca 0.00 -1.84 -0.38 0.00 -0.04 0.00 0.00 63.50 61.24 1g90 n PRO 29 Cb 0.00 -2.72 0.04 0.00 -0.04 0.00 0.00 33.50 30.77 1g90 n PRO 29 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1g90 s THR 30 N 3.42 2.26 -0.04 0.52 2.01 -1.26 -4.85 115.64 117.70 1g90 s THR 30 Ca 0.51 0.19 -0.18 0.00 0.31 0.00 0.00 61.69 62.52 1g90 s THR 30 Cb 0.13 -3.09 0.03 0.00 0.01 0.00 0.00 72.50 69.58 1g90 s THR 30 CO -0.02 -0.01 0.39 -1.38 -0.69 0.00 0.00 174.62 172.92 1g90 s HIS 31 N -1.38 -0.31 0.00 4.92 -3.43 -0.97 -1.22 115.29 112.91 1g90 s HIS 31 Ca 0.73 0.54 0.00 0.00 -0.80 0.00 0.00 55.06 55.52 1g90 s HIS 31 Cb -0.37 0.16 0.00 0.00 -1.43 0.00 0.00 32.58 30.94 1g90 s HIS 31 CO 0.43 -0.41 0.00 -1.91 -2.00 0.00 0.00 174.74 170.85 1g90 n GLU 32 N 1.41 0.00 0.13 -0.38 0.00 -1.23 -4.72 120.64 115.84 1g90 n GLU 32 Ca -0.20 0.00 -0.01 0.00 0.00 0.00 0.00 57.16 56.95 1g90 n GLU 32 Cb 0.56 -0.25 0.12 0.00 0.00 0.00 0.00 31.44 31.87 1g90 n GLU 32 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.13 176.22 1g90 h ASN 33 N 0.00 0.00 0.00 4.31 -0.26 -1.94 -3.47 115.58 114.22 1g90 h ASN 33 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1g90 h ASN 33 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 1g90 h ASN 33 CO 0.00 0.64 0.00 1.67 -1.06 0.00 0.00 177.43 178.68 1g90 n GLN 34 N -3.54 0.00 -4.10 0.81 7.27 -0.42 -4.75 117.38 112.64 1g90 n GLN 34 Ca -0.00 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.94 1g90 n GLN 34 Cb 0.69 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.28 1g90 n GLN 34 CO 0.00 0.00 0.00 -0.48 0.07 0.00 0.00 177.06 176.65 1g90 s LEU 35 N 0.00 0.91 0.07 1.69 0.05 -1.26 -0.55 118.68 119.59 1g90 s LEU 35 Ca 0.00 -1.33 -0.07 0.00 0.05 0.00 0.00 54.13 52.78 1g90 s LEU 35 Cb 0.00 1.23 -0.01 0.00 -2.05 0.00 0.00 46.19 45.36 1g90 s LEU 35 CO 0.00 -1.13 0.15 -0.83 -0.55 0.00 0.00 176.35 173.99 1g90 s GLY 36 N -3.17 0.15 -0.28 -3.48 0.00 -0.27 -4.81 107.32 95.46 1g90 s GLY 36 Ca 0.31 -0.67 -0.11 0.00 0.00 0.00 0.00 44.72 44.26 1g90 s GLY 36 CO 0.16 -0.84 0.62 0.00 0.00 0.00 0.00 173.10 173.04 1g90 s ALA 37 N -3.67 -1.88 0.21 3.20 0.00 -1.26 -0.46 121.76 117.89 1g90 s ALA 37 Ca 0.04 2.23 -0.22 0.00 0.00 0.00 0.00 51.96 54.00 1g90 s ALA 37 Cb 0.04 -1.64 0.05 0.00 0.00 0.00 0.00 23.12 21.57 1g90 s ALA 37 CO -0.10 -0.80 0.70 0.20 0.00 0.00 0.00 175.76 175.76 1g90 s GLY 38 N 2.62 -0.33 0.08 0.00 0.00 -0.37 -2.33 107.32 107.00 1g90 s GLY 38 Ca -0.06 0.10 -0.08 0.00 0.00 0.00 0.00 44.72 44.68 1g90 s GLY 38 CO -0.18 0.04 0.36 0.00 0.00 0.00 0.00 173.10 173.32 1g90 s ALA 39 N -3.77 3.77 0.11 3.20 0.00 -0.11 -0.91 121.76 124.05 1g90 s ALA 39 Ca 0.07 -0.48 0.05 0.00 0.00 0.00 0.00 51.96 51.60 1g90 s ALA 39 Cb -0.03 -2.18 -0.04 0.00 0.00 0.00 0.00 23.12 20.87 1g90 s ALA 39 CO -0.02 0.62 -0.13 -0.06 0.00 0.00 0.00 175.76 176.17 1g90 s PHE 40 N -1.46 1.31 -0.18 0.00 0.40 0.59 -0.22 117.98 118.43 1g90 s PHE 40 Ca 0.34 -0.58 -0.15 0.00 -0.60 0.00 0.00 56.93 55.95 1g90 s PHE 40 Cb -0.13 -0.69 0.05 0.00 0.51 0.00 0.00 43.02 42.76 1g90 s PHE 40 CO 0.20 0.11 0.47 0.20 0.70 0.00 0.00 175.22 176.89 1g90 s GLY 41 N -2.44 -0.36 0.08 4.36 0.00 0.02 -1.03 107.32 107.95 1g90 s GLY 41 Ca 0.08 1.43 -0.27 0.00 0.00 0.00 0.00 44.72 45.95 1g90 s GLY 41 CO 0.02 1.32 0.98 -0.32 0.00 0.00 0.00 173.10 175.11 1g90 s GLY 42 N 0.56 -0.32 0.17 0.20 0.00 -0.24 -0.26 107.32 107.43 1g90 s GLY 42 Ca -0.02 0.48 -0.01 0.00 0.00 0.00 0.00 44.72 45.17 1g90 s GLY 42 CO -0.03 0.13 0.10 -2.52 0.00 0.00 0.00 173.10 170.77 1g90 s TYR 43 N -3.12 1.04 0.15 1.90 1.13 -0.44 -0.04 117.35 117.98 1g90 s TYR 43 Ca 0.10 -1.32 0.10 0.00 -1.41 0.00 0.00 57.07 54.55 1g90 s TYR 43 Cb -0.01 -0.53 -0.04 0.00 -1.10 0.00 0.00 41.96 40.28 1g90 s TYR 43 CO -0.02 -0.58 -0.20 -0.65 -2.51 0.00 0.00 175.55 171.59 1g90 s GLN 44 N -4.11 1.68 -0.56 -3.49 -1.52 0.20 -0.29 119.66 111.57 1g90 s GLN 44 Ca 0.33 -1.31 0.01 0.00 -1.95 0.00 0.00 55.36 52.44 1g90 s GLN 44 Cb 0.07 -2.01 0.14 0.00 -0.22 0.00 0.00 33.01 30.99 1g90 s GLN 44 CO 0.08 0.45 0.33 0.54 -0.25 0.00 0.00 175.29 176.43 1g90 s VAL 45 N -1.34 3.06 0.35 1.09 0.11 0.27 -1.37 120.40 122.58 1g90 s VAL 45 Ca 0.19 -3.13 0.00 0.00 -2.93 0.00 0.00 61.98 56.11 1g90 s VAL 45 Cb -0.10 -3.06 0.00 0.00 -1.53 0.00 0.00 36.38 31.69 1g90 s VAL 45 CO 0.10 -0.82 0.00 0.59 -3.33 0.00 0.00 175.10 171.63 1g90 n ASN 46 N 3.32 -7.99 -4.09 3.54 3.02 -0.78 -3.61 115.26 108.66 1g90 n ASN 46 Ca 0.06 0.66 -0.35 0.00 -0.03 0.00 0.00 54.58 54.92 1g90 n ASN 46 Cb 0.35 -4.21 -0.07 0.00 -0.61 0.00 0.00 39.78 35.24 1g90 n ASN 46 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1g90 n PRO 47 N -4.02 1.33 0.00 3.52 -0.04 -1.26 -4.07 135.00 130.46 1g90 n PRO 47 Ca -0.00 -2.04 0.00 0.00 -0.04 0.00 0.00 63.50 61.41 1g90 n PRO 47 Cb 0.66 -3.31 0.00 0.00 -0.04 0.00 0.00 33.50 30.81 1g90 n PRO 47 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 