#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 2.81 0.04 0.00 0.04 -1.26 -4.99 135.00 131.64 1g90 s PRO 2 Ca 0.00 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 61.96 1g90 s PRO 2 Cb 0.00 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.49 1g90 s PRO 2 CO 0.00 -1.22 1.95 0.21 0.04 0.00 0.00 177.00 177.99 1g90 s LYS 3 N -4.45 4.14 1.00 4.56 2.36 -1.26 -4.91 119.74 121.18 1g90 s LYS 3 Ca 0.63 2.60 -0.12 0.00 -2.55 0.00 0.00 55.97 56.53 1g90 s LYS 3 Cb -0.17 -4.14 0.14 0.00 -1.05 0.00 0.00 37.83 32.60 1g90 s LYS 3 CO 0.46 -0.95 0.78 -0.25 1.55 0.00 0.00 175.35 176.94 1g90 n ASP 4 N 7.47 -1.06 -4.14 1.43 9.92 -1.26 -5.10 116.55 123.82 1g90 n ASP 4 Ca 0.20 0.23 -0.09 0.00 -0.53 0.00 0.00 54.79 54.59 1g90 n ASP 4 Cb 0.41 -1.30 -0.10 0.00 -0.64 0.00 0.00 41.12 39.49 1g90 n ASP 4 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1g90 s ASN 5 N -2.32 0.89 -0.16 -2.24 6.03 -1.26 -4.85 114.94 111.03 1g90 s ASN 5 Ca 0.63 -1.00 0.01 0.00 -1.03 0.00 0.00 52.86 51.47 1g90 s ASN 5 Cb -0.22 0.13 0.00 0.00 -3.03 0.00 0.00 41.25 38.14 1g90 s ASN 5 CO 0.63 -0.51 -0.17 -0.89 -2.03 0.00 0.00 177.10 174.12 1g90 s THR 6 N -3.72 2.44 0.19 0.54 2.01 0.21 -4.99 115.64 112.31 1g90 s THR 6 Ca 0.10 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.30 1g90 s THR 6 Cb 0.06 -2.02 -0.04 0.00 0.01 0.00 0.00 72.50 70.52 1g90 s THR 6 CO -0.07 0.52 0.20 0.26 -0.69 0.00 0.00 174.62 174.84 1g90 s TRP 7 N 0.89 3.23 0.05 4.92 0.52 -1.26 -0.63 118.94 126.66 1g90 s TRP 7 Ca -0.04 -0.01 -0.04 0.00 0.02 0.00 0.00 56.10 56.03 1g90 s TRP 7 Cb -0.15 -1.52 -0.02 0.00 -1.15 0.00 0.00 33.47 30.63 1g90 s TRP 7 CO -0.02 0.51 0.06 0.71 0.02 0.00 0.00 176.95 178.23 1g90 s TYR 8 N -1.85 0.30 0.09 -1.98 1.51 0.73 -0.34 117.35 115.81 1g90 s TYR 8 Ca 0.32 -0.70 -0.13 0.00 -1.01 0.00 0.00 57.07 55.55 1g90 s TYR 8 Cb -0.10 -0.21 0.02 0.00 -0.11 0.00 0.00 41.96 41.56 1g90 s TYR 8 CO 0.25 -0.38 0.30 -0.08 -1.11 0.00 0.00 175.55 174.53 1g90 s THR 9 N -3.14 0.10 0.00 -0.71 -1.32 -0.27 -0.49 115.64 109.81 1g90 s THR 9 Ca -0.00 -0.82 0.00 0.00 -1.21 0.00 0.00 61.69 59.65 1g90 s THR 9 Cb 0.02 -1.17 0.00 0.00 -1.51 0.00 0.00 72.50 69.84 1g90 s THR 9 CO -0.07 -0.45 0.00 0.61 -2.21 0.00 0.00 174.62 172.50 1g90 n GLY 10 N 0.05 -0.66 3.20 6.08 0.00 -0.36 -1.04 105.19 112.46 1g90 n GLY 10 Ca -0.16 -0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 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 1.42 -0.01 4.61 0.00 -0.34 -1.69 121.76 124.75 1g90 s ALA 11 Ca 0.00 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 50.99 1g90 s ALA 11 Cb 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1g90 s ALA 11 CO 0.00 0.27 -0.14 0.21 0.00 0.00 0.00 175.76 176.10 1g90 s LYS 12 N -1.49 1.15 0.26 0.00 2.20 -0.35 -1.12 119.74 120.38 1g90 s LYS 12 Ca 0.03 -0.49 0.10 0.00 -0.36 0.00 0.00 55.97 55.25 1g90 s LYS 12 Cb -0.09 -1.10 -0.04 0.00 -1.51 0.00 0.00 37.83 35.09 1g90 s LYS 12 CO 0.02 0.28 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.72 1g90 s LEU 13 N -0.28 3.00 0.07 5.43 1.02 0.67 -0.44 118.68 128.16 1g90 s LEU 13 Ca 0.04 -0.75 -0.11 0.00 0.02 0.00 0.00 54.13 53.33 1g90 s LEU 13 Cb -0.06 -1.54 0.01 0.00 0.02 0.00 0.00 46.19 44.63 1g90 s LEU 13 CO -0.00 0.02 0.26 -0.83 0.02 0.00 0.00 176.35 175.81 1g90 s GLY 14 N -3.55 -0.04 0.03 -3.19 0.00 0.47 -1.24 107.32 99.80 1g90 s GLY 14 Ca 0.30 -0.29 0.01 0.00 0.00 0.00 0.00 44.72 44.75 1g90 s GLY 14 CO 0.18 -0.49 -0.05 -1.36 0.00 0.00 0.00 173.10 171.38 1g90 s PHE 15 N -3.22 0.43 -0.04 1.90 0.40 -0.51 -1.55 117.98 115.38 1g90 s PHE 15 Ca -0.00 -0.51 -0.00 0.00 -0.60 0.00 0.00 56.93 55.81 1g90 s PHE 15 Cb 0.02 -0.27 0.03 0.00 0.51 0.00 0.00 43.02 43.30 1g90 s PHE 15 CO -0.08 -0.14 0.02 -1.54 0.70 0.00 0.00 175.22 174.18 1g90 s SER 16 N -1.49 0.67 0.54 1.36 1.04 0.04 -0.61 113.70 115.26 1g90 s SER 16 Ca -0.13 0.00 -0.21 0.00 0.48 0.00 0.00 55.95 56.09 1g90 s SER 16 Cb -0.10 -0.20 -0.05 0.00 0.10 0.00 0.00 66.02 65.77 1g90 s SER 16 CO -0.00 -0.15 1.22 -1.58 0.98 0.00 0.00 173.24 173.71 1g90 s GLN 17 N 1.42 3.28 -0.46 4.02 0.74 -0.23 -0.57 119.66 127.85 1g90 s GLN 17 Ca -0.04 1.89 0.08 0.00 0.05 0.00 0.00 55.36 57.34 1g90 s GLN 17 Cb -0.13 -2.15 0.29 0.00 1.10 0.00 0.00 33.01 32.12 1g90 s GLN 17 CO -0.03 -0.98 0.69 0.66 -0.55 0.00 0.00 175.29 175.08 1g90 n TYR 18 N -1.10 1.27 -2.26 1.67 4.01 -1.26 -4.76 117.16 114.72 1g90 n TYR 18 Ca 0.11 -3.82 -0.38 0.00 -0.16 0.00 0.00 57.90 53.65 1g90 n TYR 18 Cb 0.48 -0.43 -0.03 0.00 -0.31 0.00 0.00 39.34 39.05 1g90 n TYR 18 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1g90 s HIS 19 N -2.13 1.97 0.24 -0.72 5.65 -1.26 -4.11 115.29 114.93 1g90 s HIS 19 Ca 0.39 0.34 -0.30 0.00 0.25 0.00 0.00 55.06 55.74 1g90 s HIS 19 Cb 0.23 -4.33 -0.10 0.00 -1.18 0.00 0.00 32.58 27.20 1g90 s HIS 19 CO -0.09 -2.14 1.49 -0.51 -0.65 0.00 0.00 174.74 172.84 1g90 s ASP 20 N 6.29 6.60 0.30 9.88 1.01 -1.26 -4.83 116.67 134.66 1g90 s ASP 20 Ca 0.54 2.70 0.10 0.00 0.71 0.00 0.00 52.55 56.61 1g90 s ASP 20 Cb -0.09 -2.62 0.48 0.00 1.01 0.00 0.00 42.92 41.69 1g90 s ASP 20 CO 0.14 -0.76 1.69 0.71 0.21 0.00 0.00 175.17 177.16 1g90 h THR 21 N 3.60 1.37 -1.93 -1.27 1.35 -1.94 -3.17 112.91 110.93 1g90 h THR 21 Ca -0.46 -1.79 -0.78 0.00 -0.55 0.00 0.00 66.41 62.84 1g90 h THR 21 Cb 1.22 1.95 -0.20 0.00 -1.73 0.00 0.00 68.15 69.38 1g90 h THR 21 CO 0.80 0.51 1.58 0.61 -0.25 0.00 0.00 175.52 178.78 1g90 n GLY 22 N -0.02 5.23 2.16 5.82 0.00 -1.26 -4.58 105.19 112.54 1g90 n GLY 22 Ca -0.01 -2.34 -0.06 0.00 0.00 0.00 0.00 46.02 43.61 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 1.96 0.00 -0.13 1.61 -1.74 -1.20 -4.27 117.46 113.69 1g90 n PHE 23 Ca 0.42 -0.79 -0.05 0.00 -0.56 0.00 0.00 57.45 56.47 1g90 n PHE 23 Cb 0.31 -0.98 0.04 0.00 1.52 0.00 0.00 39.48 40.37 1g90 n PHE 23 CO 0.00 0.00 0.00 0.82 -0.56 0.00 0.00 176.76 177.02 1g90 h ILE 24 N 2.32 0.84 -2.25 1.97 2.04 -1.91 -3.12 117.51 117.40 1g90 h ILE 24 Ca 0.09 -0.09 -0.52 0.00 1.00 0.00 0.00 64.86 65.33 1g90 h ILE 24 Cb 0.80 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1g90 h ILE 24 CO 0.31 0.05 1.33 0.54 0.00 0.00 0.00 178.15 180.37 1g90 s ASN 25 N -5.35 5.49 0.00 1.72 4.22 -1.26 -4.88 114.94 114.88 1g90 s ASN 25 Ca -0.13 0.68 0.00 0.00 -2.14 0.00 0.00 52.86 51.27 1g90 s ASN 25 Cb 0.13 -2.53 0.00 0.00 1.28 0.00 0.00 41.25 40.14 1g90 s ASN 25 CO 0.72 -2.14 0.30 -0.46 -2.04 0.00 0.00 177.10 173.48 1g90 n ASN 26 N 11.91 0.76 -3.44 3.54 6.94 -1.18 -4.68 115.26 129.10 1g90 n ASN 26 Ca 0.21 -0.89 -0.10 0.00 -0.02 0.00 0.00 54.58 53.79 1g90 n ASN 26 Cb 0.50 -0.22 -0.02 0.00 -2.36 0.00 0.00 39.78 37.68 1g90 n ASN 26 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1g90 s ASN 27 N 0.01 0.12 -0.59 0.53 2.47 -1.26 -5.11 114.94 111.11 1g90 s ASN 27 Ca 0.00 -1.06 0.01 0.00 0.42 0.00 0.00 52.86 52.23 1g90 s ASN 27 Cb 0.00 0.72 0.43 0.00 -1.45 0.00 0.00 41.25 40.95 1g90 s ASN 27 CO 0.00 -1.40 1.74 0.61 -3.72 0.00 0.00 177.10 174.32 1g90 n GLY 28 N -0.49 5.95 0.00 1.21 0.00 -1.26 -4.75 105.19 105.85 1g90 n GLY 28 Ca -0.04 -2.48 0.04 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.75 0.01 -1.46 1.61 -0.04 -1.26 -1.62 135.00 131.48 1g90 n PRO 29 Ca 0.54 0.34 -0.11 0.00 -0.04 0.00 0.00 63.50 64.23 1g90 n PRO 29 Cb 0.65 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.52 1g90 n PRO 29 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1g90 n THR 30 N -1.49 0.00 0.00 0.52 -1.04 -1.26 -3.19 114.28 107.83 1g90 n THR 30 Ca 0.02 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 1g90 n THR 30 Cb 0.10 -1.58 0.00 0.00 -1.82 0.00 0.00 70.33 67.03 1g90 n THR 30 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1g90 n HIS 31 N 16.89 0.00 -3.93 -1.42 8.25 -1.26 -4.35 115.22 129.40 1g90 n HIS 31 Ca 0.33 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.48 1g90 n HIS 31 Cb 0.48 -0.06 -0.00 0.00 1.12 0.00 0.00 29.99 31.52 1g90 n HIS 31 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1g90 n GLU 32 N -1.92 -2.05 -2.21 -0.41 4.07 -0.64 -4.15 120.64 113.33 1g90 n GLU 32 Ca 0.00 0.34 -0.02 0.00 -0.06 0.00 0.00 57.16 57.43 1g90 n GLU 32 Cb 0.00 -4.04 0.01 0.00 -0.06 0.00 0.00 31.44 27.35 1g90 n GLU 32 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1g90 n ASN 33 N -2.77 -4.44 -3.66 4.31 3.02 -1.25 -5.00 115.26 105.47 1g90 n ASN 33 Ca -0.22 -0.10 -0.11 0.00 -0.03 0.00 0.00 54.58 54.12 1g90 n ASN 33 Cb 0.64 -2.83 -0.04 0.00 -0.61 0.00 0.00 39.78 36.94 1g90 n ASN 33 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1g90 s GLN 34 N -3.16 1.73 0.38 3.52 -0.21 0.26 -4.38 119.66 117.81 1g90 s GLN 34 Ca 0.05 -1.42 0.00 0.00 0.02 0.00 0.00 55.36 54.01 1g90 s GLN 34 Cb -0.01 0.48 0.00 0.00 1.00 0.00 0.00 33.01 34.48 1g90 s GLN 34 CO 0.33 -0.73 0.00 -0.11 -2.12 0.00 0.00 175.29 172.66 1g90 n LEU 35 N -0.45 -2.63 0.00 2.90 7.94 -1.07 -0.78 117.00 122.91 1g90 n LEU 35 Ca -0.02 0.71 0.00 0.00 -1.11 0.00 0.00 56.01 55.60 1g90 n LEU 35 Cb 0.62 2.54 0.00 0.00 0.53 0.00 0.00 43.42 47.10 1g90 n LEU 35 CO 0.25 -0.11 0.00 0.61 -1.11 0.00 0.00 177.39 177.03 1g90 n GLY 36 N -0.42 -1.11 3.38 -3.96 0.00 -0.60 -4.98 105.19 97.51 1g90 n GLY 36 Ca 0.00 -1.04 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 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 -1.00 0.40 0.22 4.61 0.00 -1.26 -0.39 121.76 124.33 1g90 s ALA 37 Ca 0.00 -1.23 -0.23 0.00 0.00 0.00 0.00 51.96 50.50 1g90 s ALA 37 Cb 0.00 1.17 0.04 0.00 0.00 0.00 0.00 23.12 24.33 1g90 s ALA 37 CO 0.00 -0.71 0.85 0.20 0.00 0.00 0.00 175.76 176.10 1g90 s GLY 38 N -3.07 -0.15 0.03 0.00 0.00 0.42 -3.82 107.32 100.73 1g90 s GLY 38 Ca 0.29 -0.10 -0.09 0.00 0.00 0.00 0.00 44.72 44.81 1g90 s GLY 38 CO 0.09 -0.02 0.34 0.00 0.00 0.00 0.00 173.10 173.51 1g90 s ALA 39 N -3.56 3.77 0.15 3.20 0.00 -0.08 -1.22 121.76 124.02 1g90 s ALA 39 Ca 0.12 -0.43 -0.06 0.00 0.00 0.00 0.00 51.96 51.59 1g90 s ALA 39 Cb -0.04 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.86 1g90 s ALA 39 CO 0.05 0.58 0.20 -0.59 0.00 0.00 0.00 175.76 176.00 1g90 s PHE 40 N -1.29 0.55 0.08 0.00 -0.71 -0.68 -0.55 117.98 115.38 1g90 s PHE 40 Ca 0.29 -0.92 0.04 0.00 -1.04 0.00 0.00 56.93 55.29 1g90 s PHE 40 Cb -0.14 -0.20 -0.03 0.00 -1.21 0.00 0.00 43.02 41.44 1g90 s PHE 40 CO 0.16 -0.65 -0.11 0.20 -1.34 0.00 0.00 175.22 173.48 1g90 s GLY 41 N -2.99 0.79 0.10 1.99 0.00 0.84 -1.22 107.32 106.83 1g90 s GLY 41 Ca 0.19 -1.05 0.06 0.00 0.00 0.00 0.00 44.72 43.93 1g90 s GLY 41 CO 0.00 -1.10 -0.16 -0.32 0.00 0.00 0.00 173.10 171.53 1g90 s GLY 42 N -2.05 1.04 -0.25 0.20 0.00 0.36 -0.45 107.32 106.17 1g90 s GLY 42 Ca 0.00 -1.18 -0.02 0.00 0.00 0.00 0.00 44.72 43.53 1g90 s GLY 42 CO 0.01 -1.21 0.31 -0.19 0.00 0.00 0.00 173.10 172.02 1g90 s TYR 43 N -1.60 -0.58 0.01 1.90 2.02 0.50 -0.20 117.35 119.41 1g90 s TYR 43 Ca 0.04 0.28 0.08 0.00 -0.37 0.00 0.00 57.07 57.10 1g90 s TYR 43 Cb -0.08 -0.26 -0.02 0.00 -0.40 0.00 0.00 41.96 41.20 1g90 s TYR 43 CO 0.03 -0.78 -0.23 -1.14 -1.57 0.00 0.00 175.55 171.86 1g90 s GLN 44 N 2.43 1.71 0.00 -0.62 0.74 0.20 -0.22 119.66 123.90 1g90 s GLN 44 Ca 0.10 -0.90 0.00 0.00 0.05 0.00 0.00 55.36 54.60 1g90 s GLN 44 Cb -0.15 -1.75 0.00 0.00 1.10 0.00 0.00 33.01 32.22 1g90 s GLN 44 CO -0.22 0.47 0.00 1.55 -0.55 0.00 0.00 175.29 176.54 1g90 n VAL 45 N 2.20 0.00 -3.77 1.34 3.14 -1.23 -0.62 118.33 119.38 1g90 n VAL 45 Ca -0.16 -0.12 -0.08 0.00 -2.96 0.00 0.00 64.34 61.02 1g90 n VAL 45 Cb 0.52 0.56 -0.02 0.00 -1.06 0.00 0.00 33.84 33.85 1g90 n VAL 45 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1g90 s ASN 46 N -1.10 -0.32 0.07 6.55 2.20 -1.22 -4.81 114.94 116.31 1g90 s ASN 46 Ca 0.00 -0.50 0.19 0.00 -0.94 0.00 0.00 52.86 51.61 1g90 s ASN 46 Cb 0.00 0.70 0.79 0.00 -2.00 0.00 0.00 41.25 40.74 1g90 s ASN 46 CO 0.00 -1.26 1.60 -0.81 -2.94 0.00 0.00 177.10 173.68 1g90 n PRO 47 N -0.44 0.06 0.03 3.55 -0.04 -1.26 -3.33 135.00 133.57 1g90 n PRO 47 Ca -0.07 0.26 -0.20 0.00 -0.04 0.00 0.00 63.50 63.45 1g90 n PRO 47 Cb 0.60 -1.61 -0.14 0.00 -0.04 0.00 0.00 33.50 32.31 1g90 n PRO 47 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1g90 h TYR 48 N 0.00 0.53 -3.07 0.54 -1.99 -1.96 -3.36 116.97 107.66 1g90 h TYR 48 Ca 0.00 -0.39 -0.13 0.00 2.00 0.00 0.00 58.73 60.22 1g90 h TYR 48 Cb 0.33 -0.02 -0.21 0.00 2.00 0.00 0.00 36.73 38.83 1g90 h TYR 48 CO 0.00 1.64 -0.31 0.54 -0.00 0.00 0.00 178.16 180.03 1g90 s VAL 49 N -2.58 0.05 0.00 -2.88 0.11 -1.21 -1.33 120.40 112.56 1g90 s VAL 49 Ca -0.17 -0.