#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 0.14 0.00 0.00 0.04 -1.26 -5.10 135.00 128.82 1g90 s PRO 2 Ca 0.00 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1g90 s PRO 2 Cb 0.00 -1.71 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1g90 s PRO 2 CO 0.00 -2.91 0.00 0.36 0.04 0.00 0.00 177.00 174.49 1g90 n LYS 3 N -4.28 0.00 -0.56 4.56 0.00 -1.26 -5.17 118.16 111.45 1g90 n LYS 3 Ca 0.06 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.19 1g90 n LYS 3 Cb 0.58 0.00 0.13 0.00 -0.00 0.00 0.00 35.03 35.74 1g90 n LYS 3 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1g90 n ASP 4 N 0.00 -2.92 -0.05 -5.58 5.68 -1.26 -5.01 116.55 107.41 1g90 n ASP 4 Ca 0.00 -0.34 -0.01 0.00 -0.50 0.00 0.00 54.79 53.94 1g90 n ASP 4 Cb 0.00 -0.75 -0.00 0.00 -1.14 0.00 0.00 41.12 39.23 1g90 n ASP 4 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 1g90 h ASN 5 N -2.58 0.00 -5.17 -1.12 -0.00 -0.44 -3.48 115.58 102.79 1g90 h ASN 5 Ca -0.24 0.00 -0.08 0.00 -0.00 0.00 0.00 56.30 55.98 1g90 h ASN 5 Cb 0.74 0.00 -0.13 0.00 -0.00 0.00 0.00 38.32 38.94 1g90 h ASN 5 CO 0.15 0.51 -0.26 0.42 -0.00 0.00 0.00 177.43 178.25 1g90 s THR 6 N -1.62 0.09 0.12 -3.57 -4.23 -0.67 -5.00 115.64 100.76 1g90 s THR 6 Ca -0.02 -1.11 0.07 0.00 -1.18 0.00 0.00 61.69 59.44 1g90 s THR 6 Cb 0.00 -1.52 -0.04 0.00 1.34 0.00 0.00 72.50 72.29 1g90 s THR 6 CO 0.03 -0.41 -0.16 0.26 -0.54 0.00 0.00 174.62 173.80 1g90 s TRP 7 N -3.89 1.49 0.02 3.99 0.52 -1.26 -0.75 118.94 119.07 1g90 s TRP 7 Ca 0.09 -0.50 -0.07 0.00 0.02 0.00 0.00 56.10 55.64 1g90 s TRP 7 Cb 0.03 -0.79 -0.00 0.00 -1.15 0.00 0.00 33.47 31.56 1g90 s TRP 7 CO -0.06 0.17 0.14 0.71 0.02 0.00 0.00 176.95 177.92 1g90 s TYR 8 N -1.80 0.09 -0.04 -1.98 1.51 0.04 -0.58 117.35 114.58 1g90 s TYR 8 Ca 0.07 -0.26 -0.15 0.00 -1.01 0.00 0.00 57.07 55.72 1g90 s TYR 8 Cb -0.07 -0.07 0.03 0.00 -0.11 0.00 0.00 41.96 41.74 1g90 s TYR 8 CO 0.04 -0.34 0.33 -0.08 -1.11 0.00 0.00 175.55 174.39 1g90 s THR 9 N -1.96 0.05 0.00 -0.71 -1.32 -0.00 -0.70 115.64 110.99 1g90 s THR 9 Ca -0.10 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.00 1g90 s THR 9 Cb -0.04 -0.61 0.00 0.00 -1.51 0.00 0.00 72.50 70.33 1g90 s THR 9 CO -0.01 -0.21 0.00 0.61 -2.21 0.00 0.00 174.62 172.80 1g90 n GLY 10 N 1.52 -1.25 3.74 6.08 0.00 0.30 -0.22 105.19 115.36 1g90 n GLY 10 Ca -0.20 0.67 -0.08 0.00 0.00 0.00 0.00 46.02 46.41 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 -0.94 0.15 4.61 0.00 0.05 -0.41 121.76 124.22 1g90 s ALA 11 Ca 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 