1g90 n TYR 48 N 11.45 -0.40 -4.17 0.54 9.36 -1.25 -5.04 117.16 127.65 1g90 n TYR 48 Ca 0.47 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.58 1g90 n TYR 48 Cb 0.44 0.21 -0.10 0.00 -0.63 0.00 0.00 39.34 39.26 1g90 n TYR 48 CO 0.00 0.00 0.00 0.14 0.22 0.00 0.00 176.86 177.22 1g90 s VAL 49 N -0.42 0.12 0.00 2.97 -7.23 -1.24 -4.22 120.40 110.38 1g90 s VAL 49 Ca 0.00 -1.94 0.00 0.00 -1.81 0.00 0.00 61.98 58.23 1g90 s VAL 49 Cb 0.00 -2.16 0.00 0.00 0.56 0.00 0.00 36.38 34.78 1g90 s VAL 49 CO 0.00 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.05 1g90 n GLY 50 N -0.15 2.37 3.10 2.32 0.00 -0.13 -0.57 105.19 112.14 1g90 n GLY 50 Ca -0.04 -0.75 -0.08 0.00 0.00 0.00 0.00 46.02 45.15 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 -3.38 0.61 -0.04 1.61 0.40 0.60 -0.15 117.98 117.64 1g90 s PHE 51 Ca 0.00 -0.95 -0.02 0.00 -0.60 0.00 0.00 56.93 55.36 1g90 s PHE 51 Cb 0.00 -0.41 0.03 0.00 0.51 0.00 0.00 43.02 43.15 1g90 s PHE 51 CO 0.00 -0.28 0.06 -2.00 0.70 0.00 0.00 175.22 173.69 1g90 s GLU 52 N -3.57 -0.03 0.36 0.44 2.12 0.44 -1.32 118.70 117.13 1g90 s GLU 52 Ca 0.06 0.36 0.09 0.00 0.36 0.00 0.00 54.97 55.83 1g90 s GLU 52 Cb 0.05 -0.53 -0.06 0.00 0.26 0.00 0.00 34.13 33.84 1g90 s GLU 52 CO -0.07 -0.32 -0.04 -1.64 -0.54 0.00 0.00 175.26 172.64 1g90 s MET 53 N 2.12 1.92 0.20 4.30 -1.94 0.63 -0.45 119.30 126.08 1g90 s MET 53 Ca 0.05 -1.92 -0.23 0.00 -1.71 0.00 0.00 55.69 51.87 1g90 s MET 53 Cb -0.12 -1.75 0.06 0.00 2.01 0.00 0.00 34.83 35.03 1g90 s MET 53 CO -0.03 0.10 0.95 0.20 -0.01 0.00 0.00 175.02 176.22 1g90 s GLY 54 N -3.66 -0.06 -0.13 -0.03 0.00 -0.05 -0.80 107.32 102.58 1g90 s GLY 54 Ca 0.34 -0.13 -0.02 0.00 0.00 0.00 0.00 44.72 44.91 1g90 s GLY 54 CO 0.18 0.62 0.01 -0.19 0.00 0.00 0.00 173.10 173.71 1g90 s TYR 55 N -2.92 0.88 0.03 1.90 1.51 0.70 -0.76 117.35 118.68 1g90 s TYR 55 Ca 0.15 -0.50 -0.17 0.00 -1.01 0.00 0.00 57.07 55.54 1g90 s TYR 55 Cb -0.02 -0.93 -0.06 0.00 -0.11 0.00 0.00 41.96 40.84 1g90 s TYR 55 CO 0.04 -0.46 0.49 -0.51 -1.11 0.00 0.00 175.55 174.00 1g90 s ASP 56 N 1.91 6.93 -0.25 2.29 1.11 0.48 -0.94 116.67 128.20 1g90 s ASP 56 Ca 0.03 1.10 -0.20 0.00 0.18 0.00 0.00 52.55 53.66 1g90 s ASP 56 Cb -0.14 -2.31 0.07 0.00 1.07 0.00 0.00 42.92 41.61 1g90 s ASP 56 CO -0.07 0.29 0.66 0.72 1.18 0.00 0.00 175.17 177.95 1g90 s PHE 57 N -1.01 -0.81 -0.13 4.23 -0.12 -0.98 -0.89 117.98 118.27 1g90 s PHE 57 Ca 0.26 1.85 -0.04 0.00 -0.05 0.00 0.00 56.93 58.96 1g90 s PHE 57 Cb -0.18 0.36 0.05 0.00 -0.63 0.00 0.00 43.02 42.62 1g90 s PHE 57 CO 0.16 -0.40 0.10 -1.17 -0.05 0.00 0.00 175.22 173.86 1g90 s LEU 58 N 0.77 0.19 0.00 -1.99 2.96 0.49 -4.84 118.68 116.26 1g90 s LEU 58 Ca -0.03 -0.28 0.00 0.00 -0.22 0.00 0.00 54.13 53.59 1g90 s LEU 58 Cb -0.05 -0.09 0.00 0.00 0.50 0.00 0.00 46.19 46.55 1g90 s LEU 58 CO -0.06 -0.31 1.77 0.61 -1.32 0.00 0.00 176.35 177.04 1g90 n GLY 59 N 5.29 2.30 5.04 7.98 0.00 -1.26 -4.71 105.19 119.84 1g90 n GLY 59 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 1.46 0.00 -3.94 1.61 3.00 -1.26 -4.01 116.66 113.52 1g90 n ARG 60 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 57.85 57.54 1g90 n ARG 60 Cb 0.46 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.77 1g90 n ARG 60 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1g90 s MET 61 N 0.00 1.46 0.09 5.56 -1.94 -1.26 -4.95 119.30 118.27 1g90 s MET 61 Ca 0.00 -1.94 0.12 0.00 -1.71 0.00 0.00 55.69 52.16 1g90 s MET 61 Cb 0.00 -2.99 0.54 0.00 2.01 0.00 0.00 34.83 34.39 1g90 s MET 61 CO 0.00 -1.00 1.36 -0.35 -0.01 0.00 0.00 175.02 175.02 1g90 n PRO 62 N 4.03 0.05 0.07 2.03 -0.04 -1.26 -0.49 135.00 139.39 1g90 n PRO 62 Ca 0.04 0.44 0.21 0.00 -0.04 0.00 0.00 63.50 64.14 1g90 n PRO 62 Cb 0.39 -1.64 0.74 0.00 -0.04 0.00 0.00 33.50 32.96 1g90 n PRO 62 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1g90 h TYR 63 N 0.00 0.00 0.00 0.54 3.20 -1.91 -3.46 116.97 115.33 1g90 h TYR 63 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1g90 h TYR 63 Cb 0.13 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.40 1g90 h TYR 63 CO 0.00 0.00 0.00 1.17 -1.64 0.00 0.00 178.16 177.69 1g90 n LYS 64 N -3.82 0.00 -1.74 1.82 4.81 0.36 -4.87 118.16 114.72 1g90 n LYS 64 Ca 0.08 0.00 -0.30 0.00 -0.87 0.00 0.00 58.31 57.22 1g90 n LYS 64 Cb 0.64 -3.73 -0.07 0.00 0.02 0.00 0.00 35.03 31.89 1g90 n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1g90 n GLY 65 N -2.00 1.07 0.80 3.14 0.00 -1.26 -4.66 105.19 102.27 1g90 n GLY 65 Ca 0.00 -0.70 0.10 0.00 0.00 0.00 0.00 46.02 45.43 1g90 n GLY 65 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1g90 n SER 66 N 13.63 -4.77 -3.79 1.61 2.88 -1.26 -5.09 113.62 116.82 1g90 n SER 66 Ca 0.45 0.47 -0.11 0.00 -1.33 0.00 0.00 58.87 58.36 1g90 n SER 66 Cb 0.45 -2.52 -0.05 0.00 -0.75 0.00 0.00 64.21 61.34 1g90 n SER 66 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1g90 