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.48 1g90 s VAL 49 Cb 0.06 -0.56 0.00 0.00 -1.53 0.00 0.00 36.38 34.35 1g90 s VAL 49 CO 0.81 -0.22 0.00 0.61 -3.33 0.00 0.00 175.10 172.98 1g90 n GLY 50 N 1.64 2.46 3.22 6.54 0.00 0.31 -3.45 105.19 115.91 1g90 n GLY 50 Ca -0.20 -0.98 -0.13 0.00 0.00 0.00 0.00 46.02 44.72 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 -6.74 1.12 0.02 1.61 0.40 0.70 -0.46 117.98 114.62 1g90 s PHE 51 Ca 0.00 -1.02 -0.12 0.00 -0.60 0.00 0.00 56.93 55.19 1g90 s PHE 51 Cb 0.00 -0.64 0.01 0.00 0.51 0.00 0.00 43.02 42.91 1g90 s PHE 51 CO 0.00 -0.23 0.25 -1.83 0.70 0.00 0.00 175.22 174.11 1g90 s GLU 52 N -3.91 0.68 0.07 0.44 -1.05 0.14 -0.37 118.70 114.69 1g90 s GLU 52 Ca 0.22 -0.42 -0.12 0.00 -0.15 0.00 0.00 54.97 54.50 1g90 s GLU 52 Cb 0.06 0.29 0.02 0.00 -0.44 0.00 0.00 34.13 34.06 1g90 s GLU 52 CO 0.02 -0.19 0.28 -1.64 0.95 0.00 0.00 175.26 174.68 1g90 s MET 53 N -1.95 0.85 0.14 -4.83 -1.94 0.40 -0.21 119.30 111.77 1g90 s MET 53 Ca -0.10 -0.67 -0.24 0.00 -1.71 0.00 0.00 55.69 52.97 1g90 s MET 53 Cb -0.04 0.36 0.08 0.00 2.01 0.00 0.00 34.83 37.25 1g90 s MET 53 CO -0.00 -0.28 1.07 0.20 -0.01 0.00 0.00 175.02 176.00 1g90 s GLY 54 N -2.40 -0.02 0.02 -0.03 0.00 0.59 -0.11 107.32 105.37 1g90 s GLY 54 Ca -0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.56 1g90 s GLY 54 CO -0.07 2.11 0.03 -0.47 0.00 0.00 0.00 173.10 174.70 1g90 s TYR 55 N -2.38 0.21 0.04 1.90 5.04 0.29 -0.28 117.35 122.17 1g90 s TYR 55 Ca 0.20 -0.46 0.05 0.00 -2.44 0.00 0.00 57.07 54.42 1g90 s TYR 55 Cb -0.01 -0.16 -0.02 0.00 0.35 0.00 0.00 41.96 42.11 1g90 s TYR 55 CO 0.03 -0.25 -0.15 0.34 -1.34 0.00 0.00 175.55 174.18 1g90 s ASP 56 N -1.63 1.82 -0.05 4.32 2.15 0.32 -0.90 116.67 122.69 1g90 s ASP 56 Ca -0.13 -0.48 -0.02 0.00 0.43 0.00 0.00 52.55 52.35 1g90 s ASP 56 Cb -0.07 -0.12 0.04 0.00 -0.30 0.00 0.00 42.92 42.46 1g90 s ASP 56 CO -0.01 0.05 0.09 0.12 -0.17 0.00 0.00 175.17 175.25 1g90 s PHE 57 N -0.86 -0.02 -1.49 -5.34 5.36 -1.26 -1.10 117.98 113.27 1g90 s PHE 57 Ca 0.03 0.38 0.00 0.00 -0.96 0.00 0.00 56.93 56.37 1g90 s PHE 57 Cb -0.08 -0.40 0.00 0.00 -0.34 0.00 0.00 43.02 42.20 1g90 s PHE 57 CO 0.01 -0.21 0.00 1.28 -1.46 0.00 0.00 175.22 174.84 1g90 n LEU 58 N 5.26 -0.94 -0.70 6.12 4.77 0.61 -0.48 117.00 131.64 1g90 n LEU 58 Ca -0.04 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 1g90 n LEU 58 Cb 0.50 -2.24 0.00 0.00 -2.33 0.00 0.00 43.42 39.35 1g90 n LEU 58 CO 0.06 -0.81 0.00 0.61 -1.33 0.00 0.00 177.39 175.92 1g90 n GLY 59 N -0.18 0.83 3.66 -0.72 0.00 -1.26 -4.42 105.19 103.09 1g90 n GLY 59 Ca -0.14 -0.50 -0.28 0.00 0.00 0.00 0.00 46.02 45.11 1g90 n GLY 59 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1g90 n ARG 60 N -0.70 -4.01 -3.93 1.61 0.63 -0.87 -4.83 116.66 104.56 1g90 n ARG 60 Ca 0.00 0.51 -0.29 0.00 -0.92 0.00 0.00 57.85 57.15 1g90 n ARG 60 Cb 0.25 -5.29 -0.16 0.00 0.45 0.00 0.00 32.46 27.71 1g90 n ARG 60 CO 0.00 0.00 0.00 1.41 -2.51 0.00 0.00 177.63 176.53 1g90 s MET 61 N -6.34 1.68 0.46 -0.14 1.75 0.37 -4.97 119.30 112.11 1g90 s MET 61 Ca 0.54 -0.60 0.22 0.00 -1.25 0.00 0.00 55.69 54.59 1g90 s MET 61 Cb -0.28 -2.11 1.11 0.00 2.84 0.00 0.00 34.83 36.39 1g90 s MET 61 CO 0.66 -0.41 1.95 -1.00 -0.65 0.00 0.00 175.02 175.57 1g90 h PRO 62 N 8.07 0.00 -3.38 4.11 0.13 -1.94 -3.38 132.00 135.62 1g90 h PRO 62 Ca -0.27 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.85 1g90 h PRO 62 Cb 1.11 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.15 1g90 h PRO 62 CO 0.43 0.22 0.01 -0.47 -0.23 0.00 0.00 178.00 177.96 1g90 s TYR 63 N -4.10 0.04 -1.15 1.56 5.04 -1.26 -5.03 117.35 112.45 1g90 s TYR 63 Ca -0.02 -0.42 -0.15 0.00 -2.44 0.00 0.00 57.07 54.04 1g90 s TYR 63 Cb 0.13 0.37 -0.06 0.00 0.35 0.00 0.00 41.96 42.75 1g90 s TYR 63 CO 0.64 -1.00 2.20 1.17 -1.34 0.00 0.00 175.55 177.23 1g90 n LYS 64 N -0.37 2.36 0.00 4.97 0.00 -1.26 -4.77 118.16 119.09 1g90 n LYS 64 Ca -0.06 -2.09 0.00 0.00 0.00 0.00 0.00 58.31 56.16 1g90 n LYS 64 Cb 0.62 -2.95 0.00 0.00 0.00 0.00 0.00 35.03 32.70 1g90 n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1g90 n GLY 65 N 4.12 0.79 3.75 3.14 0.00 -1.26 -4.65 105.19 111.08 1g90 n GLY 65 Ca 0.54 0.47 -0.08 0.00 0.00 0.00 0.00 46.02 46.94 1g90 n GLY 65 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1g90 s SER 66 N -4.00 -0.08 0.00 1.61 0.15 -1.26 -5.08 113.70 105.04 1g90 s SER 66 Ca 0.00 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 55.79 1g90 s SER 66 Cb 0.00 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 1g90 s SER 66 CO 0.00 -1.35 0.00 1.33 1.20 0.00 0.00 173.24 174.42 1g90 n VAL 67 N -0.46 0.00 0.00 4.45 0.24 -1.26 -4.78 118.33 116.52 1g90 n VAL 67 Ca -0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.26 1g90 n VAL 67 Cb 0.60 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 1g90 n VAL 67 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1g90 n GLU 68 N 13.71 0.00 -2.35 7.34 -0.58 -1.26 -4.74 120.64 132.77 1g90 n GLU 68 Ca 0.00 0.00 -0.04 0.00 -0.42 0.00 0.00 57.16 56.70 1g90 n