#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g90 n PRO 2 N 0.00 2.16 -0.74 0.00 -0.04 -1.26 -4.41 135.00 130.71 1g90 n PRO 2 Ca 0.00 -2.07 0.06 0.00 -0.04 0.00 0.00 63.50 61.45 1g90 n PRO 2 Cb 0.00 -2.97 0.18 0.00 -0.04 0.00 0.00 33.50 30.67 1g90 n PRO 2 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1g90 n LYS 3 N 6.13 1.33 -0.28 0.54 4.81 -1.26 -4.86 118.16 124.57 1g90 n LYS 3 Ca 0.52 -3.08 0.01 0.00 -0.87 0.00 0.00 58.31 54.88 1g90 n LYS 3 Cb 0.35 -1.36 0.08 0.00 0.02 0.00 0.00 35.03 34.12 1g90 n LYS 3 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1g90 h ASP 4 N 0.98 -0.89 -3.40 3.14 5.19 -1.95 -3.22 116.42 116.27 1g90 h ASP 4 Ca -0.04 0.25 -0.57 0.00 -0.62 0.00 0.00 57.03 56.05 1g90 h ASP 4 Cb 1.15 0.54 -0.06 0.00 0.18 0.00 0.00 39.33 41.13 1g90 h ASP 4 CO 0.02 -0.28 0.97 0.21 -3.12 0.00 0.00 179.24 177.04 1g90 s ASN 5 N -5.24 6.60 -0.07 6.45 3.04 -1.26 -0.41 114.94 124.04 1g90 s ASN 5 Ca -0.14 0.82 0.01 0.00 0.04 0.00 0.00 52.86 53.59 1g90 s ASN 5 Cb 0.21 -2.54 0.02 0.00 -1.54 0.00 0.00 41.25 37.40 1g90 s ASN 5 CO 0.74 -1.22 -0.09 -0.89 -3.04 0.00 0.00 177.10 172.60 1g90 s THR 6 N 4.62 0.97 0.53 -5.21 2.01 -0.57 -4.99 115.64 112.99 1g90 s THR 6 Ca 0.53 -0.34 -0.11 0.00 0.31 0.00 0.00 61.69 62.08 1g90 s THR 6 Cb -0.12 -0.93 -0.05 0.00 0.01 0.00 0.00 72.50 71.41 1g90 s THR 6 CO 0.28 0.33 0.92 0.86 -0.69 0.00 0.00 174.62 176.32 1g90 s TRP 7 N 1.02 3.55 0.17 4.92 -0.11 -1.26 -0.70 118.94 126.53 1g90 s TRP 7 Ca -0.08 1.18 -0.13 0.00 1.22 0.00 0.00 56.10 58.29 1g90 s TRP 7 Cb -0.15 -2.60 0.01 0.00 -1.50 0.00 0.00 33.47 29.24 1g90 s TRP 7 CO -0.00 -0.43 0.40 1.52 -4.62 0.00 0.00 176.95 173.81 1g90 s TYR 8 N -2.83 0.11 0.26 5.86 -0.85 0.70 -0.53 117.35 120.07 1g90 s TYR 8 Ca 0.54 -0.47 0.03 0.00 -0.52 0.00 0.00 57.07 56.65 1g90 s TYR 8 Cb -0.10 0.17 -0.05 0.00 0.38 0.00 0.00 41.96 42.35 1g90 s TYR 8 CO 0.43 -0.81 0.03 -0.08 -1.52 0.00 0.00 175.55 173.61 1g90 s THR 9 N -3.91 0.99 0.24 -3.49 -1.32 0.24 -0.45 115.64 107.93 1g90 s THR 9 Ca 0.12 -2.02 -0.21 0.00 -1.21 0.00 0.00 61.69 58.37 1g90 s THR 9 Cb 0.01 -2.50 0.06 0.00 -1.51 0.00 0.00 72.50 68.56 1g90 s THR 9 CO -0.02 -0.19 0.92 -0.83 -2.21 0.00 0.00 174.62 172.29 1g90 s GLY 10 N -3.35 0.06 -0.02 6.08 0.00 -0.12 -0.53 107.32 109.44 1g90 s GLY 10 Ca 0.32 -0.31 -0.09 0.00 0.00 0.00 0.00 44.72 44.64 1g90 s GLY 10 CO 0.11 0.78 0.20 0.00 0.00 0.00 0.00 173.10 174.19 1g90 s ALA 11 N -2.71 -0.50 0.20 3.20 0.00 -0.49 -0.35 121.76 121.12 1g90 s ALA 11 Ca 0.16 0.15 0.03 0.00 0.00 0.00 0.00 51.96 52.30 1g90 s ALA 11 Cb -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 23.12 23.04 1g90 s ALA 11 CO 0.06 -0.20 -0.01 0.15 0.00 0.00 0.00 175.76 175.76 1g90 s LYS 12 N -1.06 1.23 0.13 0.00 1.02 0.27 -0.98 119.74 120.36 1g90 s LYS 12 Ca -0.11 -1.61 0.11 0.00 0.02 0.00 0.00 55.97 54.38 1g90 s LYS 12 Cb -0.06 -0.48 -0.04 0.00 -0.52 0.00 0.00 37.83 36.74 1g90 s LYS 12 CO 0.02 -0.10 -0.27 -1.17 -0.92 0.00 0.00 175.35 172.91 1g90 s LEU 13 N -3.25 2.32 0.15 3.17 2.96 0.41 -0.76 118.68 123.68 1g90 s LEU 13 Ca 0.26 -0.75 -0.10 0.00 -0.22 0.00 0.00 54.13 53.32 1g90 s LEU 13 Cb 0.06 -1.21 0.00 0.00 0.50 0.00 0.00 46.19 45.54 1g90 s LEU 13 CO 0.06 0.17 0.30 -0.83 -1.32 0.00 0.00 176.35 174.74 1g90 s GLY 14 N -2.07 0.28 -0.05 7.98 0.00 0.43 -0.83 107.32 113.05 1g90 s GLY 14 Ca 0.14 -0.69 -0.04 0.00 0.00 0.00 0.00 44.72 44.13 1g90 s GLY 14 CO 0.06 -0.73 0.13 -0.12 0.00 0.00 0.00 173.10 172.45 1g90 s PHE 15 N -3.92 -0.15 -0.39 1.90 5.36 0.33 -1.29 117.98 119.81 1g90 s PHE 15 Ca 0.13 0.39 0.03 0.00 -0.96 0.00 0.00 56.93 56.51 1g90 s PHE 15 Cb 0.03 0.01 0.16 0.00 -0.34 0.00 0.00 43.02 42.87 1g90 s PHE 15 CO -0.04 -0.10 0.32 -1.12 -1.46 0.00 0.00 175.22 172.82 1g90 s SER 16 N 0.42 1.78 0.33 6.13 0.01 0.51 -0.93 113.70 121.94 1g90 s SER 16 Ca -0.03 -2.48 -0.28 0.00 1.31 0.00 0.00 55.95 54.48 1g90 s SER 16 Cb -0.04 -0.16 -0.09 0.00 0.21 0.00 0.00 66.02 65.94 1g90 s SER 16 CO -0.02 -0.23 1.17 0.00 0.41 0.00 0.00 173.24 174.57 1g90 s GLN 17 N 0.66 4.41 -0.30 12.44 0.00 -1.26 -1.30 119.66 134.31 1g90 s GLN 17 Ca 0.25 1.90 -0.06 0.00 -0.00 0.00 0.00 55.36 57.46 1g90 s GLN 17 Cb -0.09 -3.01 0.19 0.00 0.00 0.00 0.00 33.01 30.11 1g90 s GLN 17 CO -0.09 -0.03 0.88 -0.47 0.00 0.00 0.00 175.29 175.58 1g90 s TYR 18 N -1.24 -0.98 0.11 9.60 6.14 -0.01 -4.55 117.35 126.42 1g90 s TYR 18 Ca 0.49 0.65 0.07 0.00 0.64 0.00 0.00 57.07 58.92 1g90 s TYR 18 Cb -0.33 0.20 -0.04 0.00 0.42 0.00 0.00 41.96 42.21 1g90 s TYR 18 CO 0.43 -0.56 -0.09 -3.38 0.64 0.00 0.00 175.55 172.59 1g90 s HIS 19 N 2.91 2.76 0.00 4.97 -3.43 -1.21 -2.62 115.29 118.67 1g90 s HIS 19 Ca 0.18 -0.15 0.00 0.00 -0.80 0.00 0.00 55.06 54.29 1g90 s HIS 19 Cb -0.06 -1.43 0.00 0.00 -1.43 0.00 0.00 32.58 29.66 1g90 s HIS 19 CO -0.22 0.44 0.00 -3.47 -2.00 0.00 0.00 174.74 169.49 1g90 n ASP 20 N 0.60 0.00 -3.81 7.38 -0.08 -1.26 -4.02 116.55 115.36 1g90 n ASP 20 Ca -0.13 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.85 1g90 n ASP 20 Cb 0.53 0.00 -0.15 0.00 2.34 0.00 0.00 41.12 43.83 1g90 n ASP 20 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1g90 s THR 21 N -0.27 1.17 0.00 5.18 -4.23 -1.26 -4.69 115.64 111.54 1g90 s THR 21 Ca 0.00 -1.46 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1g90 s THR 21 Cb 0.00 -1.80 0.00 0.00 1.34 0.00 0.00 72.50 72.04 1g90 s THR 21 CO 0.00 -0.55 0.00 0.61 -0.54 0.00 0.00 174.62 174.14 1g90 n GLY 22 N 4.74 2.36 0.00 3.99 0.00 -1.26 -4.82 105.19 110.20 1g90 n GLY 22 Ca -0.03 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.90 1.61 -1.74 -1.26 -5.12 117.46 109.05 1g90 n PHE 23 