s VAL 67 N -2.31 0.00 0.29 2.46 -7.23 -1.26 -4.66 120.40 107.69 1g90 s VAL 67 Ca 0.00 -1.51 -0.10 0.00 -1.81 0.00 0.00 61.98 58.55 1g90 s VAL 67 Cb 0.00 -2.38 -0.07 0.00 0.56 0.00 0.00 36.38 34.49 1g90 s VAL 67 CO 0.00 0.00 0.63 -0.70 -0.31 0.00 0.00 175.10 174.72 1g90 s GLU 68 N -3.73 3.82 0.16 4.82 2.56 -1.26 -5.01 118.70 120.06 1g90 s GLU 68 Ca 0.26 0.36 -0.22 0.00 0.00 0.00 0.00 54.97 55.38 1g90 s GLU 68 Cb 0.00 -2.55 0.06 0.00 2.00 0.00 0.00 34.13 33.64 1g90 s GLU 68 CO 0.12 0.20 1.62 -0.97 -0.56 0.00 0.00 175.26 175.68 1g90 h ASN 69 N 2.12 -0.83 0.00 -1.70 -1.24 -2.00 -3.47 115.58 108.47 1g90 h ASN 69 Ca -0.47 0.16 0.00 0.00 0.71 0.00 0.00 56.30 56.69 1g90 h ASN 69 Cb 1.18 0.40 0.00 0.00 0.73 0.00 0.00 38.32 40.63 1g90 h ASN 69 CO 0.67 -0.28 0.00 0.61 -1.29 0.00 0.00 177.43 177.14 1g90 n GLY 70 N -1.39 -0.74 4.85 1.57 0.00 -1.26 -4.88 105.19 103.34 1g90 n GLY 70 Ca 0.00 -0.35 0.00 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 n ALA 71 N 0.00 0.00 -0.58 4.61 0.00 0.11 -4.87 120.51 119.78 1g90 n ALA 71 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1g90 n ALA 71 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 1g90 n ALA 71 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1g90 s TYR 72 N -0.00 1.25 -0.13 0.00 1.13 -1.26 -4.60 117.35 113.74 1g90 s TYR 72 Ca 0.00 1.08 -0.16 0.00 -1.41 0.00 0.00 57.07 56.58 1g90 s TYR 72 Cb 0.00 -3.09 -0.04 0.00 -1.10 0.00 0.00 41.96 37.72 1g90 s TYR 72 CO 0.00 -3.95 0.39 0.15 -2.51 0.00 0.00 175.55 169.62 1g90 s LYS 73 N -4.54 4.27 -0.20 -3.49 1.02 -1.26 -3.91 119.74 111.63 1g90 s LYS 73 Ca 0.68 0.28 -0.12 0.00 0.02 0.00 0.00 55.97 56.83 1g90 s LYS 73 Cb -0.24 -3.42 -0.08 0.00 -0.52 0.00 0.00 37.83 33.57 1g90 s LYS 73 CO 0.64 0.23 -0.29 0.00 -0.92 0.00 0.00 175.35 175.01 1g90 n ALA 74 N 3.50 1.45 -3.81 5.17 0.00 -1.00 -4.78 120.51 121.04 1g90 n ALA 74 Ca -0.10 -0.85 -0.06 0.00 0.00 0.00 0.00 53.44 52.44 1g90 n ALA 74 Cb 0.52 0.17 -0.02 0.00 0.00 0.00 0.00 19.45 20.12 1g90 n ALA 74 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1g90 s GLN 75 N -2.51 1.55 0.19 0.00 -2.07 -0.31 -0.38 119.66 116.13 1g90 s GLN 75 Ca -0.30 -0.85 -0.23 0.00 -1.82 0.00 0.00 55.36 52.16 1g90 s GLN 75 Cb 0.10 0.53 0.07 0.00 -1.09 0.00 0.00 33.01 32.62 1g90 s GLN 75 CO 0.39 -0.71 0.99 0.20 -1.32 0.00 0.00 175.29 174.84 1g90 s GLY 76 N -2.92 0.01 -0.04 2.60 0.00 -0.06 -0.61 107.32 106.29 1g90 s GLY 76 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 44.72 44.62 1g90 s GLY 76 CO 0.05 1.29 0.03 0.14 0.00 0.00 0.00 173.10 174.61 1g90 s VAL 77 N -2.58 0.10 0.06 1.40 1.01 0.84 -0.39 120.40 120.84 1g90 s VAL 77 Ca 0.18 0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.31 1g90 s VAL 77 Cb -0.02 -0.28 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 1g90 s VAL 77 CO 0.05 0.18 0.36 -1.10 0.00 0.00 0.00 175.10 174.59 1g90 s GLN 78 N 1.71 3.70 -0.23 2.72 1.11 0.06 -0.80 119.66 127.93 1g90 s GLN 78 Ca -0.00 0.10 -0.03 0.00 0.01 0.00 0.00 55.36 55.43 1g90 s GLN 78 Cb -0.13 -3.02 0.11 0.00 -1.01 0.00 0.00 33.01 28.96 1g90 s GLN 78 CO -0.03 0.59 0.25 -0.48 0.01 0.00 0.00 175.29 175.62 1g90 s LEU 79 N -1.87 -0.17 0.01 2.90 2.34 0.03 -0.87 118.68 121.05 1g90 s LEU 79 Ca 0.31 -0.31 0.01 0.00 0.06 0.00 0.00 54.13 54.20 1g90 s LEU 79 Cb -0.14 0.46 -0.01 0.00 -0.56 0.00 0.00 46.19 45.94 1g90 s LEU 79 CO 0.18 -0.34 -0.04 0.42 -1.06 0.00 0.00 176.35 175.51 1g90 s THR 80 N 2.35 0.26 0.39 5.48 -4.23 0.40 -0.56 115.64 119.72 1g90 s THR 80 Ca 0.08 -0.50 -0.14 0.00 -1.18 0.00 0.00 61.69 59.95 1g90 s THR 80 Cb -0.15 -0.29 -0.08 0.00 1.34 0.00 0.00 72.50 73.32 1g90 s THR 80 CO -0.17 -0.16 0.79 0.00 -0.54 0.00 0.00 174.62 174.54 1g90 s ALA 81 N -0.67 3.28 0.08 3.99 0.00 0.61 -0.42 121.76 128.64 1g90 s ALA 81 Ca -0.05 -0.03 0.02 0.00 0.00 0.00 0.00 51.96 51.90 1g90 s ALA 81 Cb -0.05 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.23 1g90 s ALA 81 CO -0.00 0.10 -0.07 -1.59 0.00 0.00 0.00 175.76 174.20 1g90 s LYS 82 N -3.51 0.75 -0.02 0.00 -2.85 0.79 -0.74 119.74 114.17 1g90 s LYS 82 Ca 0.54 -1.17 -0.01 0.00 -1.00 0.00 0.00 55.97 54.33 1g90 s LYS 82 Cb -0.10 -0.24 0.01 0.00 -2.06 0.00 0.00 37.83 35.44 1g90 s LYS 82 CO 0.25 0.00 0.04 -1.17 0.10 0.00 0.00 175.35 174.57 1g90 s LEU 83 N -2.62 1.59 0.12 2.77 2.96 0.26 -0.95 118.68 122.81 1g90 s LEU 83 Ca 0.06 0.07 -0.21 0.00 -0.22 0.00 0.00 54.13 53.83 1g90 s LEU 83 Cb 0.01 0.07 0.05 0.00 0.50 0.00 0.00 46.19 46.83 1g90 s LEU 83 CO -0.03 -0.05 0.52 -0.83 -1.32 0.00 0.00 176.35 174.63 1g90 s GLY 84 N 0.38 -0.46 -0.04 7.98 0.00 -1.26 -0.61 107.32 113.31 1g90 s GLY 84 Ca -0.03 0.34 -0.05 0.00 0.00 0.00 0.00 44.72 44.98 1g90 s GLY 84 CO -0.01 0.04 0.14 -0.19 0.00 0.00 0.00 173.10 173.07 1g90 s TYR 85 N -3.46 -0.12 0.45 1.90 2.02 -0.58 -4.57 117.35 113.00 1g90 s TYR 85 Ca 0.00 0.28 -0.24 0.00 -0.37 0.00 0.00 57.07 56.75 1g90 s TYR 85 