GLU 68 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.88 1g90 n GLU 68 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1g90 n ASN 69 N 1.02 -1.09 0.00 1.62 2.85 -1.26 -5.04 115.26 113.36 1g90 n ASN 69 Ca 0.00 -1.77 0.00 0.00 -0.11 0.00 0.00 54.58 52.70 1g90 n ASN 69 Cb 0.00 1.81 0.00 0.00 1.24 0.00 0.00 39.78 42.83 1g90 n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1g90 n GLY 70 N -0.26 0.04 0.23 8.20 0.00 -1.26 -4.98 105.19 107.16 1g90 n GLY 70 Ca -0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 1g90 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g90 h ALA 71 N 0.00 -0.88 -2.29 4.61 0.00 -1.96 -3.45 119.26 115.29 1g90 h ALA 71 Ca 0.00 -0.12 -0.50 0.00 0.00 0.00 0.00 54.91 54.29 1g90 h ALA 71 Cb 0.00 0.22 0.17 0.00 0.00 0.00 0.00 17.79 18.17 1g90 h ALA 71 CO 0.00 -0.84 0.23 -0.47 0.00 0.00 0.00 179.25 178.17 1g90 s TYR 72 N -3.76 2.05 0.10 0.00 5.04 -1.26 -4.73 117.35 114.79 1g90 s TYR 72 Ca -0.08 1.48 -0.26 0.00 -2.44 0.00 0.00 57.07 55.77 1g90 s TYR 72 Cb 0.01 -3.18 0.08 0.00 0.35 0.00 0.00 41.96 39.22 1g90 s TYR 72 CO 0.24 -2.57 0.89 0.15 -1.34 0.00 0.00 175.55 172.93 1g90 s LYS 73 N -4.78 1.10 -0.02 4.97 1.02 -1.25 -4.84 119.74 115.94 1g90 s LYS 73 Ca 0.64 -0.53 0.01 0.00 0.02 0.00 0.00 55.97 56.11 1g90 s LYS 73 Cb -0.20 0.42 0.01 0.00 -0.52 0.00 0.00 37.83 37.55 1g90 s LYS 73 CO 0.58 -0.50 -0.03 0.00 -0.92 0.00 0.00 175.35 174.49 1g90 s ALA 74 N -3.30 0.40 0.16 5.17 0.00 -1.26 -2.84 121.76 120.08 1g90 s ALA 74 Ca 0.09 -0.03 -0.20 0.00 0.00 0.00 0.00 51.96 51.81 1g90 s ALA 74 Cb -0.01 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 22.93 1g90 s ALA 74 CO -0.03 0.01 0.55 -1.14 0.00 0.00 0.00 175.76 175.15 1g90 s GLN 75 N 0.49 1.27 0.01 0.00 0.74 0.22 -0.29 119.66 122.10 1g90 s GLN 75 Ca -0.05 -0.61 -0.29 0.00 0.05 0.00 0.00 55.36 54.46 1g90 s GLN 75 Cb -0.09 0.55 0.11 0.00 1.10 0.00 0.00 33.01 34.69 1g90 s GLN 75 CO -0.01 -0.54 1.17 0.20 -0.55 0.00 0.00 175.29 175.57 1g90 s GLY 76 N -2.79 -0.36 -0.00 2.59 0.00 -0.26 0.03 107.32 106.53 1g90 s GLY 76 Ca 0.03 0.68 -0.06 0.00 0.00 0.00 0.00 44.72 45.37 1g90 s GLY 76 CO -0.10 0.15 0.11 0.54 0.00 0.00 0.00 173.10 173.80 1g90 s VAL 77 N -2.68 0.08 -0.05 1.40 0.11 -0.08 -0.52 120.40 118.65 1g90 s VAL 77 Ca 0.13 -0.62 0.02 0.00 -2.93 0.00 0.00 61.98 58.57 1g90 s VAL 77 Cb 0.02 -0.37 0.02 0.00 -1.53 0.00 0.00 36.38 34.52 1g90 s VAL 77 CO -0.03 -0.34 -0.08 -1.10 -3.33 0.00 0.00 175.10 170.22 1g90 s GLN 78 N -1.19 1.18 0.13 1.54 -0.21 0.61 -0.78 119.66 120.95 1g90 s GLN 78 Ca -0.13 -0.24 0.11 0.00 0.02 0.00 0.00 55.36 55.12 1g90 s GLN 78 Cb -0.07 -1.06 -0.04 0.00 1.00 0.00 0.00 33.01 32.84 1g90 s GLN 78 CO 0.01 -0.03 -0.26 -0.51 -2.12 0.00 0.00 175.29 172.38 1g90 s LEU 79 N 0.76 2.33 -0.21 2.90 1.02 0.26 -0.30 118.68 125.44 1g90 s LEU 79 Ca -0.13 -0.75 -0.13 0.00 0.02 0.00 0.00 54.13 53.13 1g90 s LEU 79 Cb -0.15 -1.19 0.06 0.00 0.02 0.00 0.00 46.19 44.94 1g90 s LEU 79 CO 0.02 0.17 0.53 -0.89 0.02 0.00 0.00 176.35 176.19 1g90 s THR 80 N -1.11 -0.01 0.15 5.49 2.01 0.71 -0.36 115.64 122.51 1g90 s THR 80 Ca 0.14 0.04 -0.24 0.00 0.31 0.00 0.00 61.69 61.94 1g90 s THR 80 Cb -0.10 -0.76 -0.08 0.00 0.01 0.00 0.00 72.50 71.57 1g90 s THR 80 CO 0.06 0.02 0.74 0.00 -0.69 0.00 0.00 174.62 174.74 1g90 s ALA 81 N 1.23 3.48 -0.24 7.40 0.00 0.35 -0.69 121.76 133.29 1g90 s ALA 81 Ca -0.08 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1g90 s ALA 81 Cb -0.06 -2.89 0.04 0.00 0.00 0.00 0.00 23.12 20.20 1g90 s ALA 81 CO -0.12 0.31 -0.10 0.21 0.00 0.00 0.00 175.76 176.06 1g90 s LYS 82 N -1.15 2.66 -0.01 0.00 2.20 0.40 -0.64 119.74 123.19 1g90 s LYS 82 Ca 0.34 -1.08 0.01 0.00 -0.36 0.00 0.00 55.97 54.89 1g90 s LYS 82 Cb -0.22 -2.87 0.01 0.00 -1.51 0.00 0.00 37.83 33.23 1g90 s LYS 82 CO 0.25 -0.42 -0.04 -0.48 -0.36 0.00 0.00 175.35 174.30 1g90 s LEU 83 N 1.24 1.76 0.00 5.43 2.34 -0.62 -0.53 118.68 128.31 1g90 s LEU 83 Ca -0.02 -0.08 0.00 0.00 0.06 0.00 0.00 54.13 54.09 1g90 s LEU 83 Cb -0.17 -0.28 0.00 0.00 -0.56 0.00 0.00 46.19 45.18 1g90 s LEU 83 CO -0.06 0.01 0.00 0.61 -1.06 0.00 0.00 176.35 175.85 1g90 n GLY 84 N 3.33 -0.49 3.43 -3.48 0.00 -0.44 -0.11 105.19 107.44 1g90 n GLY 84 Ca -0.17 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.98 1g90 n GLY 84 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1g90 s TYR 85 N -4.00 -0.54 0.72 1.61 5.04 -0.05 -4.24 117.35 115.90 1g90 s TYR 85 Ca 0.00 0.49 -0.15 0.00 -2.44 0.00 0.00 57.07 54.96 1g90 s TYR 85 Cb 0.00 0.49 0.03 0.00 0.35 0.00 0.00 41.96 42.83 1g90 s TYR 85 CO 0.00 -0.77 1.22 -1.25 -1.34 0.00 0.00 175.55 173.40 1g90 s PRO 86 N -3.10 2.21 -0.10 4.97 0.04 -1.26 -0.77 135.00 136.99 1g90 s PRO 86 Ca -0.02 1.79 0.04 0.00 0.04 0.00 0.00 61.00 62.86 1g90 s PRO 86 Cb -0.01 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.60 1g90 s PRO 86 CO -0.07 -1.79 -0.03 -0.89 0.04 0.00 0.00 177.00 174.26 1g90 n ILE 87 N -2.59 0.62 -3.80 0.56 5.41 0.25 -4.83 119.36 114.99 1g90 n ILE 87 Ca 0.14 -0.31 -0.09 0.00 1.00 0.00 0.00 62.75 63.49 1g90 n ILE 87 Cb 0.50 -0.83 -0.03 0.00 -0.71 0.00 0.00 39.64 38.57 1g90 n ILE 87 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 1g90 s THR 88 N -2.22 0.01 0.65 1.39 2.01 -0.88 -5.00 115.64 111.60 1g90 s THR 88 Ca -0.10 -0.89 0.33 0.00 0.31 0.00 0.00 61.69 61.34 1g90 s THR 88 Cb 0.03 -1.81 0.35 0.00 0.01 0.00 0.00 72.50 71.09 1g90 s THR 88 CO 0.31 -0.03 2.06 0.44 -0.69 0.00 0.00 174.62 176.71 1g90 h ASP 89 N 2.09 0.00 0.55 3.53 5.19 -1.97 -0.04 116.42 125.78 1g90 h ASP 89 Ca -0.24 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 55.93 1g90 h ASP 89 Cb 1.26 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.77 1g90 h ASP 89 CO 0.30 0.00 -1.04 -0.78 -3.12 0.00 0.00 179.24 174.60 1g90 h ASP 90 N 0.00 0.39 -5.02 6.45 3.58 -1.94 -3.44 116.42 116.43 1g90 h ASP 90 