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.89 1g90 n PHE 23 Cb 0.00 0.06 0.00 0.00 1.52 0.00 0.00 39.48 41.06 1g90 n PHE 23 CO 0.00 0.00 0.00 0.44 -0.56 0.00 0.00 176.76 176.64 1g90 n ILE 24 N 0.00 -5.54 -4.24 1.97 -5.35 -1.26 -5.03 119.36 99.92 1g90 n ILE 24 Ca 0.00 2.57 -0.14 0.00 -0.27 0.00 0.00 62.75 64.91 1g90 n ILE 24 Cb 0.35 -3.33 -0.10 0.00 -1.74 0.00 0.00 39.64 34.83 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 -2.11 0.52 0.00 7.28 4.22 -1.25 -4.89 114.94 118.71 1g90 s ASN 25 Ca 0.00 -1.41 0.00 0.00 -2.14 0.00 0.00 52.86 49.31 1g90 s ASN 25 Cb 0.00 0.33 0.00 0.00 1.28 0.00 0.00 41.25 42.86 1g90 s ASN 25 CO 0.00 -0.82 0.00 -3.20 -2.04 0.00 0.00 177.10 171.04 1g90 n ASN 26 N -0.39 0.00 -4.71 3.54 2.85 -1.26 -0.40 115.26 114.89 1g90 n ASN 26 Ca 0.02 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.14 1g90 n ASN 26 Cb 0.66 0.00 0.11 0.00 1.24 0.00 0.00 39.78 41.79 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 3.92 0.00 1.20 2.47 -1.26 -4.78 114.94 115.49 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 -2.46 0.00 0.61 -3.72 0.00 0.00 177.10 171.53 1g90 n GLY 28 N 0.67 2.13 2.74 1.21 0.00 -1.26 -5.02 105.19 105.66 1g90 n GLY 28 Ca 0.14 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 2.30 -1.75 1.61 -0.04 -1.26 -4.94 135.00 130.92 1g90 n PRO 29 Ca 0.00 -1.92 -0.38 0.00 -0.04 0.00 0.00 63.50 61.15 1g90 n PRO 29 Cb 0.00 -2.82 0.04 0.00 -0.04 0.00 0.00 33.50 30.69 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 3.68 2.01 -0.12 0.52 2.01 -1.26 -4.81 115.64 117.67 1g90 s THR 30 Ca 0.52 0.01 -0.14 0.00 0.31 0.00 0.00 61.69 62.39 1g90 s THR 30 Cb 0.14 -3.00 0.04 0.00 0.01 0.00 0.00 72.50 69.68 1g90 s THR 30 CO -0.00 -0.00 0.37 -1.38 -0.69 0.00 0.00 174.62 172.92 1g90 s HIS 31 N -1.29 -0.38 0.00 4.92 -3.43 -1.08 -0.83 115.29 113.20 1g90 s HIS 31 Ca 0.72 0.90 0.00 0.00 -0.80 0.00 0.00 55.06 55.88 1g90 s HIS 31 Cb -0.41 0.14 0.00 0.00 -1.43 0.00 0.00 32.58 30.88 1g90 s HIS 31 CO 0.48 -0.24 0.00 -1.91 -2.00 0.00 0.00 174.74 171.08 1g90 n GLU 32 N 2.59 0.00 0.10 -0.38 0.00 -1.14 -4.68 120.64 117.14 1g90 n GLU 32 Ca -0.15 0.18 -0.02 0.00 0.00 0.00 0.00 57.16 57.18 1g90 n GLU 32 Cb 0.57 -0.61 -0.01 0.00 0.00 0.00 0.00 31.44 31.39 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 -1.92 -3.48 115.58 114.23 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 0.74 0.00 1.67 -1.06 0.00 0.00 177.43 178.78 1g90 n GLN 34 N -3.35 0.00 -3.86 0.81 7.27 -0.42 -4.74 117.38 113.10 1g90 n GLN 34 Ca 0.01 0.00 -0.07 0.00 0.07 0.00 0.00 57.00 57.00 1g90 n GLN 34 Cb 0.81 0.00 -0.02 0.00 2.41 0.00 0.00 30.24 33.43 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 -0.20 0.00 1.69 0.05 -1.26 -0.36 118.68 118.59 1g90 s LEU 35 Ca 0.00 -0.62 -0.19 0.00 0.05 0.00 0.00 54.13 53.38 1g90 s LEU 35 Cb 0.00 2.61 0.06 0.00 -2.05 0.00 0.00 46.19 46.81 1g90 s LEU 35 CO 0.00 -1.31 0.84 0.61 -0.55 0.00 0.00 176.35 175.95 1g90 n GLY 36 N -0.45 0.43 3.27 -3.48 0.00 -0.41 -4.66 105.19 99.88 1g90 n GLY 36 Ca -0.04 -0.99 -0.15 0.00 0.00 0.00 0.00 46.02 44.83 1g90 n GLY 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g90 s ALA 37 N -1.69 1.55 0.23 4.61 0.00 0.48 -0.43 121.76 126.51 1g90 s ALA 37 Ca 0.20 -1.79 -0.22 0.00 0.00 0.00 0.00 51.96 50.14 1g90 s ALA 37 Cb -0.01 1.27 0.04 0.00 0.00 0.00 0.00 23.12 24.42 1g90 s ALA 37 CO 0.00 -0.55 0.82 0.20 0.00 0.00 0.00 175.76 176.23 1g90 s GLY 38 N -3.27 -0.14 -0.04 0.00 0.00 0.06 -0.44 107.32 103.50 1g90 s GLY 38 Ca 0.38 -0.15 -0.03 0.00 0.00 0.00 0.00 44.72 44.92 1g90 s GLY 38 CO 0.15 -0.04 0.09 0.00 0.00 0.00 0.00 173.10 173.30 1g90 s ALA 39 N -3.64 -0.20 0.03 3.20 0.00 -0.38 -0.56 121.76 120.20 1g90 s ALA 39 Ca 0.12 0.33 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1g90 s ALA 39 Cb -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 1g90 s ALA 39 CO 0.05 -0.07 -0.03 -0.06 0.00 0.00 0.00 175.76 175.65 1g90 s PHE 40 N 0.32 0.35 0.23 0.00 0.40 0.53 -0.73 117.98 119.08 1g90 s PHE 40 Ca -0.02 -0.62 0.11 0.00 -0.60 0.00 0.00 56.93 55.79 1g90 s PHE 40 Cb -0.03 -0.25 -0.05 0.00 0.51 0.00 0.00 43.02 43.20 1g90 s PHE 40 CO -0.01 -0.21 -0.20 0.20 0.70 0.00 0.00 175.22 175.70 1g90 s GLY 41 N -1.74 1.71 0.07 4.36 0.00 0.42 -0.95 107.32 111.19 1g90 s GLY 41 Ca -0.11 -1.73 -0.27 0.00 0.00 0.00 0.00 44.72 42.60 1g90 s GLY 41 CO -0.02 -1.80 1.00 -0.32 0.00 0.00 0.00 173.10 171.96 1g90 s GLY 42 N -3.16 -0.32 0.14 0.20 0.00 0.40 -0.13 107.32 104.45 1g90 s GLY 42 Ca 0.25 0.52 -0.01 0.00 0.00 0.00 0.00 44.72 45.47 1g90 s GLY 42 CO 0.11 0.13 0.07 -2.52 0.00 0.00 0.00 173.10 170.90 1g90 s TYR 43 N -3.07 0.87 0.31 1.90 -0.85 -0.52 -0.21 117.35 115.79 1g90 s TYR 43 Ca 0.11 -1.23 0.10 0.00 -0.52 0.00 0.00 57.07 55.52 1g90 s TYR 43 Cb -0.00 -0.47 -0.05 0.00 0.38 0.00 0.00 41.96 41.82 1g90 s TYR 43 CO -0.02 -0.54 -0.01 -0.65 -1.52 0.00 0.00 175.55 172.81 1g90 s GLN 44 N -4.06 2.12 -0.44 -3.49 -1.52 0.12 -0.20 119.66 112.20 1g90 s GLN 44 Ca 0.25 -1.62 0.02 0.00 -1.95 0.00 0.00 55.36 52.06 1g90 s GLN 44 Cb 0.07 -2.01 0.13 0.00 -0.22 0.00 0.00 33.01 30.98 1g90 s GLN 44 CO 0.03 0.23 0.21 0.54 -0.25 0.00 0.00 175.29 176.05 1g90 s VAL 45 N -2.45 1.73 0.34 1.09 0.11 0.21 -1.51 120.40 119.92 1g90 s VAL 45 Ca 0.33 -2.61 0.00 0.00 -2.93 0.00 0.00 61.98 56.78 1g90 s VAL 45 Cb -0.03 -2.22 0.00 0.00 -1.53 0.00 0.00 36.38 32.60 1g90 s VAL 45 CO 0.19 -0.82 0.00 0.59 -3.33 0.00 0.00 175.10 171.73 1g90 n ASN 46 N 3.64 -7.59 -4.02 3.54 3.02 0.45 -3.66 115.26 110.63 1g90 n ASN 46 Ca 0.06 0.64 -0.35 0.00 -0.03 0.00 0.00 54.58 54.90 1g90 n ASN 46 Cb 0.35 -4.05 -0.08 0.00 -0.61 0.00 0.00 