Cb 0.00 0.03 -0.07 0.00 -0.40 0.00 0.00 41.96 41.52 1g90 s TYR 85 CO -0.10 -0.11 1.23 -1.25 -1.57 0.00 0.00 175.55 173.76 1g90 s PRO 86 N -0.17 3.75 0.00 -1.71 0.04 -1.26 -1.16 135.00 134.49 1g90 s PRO 86 Ca -0.02 1.96 0.08 0.00 0.04 0.00 0.00 61.00 63.06 1g90 s PRO 86 Cb -0.02 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 32.00 1g90 s PRO 86 CO 0.00 -0.61 0.56 0.44 0.04 0.00 0.00 177.00 177.43 1g90 n ILE 87 N -0.34 0.00 -3.64 0.56 -6.64 -0.39 -4.88 119.36 104.02 1g90 n ILE 87 Ca 0.06 -0.41 -0.08 0.00 -1.77 0.00 0.00 62.75 60.55 1g90 n ILE 87 Cb 0.46 1.09 -0.02 0.00 -1.44 0.00 0.00 39.64 39.74 1g90 n ILE 87 CO 0.00 0.00 0.00 -0.89 -1.77 0.00 0.00 176.55 173.89 1g90 s THR 88 N -1.23 0.00 -0.10 7.28 2.01 -1.22 -5.01 115.64 117.37 1g90 s THR 88 Ca 0.07 -0.45 -0.03 0.00 0.31 0.00 0.00 61.69 61.58 1g90 s THR 88 Cb 0.07 -1.51 -0.13 0.00 0.01 0.00 0.00 72.50 70.95 1g90 s THR 88 CO 0.22 0.00 2.08 -0.90 -0.69 0.00 0.00 174.62 175.33 1g90 n ASP 89 N -0.40 2.88 0.08 3.53 5.75 -1.26 -3.04 116.55 124.08 1g90 n ASP 89 Ca -0.10 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.65 1g90 n ASP 89 Cb 0.62 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 1g90 n ASP 89 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1g90 n ASP 90 N 2.93 -0.97 -3.91 -1.12 2.03 -1.26 -5.02 116.55 109.23 1g90 n ASP 90 Ca 0.24 0.30 -0.09 0.00 0.52 0.00 0.00 54.79 55.76 1g90 n ASP 90 Cb 0.43 1.09 -0.09 0.00 -0.72 0.00 0.00 41.12 41.83 1g90 n ASP 90 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1g90 s LEU 91 N -5.83 1.69 0.04 -2.67 0.05 -1.17 -0.95 118.68 109.84 1g90 s LEU 91 Ca 0.00 -0.54 0.04 0.00 0.05 0.00 0.00 54.13 53.68 1g90 s LEU 91 Cb 0.00 0.73 -0.04 0.00 -2.05 0.00 0.00 46.19 44.83 1g90 s LEU 91 CO 0.00 -0.56 -0.06 -1.81 -0.55 0.00 0.00 176.35 173.37 1g90 s ASP 92 N -2.29 4.68 0.01 1.48 1.11 0.10 -1.27 116.67 120.51 1g90 s ASP 92 Ca -0.03 -0.20 -0.18 0.00 0.18 0.00 0.00 52.55 52.33 1g90 s ASP 92 Cb 0.00 -1.07 -0.06 0.00 1.07 0.00 0.00 42.92 42.87 1g90 s ASP 92 CO -0.06 0.24 0.52 -0.63 1.18 0.00 0.00 175.17 176.42 1g90 s ILE 93 N -1.11 4.91 0.04 0.77 1.01 -0.31 -1.29 121.20 125.22 1g90 s ILE 93 Ca 0.20 1.08 0.03 0.00 0.00 0.00 0.00 60.65 61.96 1g90 s ILE 93 Cb -0.11 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.49 1g90 s ILE 93 CO 0.11 0.51 -0.09 -0.47 0.00 0.00 0.00 174.94 175.00 1g90 s TYR 94 N -0.70 0.79 -0.03 3.97 5.04 0.20 -1.52 117.35 125.10 1g90 s TYR 94 Ca 0.27 -0.39 -0.23 0.00 -2.44 0.00 0.00 57.07 54.28 1g90 s TYR 94 Cb -0.18 -0.47 0.05 0.00 0.35 0.00 0.00 41.96 41.71 1g90 s TYR 94 CO 0.16 -0.03 0.50 0.99 -1.34 0.00 0.00 175.55 175.83 1g90 s THR 95 N -1.03 0.03 0.04 4.34 2.01 0.22 -0.64 115.64 120.60 1g90 s THR 95 Ca -0.05 -0.23 -0.11 0.00 0.31 0.00 0.00 61.69 61.62 1g90 s THR 95 Cb -0.08 -0.82 0.01 0.00 0.01 0.00 0.00 72.50 71.61 1g90 s THR 95 CO 0.01 -0.13 0.22 0.00 -0.69 0.00 0.00 174.62 174.03 1g90 s ARG 96 N -1.30 0.70 0.07 4.92 1.70 0.48 -0.58 118.95 124.96 1g90 s ARG 96 Ca -0.12 -0.56 -0.17 0.00 -0.47 0.00 0.00 55.73 54.41 1g90 s ARG 96 Cb -0.02 0.30 0.03 0.00 -0.57 0.00 0.00 34.95 34.68 1g90 s ARG 96 CO 0.07 -0.21 0.39 -0.48 -1.08 0.00 0.00 175.30 173.99 1g90 s LEU 97 N -2.00 0.50 0.00 -1.89 2.34 0.08 -0.96 118.68 116.75 1g90 s LEU 97 Ca -0.06 -0.14 0.00 0.00 0.06 0.00 0.00 54.13 53.98 1g90 s LEU 97 Cb -0.02 1.70 0.00 0.00 -0.56 0.00 0.00 46.19 47.31 1g90 s LEU 97 CO -0.03 -0.72 0.00 0.61 -1.06 0.00 0.00 176.35 175.15 1g90 n GLY 98 N 0.27 -0.43 3.37 -3.48 0.00 0.20 -0.28 105.19 104.84 1g90 n GLY 98 Ca -0.18 0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 1.05 -0.10 -0.02 0.00 0.27 -0.64 107.32 107.89 1g90 s GLY 99 Ca 0.00 -1.34 -0.04 0.00 0.00 0.00 0.00 44.72 43.33 1g90 s GLY 99 CO 0.00 -1.06 0.22 -0.29 0.00 0.00 0.00 173.10 171.98 1g90 s MET 100 N -4.08 0.15 -0.04 2.90 0.00 0.07 -0.79 119.30 117.52 1g90 s MET 100 Ca 0.32 0.56 0.01 0.00 0.00 0.00 0.00 55.69 56.58 1g90 s MET 100 Cb 0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 34.83 34.70 1g90 s MET 100 CO 0.11 -0.21 -0.03 0.54 0.00 0.00 0.00 175.02 175.43 1g90 s VAL 101 N 1.64 3.95 0.02 10.11 0.11 0.02 -1.58 120.40 134.67 1g90 s VAL 101 Ca -0.05 -0.53 0.01 0.00 -2.93 0.00 0.00 61.98 58.47 1g90 s VAL 101 Cb -0.11 -2.69 -0.01 0.00 -1.53 0.00 0.00 36.38 32.03 1g90 s VAL 101 CO -0.08 0.49 -0.04 0.12 -3.33 0.00 0.00 175.10 172.27 1g90 s PHE 102 N -0.95 0.34 0.01 1.54 5.36 0.27 -0.11 117.98 124.44 1g90 s PHE 102 Ca 0.16 -0.35 -0.02 0.00 -0.96 0.00 0.00 56.93 55.76 1g90 s PHE 102 Cb -0.11 -0.22 -0.01 0.00 -0.34 0.00 0.00 43.02 42.34 1g90 s PHE 102 CO 0.05 -0.10 0.02 0.50 -1.46 0.00 0.00 175.22 174.23 1g90 s ARG 103 N -1.00 0.32 -0.01 10.12 3.52 0.22 -1.17 118.95 130.95 1g90 s ARG 103 Ca -0.09 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.04 1g90 s ARG 103 Cb -0.07 0.12 0.01 0.00 -1.56 0.00 0.00 34.95 33.45 1g90 