Ca 0.03 -0.36 -0.06 0.00 0.42 0.00 0.00 57.03 57.06 1g90 h ASP 90 Cb 0.52 -0.12 -0.16 0.00 1.72 0.00 0.00 39.33 41.28 1g90 h ASP 90 CO -0.00 1.21 0.01 -1.48 -2.88 0.00 0.00 179.24 176.10 1g90 s LEU 91 N -7.37 0.02 0.17 2.28 0.05 -0.03 -0.29 118.68 113.51 1g90 s LEU 91 Ca -0.04 0.11 0.02 0.00 0.05 0.00 0.00 54.13 54.27 1g90 s LEU 91 Cb 0.09 2.06 -0.05 0.00 -2.05 0.00 0.00 46.19 46.24 1g90 s LEU 91 CO 0.86 -0.72 -0.00 -1.81 -0.55 0.00 0.00 176.35 174.12 1g90 s ASP 92 N -2.04 1.20 -0.09 1.48 1.11 0.61 -0.58 116.67 118.36 1g90 s ASP 92 Ca -0.05 -1.16 0.03 0.00 0.18 0.00 0.00 52.55 51.55 1g90 s ASP 92 Cb -0.01 0.12 0.01 0.00 1.07 0.00 0.00 42.92 44.11 1g90 s ASP 92 CO -0.03 -0.56 -0.18 -0.51 1.18 0.00 0.00 175.17 175.08 1g90 s ILE 93 N -3.65 1.59 0.05 0.77 -1.16 0.05 -1.32 121.20 117.52 1g90 s ILE 93 Ca 0.23 -0.74 0.01 0.00 -0.51 0.00 0.00 60.65 59.64 1g90 s ILE 93 Cb 0.06 -1.41 -0.03 0.00 0.61 0.00 0.00 42.46 41.69 1g90 s ILE 93 CO 0.03 0.46 -0.05 -0.31 -2.81 0.00 0.00 174.94 172.26 1g90 s TYR 94 N 0.58 0.54 -0.14 3.50 2.02 0.29 -0.87 117.35 123.28 1g90 s TYR 94 Ca -0.15 -0.68 -0.12 0.00 -0.37 0.00 0.00 57.07 55.75 1g90 s TYR 94 Cb -0.17 -0.35 -0.05 0.00 -0.40 0.00 0.00 41.96 41.00 1g90 s TYR 94 CO 0.05 -0.18 0.26 0.99 -1.57 0.00 0.00 175.55 175.10 1g90 s THR 95 N -2.21 5.32 -0.43 -0.71 2.01 0.85 -0.54 115.64 119.92 1g90 s THR 95 Ca -0.05 0.49 -0.16 0.00 0.31 0.00 0.00 61.69 62.27 1g90 s THR 95 Cb -0.04 -3.59 0.03 0.00 0.01 0.00 0.00 72.50 68.91 1g90 s THR 95 CO -0.03 0.45 0.35 -0.13 -0.69 0.00 0.00 174.62 174.57 1g90 s ARG 96 N 0.10 3.00 -0.45 4.92 3.00 0.43 -1.58 118.95 128.37 1g90 s ARG 96 Ca 0.16 -1.04 -0.16 0.00 0.00 0.00 0.00 55.73 54.69 1g90 s ARG 96 Cb -0.13 -4.01 0.05 0.00 0.00 0.00 0.00 34.95 30.86 1g90 s ARG 96 CO 0.04 -0.83 0.39 -1.17 0.00 0.00 0.00 175.30 173.73 1g90 s LEU 97 N 1.77 5.28 -0.06 2.53 0.20 0.18 -0.28 118.68 128.30 1g90 s LEU 97 Ca 0.06 -1.05 -0.03 0.00 0.69 0.00 0.00 54.13 53.81 1g90 s LEU 97 Cb -0.20 -2.23 -0.04 0.00 -0.43 0.00 0.00 46.19 43.29 1g90 s LEU 97 CO 0.10 -0.60 0.07 -0.83 -0.29 0.00 0.00 176.35 174.80 1g90 s GLY 98 N 2.19 2.00 -0.41 7.98 0.00 0.54 -0.49 107.32 119.12 1g90 s GLY 98 Ca 0.07 -0.78 0.03 0.00 0.00 0.00 0.00 44.72 44.04 1g90 s GLY 98 CO 0.09 -0.58 0.15 -0.32 0.00 0.00 0.00 173.10 172.44 1g90 s GLY 99 N -1.24 2.04 0.10 0.20 0.00 0.51 -1.05 107.32 107.88 1g90 s GLY 99 Ca 0.17 -2.76 0.03 0.00 0.00 0.00 0.00 44.72 42.17 1g90 s GLY 99 CO 0.07 1.06 -0.08 -3.16 0.00 0.00 0.00 173.10 170.99 1g90 s MET 100 N 0.46 0.83 -0.00 2.90 0.23 -1.25 -0.57 119.30 121.90 1g90 s MET 100 Ca 0.14 -1.21 -0.13 0.00 -1.03 0.00 0.00 55.69 53.46 1g90 s MET 100 Cb -0.22 -0.39 0.02 0.00 -1.53 0.00 0.00 34.83 32.70 1g90 s MET 100 CO -0.06 0.04 0.26 0.54 -2.03 0.00 0.00 175.02 173.77 1g90 s VAL 101 N -2.87 0.07 0.22 5.16 0.11 0.04 -3.16 120.40 119.96 1g90 s VAL 101 Ca 0.07 -0.55 0.11 0.00 -2.93 0.00 0.00 61.98 58.68 1g90 s VAL 101 Cb 0.00 -0.59 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1g90 s VAL 101 CO -0.02 -0.30 -0.16 0.12 -3.33 0.00 0.00 175.10 171.40 1g90 s PHE 102 N -1.44 2.44 -0.01 1.54 5.36 0.44 -0.90 117.98 125.40 1g90 s PHE 102 Ca -0.13 -0.30 -0.05 0.00 -0.96 0.00 0.00 56.93 55.49 1g90 s PHE 102 Cb -0.05 -1.16 0.00 0.00 -0.34 0.00 0.00 43.02 41.47 1g90 s PHE 102 CO 0.03 0.57 0.10 0.50 -1.46 0.00 0.00 175.22 174.95 1g90 s ARG 103 N -3.01 0.31 -0.09 10.12 3.52 0.10 -0.52 118.95 129.38 1g90 s ARG 103 Ca 0.25 -0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.59 1g90 s ARG 103 Cb -0.07 0.13 0.05 0.00 -1.56 0.00 0.00 34.95 33.50 1g90 s ARG 103 CO 0.14 -0.06 0.19 0.00 -0.81 0.00 0.00 175.30 174.75 1g90 s ALA 104 N -0.83 -0.30 -0.53 6.12 0.00 0.38 -0.61 121.76 126.00 1g90 s ALA 104 Ca -0.09 0.70 -0.27 0.00 0.00 0.00 0.00 51.96 52.29 1g90 s ALA 104 Cb -0.05 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 1g90 s ALA 104 CO 0.01 -0.50 1.71 -0.51 0.00 0.00 0.00 175.76 176.46 1g90 s ASP 105 N 2.11 5.69 -0.02 0.00 1.01 -1.13 -4.47 116.67 119.85 1g90 s ASP 105 Ca 0.00 0.55 -0.08 0.00 0.71 0.00 0.00 52.55 53.74 1g90 s ASP 105 Cb -0.12 -2.53 0.01 0.00 1.01 0.00 0.00 42.92 41.29 1g90 s ASP 105 CO -0.07 -2.01 0.17 0.42 0.21 0.00 0.00 175.17 173.90 1g90 s THR 106 N 7.60 0.05 0.05 -1.27 -4.23 -1.26 -3.90 115.64 112.68 1g90 s THR 106 Ca 0.65 -0.43 0.30 0.00 -1.18 0.00 0.00 61.69 61.03 1g90 s THR 106 Cb -0.14 -0.39 0.34 0.00 1.34 0.00 0.00 72.50 73.64 1g90 s THR 106 CO 0.25 -0.24 1.89 0.50 -0.54 0.00 0.00 174.62 176.49 1g90 h LYS 107 N 4.78 0.00 0.00 3.99 3.11 -1.91 -3.47 116.57 123.08 1g90 h LYS 107 Ca -0.29 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.55 1g90 h LYS 107 Cb 1.19 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.42 1g90 h LYS 107 CO 0.40 0.07 0.00 0.45 -2.81 0.00 0.00 179.45 177.55 1g90 n SER 108 N -3.18 -3.59 0.03 4.20 2.88 -1.26 -4.03 113.62 108.67 1g90 n SER 108 Ca 0.01 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.42 1g90 n SER 108 Cb 0.37 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.74 1g90 n SER 108 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1g90 h ASN 109 N 0.00 -0.05 0.00 -3.46 2.35 -1.83 -3.48 115.58 109.12 1g90 h ASN 109 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 56.30 55.44 1g90 h ASN 109 Cb 0.00 0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.38 1g90 h ASN 109 CO 0.00 0.28 0.00 0.55 -1.65 0.00 0.00 177.43 176.61 1g90 n VAL 110 N -4.96 0.00 -0.08 2.81 3.14 -1.26 -4.33 118.33 113.65 1g90 n VAL 110 Ca -0.08 0.00 -0.07 0.00 -2.96 0.00 0.00 64.34 61.23 1g90 n VAL 110 Cb 0.19 0.00 0.11 0.00 -1.06 0.00 0.00 33.84 33.08 1g90 n VAL 110 CO 0.00 0.00 0.00 0.10 -6.46 0.00 0.00 176.83 170.47 1g90 h TYR 111 N 0.00 0.85 -1.79 1.45 -0.00 -1.93 -3.26 116.97 112.29 1g90 h TYR 111 Ca 0.00 -0.18 -0.61 0.00 0.00 0.00 0.00 