39.78 35.39 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 -3.87 1.06 0.00 3.52 -0.04 -1.26 -4.03 135.00 130.38 1g90 n PRO 47 Ca -0.01 -1.86 0.00 0.00 -0.04 0.00 0.00 63.50 61.59 1g90 n PRO 47 Cb 0.65 -3.23 0.00 0.00 -0.04 0.00 0.00 33.50 30.89 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 11.56 -0.35 -4.11 0.54 9.36 -1.25 -5.02 117.16 127.89 1g90 n TYR 48 Ca 0.47 0.00 -0.10 0.00 3.32 0.00 0.00 57.90 61.59 1g90 n TYR 48 Cb 0.43 0.35 -0.09 0.00 -0.63 0.00 0.00 39.34 39.40 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 -0.70 0.08 0.00 2.97 -7.23 -1.24 -4.48 120.40 109.79 1g90 s VAL 49 Ca 0.00 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 1g90 s VAL 49 Cb 0.00 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.87 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 2.20 3.12 2.32 0.00 -0.42 -0.62 105.19 111.64 1g90 n GLY 50 Ca -0.05 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.04 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 -5.24 0.72 -0.15 1.61 0.40 0.72 -0.19 117.98 115.84 1g90 s PHE 51 Ca 0.00 -1.16 -0.07 0.00 -0.60 0.00 0.00 56.93 55.09 1g90 s PHE 51 Cb 0.00 -0.44 0.06 0.00 0.51 0.00 0.00 43.02 43.15 1g90 s PHE 51 CO 0.00 -0.46 0.35 -2.00 0.70 0.00 0.00 175.22 173.82 1g90 s GLU 52 N -3.99 0.31 -0.06 0.44 2.12 0.37 -1.43 118.70 116.45 1g90 s GLU 52 Ca 0.17 0.75 0.00 0.00 0.36 0.00 0.00 54.97 56.25 1g90 s GLU 52 Cb 0.08 -0.01 0.02 0.00 0.26 0.00 0.00 34.13 34.48 1g90 s GLU 52 CO -0.03 -0.18 -0.03 -1.64 -0.54 0.00 0.00 175.26 172.84 1g90 s MET 53 N 1.61 0.75 0.12 4.30 -1.94 0.81 -0.51 119.30 124.45 1g90 s MET 53 Ca -0.08 -0.02 -0.22 0.00 -1.71 0.00 0.00 55.69 53.67 1g90 s MET 53 Cb -0.10 -0.90 0.07 0.00 2.01 0.00 0.00 34.83 35.92 1g90 s MET 53 CO -0.11 -0.18 1.02 0.41 -0.01 0.00 0.00 175.02 176.15 1g90 n GLY 54 N 4.50 0.54 3.12 -0.03 0.00 0.10 -0.44 105.19 112.99 1g90 n GLY 54 Ca -0.18 -1.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.40 1g90 n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g90 s TYR 55 N -2.30 3.00 -0.15 1.61 2.02 0.09 -0.14 117.35 121.48 1g90 s TYR 55 Ca 0.23 -1.86 -0.11 0.00 -0.37 0.00 0.00 57.07 54.96 1g90 s TYR 55 Cb -0.02 -1.95 -0.05 0.00 -0.40 0.00 0.00 41.96 39.54 1g90 s TYR 55 CO 0.04 -0.82 0.22 -0.51 -1.57 0.00 0.00 175.55 172.90 1g90 s ASP 56 N 1.23 6.39 0.33 2.29 1.01 -1.26 -1.25 116.67 125.40 1g90 s ASP 56 Ca -0.01 0.45 -0.18 0.00 0.71 0.00 0.00 52.55 53.52 1g90 s ASP 56 Cb -0.16 -2.13 0.05 0.00 1.01 0.00 0.00 42.92 41.69 1g90 s ASP 56 CO -0.09 0.22 0.82 0.72 0.21 0.00 0.00 175.17 177.05 1g90 s PHE 57 N -0.06 0.04 -0.31 4.23 -0.71 0.42 -4.11 117.98 117.48 1g90 s PHE 57 Ca 0.14 -0.62 0.01 0.00 -1.04 0.00 0.00 56.93 55.42 1g90 s PHE 57 Cb -0.12 0.79 0.09 0.00 -1.21 0.00 0.00 43.02 42.57 1g90 s PHE 57 CO 0.03 -1.39 0.06 -1.17 -1.34 0.00 0.00 175.22 171.41 1g90 s LEU 58 N -3.08 3.21 -0.98 -1.99 2.96 0.93 -0.39 118.68 119.35 1g90 s LEU 58 Ca 0.15 -1.76 -0.06 0.00 -0.22 0.00 0.00 54.13 52.24 1g90 s LEU 58 Cb -0.05 -1.19 -0.07 0.00 0.50 0.00 0.00 46.19 45.38 1g90 s LEU 58 CO 0.09 -0.38 2.35 0.61 -1.32 0.00 0.00 176.35 177.70 1g90 n GLY 59 N 4.60 3.28 5.07 7.98 0.00 -1.26 -3.88 105.19 120.98 1g90 n GLY 59 Ca -0.01 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 3.91 0.00 -3.66 1.61 1.74 -1.26 -3.26 116.66 115.74 1g90 n ARG 60 Ca 0.50 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.32 1g90 n ARG 60 Cb 0.20 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.47 1g90 n ARG 60 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1g90 s MET 61 N 0.00 0.26 0.14 5.56 -1.94 -1.26 -4.02 119.30 118.04 1g90 s MET 61 Ca 0.00 -0.16 0.14 0.00 -1.71 0.00 0.00 55.69 53.96 1g90 s MET 61 Cb 0.00 -1.83 0.67 0.00 2.01 0.00 0.00 34.83 35.68 1g90 s MET 61 CO 0.00 -0.63 1.44 -0.35 -0.01 0.00 0.00 175.02 175.47 1g90 n PRO 62 N 5.20 0.08 0.13 2.03 -0.04 -1.20 -0.79 135.00 140.41 1g90 n PRO 62 Ca -0.07 0.46 0.17 0.00 -0.04 0.00 0.00 63.50 64.02 1g90 n PRO 62 Cb 0.48 -1.70 0.74 0.00 -0.04 0.00 0.00 33.50 32.98 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 -1.89 -3.46 116.97 115.35 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 0.14 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.41 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 -4.13 0.00 -1.98 1.82 4.81 0.03 -4.86 118.16 113.85 1g90 n LYS 64 Ca 0.04 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.22 1g90 n LYS 64 Cb 0.42 -3.53 -0.07 0.00 0.02 0.00 0.00 35.03 31.87 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 -1.46 0.81 0.69 3.14 0.00 -1.26 -4.64 105.19 102.47 1g90 n GLY 65 Ca 0.00 -0.57 0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 15.15 -4.12 -4.02 1.61 2.88 -1.26 -5.08 113.62 118.78 1g90 n SER 66 Ca 0.44 0.32 -0.08 0.00 -1.33 0.00 0.00 58.87 58.22 1g90 n SER 66 Cb 0.46 -2.12 -0.09 0.00 -0.75 0.00 0.00 64.21 61.71 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 -1.79 0.15 0.67 2.46 -7.23 -1.26 -4.63 120.40 108.77 1g90 s VAL 67 Ca 0.00 -1.60 -0.16 0.00 -1.81 0.00 0.00 61.98 58.41 1g90 s VAL 67 Cb 0.00 -1.63 0.01 0.00 0.56 0.00 0.00 36.38 35.31 1g90 s VAL 67 CO 0.00 -0.68 1.15 -0.70 -0.31 0.00 0.00 175.10 174.56 1g90 s GLU 68 N -3.94 2.64 0.14 4.82 2.56 -1.26 -4.87 118.70 118.79 1g90 s GLU 68 Ca 0.12 1.56 0.09 0.00 0.00 0.00 0.00 54.97 56.74 1g90 s GLU 68 Cb 0.06 -1.91 -0.15 0.00 2.00 0.00 0.00 34.13 34.13 1g90 s GLU 68 CO -0.06 -1.41 1.26 -2.95 -0.56 0.00 0.00 175.26 171.54 1g90 h ASN 69 N 0.08 0.00 0.00 -1.70 7.08 -1.97 -3.47 115.58 115.60 1g90 h ASN 69 Ca -0.48 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.74 1g90 h