s ARG 103 CO -0.00 -0.06 -0.00 0.00 -0.81 0.00 0.00 175.30 174.42 1g90 s ALA 104 N -1.26 0.12 -0.61 6.12 0.00 0.73 -1.16 121.76 125.70 1g90 s ALA 104 Ca -0.14 0.03 -0.27 0.00 0.00 0.00 0.00 51.96 51.58 1g90 s ALA 104 Cb -0.08 -0.09 0.01 0.00 0.00 0.00 0.00 23.12 22.96 1g90 s ALA 104 CO -0.00 -0.01 1.47 -0.51 0.00 0.00 0.00 175.76 176.71 1g90 s ASP 105 N 0.25 5.97 -0.09 0.00 1.01 -1.25 -4.73 116.67 117.83 1g90 s ASP 105 Ca -0.02 0.14 0.02 0.00 0.71 0.00 0.00 52.55 53.40 1g90 s ASP 105 Cb -0.04 -2.55 0.20 0.00 1.01 0.00 0.00 42.92 41.54 1g90 s ASP 105 CO -0.01 -1.86 1.04 1.07 0.21 0.00 0.00 175.17 175.62 1g90 n THR 106 N 6.82 1.16 -1.07 -1.27 5.66 -1.26 0.10 114.28 124.42 1g90 n THR 106 Ca 0.12 -0.44 -0.32 0.00 -3.05 0.00 0.00 64.05 60.36 1g90 n THR 106 Cb 0.50 -0.65 -0.02 0.00 -1.55 0.00 0.00 70.33 68.60 1g90 n THR 106 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1g90 n LYS 107 N 0.12 2.53 -0.00 1.09 4.81 -1.26 -4.65 118.16 120.79 1g90 n LYS 107 Ca 0.12 -1.85 0.00 0.00 -0.87 0.00 0.00 58.31 55.71 1g90 n LYS 107 Cb 0.66 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.99 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 4.75 0.00 -4.30 3.14 2.88 -1.26 -4.02 113.62 114.81 1g90 n SER 108 Ca 0.56 -0.10 -0.16 0.00 -1.33 0.00 0.00 58.87 57.84 1g90 n SER 108 Cb 0.23 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.59 1g90 n SER 108 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1g90 s ASN 109 N -1.00 2.07 0.59 -3.46 0.01 -1.26 -5.03 114.94 106.85 1g90 s ASN 109 Ca 0.00 -1.05 0.00 0.00 -0.71 0.00 0.00 52.86 51.10 1g90 s ASN 109 Cb 0.00 -0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.61 1g90 s ASN 109 CO 0.00 -0.31 0.00 0.52 -1.51 0.00 0.00 177.10 175.80 1g90 n VAL 110 N -0.30 0.00 1.38 1.60 0.31 -1.26 -2.38 118.33 117.69 1g90 n VAL 110 Ca -0.09 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.37 1g90 n VAL 110 Cb 0.61 0.00 0.71 0.00 -0.91 0.00 0.00 33.84 34.25 1g90 n VAL 110 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1g90 n TYR 111 N 0.00 0.00 -1.41 3.52 0.18 -1.26 -4.64 117.16 113.55 1g90 n TYR 111 Ca 0.00 0.00 -0.39 0.00 1.88 0.00 0.00 57.90 59.39 1g90 n TYR 111 Cb 0.00 -0.20 -0.03 0.00 -0.38 0.00 0.00 39.34 38.74 1g90 n TYR 111 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1g90 n GLY 112 N 0.86 4.36 3.67 -7.48 0.00 -1.00 -4.90 105.19 100.70 1g90 n GLY 112 Ca 0.15 -1.56 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 1g90 n GLY 112 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1g90 s LYS 113 N 1.91 2.18 0.92 1.61 -2.85 -1.26 -4.45 119.74 117.80 1g90 s LYS 113 Ca 0.67 -1.67 -0.13 0.00 -1.00 0.00 0.00 55.97 53.83 1g90 s LYS 113 Cb 0.18 -2.02 0.15 0.00 -2.06 0.00 0.00 37.83 34.07 1g90 s LYS 113 CO -0.06 0.13 1.17 0.54 0.10 0.00 0.00 175.35 177.23 1g90 s ASN 114 N -3.76 3.46 -0.17 0.03 4.22 -1.26 -5.02 114.94 112.44 1g90 s ASN 114 Ca 0.36 0.80 -0.29 0.00 -2.14 0.00 0.00 52.86 51.59 1g90 s ASN 114 Cb -0.01 -1.26 -0.04 0.00 1.28 0.00 0.00 41.25 41.22 1g90 s ASN 114 CO 0.20 -2.57 1.78 -1.00 -2.04 0.00 0.00 177.10 173.48 1g90 s HIS 115 N -3.40 1.80 0.09 1.54 3.76 -1.26 -4.92 115.29 112.90 1g90 s HIS 115 Ca 0.65 0.35 0.05 0.00 -0.15 0.00 0.00 55.06 55.96 1g90 s HIS 115 Cb -0.12 -4.01 -0.23 0.00 1.11 0.00 0.00 32.58 29.33 1g90 s HIS 115 CO 0.53 -3.63 1.19 0.38 -0.85 0.00 0.00 174.74 172.35 1g90 h ASP 116 N 11.37 0.11 -5.11 1.40 2.03 -1.95 -3.43 116.42 120.84 1g90 h ASP 116 Ca -0.38 -0.12 -0.11 0.00 -0.73 0.00 0.00 57.03 55.69 1g90 h ASP 116 Cb 1.18 -0.04 -0.16 0.00 -0.83 0.00 0.00 39.33 39.49 1g90 h ASP 116 CO 0.98 1.10 -0.43 -0.89 -1.03 0.00 0.00 179.24 178.97 1g90 s THR 117 N -2.69 0.13 0.09 1.15 2.01 -1.26 -0.19 115.64 114.88 1g90 s THR 117 Ca -0.01 -1.08 -0.17 0.00 0.31 0.00 0.00 61.69 60.75 1g90 s THR 117 Cb 0.09 -1.07 0.03 0.00 0.01 0.00 0.00 72.50 71.56 1g90 s THR 117 CO 0.84 -0.59 0.39 -0.83 -0.69 0.00 0.00 174.62 173.74 1g90 s GLY 118 N -2.37 -0.26 -0.01 4.40 0.00 -0.32 -4.94 107.32 103.82 1g90 s GLY 118 Ca -0.01 0.08 0.11 0.00 0.00 0.00 0.00 44.72 44.90 1g90 s GLY 118 CO -0.07 -0.18 1.08 1.55 0.00 0.00 0.00 173.10 175.49 1g90 n VAL 119 N 0.10 0.02 -1.36 1.40 3.14 -1.24 -0.57 118.33 119.82 1g90 n VAL 119 Ca -0.17 -0.46 -0.32 0.00 -2.96 0.00 0.00 64.34 60.42 1g90 n VAL 119 Cb 0.62 0.72 0.09 0.00 -1.06 0.00 0.00 33.84 34.21 1g90 n VAL 119 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 1g90 s SER 120 N -1.45 4.38 0.83 6.55 0.01 -0.61 -4.74 113.70 118.67 1g90 s SER 120 Ca 0.14 2.04 -0.11 0.00 1.31 0.00 0.00 55.95 59.33 1g90 s SER 120 Cb 0.17 -2.55 0.09 0.00 0.21 0.00 0.00 66.02 63.94 1g90 s SER 120 CO -0.07 -2.13 1.12 -2.16 0.41 0.00 0.00 173.24 170.41 1g90 s PRO 121 N -4.42 1.73 0.07 12.44 0.04 -1.26 -0.75 135.00 142.83 1g90 s PRO 121 Ca 0.66 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.95 1g90 s PRO 121 Cb -0.21 