58.73 57.94 1g90 h TYR 111 Cb 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 36.73 36.40 1g90 h TYR 111 CO 0.00 0.88 1.18 0.20 -0.00 0.00 0.00 178.16 180.41 1g90 s GLY 112 N -3.83 1.33 -0.97 0.10 0.00 -1.26 -4.95 107.32 97.73 1g90 s GLY 112 Ca -0.09 -2.14 -0.19 0.00 0.00 0.00 0.00 44.72 42.30 1g90 s GLY 112 CO 0.83 2.48 2.02 0.28 0.00 0.00 0.00 173.10 178.71 1g90 n LYS 113 N 8.39 1.91 -4.06 2.90 5.02 -1.23 -4.14 118.16 126.95 1g90 n LYS 113 Ca 0.21 -2.06 -0.14 0.00 -2.02 0.00 0.00 58.31 54.31 1g90 n LYS 113 Cb 0.50 -3.02 -0.03 0.00 -0.02 0.00 0.00 35.03 32.46 1g90 n LYS 113 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1g90 s ASN 114 N 4.44 0.82 -0.49 4.39 2.47 -1.26 -5.05 114.94 120.27 1g90 s ASN 114 Ca 0.54 -1.45 -0.15 0.00 0.42 0.00 0.00 52.86 52.23 1g90 s ASN 114 Cb 0.14 0.68 0.02 0.00 -1.45 0.00 0.00 41.25 40.65 1g90 s ASN 114 CO 0.06 -1.34 0.62 1.57 -3.72 0.00 0.00 177.10 174.29 1g90 n HIS 115 N -0.56 -3.34 0.00 0.43 -0.00 -1.26 -4.64 115.22 105.85 1g90 n HIS 115 Ca -0.00 1.34 0.00 0.00 0.46 0.00 0.00 57.72 59.52 1g90 n HIS 115 Cb 0.61 -3.93 0.00 0.00 -0.12 0.00 0.00 29.99 26.55 1g90 n HIS 115 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1g90 n ASP 116 N -0.58 0.00 -4.72 0.26 2.03 -1.26 -4.59 116.55 107.68 1g90 n ASP 116 Ca 0.08 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.08 1g90 n ASP 116 Cb 0.49 0.00 0.13 0.00 -0.72 0.00 0.00 41.12 41.01 1g90 n ASP 116 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1g90 s THR 117 N -0.76 2.73 0.08 5.18 -1.32 -1.26 -0.47 115.64 119.81 1g90 s THR 117 Ca 0.00 0.24 -0.25 0.00 -1.21 0.00 0.00 61.69 60.47 1g90 s THR 117 Cb 0.00 -2.51 0.09 0.00 -1.51 0.00 0.00 72.50 68.56 1g90 s THR 117 CO 0.00 -0.31 1.17 -0.83 -2.21 0.00 0.00 174.62 172.45 1g90 s GLY 118 N -3.03 -0.00 0.35 6.08 0.00 0.33 -4.90 107.32 106.15 1g90 s GLY 118 Ca 0.64 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 45.20 1g90 s GLY 118 CO 0.57 4.27 0.00 -0.62 0.00 0.00 0.00 173.10 177.32 1g90 n VAL 119 N -0.82 0.00 -3.96 1.40 0.31 -1.26 -0.42 118.33 113.58 1g90 n VAL 119 Ca 0.01 0.16 -0.10 0.00 -0.01 0.00 0.00 64.34 64.40 1g90 n VAL 119 Cb 0.59 -0.60 -0.03 0.00 -0.91 0.00 0.00 33.84 32.89 1g90 n VAL 119 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1g90 s SER 120 N -6.75 0.22 0.87 4.52 1.04 -1.19 -4.75 113.70 107.66 1g90 s SER 120 Ca 0.00 -1.12 -0.12 0.00 0.48 0.00 0.00 55.95 55.19 1g90 s SER 120 Cb 0.00 0.70 0.10 0.00 0.10 0.00 0.00 66.02 66.92 1g90 s SER 120 CO 0.00 -1.36 1.04 -0.81 0.98 0.00 0.00 173.24 173.09 1g90 n PRO 121 N -0.49 -0.15 -3.52 4.02 -0.04 -1.23 -3.80 135.00 129.79 1g90 n PRO 121 Ca -0.03 0.03 -0.03 0.00 -0.04 0.00 0.00 63.50 63.42 1g90 n PRO 121 Cb 0.61 -2.30 0.02 0.00 -0.04 0.00 0.00 33.50 31.78 1g90 n PRO 121 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 1g90 n VAL 122 N -3.71 0.00 -4.16 0.52 3.14 -0.22 -4.84 118.33 109.07 1g90 n VAL 122 Ca 0.12 -0.55 -0.10 0.00 -2.96 0.00 0.00 64.34 60.85 1g90 n VAL 122 Cb 0.51 0.70 -0.10 0.00 -1.06 0.00 0.00 33.84 33.89 1g90 n VAL 122 CO 0.00 0.00 0.00 0.72 -6.46 0.00 0.00 176.83 171.09 1g90 s PHE 123 N -2.70 0.91 0.08 1.45 -0.71 -1.26 -0.34 117.98 115.41 1g90 s PHE 123 Ca 0.19 -1.18 -0.06 0.00 -1.04 0.00 0.00 56.93 54.83 1g90 s PHE 123 Cb -0.03 -0.52 -0.01 0.00 -1.21 0.00 0.00 43.02 41.25 1g90 s PHE 123 CO 0.06 -0.45 0.13 0.00 -1.34 0.00 0.00 175.22 173.61 1g90 s ALA 124 N -3.96 0.04 0.06 1.99 0.00 0.62 -4.71 121.76 115.79 1g90 s ALA 124 Ca 0.23 -0.84 0.08 0.00 0.00 0.00 0.00 51.96 51.43 1g90 s ALA 124 Cb 0.07 0.47 -0.03 0.00 0.00 0.00 0.00 23.12 23.63 1g90 s ALA 124 CO 0.01 -0.48 -0.21 0.20 0.00 0.00 0.00 175.76 175.28 1g90 s GLY 125 N -2.89 1.17 0.00 0.00 0.00 -0.25 -0.42 107.32 104.92 1g90 s GLY 125 Ca 0.07 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.68 1g90 s GLY 125 CO -0.09 -1.05 0.00 0.61 0.00 0.00 0.00 173.10 172.56 1g90 n GLY 126 N 1.68 -0.72 3.38 0.20 0.00 0.30 -0.52 105.19 109.50 1g90 n GLY 126 Ca -0.18 -0.66 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 1g90 n GLY 126 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g90 s VAL 127 N -3.00 2.00 0.03 1.61 1.01 0.67 -0.55 120.40 122.18 1g90 s VAL 127 Ca 0.00 -2.19 0.02 0.00 0.00 0.00 0.00 61.98 59.82 1g90 s VAL 127 Cb 0.00 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 1g90 s VAL 127 CO 0.00 -0.45 -0.07 -0.70 0.00 0.00 0.00 175.10 173.88 1g90 s GLU 128 N -3.35 0.52 -0.17 2.72 2.12 -0.43 -1.65 118.70 118.47 1g90 s GLU 128 Ca 0.23 -0.58 -0.07 0.00 0.36 0.00 0.00 54.97 54.91 1g90 s GLU 128 Cb -0.04 -0.38 0.07 0.00 0.26 0.00 0.00 34.13 34.05 1g90 s GLU 128 CO 0.09 0.08 0.36 -0.47 -0.54 0.00 0.00 175.26 174.79 1g90 s TYR 129 N -0.94 -0.62 -0.45 5.30 5.04 0.04 -0.29 117.35 125.43 1g90 s TYR 129 Ca -0.05 1.27 0.03 0.00 -2.44 0.00 0.00 57.07 55.88 1g90 s TYR 129 Cb -0.07 0.18 0.16 0.00 0.35 0.00 0.00 41.96 42.58 1g90 s TYR 129 CO 0.00 -0.40 0.34 0.00 -1.34 0.00 0.00 175.55 174.15 1g90 s ALA 130 N 2.20 1.79 0.50 3.97 0.00 0.61 -0.43 121.76 130.40 1g90 s ALA 130 Ca -0.03 -2.60 0.21 0.00 0.00 0.00 0.00 51.96 49.53 1g90 s ALA 130 Cb -0.11 -1.71 1.26 0.00 0.00 0.00 0.00 23.12 22.56 1g90 s ALA 130 CO -0.11 -2.02 2.00 0.97 0.00 0.00 0.00 175.76 176.60 1g90 h ILE 131 N 4.71 0.81 -3.93 0.00 2.10 -1.82 -3.41 117.51 115.96 1g90 h ILE 131 Ca 0.19 -0.05 -0.23 0.00 1.08 0.00 0.00 64.86 65.86 1g90 h ILE 131 Cb 0.89 0.66 -0.18 0.00 -1.09 0.00 0.00 36.82 37.11 1g90 h ILE 131 CO 0.42 0.02 -0.71 0.42 -1.08 0.00 0.00 178.15 177.23 1g90 s THR 132 N -5.15 0.54 -1.38 2.19 -4.23 -1.26 -4.98 115.64 101.37 1g90 s THR 132 Ca -0.06 -1.49 -0.09 0.00 -1.18 0.00 0.00 61.69 58.87 1g90 s THR 132 Cb 0.19 -1.11 -0.07 0.00 1.34 0.00 0.00 72.50 72.85 1g90 s THR 132 CO 0.73 -0.65 2.64 -0.81 -0.54 0.00 0.00 174.62 175.99 1g90 n PRO 133 N 0.72 3.11 0.00 3.99 -0.04 -1.26 -2.93 135.00 138.59 1g90 n PRO 133 Ca -0.18 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.30 1g90 n PRO 133 Cb 0.58 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 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 3.99 0.00 -4.41 0.54 0.28 -1.26 -5.01 120.64 114.76 1g90 n GLU 134 Ca 0.66 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 57.37 1g90 n GLU 134 Cb 0.21 -0.30 -0.13 0.00 1.43 0.00 0.00 31.44 32.66 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 -1.00 2.38 -0.20 3.84 -1.16 -1.15 -0.85 121.20 123.06 1g90 s ILE 135 Ca 0.00 -1.68 -0.04 0.00 -0.51 0.00 0.00 60.65 58.42 1g90 s ILE 135 Cb 0.00 -2.06 0.08 0.00 0.61 0.00 0.00 42.46 41.10 1g90 s ILE 135 CO 0.00 0.11 0.17 0.00 -2.81 0.00 0.00 174.94 172.41 1g90 s ALA 136 N -1.06 0.03 0.16 1.50 0.00 0.73 -4.39 121.76 118.74 1g90 s ALA 136 Ca 0.15 -0.05 -0.07 0.00 0.00 0.00 0.00 51.96 51.99 1g90 s ALA 136 Cb -0.10 -1.23 -0.06 0.00 0.00 0.00 0.00 23.12 21.72 1g90 s ALA 136 CO 0.07 -1.24 0.44 0.99 0.00 0.00 0.00 175.76 176.02 1g90 s THR 137 N 2.24 5.07 0.08 0.00 2.01 0.43 -0.38 115.64 125.09 1g90 s THR 137 Ca 0.05 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.33 1g90 s THR 137 Cb -0.16 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 1g90 s THR 137 CO -0.13 0.05 -0.06 0.00 -0.69 0.00 0.00 174.62 173.79 1g90 s ARG 138 N -2.56 0.73 -0.23 4.92 3.03 0.42 -0.78 118.95 124.48 1g90 s ARG 138 Ca 0.42 -1.18 -0.08 0.00 2.03 0.00 0.00 55.73 56.92 1g90 s ARG 138 Cb -0.12 -0.15 0.10 0.00 -1.03 0.00 0.00 34.95 33.75 1g90 s ARG 138 CO 0.22 -0.02 0.48 -1.17 -1.13 0.00 0.00 175.30 173.69 1g90 s LEU 139 N -2.69 -0.80 0.04 -1.89 2.96 -0.66 -0.96 118.68 114.69 1g90 s LEU 139 Ca 0.06 1.13 -0.02 0.00 -0.22 0.00 0.00 54.13 55.08 1g90 s LEU 139 Cb 0.02 1.62 -0.03 0.00 0.50 0.00 0.00 46.19 48.31 1g90 s LEU 139 CO -0.04 -0.23 0.01 -1.83 -1.32 0.00 0.00 176.35 172.94 1g90 s GLU 140 N 2.70 0.55 0.07 1.98 1.03 0.42 -0.23 118.70 125.21 1g90 s GLU 140 Ca -0.02 -0.95 0.03 0.00 0.03 0.00 0.00 54.97 54.06 1g90 s GLU 140 Cb -0.12 0.20 -0.03 0.00 -0.80 0.00 0.00 34.13 33.38 1g90 s GLU 140 CO -0.15 -0.11 -0.10 -0.47 -1.33 0.00 0.00 175.26 173.10 1g90 s TYR 141 N -3.03 0.93 0.07 4.83 6.14 0.32 -0.60 117.35 126.00 1g90 s TYR 141 Ca -0.01 -0.59 -0.07 0.00 0.64 0.00 0.00 57.07 57.04 1g90 s TYR 141 Cb 0.01 -0.53 -0.01 0.00 0.42 0.00 0.00 41.96 41.86 1g90 s TYR 141 CO -0.07 -0.04 0.14 1.14 0.64 0.00 0.00 175.55 177.36 1g90 s GLN 142 N -2.28 0.74 0.13 4.97 -2.07 0.45 -1.09 119.66 120.51 1g90 s GLN 142 Ca -0.01 -0.92 -0.08 0.00 -1.82 0.00 0.00 55.36 52.54 1g90 s GLN 142 Cb -0.06 0.29 -0.01 0.00 -1.09 0.00 0.00 33.01 32.14 1g90 s GLN 142 CO 0.00 -0.21 0.22 0.12 -1.32 0.00 0.00 175.29 174.10 1g90 s PHE 143 N -3.46 0.39 -0.96 9.60 5.36 -1.26 -0.86 117.98 126.79 1g90 s PHE 143 Ca 0.02 -0.78 -0.12 0.00 -0.96 0.00 0.00 56.93 55.10 1g90 s PHE 143 Cb 0.04 -0.12 0.01 0.00 -0.34 0.00 0.00 43.02 42.61 1g90 s PHE 143 CO -0.09 -0.63 0.66 2.41 -1.46 0.00 0.00 175.22 176.11 1g90 n THR 144 N -0.14 -4.17 -1.03 0.12 -1.04 -1.26 -4.94 114.28 101.82 1g90 n THR 144 Ca -0.10 -0.31 -0.29 0.00 -2.04 0.00 0.00 64.05 61.31 1g90 n THR 144 Cb 0.63 -3.34 0.18 0.00 -1.82 0.00 0.00 70.33 65.98 1g90 n THR 144 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1g90 s ASN 145 N -3.19 2.61 -1.48 8.00 3.84 -1.26 -4.89 114.94 118.57 1g90 s ASN 145 Ca 0.19 1.42 -0.11 0.00 0.21 0.00 0.00 52.86 54.58 1g90 s ASN 145 Cb -0.09 -2.10 -0.06 0.00 -0.55 0.00 0.00 41.25 38.44 1g90 s ASN 145 CO 0.90 -3.17 2.68 0.59 -2.79 0.00 0.00 177.10 175.30 1g90 n ASN 146 N -4.23 7.08 -3.83 -4.21 3.02 -1.26 -4.79 115.26 107.03 1g90 n ASN 146 Ca 0.06 -2.60 -0.10 0.00 -0.03 0.00 0.00 54.58 51.91 1g90 n ASN 146 Cb 0.56 -1.51 -0.06 0.00 -0.61 0.00 0.00 39.78 38.16 1g90 n ASN 146 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1g90 s ILE 147 N 2.63 0.06 0.00 2.41 1.10 -1.26 -4.88 121.20 121.26 1g90 s ILE 147 Ca 0.61 -1.05 0.00 0.00 -0.51 0.00 0.00 60.65 59.70 1g90 s ILE 147 Cb 0.16 -1.63 0.00 0.00 0.15 0.00 0.00 42.46 41.14 1g90 s ILE 147 CO -0.06 -0.26 0.00 0.61 -2.11 0.00 0.00 174.94 173.12 1g90 n GLY 148 N -0.25 -1.60 3.39 1.50 0.00 -1.26 -5.02 105.19 101.95 1g90 n GLY 148 Ca -0.10 -1.34 -0.16 0.00 0.00 0.00 0.00 46.02 44.42 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 -4.00 1.00 -0.03 1.61 1.47 -1.26 -5.09 116.67 110.36 1g90 s ASP 149 Ca 0.00 -1.53 0.05 0.00 1.18 0.00 0.00 52.55 52.26 1g90 s ASP 149 Cb 0.00 0.59 0.10 0.00 -0.34 0.00 0.00 42.92 43.27 1g90 s ASP 149 CO 0.00 -1.15 1.06 0.00 0.68 0.00 0.00 175.17 175.76 1g90 n ALA 150 N -0.53 2.09 -0.02 2.11 0.00 -1.26 -4.62 120.51 118.29 1g90 n ALA 150 Ca 0.03 -1.38 0.01 0.00 0.00 0.00 0.00 53.44 52.11 1g90 n ALA 150 Cb 0.62 -0.13 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 1g90 n ALA 150 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1g90 n HIS 151 N -0.60 0.00 -0.68 0.00 -0.00 -1.26 -5.03 115.22 107.65 1g90 n HIS 151 Ca 0.05 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.48 1g90 n HIS 151 Cb 0.36 -0.27 0.23 0.00 -0.00 0.00 0.00 29.99 30.32 1g90 n HIS 151 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1g90 s THR 152 N -2.44 2.04 0.16 3.57 -1.32 -1.26 -5.09 115.64 111.30 1g90 s THR 152 Ca -0.03 0.01 -0.13 0.00 -1.21 0.00 0.00 61.69 60.33 1g90 s THR 152 Cb 0.04 -2.16 0.01 0.00 -1.51 0.00 0.00 72.50 68.88 1g90 s THR 152 CO 0.34 -0.02 0.38 -0.51 -2.21 0.00 0.00 174.62 172.60 1g90 s ILE 153 N -2.58 0.06 -3.66 5.08 2.07 -1.26 -5.10 121.20 115.81 1g90 s ILE 153 Ca 0.68 -0.97 0.00 0.00 -1.41 0.00 0.00 60.65 58.94 1g90 s ILE 153 Cb -0.24 -1.54 0.00 0.00 0.13 0.00 0.00 42.46 40.82 1g90 s ILE 153 CO 0.63 -0.29 0.00 0.61 -1.91 0.00 0.00 174.94 173.98 1g90 n GLY 154 N -0.24 -0.34 3.77 1.50 0.00 -1.26 -5.11 105.19 103.51 1g90 n GLY 154 Ca -0.11 