ASN 69 Cb 1.27 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.51 1g90 h ASN 69 CO 0.53 0.88 0.00 0.61 -2.08 0.00 0.00 177.43 177.37 1g90 n GLY 70 N 1.34 -0.58 4.79 9.14 0.00 -1.26 -5.01 105.19 113.62 1g90 n GLY 70 Ca -0.01 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.63 0.00 -1.66 4.61 0.00 0.55 -4.95 120.51 118.42 1g90 n ALA 71 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 1g90 n ALA 71 Cb 0.00 -0.56 0.06 0.00 0.00 0.00 0.00 19.45 18.96 1g90 n ALA 71 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1g90 n TYR 72 N -1.94 1.29 -1.57 0.00 4.11 -1.26 -4.70 117.16 113.09 1g90 n TYR 72 Ca 0.00 0.43 -0.42 0.00 -0.00 0.00 0.00 57.90 57.90 1g90 n TYR 72 Cb 0.00 -2.19 -0.02 0.00 -0.00 0.00 0.00 39.34 37.13 1g90 n TYR 72 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1g90 n LYS 73 N -1.46 2.40 -0.25 -3.48 4.01 -1.26 -3.00 118.16 115.11 1g90 n LYS 73 Ca 0.15 -2.37 -0.07 0.00 -0.51 0.00 0.00 58.31 55.51 1g90 n LYS 73 Cb 0.48 -3.18 -0.02 0.00 -0.51 0.00 0.00 35.03 31.79 1g90 n LYS 73 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1g90 h ALA 74 N 6.74 -0.24 -2.89 7.82 0.00 -1.64 0.26 119.26 129.32 1g90 h ALA 74 Ca 0.51 0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.61 1g90 h ALA 74 Cb 0.66 0.97 -0.09 0.00 0.00 0.00 0.00 17.79 19.34 1g90 h ALA 74 CO 1.89 -0.79 0.26 1.14 0.00 0.00 0.00 179.25 181.75 1g90 s GLN 75 N -5.85 1.47 0.03 0.00 -2.07 -0.28 -4.34 119.66 108.61 1g90 s GLN 75 Ca -0.14 -0.71 -0.28 0.00 -1.82 0.00 0.00 55.36 52.41 1g90 s GLN 75 Cb 0.14 0.57 0.10 0.00 -1.09 0.00 0.00 33.01 32.73 1g90 s GLN 75 CO 0.67 -0.66 1.23 0.20 -1.32 0.00 0.00 175.29 175.41 1g90 s GLY 76 N -2.83 -0.14 0.00 2.60 0.00 -1.26 -0.67 107.32 105.02 1g90 s GLY 76 Ca 0.07 0.10 0.01 0.00 0.00 0.00 0.00 44.72 44.90 1g90 s GLY 76 CO -0.02 3.72 -0.03 0.14 0.00 0.00 0.00 173.10 176.91 1g90 s VAL 77 N -2.16 0.20 -0.07 1.40 1.01 0.41 -4.48 120.40 116.71 1g90 s VAL 77 Ca 0.24 -0.22 0.04 0.00 0.00 0.00 0.00 61.98 62.05 1g90 s VAL 77 Cb 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 36.38 36.18 1g90 s VAL 77 CO -0.00 -0.02 -0.21 -1.10 0.00 0.00 0.00 175.10 173.78 1g90 s GLN 78 N -0.25 2.38 -0.19 2.72 1.11 0.81 -0.86 119.66 125.38 1g90 s GLN 78 Ca -0.01 -0.74 -0.02 0.00 0.01 0.00 0.00 55.36 54.59 1g90 s GLN 78 Cb -0.02 -1.93 0.06 0.00 -1.01 0.00 0.00 33.01 30.11 1g90 s GLN 78 CO -0.00 0.22 0.02 -0.48 0.01 0.00 0.00 175.29 175.06 1g90 s LEU 79 N 0.19 1.30 0.01 2.90 2.34 0.29 -0.72 118.68 124.99 1g90 s LEU 79 Ca -0.11 -0.81 0.01 0.00 0.06 0.00 0.00 54.13 53.28 1g90 s LEU 79 Cb -0.15 -0.65 -0.01 0.00 -0.56 0.00 0.00 46.19 44.82 1g90 s LEU 79 CO 0.05 -0.29 -0.05 0.42 -1.06 0.00 0.00 176.35 175.43 1g90 s THR 80 N 1.81 0.33 0.32 5.48 -4.23 0.33 -0.81 115.64 118.88 1g90 s THR 80 Ca -0.01 -0.42 -0.16 0.00 -1.18 0.00 0.00 61.69 59.91 1g90 s THR 80 Cb -0.17 -0.33 -0.09 0.00 1.34 0.00 0.00 72.50 73.25 1g90 s THR 80 CO -0.08 -0.07 0.76 0.00 -0.54 0.00 0.00 174.62 174.70 1g90 s ALA 81 N -0.49 3.30 0.12 3.99 0.00 0.55 -0.48 121.76 128.75 1g90 s ALA 81 Ca -0.03 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.08 1g90 s ALA 81 Cb -0.04 -2.83 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 1g90 s ALA 81 CO -0.00 0.31 -0.11 -1.59 0.00 0.00 0.00 175.76 174.37 1g90 s LYS 82 N -2.87 0.94 -0.06 0.00 -2.85 0.74 -0.94 119.74 114.69 1g90 s LYS 82 Ca 0.54 -1.26 0.00 0.00 -1.00 0.00 0.00 55.97 54.25 1g90 s LYS 82 Cb -0.11 -0.61 0.02 0.00 -2.06 0.00 0.00 37.83 35.07 1g90 s LYS 82 CO 0.17 0.09 -0.04 -1.17 0.10 0.00 0.00 175.35 174.51 1g90 s LEU 83 N -2.66 1.10 -0.01 2.77 2.96 0.49 -1.30 118.68 122.02 1g90 s LEU 83 Ca 0.09 -0.15 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1g90 s LEU 83 Cb -0.01 -0.52 0.00 0.00 0.50 0.00 0.00 46.19 46.16 1g90 s LEU 83 CO 0.01 -0.10 -0.06 -0.83 -1.32 0.00 0.00 176.35 174.04 1g90 s GLY 84 N 1.33 0.35 -0.02 7.98 0.00 -1.26 -0.78 107.32 114.92 1g90 s GLY 84 Ca -0.04 -0.23 0.01 0.00 0.00 0.00 0.00 44.72 44.45 1g90 s GLY 84 CO -0.02 -0.10 -0.01 -0.19 0.00 0.00 0.00 173.10 172.78 1g90 s TYR 85 N 0.07 0.24 0.43 1.90 2.02 -0.61 -4.52 117.35 116.88 1g90 s TYR 85 Ca -0.00 -0.00 -0.25 0.00 -0.37 0.00 0.00 57.07 56.45 1g90 s TYR 85 Cb -0.05 -0.28 -0.08 0.00 -0.40 0.00 0.00 41.96 41.15 1g90 s TYR 85 CO -0.00 -0.07 1.25 -1.25 -1.57 0.00 0.00 175.55 173.91 1g90 s PRO 86 N 0.59 3.88 0.00 -1.71 0.04 -1.26 -0.94 135.00 135.60 1g90 s PRO 86 Ca -0.06 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.07 1g90 s PRO 86 Cb -0.09 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1g90 s PRO 86 CO -0.01 -0.52 0.51 0.44 0.04 0.00 0.00 177.00 177.46 1g90 n ILE 87 N -0.09 0.00 -3.65 0.56 -6.64 -0.28 -4.87 119.36 104.39 1g90 n ILE 87 Ca 0.05 -0.44 -0.09 0.00 -1.77 0.00 0.00 62.75 60.50 1g90 n ILE 87 Cb 0.45 1.08 -0.02 0.00 -1.44 0.00 0.00 39.64 39.71 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 -1.00 0.00 -0.06 7.28 2.01 -1.21 -5.00 115.64 117.66 1g90 s THR 88 Ca 0.05 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.52 1g90 s THR 88 Cb 0.05 -1.52 -0.13 0.00 0.01 0.00 0.00 72.50 70.91 1g90 s THR 88 CO 0.15 0.00 2.11 -0.90 -0.69 0.00 0.00 174.62 175.30 1g90 n ASP 89 N -0.42 2.85 0.13 3.53 5.75 -1.26 -3.07 116.55 124.06 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 2.86 -1.62 -3.96 -1.12 2.03 -1.26 -5.03 116.55 108.45 1g90 n ASP 90 Ca 0.24 0.47 -0.08 0.00 0.52 0.00 0.00 54.79 55.93 1g90 n ASP 90 Cb 0.45 1.67 -0.09 0.00 -0.72 0.00 0.00 41.12 42.43 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 -6.23 1.94 0.09 -2.67 0.05 -1.17 -1.15 118.68 109.53 1g90 s LEU 91 Ca 0.00 -0.73 