1g90 s ALA 11 Cb 0.00 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 1g90 s ALA 11 CO 0.00 -0.96 0.15 -1.59 0.00 0.00 0.00 175.76 173.36 1g90 s LYS 12 N -3.94 1.05 -0.15 0.00 -2.85 -0.28 -1.59 119.74 111.99 1g90 s LYS 12 Ca 0.14 -1.39 -0.01 0.00 -1.00 0.00 0.00 55.97 53.71 1g90 s LYS 12 Cb -0.04 0.29 0.04 0.00 -2.06 0.00 0.00 37.83 36.06 1g90 s LYS 12 CO 0.06 -0.34 -0.03 -1.17 0.10 0.00 0.00 175.35 173.97 1g90 s LEU 13 N -3.04 1.32 0.24 2.77 0.20 0.11 -0.86 118.68 119.41 1g90 s LEU 13 Ca 0.24 -0.54 -0.17 0.00 0.69 0.00 0.00 54.13 54.36 1g90 s LEU 13 Cb 0.06 -0.78 -0.08 0.00 -0.43 0.00 0.00 46.19 44.96 1g90 s LEU 13 CO 0.03 -0.19 0.68 -0.83 -0.29 0.00 0.00 176.35 175.75 1g90 s GLY 14 N 1.73 2.49 -0.12 7.98 0.00 0.31 -1.12 107.32 118.59 1g90 s GLY 14 Ca 0.02 0.05 -0.14 0.00 0.00 0.00 0.00 44.72 44.65 1g90 s GLY 14 CO -0.07 0.34 0.38 -0.12 0.00 0.00 0.00 173.10 173.62 1g90 s PHE 15 N -1.66 -0.38 0.29 1.90 5.36 0.11 -0.55 117.98 123.05 1g90 s PHE 15 Ca 0.45 0.89 -0.13 0.00 -0.96 0.00 0.00 56.93 57.18 1g90 s PHE 15 Cb -0.14 0.14 0.01 0.00 -0.34 0.00 0.00 43.02 42.69 1g90 s PHE 15 CO 0.20 -0.25 0.58 -1.54 -1.46 0.00 0.00 175.22 172.74 1g90 s SER 16 N -0.14 0.05 1.19 6.13 1.04 0.00 -1.09 113.70 120.88 1g90 s SER 16 Ca -0.03 -0.99 -0.15 0.00 0.48 0.00 0.00 55.95 55.27 1g90 s SER 16 Cb -0.03 0.67 0.29 0.00 0.10 0.00 0.00 66.02 67.05 1g90 s SER 16 CO 0.02 -1.30 1.02 0.00 0.98 0.00 0.00 173.24 173.96 1g90 s GLN 17 N -3.57 -1.15 -0.11 4.02 1.03 -1.26 -0.44 119.66 118.18 1g90 s GLN 17 Ca 0.20 0.58 -0.07 0.00 0.04 0.00 0.00 55.36 56.11 1g90 s GLN 17 Cb -0.02 -1.55 -0.05 0.00 0.03 0.00 0.00 33.01 31.42 1g90 s GLN 17 CO 0.11 -3.81 -0.17 0.98 -2.54 0.00 0.00 175.29 169.85 1g90 n TYR 18 N -4.94 0.00 0.05 9.60 9.36 -1.26 -4.00 117.16 125.96 1g90 n TYR 18 Ca 0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.27 1g90 n TYR 18 Cb 0.56 -0.41 0.00 0.00 -0.63 0.00 0.00 39.34 38.86 1g90 n TYR 18 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1g90 n HIS 19 N -3.73 -0.64 0.00 2.98 8.25 -1.26 -3.82 115.22 117.01 1g90 n HIS 19 Ca -0.21 0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1g90 n HIS 19 Cb 0.55 0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.94 1g90 n HIS 19 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1g90 n ASP 20 N -3.11 0.00 -1.54 0.41 5.75 -1.26 -4.63 116.55 112.17 1g90 n ASP 20 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 54.80 1g90 n ASP 20 Cb 0.13 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.23 1g90 