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.51 1g90 s PRO 121 CO 0.50 -2.07 0.24 0.54 0.04 0.00 0.00 177.00 176.25 1g90 s VAL 122 N -2.75 0.11 0.16 -0.36 0.11 0.19 -4.62 120.40 113.23 1g90 s VAL 122 Ca 0.64 -0.90 -0.08 0.00 -2.93 0.00 0.00 61.98 58.71 1g90 s VAL 122 Cb -0.20 -1.09 -0.01 0.00 -1.53 0.00 0.00 36.38 33.55 1g90 s VAL 122 CO 0.56 -0.50 0.26 0.72 -3.33 0.00 0.00 175.10 172.81 1g90 s PHE 123 N -3.13 0.44 0.17 1.54 -0.71 -1.26 -0.63 117.98 114.40 1g90 s PHE 123 Ca -0.01 -0.80 -0.19 0.00 -1.04 0.00 0.00 56.93 54.89 1g90 s PHE 123 Cb 0.01 -0.10 0.04 0.00 -1.21 0.00 0.00 43.02 41.76 1g90 s PHE 123 CO -0.07 -0.69 0.52 0.00 -1.34 0.00 0.00 175.22 173.64 1g90 s ALA 124 N -3.97 -1.14 0.21 1.99 0.00 -0.13 -4.68 121.76 114.05 1g90 s ALA 124 Ca 0.17 0.02 -0.18 0.00 0.00 0.00 0.00 51.96 51.98 1g90 s ALA 124 Cb 0.04 0.82 0.03 0.00 0.00 0.00 0.00 23.12 24.00 1g90 s ALA 124 CO -0.00 -0.76 0.56 0.20 0.00 0.00 0.00 175.76 175.75 1g90 s GLY 125 N -2.82 -0.06 0.00 0.00 0.00 -0.07 -0.39 107.32 103.98 1g90 s GLY 125 Ca 0.05 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.51 1g90 s GLY 125 CO -0.08 -0.24 0.00 0.61 0.00 0.00 0.00 173.10 173.39 1g90 n GLY 126 N -0.37 -0.61 3.10 0.20 0.00 0.19 -0.18 105.19 107.50 1g90 n GLY 126 Ca -0.08 0.20 -0.08 0.00 0.00 0.00 0.00 46.02 46.05 1g90 n GLY 126 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1g90 s VAL 127 N 0.00 0.33 0.00 1.61 -7.23 -0.02 -0.63 120.40 114.48 1g90 s VAL 127 Ca 0.00 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 58.51 1g90 s VAL 127 Cb 0.00 -1.38 -0.01 0.00 0.56 0.00 0.00 36.38 35.55 1g90 s VAL 127 CO 0.00 -0.89 -0.14 -0.70 -0.31 0.00 0.00 175.10 173.06 1g90 s GLU 128 N -3.52 1.07 -0.04 4.82 2.12 -0.41 -1.17 118.70 121.56 1g90 s GLU 128 Ca 0.05 -0.57 -0.02 0.00 0.36 0.00 0.00 54.97 54.79 1g90 s GLU 128 Cb 0.05 -1.05 0.03 0.00 0.26 0.00 0.00 34.13 33.42 1g90 s GLU 128 CO -0.07 0.28 0.08 -0.47 -0.54 0.00 0.00 175.26 174.54 1g90 s TYR 129 N -0.47 -0.03 0.29 5.30 6.14 0.11 0.02 117.35 128.70 1g90 s TYR 129 Ca 0.04 0.30 -0.29 0.00 0.64 0.00 0.00 57.07 57.76 1g90 s TYR 129 Cb -0.06 -0.27 -0.10 0.00 0.42 0.00 0.00 41.96 41.96 1g90 s TYR 129 CO -0.00 -0.15 1.11 0.00 0.64 0.00 0.00 175.55 177.14 1g90 s ALA 130 N 1.53 3.39 -0.03 3.97 0.00 -0.13 -0.50 121.76 129.98 1g90 s ALA 130 Ca -0.04 0.91 0.02 0.00 0.00 0.00 0.00 51.96 52.84 1g90 s ALA 130 Cb -0.12 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 1g90 s ALA 130 CO -0.04 -0.19 -0.01 -0.89 0.00 0.00 0.00 175.76 174.63 1g90 n ILE 131 N 1.07 0.20 -3.46 0.00 2.08 -0.31 -4.85 119.36 114.09 1g90 n ILE 131 Ca -0.01 -0.11 -0.12 0.00 0.56 0.00 0.00 62.75 63.07 1g90 n ILE 131 Cb 0.45 -0.81 -0.03 0.00 -0.75 0.00 0.00 39.64 38.50 1g90 n ILE 131 CO 0.00 0.00 0.00 -0.89 0.56 0.00 0.00 176.55 176.22 1g90 s THR 132 N -2.07 0.00 -1.55 1.39 2.01 -0.79 -4.99 115.64 109.64 1g90 s THR 132 Ca -0.03 0.00 0.00 0.00 0.31 0.00 0.00 61.69 61.97 1g90 s THR 132 Cb 0.01 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1g90 s THR 132 CO 0.11 0.00 0.58 -0.81 -0.69 0.00 0.00 174.62 173.81 1g90 n PRO 133 N -0.09 0.00 -0.00 4.92 -0.04 -1.26 -0.95 135.00 137.58 1g90 n PRO 133 Ca -0.15 0.12 0.03 0.00 -0.04 0.00 0.00 63.50 63.46 1g90 n PRO 133 Cb 0.63 -1.51 -0.04 0.00 -0.04 0.00 0.00 33.50 32.53 1g90 n PRO 133 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1g90 n GLU 134 N -1.08 4.58 -3.79 0.54 0.28 -1.26 -4.97 120.64 114.95 1g90 n GLU 134 Ca 0.00 -0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 1g90 n GLU 134 Cb 0.01 -0.84 -0.09 0.00 1.43 0.00 0.00 31.44 31.95 1g90 n GLU 134 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 1g90 s ILE 135 N -1.69 0.06 0.20 3.84 2.07 -0.13 -0.58 121.20 124.97 1g90 s ILE 135 Ca 0.03 -0.49 -0.01 0.00 -1.41 0.00 0.00 60.65 58.77 1g90 s ILE 135 Cb 0.05 -0.55 -0.04 0.00 0.13 0.00 0.00 42.46 42.05 1g90 s ILE 135 CO 0.29 -0.27 0.13 0.00 -1.91 0.00 0.00 174.94 173.19 1g90 s ALA 136 N -1.21 1.15 0.28 1.50 0.00 0.79 -1.16 121.76 123.11 1g90 s ALA 136 Ca -0.13 -1.69 0.12 0.00 0.00 0.00 0.00 51.96 50.26 1g90 s ALA 136 Cb -0.06 1.38 -0.05 0.00 0.00 0.00 0.00 23.12 24.39 1g90 s ALA 136 CO 0.03 -0.59 -0.19 0.95 0.00 0.00 0.00 175.76 175.96 1g90 s THR 137 N -4.16 2.46 0.06 0.00 -4.23 0.34 -0.20 115.64 109.91 1g90 s THR 137 Ca 0.39 -2.40 -0.03 0.00 -1.18 0.00 0.00 61.69 58.47 1g90 s THR 137 Cb 0.07 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.56 1g90 s THR 137 CO 0.12 -0.39 0.02 0.00 -0.54 0.00 0.00 174.62 173.83 1g90 s ARG 138 N -3.52 0.64 -0.06 3.99 1.70 -0.22 0.05 118.95 121.54 1g90 s ARG 138 Ca 0.30 -1.12 -0.03 0.00 -0.47 0.00 0.00 55.73 54.41 1g90 s ARG 138 Cb -0.05 0.23 0.04 0.00 -0.57 0.00 0.00 34.95 34.61 1g90 s ARG 138 CO 0.15 -0.14 0.10 -0.51 -1.08 0.00 0.00 175.30 173.82 1g90 s LEU 139 N -2.82 0.05 0.04 -1.89 1.02 -0.31 -0.84 118.68 113.94 1g90 s LEU 139 Ca 