0.07 0.00 0.05 0.00 0.00 54.13 53.53 1g90 s LEU 91 Cb 0.00 0.58 -0.04 0.00 -2.05 0.00 0.00 46.19 44.68 1g90 s LEU 91 CO 0.00 -0.60 -0.13 -1.81 -0.55 0.00 0.00 176.35 173.26 1g90 s ASP 92 N -2.61 4.19 0.00 1.48 1.11 0.10 -1.13 116.67 119.82 1g90 s ASP 92 Ca 0.02 -0.43 -0.18 0.00 0.18 0.00 0.00 52.55 52.14 1g90 s ASP 92 Cb 0.04 -0.74 -0.06 0.00 1.07 0.00 0.00 42.92 43.23 1g90 s ASP 92 CO -0.08 0.19 0.52 -0.63 1.18 0.00 0.00 175.17 176.35 1g90 s ILE 93 N -1.15 4.93 0.03 0.77 1.01 -0.12 -1.24 121.20 125.44 1g90 s ILE 93 Ca 0.19 1.08 0.06 0.00 0.00 0.00 0.00 60.65 61.98 1g90 s ILE 93 Cb -0.11 -3.84 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 1g90 s ILE 93 CO 0.11 0.49 -0.17 -0.47 0.00 0.00 0.00 174.94 174.91 1g90 s TYR 94 N -0.60 1.45 -0.06 3.97 5.04 0.21 -1.57 117.35 125.80 1g90 s TYR 94 Ca 0.28 -0.35 -0.22 0.00 -2.44 0.00 0.00 57.07 54.34 1g90 s TYR 94 Cb -0.18 -0.87 0.05 0.00 0.35 0.00 0.00 41.96 41.31 1g90 s TYR 94 CO 0.16 0.05 0.50 0.99 -1.34 0.00 0.00 175.55 175.90 1g90 s THR 95 N -0.76 0.02 0.05 4.34 2.01 0.04 -0.56 115.64 120.77 1g90 s THR 95 Ca 0.04 -0.20 -0.11 0.00 0.31 0.00 0.00 61.69 61.73 1g90 s THR 95 Cb -0.08 -0.79 0.01 0.00 0.01 0.00 0.00 72.50 71.65 1g90 s THR 95 CO 0.01 -0.11 0.23 0.00 -0.69 0.00 0.00 174.62 174.06 1g90 s ARG 96 N -1.01 0.75 0.10 4.92 1.70 0.48 -0.38 118.95 125.51 1g90 s ARG 96 Ca -0.10 -0.64 -0.16 0.00 -0.47 0.00 0.00 55.73 54.35 1g90 s ARG 96 Cb -0.03 0.31 0.03 0.00 -0.57 0.00 0.00 34.95 34.70 1g90 s ARG 96 CO 0.06 -0.23 0.40 -0.48 -1.08 0.00 0.00 175.30 173.97 1g90 s LEU 97 N -2.19 0.41 0.00 -1.89 2.34 -0.12 -1.00 118.68 116.24 1g90 s LEU 97 Ca -0.04 -0.24 0.00 0.00 0.06 0.00 0.00 54.13 53.91 1g90 s LEU 97 Cb -0.00 1.81 0.00 0.00 -0.56 0.00 0.00 46.19 47.43 1g90 s LEU 97 CO -0.05 -0.80 0.00 0.61 -1.06 0.00 0.00 176.35 175.05 1g90 n GLY 98 N -0.04 -0.54 3.42 -3.48 0.00 -0.04 -0.33 105.19 104.18 1g90 n GLY 98 Ca -0.17 -0.09 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 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 1.74 0.01 -0.02 0.00 0.01 -0.56 107.32 108.50 1g90 s GLY 99 Ca 0.00 -1.84 -0.06 0.00 0.00 0.00 0.00 44.72 42.82 1g90 s GLY 99 CO 0.00 -1.85 0.11 -0.29 0.00 0.00 0.00 173.10 171.07 1g90 s MET 100 N -3.66 0.45 0.04 2.90 0.00 0.50 -0.54 119.30 118.99 1g90 s MET 100 Ca 0.28 -0.44 0.02 0.00 0.00 0.00 0.00 55.69 55.55 1g90 s MET 100 Cb 0.01 0.19 -0.02 0.00 0.00 0.00 0.00 34.83 35.00 1g90 s MET 100 CO 0.11 -0.10 -0.07 0.54 0.00 0.00 0.00 175.02 175.50 1g90 s VAL 101 N -1.40 0.47 -0.11 10.11 0.11 -0.04 -1.19 120.40 128.36 1g90 s VAL 101 Ca -0.15 -1.06 -0.15 0.00 -2.93 0.00 0.00 61.98 57.69 1g90 s VAL 101 Cb -0.08 -0.56 0.04 0.00 -1.53 0.00 0.00 36.38 34.24 1g90 s VAL 101 CO 0.01 -0.41 0.38 0.12 -3.33 0.00 0.00 175.10 171.87 1g90 s PHE 102 N -1.42 -0.37 -0.00 1.54 5.36 0.41 -0.44 117.98 123.06 1g90 s PHE 102 Ca -0.11 0.84 -0.05 0.00 -0.96 0.00 0.00 56.93 56.65 1g90 s PHE 102 Cb -0.10 0.14 -0.00 0.00 -0.34 0.00 0.00 43.02 42.72 1g90 s PHE 102 CO 0.00 -0.27 0.09 0.50 -1.46 0.00 0.00 175.22 174.08 1g90 s ARG 103 N -0.26 0.38 -0.14 10.12 3.52 0.15 -0.88 118.95 131.85 1g90 s ARG 103 Ca -0.04 -0.36 -0.06 0.00 -0.13 0.00 0.00 55.73 55.13 1g90 s ARG 103 Cb -0.03 0.16 0.06 0.00 -1.56 0.00 0.00 34.95 33.57 1g90 s ARG 103 CO 0.02 -0.08 0.31 0.00 -0.81 0.00 0.00 175.30 174.74 1g90 s ALA 104 N -1.17 -0.75 -0.54 6.12 0.00 0.66 -1.13 121.76 124.94 1g90 s ALA 104 Ca -0.13 1.18 -0.27 0.00 0.00 0.00 0.00 51.96 52.74 1g90 s ALA 104 Cb -0.07 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1g90 s ALA 104 CO 0.01 -0.37 1.70 -0.51 0.00 0.00 0.00 175.76 176.59 1g90 s ASP 105 N 1.69 5.67 -0.06 0.00 1.01 -1.16 -4.44 116.67 119.38 1g90 s ASP 105 Ca -0.06 0.49 0.07 0.00 0.71 0.00 0.00 52.55 53.76 1g90 s ASP 105 Cb -0.10 -2.53 0.29 0.00 1.01 0.00 0.00 42.92 41.58 1g90 s ASP 105 CO -0.10 -2.03 1.06 1.07 0.21 0.00 0.00 175.17 175.38 1g90 n THR 106 N 7.12 0.79 -1.49 -1.27 5.66 -1.26 -0.33 114.28 123.50 1g90 n THR 106 Ca 0.18 -0.47 -0.48 0.00 -3.05 0.00 0.00 64.05 60.23 1g90 n THR 106 Cb 0.50 -0.18 -0.06 0.00 -1.55 0.00 0.00 70.33 69.04 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 0.27 1.34 -0.71 1.09 0.00 -1.26 -4.76 118.16 114.13 1g90 n LYS 107 Ca 0.10 0.36 0.00 0.00 0.00 0.00 0.00 58.31 58.77 1g90 n LYS 107 Cb 0.47 -2.71 0.00 0.00 0.00 0.00 0.00 35.03 32.79 1g90 n LYS 107 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1g90 n SER 108 N 10.54 0.00 -2.03 3.14 2.88 -1.26 -1.92 113.62 124.98 1g90 n SER 108 Ca 0.38 -0.62 -0.02 0.00 -1.33 0.00 0.00 58.87 57.27 1g90 n SER 108 Cb 0.30 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.73 1g90 n SER 108 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1g90 n ASN 109 N -0.54 2.18 0.00 -3.46 3.02 -1.04 -4.87 115.26 110.56 1g90 n ASN 109 Ca 0.00 -1.73 0.00 0.00 -0.03 0.00 0.00 54.58 52.82 1g90 n ASN 109 Cb 0.00 -0.