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 44.80 1g90 n GLY 154 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1g90 s THR 155 N -4.00 3.27 -0.26 2.61 -1.32 -1.26 -4.99 115.64 109.70 1g90 s THR 155 Ca 0.00 0.46 -0.29 0.00 -1.21 0.00 0.00 61.69 60.66 1g90 s THR 155 Cb 0.00 -2.95 -0.02 0.00 -1.51 0.00 0.00 72.50 68.02 1g90 s THR 155 CO 0.00 -0.49 1.70 -0.13 -2.21 0.00 0.00 174.62 173.48 1g90 s ARG 156 N -4.66 3.62 0.12 7.08 0.52 -1.26 -4.90 118.95 119.46 1g90 s ARG 156 Ca 0.63 1.59 -0.15 0.00 -0.52 0.00 0.00 55.73 57.28 1g90 s ARG 156 Cb -0.18 -4.10 -0.04 0.00 0.52 0.00 0.00 34.95 31.15 1g90 s ARG 156 CO 0.52 -1.51 1.53 -1.00 0.02 0.00 0.00 175.30 174.86 1g90 h PRO 157 N 11.56 0.69 -6.82 3.54 0.13 -1.94 -3.46 132.00 135.70 1g90 h PRO 157 Ca -0.34 -0.25 -0.55 0.00 -0.87 0.00 0.00 66.00 63.99 1g90 h PRO 157 Cb 1.16 -0.05 -0.23 0.00 0.13 0.00 0.00 31.00 32.02 1g90 h PRO 157 CO 1.01 0.83 -0.85 -0.25 -0.23 0.00 0.00 178.00 178.51 1g90 n ASP 158 N -4.42 0.21 -4.51 1.44 9.92 -1.26 -4.57 116.55 113.35 1g90 n ASP 158 Ca -0.02 -1.13 -0.43 0.00 -0.53 0.00 0.00 54.79 52.69 1g90 n ASP 158 Cb 0.33 -1.41 -0.06 0.00 -0.64 0.00 0.00 41.12 39.34 1g90 n ASP 158 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 1g90 s ASN 159 N -3.91 6.34 0.69 -2.24 0.01 -1.26 -5.00 114.94 109.57 1g90 s ASN 159 Ca 0.19 -0.37 -0.09 0.00 -0.71 0.00 0.00 52.86 51.89 1g90 s ASN 159 Cb -0.11 -2.37 0.04 0.00 0.41 0.00 0.00 41.25 39.22 1g90 s ASN 159 CO 0.89 -0.96 1.03 -0.83 -1.51 0.00 0.00 177.10 175.72 1g90 s GLY 160 N 2.39 1.63 0.05 0.66 0.00 -1.26 -4.34 107.32 106.45 1g90 s GLY 160 Ca 0.26 -0.66 -0.02 0.00 0.00 0.00 0.00 44.72 44.29 1g90 s GLY 160 CO 0.19 -0.29 0.00 1.06 0.00 0.00 0.00 173.10 174.06 1g90 s MET 161 N -5.26 0.58 0.09 2.90 1.00 -0.04 -1.07 119.30 117.50 1g90 s MET 161 Ca 0.58 -1.05 -0.01 0.00 0.00 0.00 0.00 55.69 55.21 1g90 s MET 161 Cb -0.11 0.21 -0.04 0.00 0.00 0.00 0.00 34.83 34.89 1g90 s MET 161 CO 0.47 -0.12 0.01 -0.48 0.00 0.00 0.00 175.02 174.91 1g90 s LEU 162 N -2.58 2.14 0.08 -0.03 0.05 0.22 -0.41 118.68 118.15 1g90 s LEU 162 Ca 0.02 -1.08 0.02 0.00 0.05 0.00 0.00 54.13 53.14 1g90 s LEU 162 Cb 0.04 0.27 -0.04 0.00 -2.05 0.00 0.00 46.19 44.41 1g90 s LEU 162 CO -0.08 -0.66 -0.08 -0.44 -0.55 0.00 0.00 176.35 174.54 1g90 s SER 163 N -2.97 1.16 0.09 1.48 0.01 0.23 -1.42 113.70 112.27 1g90 s SER 163 Ca 0.14 -0.82 -0.12 0.00 1.31 0.00 0.00 55.95 56.47 1g90 s SER 163 Cb 0.08 0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.37 1g90 s SER 163 CO -0.05 -0.33 0.27 -1.48 0.41 0.00 0.00 173.24 172.06 1g90 s LEU 164 N -2.46 1.04 0.21 2.44 -0.00 -0.37 -0.44 118.68 119.10 1g90 s LEU 164 Ca 0.04 -0.45 -0.23 0.00 -0.00 0.00 0.00 54.13 53.49 1g90 s LEU 164 Cb -0.01 1.31 0.04 0.00 -0.00 0.00 0.00 46.19 47.53 1g90 s LEU 164 CO -0.02 -0.73 0.85 -0.83 -0.00 0.00 0.00 176.35 175.63 1g90 s GLY 165 N -2.64 -0.16 -0.01 -3.48 0.00 -0.13 -0.24 107.32 100.67 1g90 s GLY 165 Ca 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 44.72 44.65 1g90 s GLY 165 CO -0.09 -0.03 -0.00 0.14 0.00 0.00 0.00 173.10 173.12 1g90 s VAL 166 N -3.55 0.06 0.17 1.40 1.01 -0.28 -0.43 120.40 118.78 1g90 s VAL 166 Ca 0.12 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.07 1g90 s VAL 166 Cb -0.03 -0.10 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 1g90 s VAL 166 CO 0.05 0.05 0.21 -0.94 0.00 0.00 0.00 175.10 174.47 1g90 s SER 167 N 0.32 0.12 0.18 3.32 1.04 0.48 -1.20 113.70 117.97 1g90 s SER 167 Ca -0.03 -1.08 0.10 0.00 0.48 0.00 0.00 55.95 55.43 1g90 s SER 167 Cb -0.04 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.44 1g90 s SER 167 CO -0.01 -0.87 -0.17 -0.31 0.98 0.00 0.00 173.24 172.87 1g90 s TYR 168 N -4.03 2.47 0.41 5.02 1.51 -0.21 -0.19 117.35 122.32 1g90 s TYR 168 Ca 0.24 -0.29 -0.04 0.00 -1.01 0.00 0.00 57.07 55.97 1g90 s TYR 168 Cb 0.05 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.64 1g90 s TYR 168 CO 0.04 0.50 0.69 -0.98 -1.11 0.00 0.00 175.55 174.69 1g90 s ARG 169 N -2.71 3.57 0.32 -0.62 1.70 -0.03 -1.11 118.95 120.06 1g90 s ARG 169 Ca 0.22 0.06 -0.28 0.00 -0.47 0.00 0.00 55.73 55.26 1g90 s ARG 169 Cb -0.08 -2.49 -0.13 0.00 -0.57 0.00 0.00 34.95 31.68 1g90 s ARG 169 CO 0.12 -0.03 1.24 0.34 -1.08 0.00 0.00 175.30 175.89 1g90 n PHE 170 N -1.84 2.07 -1.95 5.89 -0.00 0.54 -4.91 117.46 117.27 1g90 n PHE 170 Ca -0.01 0.58 -0.06 0.00 -0.00 0.00 0.00 57.45 57.96 1g90 n PHE 170 Cb 0.55 -2.39 -0.06 0.00 -0.00 0.00 0.00 39.48 37.59 1g90 n PHE 170 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1g90 n GLY 171 N 0.95 0.43 3.60 7.13 0.00 -1.26 -4.87 105.19 111.18 1g90 n GLY 171 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 1g90 n GLY 171 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g90 s GLN 172 N 0.00 3.46 0.00 1.61 -0.21 -1.26 -0.68 119.66 122.58 1g90 s GLN 172 Ca 0.00 1.39 0.00 0.00 0.02 0.00 0.00 55.36 56.77 1g90 s GLN 172 Cb 0.00 -4.14 0.00 0.00 1.00 0.00 0.00 33.01 29.87 1g90 s GLN 172 CO 0.00 -1.71 0.00 0.41 -2.12 0.00 0.00 175.29 171.87 1g90 n GLY 173 N 5.24 1.89 0.13 3.09 0.00 -1.26 -4.86 105.19 109.43 1g90 n GLY 173 Ca 0.21 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1g90 n GLY 173 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1g90 n GLU 174 N 0.00 0.71 0.00 1.61 1.02 0.15 -5.00 120.64 119.14 1g90 n GLU 174 Ca 0.00 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.47 1g90 n GLU 174 Cb 0.00 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.71 1g90 n GLU 174 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1g90 n ALA 175 N -3.11 0.00 -0.94 0.62 0.00 0.07 -5.15 120.51 112.00 1g90 n ALA 175 Ca -0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1g90 n ALA 175 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.41 1g90 n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50