n ASP 20 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1g90 n THR 21 N 0.00 0.10 -4.78 2.12 -1.04 -1.26 -5.01 114.28 104.41 1g90 n THR 21 Ca 0.00 -0.98 0.00 0.00 -2.04 0.00 0.00 64.05 61.03 1g90 n THR 21 Cb 0.00 0.94 0.00 0.00 -1.82 0.00 0.00 70.33 69.45 1g90 n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1g90 n GLY 22 N 0.29 1.71 2.06 3.41 0.00 -1.26 -0.21 105.19 111.20 1g90 n GLY 22 Ca -0.00 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.31 1g90 n GLY 22 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1g90 n PHE 23 N 7.82 0.13 -4.08 1.61 3.72 -1.26 -4.53 117.46 120.88 1g90 n PHE 23 Ca 0.00 -1.45 -0.30 0.00 -0.05 0.00 0.00 57.45 55.65 1g90 n PHE 23 Cb 0.00 -1.54 -0.03 0.00 -0.94 0.00 0.00 39.48 36.97 1g90 n PHE 23 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1g90 n ILE 24 N 2.61 -2.17 -1.66 4.37 2.08 -1.04 -4.81 119.36 118.74 1g90 n ILE 24 Ca 0.41 -0.32 -0.25 0.00 0.56 0.00 0.00 62.75 63.15 1g90 n ILE 24 Cb 0.80 -2.19 -0.05 0.00 -0.75 0.00 0.00 39.64 37.45 1g90 n ILE 24 CO 0.00 0.00 0.00 0.20 0.56 0.00 0.00 176.55 177.31 1g90 s ASN 25 N -3.98 4.33 0.06 4.38 -0.87 0.71 -4.93 114.94 114.64 1g90 s ASN 25 Ca 0.27 0.36 0.07 0.00 -1.57 0.00 0.00 52.86 51.99 1g90 s ASN 25 Cb -0.15 -2.53 -0.03 0.00 -0.02 0.00 0.00 41.25 38.52 1g90 s ASN 25 CO 0.91 -3.28 -0.18 0.20 -2.57 0.00 0.00 177.10 172.17 1g90 s ASN 26 N 10.81 2.21 0.00 -1.22 0.01 -1.26 -4.22 114.94 121.27 1g90 s ASN 26 Ca 0.90 -0.55 0.00 0.00 -0.71 0.00 0.00 52.86 52.49 1g90 s ASN 26 Cb -0.14 -0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.37 1g90 s ASN 26 CO 0.14 0.08 0.00 -3.20 -1.51 0.00 0.00 177.10 172.62 1g90 n ASN 27 N 1.63 0.00 -4.17 -1.22 4.05 -1.26 -4.57 115.26 109.71 1g90 n ASN 27 Ca -0.18 0.00 -0.39 0.00 0.45 0.00 0.00 54.58 54.46 1g90 n ASN 27 Cb 0.54 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 41.50 1g90 n ASN 27 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 177.26 173.38 1g90 s GLY 28 N 0.00 2.98 1.10 8.20 0.00 -1.26 -5.10 107.32 113.23 1g90 s GLY 28 Ca 0.00 -3.70 -0.15 0.00 0.00 0.00 0.00 44.72 40.86 1g90 s GLY 28 CO 0.00 1.21 1.10 2.56 0.00 0.00 0.00 173.10 177.97 1g90 s PRO 29 N -0.99 -0.37 0.31 2.90 0.04 -1.26 -4.64 135.00 130.99 1g90 s PRO 29 Ca 0.25 0.26 -0.02 0.00 0.04 0.00 0.00 61.00 61.54 1g90 s PRO 29 Cb -0.10 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 1g90 s PRO 29 CO -0.10 -3.21 0.40 -0.08 0.04 0.00 0.00 177.00 174.05 1g90 s THR 30 N -2.97 0.00 -0.72 1.26 -1.32 -1.26 -4.97 115.64 105.67 1g90 s THR 30 Ca 0.68 -1.69 0.21 0.00 -1.21 0.00 0.00 61.69 59.68 1g90 s THR 30 Cb -0.15 -2.54 0.21 0.00 -1.51 0.00 0.00 72.50 68.51 1g90 s THR 30 CO 0.57 0.00 1.66 1.41 -2.21 0.00 0.00 174.62 176.05 1g90 n HIS 31 N -0.51 0.50 -2.93 9.09 8.25 -1.26 -4.98 115.22 123.39 1g90 n HIS 31 Ca 0.02 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1g90 n HIS 31 Cb 0.62 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.93 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 -1.95 0.00 -0.56 -0.41 0.00 -1.26 -5.02 120.64 111.44 1g90 n GLU 32 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.23 1g90 n GLU 32 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.66 1g90 n GLU 32 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1g90 n ASN 33 N -3.41 -3.03 -3.99 4.31 3.02 -1.26 -4.86 115.26 106.03 1g90 n ASN 33 Ca 0.00 0.61 -0.15 0.00 -0.03 0.00 0.00 54.58 55.01 1g90 n ASN 33 Cb 0.00 -1.66 -0.14 0.00 -0.61 0.00 0.00 39.78 37.38 1g90 n ASN 33 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 1g90 s GLN 34 N -3.88 0.47 0.20 3.52 2.00 0.42 -4.49 119.66 117.89 1g90 s GLN 34 Ca 0.00 -0.36 -0.03 0.00 -2.00 0.00 0.00 55.36 52.97 1g90 s GLN 34 Cb 0.00 -0.39 -0.03 0.00 0.80 0.00 0.00 33.01 33.39 1g90 s GLN 34 CO 0.00 0.10 0.19 -0.48 -0.50 0.00 0.00 175.29 174.59 1g90 s LEU 35 N -0.54 1.05 -0.32 3.68 0.05 -1.26 -0.82 118.68 120.53 1g90 s LEU 35 Ca -0.01 -1.29 -0.01 0.00 0.05 0.00 0.00 54.13 52.87 1g90 s LEU 35 Cb -0.04 0.62 0.13 0.00 -2.05 0.00 0.00 46.19 44.85 1g90 s LEU 35 CO -0.00 -0.88 0.25 -0.83 -0.55 0.00 0.00 176.35 174.34 1g90 s GLY 36 N -3.12 0.23 -0.20 -3.48 0.00 0.28 -3.76 107.32 97.26 1g90 s GLY 36 Ca 0.35 -0.93 -0.10 0.00 0.00 0.00 0.00 44.72 44.03 1g90 s GLY 36 CO 0.11 2.41 0.14 0.00 0.00 0.00 0.00 173.10 175.75 1g90 s ALA 37 N 1.88 3.69 0.18 3.20 0.00 0.35 -0.53 121.76 130.52 1g90 s ALA 37 Ca 0.12 -0.69 -0.24 0.00 0.00 0.00 0.00 51.96 51.16 1g90 s ALA 37 Cb -0.16 -2.18 0.05 0.00 0.00 0.00 0.00 23.12 20.83 1g90 s ALA 37 CO -0.22 0.15 0.89 0.20 0.00 0.00 0.00 175.76 176.78 1g90 s GLY 38 N 0.38 -0.21 0.24 0.00 0.00 -0.04 -1.65 107.32 106.03 1g90 s GLY 38 Ca 0.08 0.05 -0.03 0.00 0.00 0.00 0.00 44.72 44.83 1g90 s GLY 38 CO -0.02 -0.01 0.46 0.00 0.00 0.00 0.00 173.10 173.54 1g90 s ALA 39 N -3.44 3.74 0.05 3.20 0.00 -0.20 -1.13 121.76 123.97 1g90 s ALA 39 Ca 0.12 -0.71 -0.09 0.00 0.00 0.00 0.00 51.96 51.28 1g90 s ALA 39 Cb -0.02 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.97 1g90 s ALA 39 CO 0.03 0.36 0.19 -0.06 0.00 0.00 0.00 175.76 176.27 1g90 s PHE 40 N -1.96 0.07 