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.65 1g90 n ASN 109 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1g90 n VAL 110 N 2.26 0.00 0.11 2.41 0.31 -1.26 -0.99 118.33 121.17 1g90 n VAL 110 Ca 0.08 0.00 -0.03 0.00 -0.01 0.00 0.00 64.34 64.38 1g90 n VAL 110 Cb 0.29 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.30 1g90 n VAL 110 CO 0.00 0.00 0.00 0.10 -1.32 0.00 0.00 176.83 175.61 1g90 h TYR 111 N 0.00 0.02 -0.71 3.52 -0.00 -1.97 -3.37 116.97 114.46 1g90 h TYR 111 Ca 0.00 -0.01 -0.71 0.00 0.00 0.00 0.00 58.73 58.01 1g90 h TYR 111 Cb 0.00 -0.00 -0.08 0.00 0.00 0.00 0.00 36.73 36.64 1g90 h TYR 111 CO 0.00 0.74 2.48 0.41 -0.00 0.00 0.00 178.16 181.79 1g90 n GLY 112 N 0.57 3.65 3.29 0.10 0.00 -0.16 -4.90 105.19 107.74 1g90 n GLY 112 Ca -0.01 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.21 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 3.11 1.26 0.93 1.61 -2.85 -1.26 -2.49 119.74 120.06 1g90 s LYS 113 Ca 0.48 -1.64 -0.12 0.00 -1.00 0.00 0.00 55.97 53.69 1g90 s LYS 113 Cb 0.08 -0.34 0.15 0.00 -2.06 0.00 0.00 37.83 35.66 1g90 s LYS 113 CO -0.00 -0.18 1.11 0.54 0.10 0.00 0.00 175.35 176.92 1g90 s ASN 114 N -3.25 3.26 -0.08 0.03 4.22 -1.26 -5.02 114.94 112.83 1g90 s ASN 114 Ca 0.30 1.12 -0.30 0.00 -2.14 0.00 0.00 52.86 51.84 1g90 s ASN 114 Cb 0.07 -1.75 -0.05 0.00 1.28 0.00 0.00 41.25 40.80 1g90 s ASN 114 CO 0.08 -2.73 1.60 -1.00 -2.04 0.00 0.00 177.10 173.02 1g90 s HIS 115 N -3.12 2.09 -0.10 1.54 3.76 -1.26 -4.92 115.29 113.29 1g90 s HIS 115 Ca 0.64 0.33 0.15 0.00 -0.15 0.00 0.00 55.06 56.02 1g90 s HIS 115 Cb -0.16 -3.87 -0.08 0.00 1.11 0.00 0.00 32.58 29.58 1g90 s HIS 115 CO 0.55 -3.51 1.09 0.38 -0.85 0.00 0.00 174.74 172.41 1g90 h ASP 116 N 9.48 0.00 -5.04 1.40 3.04 -1.96 -3.40 116.42 119.94 1g90 h ASP 116 Ca -0.37 0.00 -0.10 0.00 -3.24 0.00 0.00 57.03 53.32 1g90 h ASP 116 Cb 1.17 0.00 -0.18 0.00 -1.04 0.00 0.00 39.33 39.28 1g90 h ASP 116 CO 0.96 0.64 -0.28 -0.89 -2.04 0.00 0.00 179.24 177.63 1g90 s THR 117 N -2.88 0.08 0.04 1.15 2.01 -1.26 -0.25 115.64 114.54 1g90 s THR 117 Ca -0.00 -0.67 -0.27 0.00 0.31 0.00 0.00 61.69 61.06 1g90 s THR 117 Cb 0.08 -0.86 0.09 0.00 0.01 0.00 0.00 72.50 71.82 1g90 s THR 117 CO 0.79 -0.37 0.81 -0.83 -0.69 0.00 0.00 174.62 174.33 1g90 s GLY 118 N -1.91 -0.50 -0.15 4.40 0.00 -0.06 -4.93 107.32 104.17 1g90 s GLY 118 Ca -0.07 0.84 -0.13 0.00 0.00 0.00 0.00 44.72 45.36 1g90 s GLY 118 CO -0.02 0.28 0.39 0.54 0.00 0.00 0.00 173.10 174.29 1g90 s VAL 119 N -3.30 -0.00 0.08 1.40 0.11 -1.26 -0.44 120.40 116.99 1g90 s VAL 119 Ca 0.04 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.82 1g90 s VAL 119 Cb -0.01 -0.55 0.09 0.00 -1.53 0.00 0.00 36.38 34.37 1g90 s VAL 119 CO -0.10 0.00 1.08 -0.44 -3.33 0.00 0.00 175.10 172.31 1g90 s SER 120 N 0.26 -0.14 0.93 3.54 0.01 -0.33 -4.99 113.70 112.98 1g90 s SER 120 Ca -0.00 -0.29 -0.11 0.00 1.31 0.00 0.00 55.95 56.86 1g90 s SER 120 Cb -0.03 0.36 0.15 0.00 0.21 0.00 0.00 66.02 66.72 1g90 s SER 120 CO -0.00 -0.66 1.10 -2.16 0.41 0.00 0.00 173.24 171.92 1g90 s PRO 121 N -2.96 0.91 0.08 12.44 0.04 -1.26 -0.37 135.00 143.88 1g90 s PRO 121 Ca 0.13 1.14 -0.10 0.00 0.04 0.00 0.00 61.00 62.21 1g90 s PRO 121 Cb 0.01 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1g90 s PRO 121 CO -0.00 -2.57 0.21 0.54 0.04 0.00 0.00 177.00 175.21 1g90 s VAL 122 N -2.74 0.13 0.16 -0.36 0.11 0.28 -4.58 120.40 113.40 1g90 s VAL 122 Ca 0.65 -1.08 -0.09 0.00 -2.93 0.00 0.00 61.98 58.54 1g90 s VAL 122 Cb -0.21 -1.25 -0.01 0.00 -1.53 0.00 0.00 36.38 33.38 1g90 s VAL 122 CO 0.59 -0.59 0.28 0.72 -3.33 0.00 0.00 175.10 172.76 1g90 s PHE 123 N -3.63 0.37 0.21 1.54 -0.71 -1.26 -0.86 117.98 113.64 1g90 s PHE 123 Ca 0.03 -0.74 -0.17 0.00 -1.04 0.00 0.00 56.93 55.01 1g90 s PHE 123 Cb 0.04 -0.05 0.02 0.00 -1.21 0.00 0.00 43.02 41.82 1g90 s PHE 123 CO -0.10 -0.70 0.54 0.00 -1.34 0.00 0.00 175.22 173.61 1g90 s ALA 124 N -3.96 -0.88 0.21 1.99 0.00 -0.17 -4.77 121.76 114.19 1g90 s ALA 124 Ca 0.16 -0.30 -0.23 0.00 0.00 0.00 0.00 51.96 51.59 1g90 s ALA 124 Cb 0.03 0.88 0.05 0.00 0.00 0.00 0.00 23.12 24.08 1g90 s ALA 124 CO -0.01 -0.83 0.86 0.20 0.00 0.00 0.00 175.76 175.98 1g90 s GLY 125 N -2.89 -0.15 0.00 0.00 0.00 -0.39 -0.39 107.32 103.49 1g90 s GLY 125 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.73 1g90 s GLY 125 CO -0.01 0.01 0.00 0.61 0.00 0.00 0.00 173.10 173.71 1g90 n GLY 126 N -0.47 -0.57 3.08 0.20 0.00 0.27 -0.11 105.19 107.59 1g90 n GLY 126 Ca -0.05 0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 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 0.29 0.08 1.61 -7.23 0.05 -0.61 120.40 114.59 1g90 s VAL 127 Ca 0.00 -1.62 0.06 0.00 -1.81 0.00 0.00 61.98 58.62 1g90 s VAL 127 Cb 0.00 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.66 1g90 s VAL 127 CO 0.00 -0.85 -0.17 -0.70 -0.31 0.00 0.00 175.10 173.08 1g90 s GLU 128 N -3.30 0.92 -0.07 4.82 2.12 -0.37 -0.95 118.70 121.88 1g90 s GLU 128 Ca 0.02 -1.02 -0.03 0.00 0.36 0.00 0.00 54.97 54.30 1g90 s GLU 128 Cb 0.03 -1.02 0.04 0.00 0.26 0.00 0.00 34.13 33.44 1g90 s GLU 128 CO -0.07 0.23 0.14 -0.47 -0.54 0.00 0.00 175.26 174.55 1g90 s TYR 129 N -1.23 -0.15 0.17 5.30 6.14 0.11 0.01 117.35 127.69 1g90 s TYR 129 Ca 0.01 0.48 -0.30 0.00 0.64 0.00 0.00 57.07 57.90 1g90 s TYR 129 Cb -0.10 -0.14 -0.07 0.00 0.42 0.00 0.00 41.96 42.07 1g90 s TYR 129 CO 0.03 -0.18 1.00 0.00 0.64 0.00 0.00 175.55 177.04 1g90 s ALA 130 N 1.41 3.31 -0.09 3.97 0.00 -0.30 -0.90 121.76 129.16 1g90 s ALA 130 Ca -0.06 0.67 0.02 0.00 0.00 0.00 0.00 51.96 52.59 1g90 s ALA 130 Cb -0.12 -3.29 -0.07 0.00 0.00 0.00 0.00 23.12 19.65 1g90 s ALA 130 CO -0.06 -0.03 -0.05 -0.89 0.00 0.00 0.00 175.76 174.73 1g90 n ILE 131 N 2.27 0.52 -3.46 0.00 2.08 -0.24 -4.88 119.36 115.64 1g90 n ILE 131 Ca 0.01 -0.23 -0.14 0.00 0.56 0.00 0.00 62.75 62.95 1g90 n ILE 131 Cb 0.48 -0.82 -0.04 0.00 -0.75 0.00 0.00 39.64 38.51 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 -2.18 0.00 -1.34 1.39 2.01 -1.02 -5.00 115.64 109.50 1g90 s THR 132 Ca -0.10 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1g90 s THR 132 Cb 0.03 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.54 1g90 s THR 132 CO 0.24 -0.01 0.65 -0.81 -0.69 0.00 0.00 174.62 174.00 1g90 n PRO 133 N 0.11 0.00 0.00 4.92 -0.04 -1.26 -0.73 135.00 138.00 1g90 n PRO 133 Ca -0.18 