0.05 0.18 -0.06 0.00 0.02 0.00 0.00 54.13 54.32 1g90 s LEU 139 Cb 0.06 0.03 -0.01 0.00 0.02 0.00 0.00 46.19 46.29 1g90 s LEU 139 CO -0.10 -0.25 0.11 -1.83 0.02 0.00 0.00 176.35 174.30 1g90 s GLU 140 N 2.22 0.62 0.03 1.70 4.04 -0.07 -0.84 118.70 126.40 1g90 s GLU 140 Ca 0.04 -0.78 -0.03 0.00 0.04 0.00 0.00 54.97 54.25 1g90 s GLU 140 Cb -0.12 0.24 -0.02 0.00 0.02 0.00 0.00 34.13 34.26 1g90 s GLU 140 CO -0.04 -0.16 0.04 -0.47 -1.84 0.00 0.00 175.26 172.79 1g90 s TYR 141 N -2.76 0.24 -0.14 4.83 5.04 0.74 -0.40 117.35 124.90 1g90 s TYR 141 Ca -0.04 -0.52 -0.04 0.00 -2.44 0.00 0.00 57.07 54.03 1g90 s TYR 141 Cb -0.00 -0.18 0.07 0.00 0.35 0.00 0.00 41.96 42.20 1g90 s TYR 141 CO -0.05 -0.28 0.18 -1.14 -1.34 0.00 0.00 175.55 172.91 1g90 s GLN 142 N -2.11 0.10 0.16 4.97 0.74 0.01 -0.90 119.66 122.63 1g90 s GLN 142 Ca -0.09 0.36 0.06 0.00 0.05 0.00 0.00 55.36 55.73 1g90 s GLN 142 Cb -0.05 -0.81 -0.04 0.00 1.10 0.00 0.00 33.01 33.22 1g90 s GLN 142 CO -0.03 -0.48 0.08 0.12 -0.55 0.00 0.00 175.29 174.44 1g90 s PHE 143 N 2.29 3.05 0.15 1.67 5.36 -1.26 -0.75 117.98 128.49 1g90 s PHE 143 Ca 0.04 -0.05 -0.07 0.00 -0.96 0.00 0.00 56.93 55.90 1g90 s PHE 143 Cb -0.14 -1.48 -0.02 0.00 -0.34 0.00 0.00 43.02 41.04 1g90 s PHE 143 CO -0.09 0.52 0.22 -0.08 -1.46 0.00 0.00 175.22 174.34 1g90 s THR 144 N -1.69 0.08 -1.41 0.12 -1.32 -1.26 -5.01 115.64 105.14 1g90 s THR 144 Ca 0.29 -1.50 -0.15 0.00 -1.21 0.00 0.00 61.69 59.13 1g90 s THR 144 Cb -0.10 -1.86 0.02 0.00 -1.51 0.00 0.00 72.50 69.05 1g90 s THR 144 CO 0.22 -0.36 2.21 0.59 -2.21 0.00 0.00 174.62 175.07 1g90 n ASN 145 N -0.18 3.81 -4.51 8.08 4.13 -1.26 -4.83 115.26 120.50 1g90 n ASN 145 Ca -0.07 -2.83 -0.50 0.00 1.68 0.00 0.00 54.58 52.86 1g90 n ASN 145 Cb 0.63 -1.62 -0.06 0.00 -1.54 0.00 0.00 39.78 37.19 1g90 n ASN 145 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1g90 n ASN 146 N 6.18 2.42 -1.75 6.41 4.13 -1.26 -4.84 115.26 126.54 1g90 n ASN 146 Ca 0.52 0.50 -0.08 0.00 1.68 0.00 0.00 54.58 57.20 1g90 n ASN 146 Cb 0.39 -1.30 -0.03 0.00 -1.54 0.00 0.00 39.78 37.30 1g90 n ASN 146 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1g90 n ILE 147 N 6.84 2.46 0.00 2.41 5.41 -1.26 -4.90 119.36 130.32 1g90 n ILE 147 Ca 0.37 -1.11 0.00 0.00 1.00 0.00 0.00 62.75 63.01 1g90 n ILE 147 Cb 0.25 -1.58 0.00 0.00 -0.71 0.00 0.00 39.64 37.60 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 1.45 0.00 3.58 7.39 0.00 -1.24 -4.43 105.19 111.94 1g90 n GLY 148 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1g90 n GLY 148 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1g90 s ASP 149 N 0.00 5.05 0.24 1.61 -4.77 -1.25 -4.62 116.67 112.92 1g90 s ASP 149 Ca 0.00 1.51 -0.22 0.00 -3.30 0.00 0.00 52.55 50.55 1g90 s ASP 149 Cb 0.00 -2.51 0.06 0.00 -1.09 0.00 0.00 42.92 39.38 1g90 s ASP 149 CO 0.00 -2.34 0.89 0.00 0.70 0.00 0.00 175.17 174.43 1g90 s ALA 150 N 9.87 -1.36 0.14 2.11 0.00 -1.26 -3.75 121.76 127.51 1g90 s ALA 150 Ca 0.98 -0.25 -0.33 0.00 0.00 0.00 0.00 51.96 52.36 1g90 s ALA 150 Cb -0.26 0.72 -0.13 0.00 0.00 0.00 0.00 23.12 23.45 1g90 s ALA 150 CO 0.31 -1.04 1.70 1.58 0.00 0.00 0.00 175.76 178.31 1g90 n HIS 151 N -0.53 2.47 -3.41 0.00 -0.00 0.25 -3.92 115.22 110.08 1g90 n HIS 151 Ca -0.05 0.10 -0.12 0.00 -0.00 0.00 0.00 57.72 57.65 1g90 n HIS 151 Cb 0.60 -2.63 0.00 0.00 -0.00 0.00 0.00 29.99 27.96 1g90 n HIS 151 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.34 178.75 1g90 n THR 152 N 3.97 -6.93 0.00 3.57 -1.04 -1.26 -4.76 114.28 107.83 1g90 n THR 152 Ca 0.17 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1g90 n THR 152 Cb 0.32 -5.04 0.00 0.00 -1.82 0.00 0.00 70.33 63.79 1g90 n THR 152 CO 0.00 0.00 0.00 2.30 -0.64 0.00 0.00 175.07 176.73 1g90 n ILE 153 N -2.15 0.00 0.00 12.58 -5.35 -1.25 -1.08 119.36 122.11 1g90 n ILE 153 Ca -0.15 0.00 -0.12 0.00 -0.27 0.00 0.00 62.75 62.21 1g90 n ILE 153 Cb 0.59 -0.92 -0.08 0.00 -1.74 0.00 0.00 39.64 37.49 1g90 n ILE 153 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1g90 h GLY 154 N 0.00 0.06 -7.31 3.28 0.00 -1.90 -3.42 103.07 93.77 1g90 h GLY 154 Ca 0.00 -0.03 -0.49 0.00 0.00 0.00 0.00 47.33 46.81 1g90 h GLY 154 CO 0.00 0.03 1.17 -1.59 0.00 0.00 0.00 176.54 176.15 1g90 s THR 155 N -5.33 3.60 0.14 4.70 2.01 -0.24 -4.96 115.64 115.57 1g90 s THR 155 Ca -0.14 -0.07 0.04 0.00 0.31 0.00 0.00 61.69 61.83 1g90 s THR 155 Cb 0.05 -4.48 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 1g90 s THR 155 CO 0.67 -1.42 -0.10 -0.13 -0.69 0.00 0.00 174.62 172.95 1g90 s ARG 156 N 6.21 1.04 0.50 4.92 0.52 -1.26 -4.95 118.95 125.93 1g90 s ARG 156 Ca 0.54 -1.42 0.34 0.00 -0.52 0.00 0.00 55.73 54.67 1g90 s ARG 156 Cb -0.07 -0.62 1.58 0.00 0.52 0.00 0.00 34.95 36.36 1g90 s ARG 156 CO 0.08 0.08 2.01 -1.00 0.02 0.00 0.00 175.30 176.48 1g90 h PRO 157 N 2.87 0.00 -6.52 3.54 0.13 -1.98 -3.47 132.00 126.58 1g90 h PRO 157 Ca -0.37 