0.05 0.00 0.40 0.45 -0.87 117.98 116.13 1g90 s PHE 40 Ca 0.41 -0.33 -0.01 0.00 -0.60 0.00 0.00 56.93 56.40 1g90 s PHE 40 Cb -0.11 -0.04 -0.03 0.00 0.51 0.00 0.00 43.02 43.35 1g90 s PHE 40 CO 0.29 -0.44 -0.02 0.20 0.70 0.00 0.00 175.22 175.95 1g90 s GLY 41 N -2.19 0.41 0.08 4.36 0.00 0.22 -0.54 107.32 109.66 1g90 s GLY 41 Ca -0.04 -1.07 -0.27 0.00 0.00 0.00 0.00 44.72 43.34 1g90 s GLY 41 CO -0.05 -1.18 0.97 -0.32 0.00 0.00 0.00 173.10 172.52 1g90 s GLY 42 N -2.66 -0.33 -0.03 0.20 0.00 0.12 -0.53 107.32 104.10 1g90 s GLY 42 Ca 0.03 0.52 -0.07 0.00 0.00 0.00 0.00 44.72 45.19 1g90 s GLY 42 CO -0.08 0.14 0.16 -2.52 0.00 0.00 0.00 173.10 170.80 1g90 s TYR 43 N -3.14 -0.06 -0.43 1.90 1.13 0.62 -0.78 117.35 116.57 1g90 s TYR 43 Ca 0.10 0.13 -0.23 0.00 -1.41 0.00 0.00 57.07 55.66 1g90 s TYR 43 Cb -0.01 0.00 0.02 0.00 -1.10 0.00 0.00 41.96 40.88 1g90 s TYR 43 CO -0.02 -0.21 0.80 -0.65 -2.51 0.00 0.00 175.55 172.95 1g90 s GLN 44 N -0.79 3.49 0.40 -3.49 1.11 0.08 -0.98 119.66 119.47 1g90 s GLN 44 Ca -0.09 0.00 0.22 0.00 0.01 0.00 0.00 55.36 55.50 1g90 s GLN 44 Cb -0.05 -3.91 0.58 0.00 -1.01 0.00 0.00 33.01 28.62 1g90 s GLN 44 CO 0.01 -1.08 1.68 -0.24 0.01 0.00 0.00 175.29 175.68 1g90 h VAL 45 N 5.95 0.50 -3.71 1.09 3.04 -1.00 0.26 116.25 122.38 1g90 h VAL 45 Ca -0.25 -1.39 -0.08 0.00 -1.01 0.00 0.00 66.70 63.98 1g90 h VAL 45 Cb 1.09 1.99 -0.11 0.00 -2.01 0.00 0.00 31.29 32.25 1g90 h VAL 45 CO 0.96 0.24 -0.19 0.20 -1.01 0.00 0.00 177.57 177.77 1g90 s ASN 46 N -6.24 -0.06 0.00 3.17 0.02 -0.73 -3.04 114.94 108.07 1g90 s ASN 46 Ca 0.03 -0.81 0.04 0.00 -1.02 0.00 0.00 52.86 51.10 1g90 s ASN 46 Cb 0.08 0.51 0.25 0.00 0.02 0.00 0.00 41.25 42.11 1g90 s ASN 46 CO 0.67 -0.99 0.64 -0.81 0.02 0.00 0.00 177.10 176.62 1g90 n PRO 47 N -0.29 0.36 0.00 -0.60 -0.04 -1.26 -1.81 135.00 131.36 1g90 n PRO 47 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 1g90 n PRO 47 Cb 0.63 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.91 1g90 n PRO 47 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1g90 n TYR 48 N -0.68 0.00 -3.89 0.54 4.11 -1.26 -4.12 117.16 111.86 1g90 n TYR 48 Ca 0.03 -0.01 -0.11 0.00 -0.00 0.00 0.00 57.90 57.82 1g90 n TYR 48 Cb 0.01 -0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.25 1g90 n TYR 48 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 1g90 s VAL 49 N -0.01 0.09 0.00 -3.48 1.01 -0.75 -1.61 120.40 115.64 1g90 s VAL 49 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1g90 s VAL 49 Cb 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 36.38 