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1g90 n PRO 133 Cb 0.62 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.55 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 -1.15 -0.89 -4.22 0.54 -0.00 -1.26 -4.98 120.64 108.69 1g90 n GLU 134 Ca 0.00 -0.52 -0.16 0.00 -0.00 0.00 0.00 57.16 56.47 1g90 n GLU 134 Cb 0.03 -1.00 -0.14 0.00 -0.00 0.00 0.00 31.44 30.34 1g90 n GLU 134 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.13 175.63 1g90 s ILE 135 N -0.03 0.57 0.22 3.84 2.07 0.09 -0.51 121.20 127.45 1g90 s ILE 135 Ca 0.00 -0.46 -0.04 0.00 -1.41 0.00 0.00 60.65 58.74 1g90 s ILE 135 Cb 0.00 -0.51 -0.03 0.00 0.13 0.00 0.00 42.46 42.05 1g90 s ILE 135 CO 0.00 0.06 0.23 0.00 -1.91 0.00 0.00 174.94 173.31 1g90 s ALA 136 N -0.39 0.82 0.19 1.50 0.00 0.46 -1.08 121.76 123.26 1g90 s ALA 136 Ca 0.01 -1.50 0.07 0.00 0.00 0.00 0.00 51.96 50.54 1g90 s ALA 136 Cb -0.04 1.31 -0.05 0.00 0.00 0.00 0.00 23.12 24.34 1g90 s ALA 136 CO -0.00 -0.66 -0.13 0.95 0.00 0.00 0.00 175.76 175.92 1g90 s THR 137 N -4.09 1.56 0.05 0.00 -4.23 -0.08 -0.12 115.64 108.73 1g90 s THR 137 Ca 0.35 -2.16 -0.01 0.00 -1.18 0.00 0.00 61.69 58.68 1g90 s THR 137 Cb 0.05 -2.00 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 1g90 s THR 137 CO 0.12 -0.63 -0.03 0.00 -0.54 0.00 0.00 174.62 173.54 1g90 s ARG 138 N -3.68 0.59 -0.06 3.99 1.70 0.07 0.06 118.95 121.62 1g90 s ARG 138 Ca 0.21 -1.17 -0.02 0.00 -0.47 0.00 0.00 55.73 54.28 1g90 s ARG 138 Cb 0.00 0.20 0.03 0.00 -0.57 0.00 0.00 34.95 34.62 1g90 s ARG 138 CO 0.05 -0.11 0.03 -0.51 -1.08 0.00 0.00 175.30 173.68 1g90 s LEU 139 N -2.81 0.40 0.05 -1.89 1.02 -0.13 -0.75 118.68 114.57 1g90 s LEU 139 Ca 0.05 -0.02 0.00 0.00 0.02 0.00 0.00 54.13 54.18 1g90 s LEU 139 Cb 0.07 -0.31 -0.03 0.00 0.02 0.00 0.00 46.19 45.93 1g90 s LEU 139 CO -0.09 -0.22 -0.04 -1.83 0.02 0.00 0.00 176.35 174.18 1g90 s GLU 140 N 2.06 0.53 0.01 1.70 -1.05 0.26 -0.77 118.70 121.43 1g90 s GLU 140 Ca 0.05 -0.94 -0.03 0.00 -0.15 0.00 0.00 54.97 53.90 1g90 s GLU 140 Cb -0.12 0.02 -0.01 0.00 -0.44 0.00 0.00 34.13 33.58 1g90 s GLU 140 CO -0.04 -0.05 0.04 -0.47 0.95 0.00 0.00 175.26 175.69 1g90 s TYR 141 N -2.55 0.14 -0.08 4.83 5.04 0.84 -0.36 117.35 125.21 1g90 s TYR 141 Ca -0.03 -0.31 -0.03 0.00 -2.44 0.00 0.00 57.07 54.26 1g90 s TYR 141 Cb -0.02 -0.11 0.04 0.00 0.35 0.00 0.00 41.96 42.22 1g90 s TYR 141 CO -0.04 -0.20 0.13 -1.14 -1.34 0.00 0.00 175.55 172.96 1g90 s GLN 142 N -1.24 0.01 0.05 4.97 0.74 -0.37 -1.27 119.66 122.55 1g90 s GLN 142 Ca -0.13 0.47 0.01 0.00 0.05 0.00 0.00 55.36 55.76 1g90 s GLN 142 Cb -0.08 -0.44 -0.03 0.00 1.10 0.00 0.00 33.01 33.56 1g90 s GLN 142 CO 0.00 -0.34 -0.05 0.12 -0.55 0.00 0.00 175.29 174.47 1g90 s PHE 143 N 2.26 0.57 0.20 1.67 2.19 -1.26 -0.78 117.98 122.83 1g90 s PHE 143 Ca 0.04 -0.71 -0.12 0.00 0.33 0.00 0.00 56.93 56.47 1g90 s PHE 143 Cb -0.12 -0.36 -0.00 0.00 -1.31 0.00 0.00 43.02 41.22 1g90 s PHE 143 CO -0.05 -0.19 0.39 -0.08 1.83 0.00 0.00 175.22 177.12 1g90 s THR 144 N -2.39 0.03 -1.25 0.12 -1.32 -1.26 -5.00 115.64 104.58 1g90 s THR 144 Ca -0.04 -1.32 -0.20 0.00 -1.21 0.00 0.00 61.69 58.93 1g90 s THR 144 Cb -0.03 -1.97 0.03 0.00 -1.51 0.00 0.00 72.50 69.02 1g90 s THR 144 CO -0.03 -0.13 1.76 0.20 -2.21 0.00 0.00 174.62 174.21 1g90 s ASN 145 N -2.98 6.39 0.28 8.08 -0.87 -1.26 -4.75 114.94 119.83 1g90 s ASN 145 Ca 0.19 -2.17 -0.27 0.00 -1.57 0.00 0.00 52.86 49.04 1g90 s ASN 145 Cb 0.01 -2.58 -0.15 0.00 -0.02 0.00 0.00 41.25 38.51 1g90 s ASN 145 CO 0.04 -1.63 0.70 0.59 -2.57 0.00 0.00 177.10 174.22 1g90 n ASN 146 N 9.82 -0.26 -2.44 -1.22 4.13 -1.26 -4.86 115.26 119.17 1g90 n ASN 146 Ca 0.47 1.10 -0.23 0.00 1.68 0.00 0.00 54.58 57.60 1g90 n ASN 146 Cb 0.47 -1.11 -0.10 0.00 -1.54 0.00 0.00 39.78 37.50 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 -0.10 3.45 -1.45 2.41 5.41 -1.26 -4.95 119.36 122.86 1g90 n ILE 147 Ca 0.13 -2.41 -0.52 0.00 1.00 0.00 0.00 62.75 60.95 1g90 n ILE 147 Cb 0.31 -1.91 -0.07 0.00 -0.71 0.00 0.00 39.64 37.25 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 1.93 0.50 3.60 7.39 0.00 -1.26 -4.21 105.19 113.14 1g90 n GLY 148 Ca 0.50 0.94 -0.43 0.00 0.00 0.00 0.00 46.02 47.04 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 6.91 5.56 0.27 1.61 -4.77 -1.26 -4.73 116.67 120.25 1g90 s ASP 149 Ca 1.09 1.64 -0.18 0.00 -3.30 0.00 0.00 52.55 51.80 1g90 s ASP 149 Cb -0.91 -2.52 0.01 0.00 -1.09 0.00 0.00 42.92 38.42 1g90 s ASP 149 CO 0.51 -1.92 0.64 0.00 0.70 0.00 0.00 175.17 175.10 1g90 s ALA 150 N 8.01 -0.89 0.11 2.11 0.00 -1.26 -3.85 121.76 125.99 1g90 s ALA 150 Ca 0.93 -0.51 -0.33 0.00 0.00 0.00 0.00 51.96 52.06 1g90 s ALA 150 Cb -0.29 0.92 -0.12 0.00 0.00 0.00 0.00 23.12 23.64 1g90 s ALA 150 CO 0.34 -0.98 1.75 1.58 0.00 0.00 0.00 175.76 178.45 1g90 n HIS 151 N -0.44 2.49 -3.34 0.00 -0.00 0.46 -3.80 115.22 110.60 1g90 n HIS 151 Ca -0.03 0.02 -0.15 0.00 -0.00 0.00 0.00 57.72 57.56 1g90 n HIS 151 Cb 0.60 -2.66 0.01 0.00 -0.00 0.00 0.00 29.99 27.94 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 4.29 -7.16 0.00 3.57 -1.04 -1.26 -4.65 114.28 108.03 1g90 n THR 152 Ca 0.18 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1g90 n THR 152 Cb 0.33 -5.18 0.00 0.00 -1.82 0.00 0.00 70.33 63.66 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 -1.57 0.43 -0.29 12.58 -5.35 -1.25 -0.47 119.36 123.44 1g90 n ILE 153 Ca -0.10 0.14 -0.02 0.00 -0.27 0.00 0.00 62.75 62.50 1g90 n ILE 153 Cb 0.59 -1.14 0.10 0.00 -1.74 0.00 0.00 39.64 37.45 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 1.15 -7.28 3.28 0.00 -1.91 -3.41 103.07 94.91 1g90 h GLY 154 Ca 0.00 -0.38 -0.50 0.00 0.00 0.00 0.00 47.33 46.45 1g90 h GLY 154 CO 0.00 0.31 1.19 -1.59 0.00 0.00 0.00 176.54 176.45 1g90 s THR 155 N -6.10 3.66 0.14 4.70 2.01 0.37 -4.94 115.64 115.48 1g90 s THR 155 Ca -0.13 -0.15 0.04 0.00 0.31 0.00 0.00 61.69 61.76 1g90 s THR 155 Cb 0.17 -4.60 -0.04 0.00 0.01 0.00 0.00 72.50 68.04 1g90 s THR 155 CO 0.78 -1.52 -0.10 -0.13 -0.69 0.00 0.00 174.62 172.96 1g90 s ARG 156 N 6.00 1.02 0.33 4.92 0.52 -1.26 -4.83 118.95 125.64 1g90 s ARG 156 Ca 0.52 -1.41 0.26 0.00 -0.52 0.00 0.00 55.73 54.57 1g90 s ARG 156 Cb -0.06 -0.58 1.03 0.00 0.52 0.00 0.00 34.95 35.86 1g90 s ARG 156 CO 0.05 0.07 1.78 -1.00 0.02 0.00 0.00 175.30 176.22 1g90 h PRO 157 N 2.87 0.00 -3.77 3.54 0.13 -1.98 -3.47 132.00 129.32 1g90 h PRO 157 Ca -0.37 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.60 1g90 h PRO 157 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 1g90 h PRO 157 CO 0.63 0.00 -0.20 -0.25 -0.23 0.00 0.00 178.00 177.95 1g90 n ASP 158 N -2.47 -2.80 -4.41 1.44 8.00 -1.26 -4.94 116.55 110.10 1g90 n ASP 158 Ca 0.02 0.28 -0.34 0.00 0.71 0.00 0.00 54.79 55.47 1g90 n ASP 158 Cb 0.28 -2.49 -0.13 0.00 -0.02 0.00 0.00 41.12 38.76 1g90 n ASP 158 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1g90 s ASN 159 N -1.96 4.39 1.17 -2.24 2.47 -1.26 -4.91 114.94 112.59 1g90 s ASN 159 Ca 0.00 -0.26 -0.20 0.00 0.42 0.00 0.00 52.86 52.82 1g90 s ASN 159 Cb 0.00 -1.71 0.28 0.00 -1.45 0.00 0.00 41.25 38.38 1g90 s ASN 159 CO 0.00 0.13 1.19 -0.83 -3.72 0.00 0.00 177.10 173.87 1g90 s GLY 160 N 0.58 1.67 0.56 1.21 0.00 -1.26 -4.87 107.32 105.20 1g90 s GLY 160 Ca -0.05 -1.17 -0.16 0.00 0.00 0.00 0.00 44.72 43.33 1g90 s GLY 160 CO 0.03 -0.26 1.03 -3.16 0.00 0.00 0.00 173.10 170.75 1g90 s MET 161 N -5.67 3.55 0.03 2.90 0.23 0.04 -4.74 119.30 115.64 1g90 s MET 161 Ca 0.74 1.15 0.01 0.00 -1.03 0.00 0.00 55.69 56.56 1g90 s MET 161 Cb -0.06 -2.07 -0.02 0.00 -1.53 0.00 0.00 34.83 31.16 1g90 s MET 161 CO 0.55 -0.62 -0.06 -1.17 -2.03 0.00 0.00 175.02 171.69 1g90 s LEU 162 N -4.27 2.21 0.06 0.18 0.20 -0.11 -1.23 118.68 115.71 1g90 s LEU 162 Ca 0.63 -0.45 -0.04 0.00 0.69 0.00 0.00 54.13 54.95 1g90 s LEU 162 Cb -0.14 -0.10 -0.02 0.00 -0.43 0.00 0.00 46.19 45.50 1g90 s LEU 162 CO 0.33 -0.19 0.07 -0.94 -0.29 0.00 0.00 176.35 175.34 1g90 s SER 163 N -1.29 0.29 0.00 3.68 1.04 0.52 -0.52 113.70 117.41 1g90 s SER 163 Ca -0.10 -0.75 -0.08 0.00 0.48 0.00 0.00 55.95 55.50 1g90 s SER 163 Cb -0.09 0.25 0.00 0.00 0.10 0.00 0.00 66.02 66.28 1g90 s SER 163 CO -0.00 -0.60 0.15 -1.48 0.98 0.00 0.00 173.24 172.29 1g90 s LEU 164 N -2.63 1.50 0.25 2.42 2.34 -0.01 -0.57 118.68 121.98 1g90 s LEU 164 Ca 0.02 -0.21 -0.21 0.00 0.06 0.00 0.00 54.13 53.80 1g90 s LEU 164 Cb 0.04 0.73 0.06 0.00 -0.56 0.00 0.00 46.19 46.46 1g90 s LEU 164 CO -0.08 -0.39 0.90 -0.83 -1.06 0.00 0.00 176.35 174.88 1g90 s GLY 165 N -1.44 0.06 0.27 -3.48 0.00 0.07 -0.45 107.32 102.35 1g90 s GLY 165 Ca -0.14 -0.33 0.04 0.00 0.00 0.00 0.00 44.72 44.29 1g90 s GLY 165 CO 0.01 0.61 0.41 -1.34 0.00 0.00 0.00 173.10 172.79 1g90 s VAL 166 N -2.78 5.16 0.06 1.40 -7.23 -0.15 -0.75 120.40 116.10 1g90 s VAL 166 Ca 0.16 -0.87 -0.02 0.00 -1.81 0.00 0.00 61.98 59.44 1g90 s VAL 166 Cb -0.04 -3.84 -0.03 0.00 0.56 0.00 0.00 36.38 33.04 1g90 s VAL 166 CO 0.07 -0.37 0.01 -0.44 -0.31 0.00 0.00 175.10 174.05 1g90 s SER 167 N -4.00 0.41 -0.01 4.85 0.01 0.83 -1.39 113.70 114.40 1g90 s SER 167 Ca 0.36 -0.91 -0.01 0.00 1.31 0.00 0.00 55.95 56.70 1g90 s SER 167 Cb -0.09 0.22 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1g90 s SER 167 CO 0.31 -0.62 0.02 -0.47 0.41 0.00 0.00 173.24 172.89 1g90 s TYR 168 N -3.83 -0.01 0.35 2.43 5.04 0.31 -0.40 117.35 121.25 1g90 s TYR 168 Ca 0.06 0.02 -0.07 0.00 -2.44 0.00 0.00 57.07 54.65 1g90 s TYR 168 Cb 0.07 -0.00 -0.05 0.00 0.35 0.00 0.00 41.96 42.32 1g90 s TYR 168 CO -0.10 -0.02 0.65 1.03 -1.34 0.00 0.00 175.55 175.76 1g90 s ARG 169 N -0.09 3.67 -0.19 4.97 0.52 0.33 -0.59 118.95 127.57 1g90 s ARG 169 Ca -0.01 0.17 -0.29 0.00 -0.52 0.00 0.00 55.73 55.08 1g90 s ARG 169 Cb -0.01 -2.54 -0.03 0.00 0.52 0.00 0.00 34.95 32.89 1g90 s ARG 169 CO -0.00 0.09 1.61 0.12 0.02 0.00 0.00 175.30 177.14 1g90 s PHE 170 N -2.24 2.11 0.00 -0.53 5.36 0.31 -4.90 117.98 118.09 1g90 s PHE 170 Ca 0.47 0.51 0.00 0.00 -0.96 0.00 0.00 56.93 56.94 1g90 s PHE 170 Cb -0.10 -3.95 0.00 0.00 -0.34 0.00 0.00 43.02 38.63 1g90 s PHE 170 CO 0.32 -3.04 0.00 0.41 -1.46 0.00 0.00 175.22 171.45 1g90 n GLY 171 N 4.53 -1.51 1.03 13.12 0.00 -1.26 -4.77 105.19 116.33 1g90 n GLY 171 Ca 0.18 -1.55 0.12 0.00 0.00 0.00 0.00 46.02 44.78 1g90 n GLY 171 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1g90 n GLN 172 N -0.52 -2.40 -2.74 1.61 7.27 -1.26 -4.89 117.38 114.45 1g90 n GLN 172 Ca 0.00 1.97 -0.22 0.00 0.07 0.00 0.00 57.00 58.82 1g90 n GLN 172 Cb 0.00 -2.79 0.01 0.00 2.41 0.00 0.00 30.24 29.87 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 -3.64 -0.51 3.06 1.69 0.00 -1.26 -4.96 105.19 99.56 1g90 n GLY 173 Ca -0.07 0.07 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -5.40 0.63 0.12 1.61 2.12 -1.26 -4.71 118.70 111.80 1g90 s GLU 174 Ca 0.16 -0.59 -0.20 0.00 0.36 0.00 0.00 54.97 54.70 1g90 s GLU 174 Cb -0.07 -0.54 0.05 0.00 0.26 0.00 0.00 34.13 33.83 1g90 s GLU 174 CO 0.20 0.13 0.49 0.00 -0.54 0.00 0.00 175.26 175.54 1g90 s ALA 175 N -0.84 -1.24 -2.00 6.30 0.00 -1.26 -4.89 121.76 117.83 1g90 s ALA 175 Ca -0.03 0.28 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1g90 s ALA 175 Cb -0.07 0.68 0.06 0.00 0.00 0.00 0.00 23.12 23.79 1g90 s ALA 175 CO 0.00 -0.65 0.55 0.00 0.00 0.00 0.00 175.76 175.67