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.25 1g90 h PRO 157 Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 1g90 h PRO 157 CO 0.62 0.00 -0.80 -3.47 -0.23 0.00 0.00 178.00 174.12 1g90 n ASP 158 N -2.83 -3.91 -3.96 1.44 2.03 -1.26 -4.94 116.55 103.12 1g90 n ASP 158 Ca -0.00 -0.90 -0.14 0.00 0.52 0.00 0.00 54.79 54.27 1g90 n ASP 158 Cb 0.19 -3.32 -0.13 0.00 -0.72 0.00 0.00 41.12 37.14 1g90 n ASP 158 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1g90 s ASN 159 N -3.35 0.46 0.99 1.67 2.47 -1.26 -5.05 114.94 110.86 1g90 s ASN 159 Ca 0.67 -0.20 -0.14 0.00 0.42 0.00 0.00 52.86 53.61 1g90 s ASN 159 Cb -0.35 -0.01 0.19 0.00 -1.45 0.00 0.00 41.25 39.63 1g90 s ASN 159 CO 0.88 -0.05 1.13 0.61 -3.72 0.00 0.00 177.10 175.95 1g90 n GLY 160 N 2.54 -1.36 3.85 1.21 0.00 -1.26 -4.86 105.19 105.31 1g90 n GLY 160 Ca -0.16 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 43.83 1g90 n GLY 160 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1g90 s MET 161 N -5.46 3.88 0.02 1.61 0.23 0.07 -4.73 119.30 114.93 1g90 s MET 161 Ca 0.64 0.87 0.00 0.00 -1.03 0.00 0.00 55.69 56.17 1g90 s MET 161 Cb -0.02 -2.16 -0.02 0.00 -1.53 0.00 0.00 34.83 31.11 1g90 s MET 161 CO 0.45 -0.29 -0.03 -1.17 -2.03 0.00 0.00 175.02 171.95 1g90 s LEU 162 N -4.20 2.23 0.11 0.18 0.20 -0.16 -0.81 118.68 116.22 1g90 s LEU 162 Ca 0.57 -0.48 0.01 0.00 0.69 0.00 0.00 54.13 54.93 1g90 s LEU 162 Cb -0.10 0.06 -0.04 0.00 -0.43 0.00 0.00 46.19 45.67 1g90 s LEU 162 CO 0.35 -0.27 -0.03 -0.94 -0.29 0.00 0.00 176.35 175.17 1g90 s SER 163 N -1.39 0.94 0.00 3.68 1.04 0.46 -0.52 113.70 117.91 1g90 s SER 163 Ca -0.14 -1.07 -0.14 0.00 0.48 0.00 0.00 55.95 55.08 1g90 s SER 163 Cb -0.09 0.14 0.02 0.00 0.10 0.00 0.00 66.02 66.19 1g90 s SER 163 CO -0.01 -0.55 0.29 -1.48 0.98 0.00 0.00 173.24 172.48 1g90 s LEU 164 N -3.05 0.93 0.25 2.42 2.34 -0.01 -0.89 118.68 120.66 1g90 s LEU 164 Ca 0.15 -0.03 -0.21 0.00 0.06 0.00 0.00 54.13 54.11 1g90 s LEU 164 Cb 0.06 1.24 0.06 0.00 -0.56 0.00 0.00 46.19 46.99 1g90 s LEU 164 CO -0.03 -0.49 0.91 -0.83 -1.06 0.00 0.00 176.35 174.85 1g90 s GLY 165 N -1.55 0.07 0.13 -3.48 0.00 -0.02 -0.65 107.32 101.82 1g90 s GLY 165 Ca -0.11 -0.34 0.06 0.00 0.00 0.00 0.00 44.72 44.34 1g90 s GLY 165 CO 0.02 0.70 -0.01 -1.34 0.00 0.00 0.00 173.10 172.47 1g90 s VAL 166 N -2.72 3.79 -0.22 1.40 -7.23 -0.52 -1.05 120.40 113.84 1g90 s VAL 166 Ca 0.16 -1.24 -0.04 0.00 -1.81 0.00 0.00 61.98 59.05 1g90 s VAL 166 Cb -0.03 -2.85 0.12 0.00 0.56 0.00 0.00 36.38 34.17 1g90 s VAL 166 CO 0.07 0.00 0.38 -0.55 -0.31 0.00 0.00 175.10 174.68 1g90 s SER 167 N -2.62 0.15 -0.01 4.85 0.15 0.73 -1.61 113.70 115.34 1g90 s SER 167 Ca 0.26 0.45 -0.09 0.00 0.70 0.00 0.00 55.95 57.27 1g90 s SER 167 Cb -0.10 1.13 -0.05 0.00 -1.71 0.00 0.00 66.02 65.28 1g90 s SER 167 CO 0.18 -0.28 0.30 -0.47 1.20 0.00 0.00 173.24 174.18 1g90 s TYR 168 N 2.55 3.62 0.35 3.44 6.14 0.99 -0.15 117.35 134.30 1g90 s TYR 168 Ca 0.08 0.72 -0.07 0.00 0.64 0.00 0.00 57.07 58.44 1g90 s TYR 168 Cb -0.14 -2.09 -0.05 0.00 0.42 0.00 0.00 41.96 40.09 1g90 s TYR 168 CO -0.14 0.63 0.65 1.03 0.64 0.00 0.00 175.55 178.36 1g90 s ARG 169 N -1.46 3.68 -0.22 4.97 0.52 0.25 -0.94 118.95 125.75 1g90 s ARG 169 Ca 0.25 0.18 -0.29 0.00 -0.52 0.00 0.00 55.73 55.35 1g90 s ARG 169 Cb -0.14 -2.53 -0.02 0.00 0.52 0.00 0.00 34.95 32.78 1g90 s ARG 169 CO 0.13 0.08 1.58 0.12 0.02 0.00 0.00 175.30 177.23 1g90 s PHE 170 N -2.25 2.18 0.74 -0.53 5.36 0.67 -4.90 117.98 119.25 1g90 s PHE 170 Ca 0.47 0.58 -0.03 0.00 -0.96 0.00 0.00 56.93 56.99 1g90 s PHE 170 Cb -0.10 -3.96 0.13 0.00 -0.34 0.00 0.00 43.02 38.74 1g90 s PHE 170 CO 0.32 -2.81 1.03 0.20 -1.46 0.00 0.00 175.22 172.49 1g90 s GLY 171 N 4.00 1.76 0.43 13.12 0.00 -1.26 -4.79 107.32 120.57 1g90 s GLY 171 Ca 0.69 -1.60 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1g90 s GLY 171 CO 0.28 -1.03 0.00 -0.18 0.00 0.00 0.00 173.10 172.17 1g90 n GLN 172 N -2.94 -2.66 -3.73 2.90 7.27 -1.26 -4.94 117.38 112.03 1g90 n GLN 172 Ca 0.14 2.02 -0.23 0.00 0.07 0.00 0.00 57.00 59.00 1g90 n GLN 172 Cb 0.60 -3.16 0.04 0.00 2.41 0.00 0.00 30.24 30.13 1g90 n GLN 172 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1g90 n GLY 173 N -4.01 -0.35 3.19 1.69 0.00 -1.26 -4.98 105.19 99.47 1g90 n GLY 173 Ca -0.04 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 -6.11 0.65 0.14 1.61 2.12 -1.26 -4.96 118.70 110.90 1g90 s GLU 174 Ca 0.18 -0.40 -0.05 0.00 0.36 0.00 0.00 54.97 55.05 1g90 s GLU 174 Cb -0.09 0.28 0.02 0.00 0.26 0.00 0.00 34.13 34.60 1g90 s GLU 174 CO 0.81 -0.18 0.29 0.00 -0.54 0.00 0.00 175.26 175.64 1g90 n ALA 175 N 1.06 -0.66 -0.83 6.30 0.00 -1.26 -5.18 120.51 119.94 1g90 n ALA 175 Ca -0.21 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.77 1g90 n ALA 175 Cb 0.57 0.37 0.00 0.00 0.00 0.00 0.00 19.45 20.39 1g90 n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50