35.99 1g90 s VAL 49 CO 0.00 -0.39 0.00 0.61 0.00 0.00 0.00 175.10 175.32 1g90 n GLY 50 N 1.53 0.56 3.14 4.51 0.00 -0.22 -0.42 105.19 114.29 1g90 n GLY 50 Ca -0.23 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 1g90 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1g90 s PHE 51 N -2.09 0.46 -0.00 1.61 0.40 -0.16 -0.28 117.98 117.92 1g90 s PHE 51 Ca 0.00 -0.95 -0.09 0.00 -0.60 0.00 0.00 56.93 55.30 1g90 s PHE 51 Cb 0.00 -0.30 0.01 0.00 0.51 0.00 0.00 43.02 43.24 1g90 s PHE 51 CO 0.00 -0.45 0.17 -1.83 0.70 0.00 0.00 175.22 173.81 1g90 s GLU 52 N -3.92 0.52 0.03 0.44 -1.05 0.62 -0.28 118.70 115.05 1g90 s GLU 52 Ca 0.09 -0.36 -0.13 0.00 -0.15 0.00 0.00 54.97 54.42 1g90 s GLU 52 Cb 0.07 0.22 0.02 0.00 -0.44 0.00 0.00 34.13 33.99 1g90 s GLU 52 CO -0.09 -0.13 0.27 -1.64 0.95 0.00 0.00 175.26 174.62 1g90 s MET 53 N -1.37 0.72 0.11 -4.83 -1.94 0.31 -0.62 119.30 111.68 1g90 s MET 53 Ca -0.14 -0.45 -0.26 0.00 -1.71 0.00 0.00 55.69 53.13 1g90 s MET 53 Cb -0.07 0.31 0.08 0.00 2.01 0.00 0.00 34.83 37.16 1g90 s MET 53 CO 0.02 -0.22 1.09 0.20 -0.01 0.00 0.00 175.02 176.10 1g90 s GLY 54 N -1.84 -0.17 -0.02 -0.03 0.00 -0.44 -0.61 107.32 104.22 1g90 s GLY 54 Ca -0.08 0.12 0.02 0.00 0.00 0.00 0.00 44.72 44.78 1g90 s GLY 54 CO -0.01 1.18 -0.05 -2.52 0.00 0.00 0.00 173.10 171.69 1g90 s TYR 55 N -2.65 0.60 0.18 1.90 -0.85 -0.05 -0.10 117.35 116.38 1g90 s TYR 55 Ca 0.17 -0.13 -0.07 0.00 -0.52 0.00 0.00 57.07 56.52 1g90 s TYR 55 Cb -0.00 -0.45 -0.02 0.00 0.38 0.00 0.00 41.96 41.87 1g90 s TYR 55 CO 0.01 -0.07 0.25 0.16 -1.52 0.00 0.00 175.55 174.38 1g90 s ASP 56 N 0.23 0.09 0.31 -0.18 1.47 -0.03 -1.04 116.67 117.51 1g90 s ASP 56 Ca -0.03 -1.02 -0.14 0.00 1.18 0.00 0.00 52.55 52.55 1g90 s ASP 56 Cb -0.07 0.42 0.02 0.00 -0.34 0.00 0.00 42.92 42.96 1g90 s ASP 56 CO -0.00 -0.89 0.62 0.12 0.68 0.00 0.00 175.17 175.70 1g90 s PHE 57 N -4.02 0.28 0.53 2.11 5.36 -0.66 -0.74 117.98 120.84 1g90 s PHE 57 Ca 0.22 -0.73 0.18 0.00 -0.96 0.00 0.00 56.93 55.65 1g90 s PHE 57 Cb 0.04 0.45 1.32 0.00 -0.34 0.00 0.00 43.02 44.49 1g90 s PHE 57 CO 0.03 -1.23 2.13 1.25 -1.46 0.00 0.00 175.22 175.94 1g90 h LEU 58 N 2.10 0.00 0.00 6.12 5.85 -1.86 0.10 115.31 127.62 1g90 h LEU 58 Ca -0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.46 1g90 h LEU 58 Cb 1.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.28 1g90 h LEU 58 CO 0.34 0.00 0.00 0.61 -0.34 0.00 0.00 178.44 179.05 1g90 n GLY 59 N -1.54 -0.84 3.82 3.75 0.00 -1.26 -4.81 105.19 104.32 1g90 n GLY 59 Ca -0.01 -1.69 -0.08 0.00 0.00 0.00 0.00 46.02 44.23 1g90 n GLY 59 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1g90 s ARG 60 N -1.31 2.10 -0.14 1.61 3.52 -1.26 -5.09 118.95 118.38 1g90 s ARG 60 Ca 0.00 -1.30 -0.08 0.00 -0.13 0.00 0.00 55.73 54.22 1g90 s ARG 60 Cb 0.00 0.62 0.01 0.00 -1.56 0.00 0.00 34.95 34.02 1g90 s ARG 60 CO 0.00 -0.98 0.17 -0.12 -0.81 0.00 0.00 175.30 173.56 1g90 n MET 61 N -0.51 -0.47 -1.38 5.12 1.56 -1.26 -4.74 117.12 115.44 1g90 n MET 61 Ca -0.07 0.32 -0.39 0.00 -0.27 0.00 0.00 57.70 57.30 1g90 n MET 61 Cb 0.60 -0.52 -0.02 0.00 2.15 0.00 0.00 33.22 35.42 1g90 n MET 61 CO 0.00 0.00 0.00 -0.35 -0.73 0.00 0.00 175.97 174.89 1g90 n PRO 62 N -0.28 2.85 0.00 2.12 -0.04 -1.26 -4.89 135.00 133.50 1g90 n PRO 62 Ca -0.04 -2.21 0.00 0.00 -0.04 0.00 0.00 63.50 61.21 1g90 n PRO 62 Cb 0.18 -2.96 0.00 0.00 -0.04 0.00 0.00 33.50 30.67 1g90 n PRO 62 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1g90 n TYR 63 N 5.20 -0.80 0.00 0.54 4.01 -1.26 -4.85 117.16 119.99 1g90 n TYR 63 Ca 0.60 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 58.34 1g90 n TYR 63 Cb 0.30 0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.47 1g90 n TYR 63 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1g90 n LYS 64 N -0.21 0.00 -1.67 -0.72 5.02 -1.26 -4.86 118.16 114.46 1g90 n LYS 64 Ca 0.00 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.85 1g90 n LYS 64 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 1g90 n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1g90 n GLY 65 N 0.00 1.71 0.00 0.72 0.00 -1.26 -4.89 105.19 101.48 1g90 n GLY 65 Ca 0.00 0.83 0.08 0.00 0.00 0.00 0.00 46.02 46.93 1g90 n GLY 65 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1g90 n SER 66 N 7.06 0.02 -4.02 1.61 7.64 -1.26 -4.71 113.62 119.96 1g90 n SER 66 Ca 0.21 0.50 -0.08 0.00 1.01 0.00 0.00 58.87 60.51 1g90 n SER 66 Cb 0.37 -0.51 -0.10 0.00 -1.01 0.00 0.00 64.21 62.96 1g90 n SER 66 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1g90 s VAL 67 N -3.01 0.17 -0.07 0.44 1.01 -1.26 -5.16 120.40 112.52 1g90 s VAL 67 Ca 0.08 -1.42 0.04 0.00 0.00 0.00 0.00 61.98 60.68 1g90 s VAL 67 Cb 0.11 -1.07 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 1g90 s VAL 67 CO 0.31 -0.78 -0.21 -0.70 0.00 0.00 0.00 175.10 173.72 1g90 s GLU 68 N -3.05 2.45 -1.40 2.72 2.56 -1.26 -5.06 118.70 115.66 1g90 s GLU 68 Ca -0.01 -0.75 -0.15 0.00 0.00 0.00 0.00 54.97 54.05 1g90 s GLU 68 Cb 0.02 -1.97 0.05 0.00 2.00 0.00 0.00 34.13 34.23 1g90 s GLU 68 CO -0.07 0.21 2.05 -1.71 -0.56 0.00 0.00 175.26 175.18 1g90 n ASN 69 N 3.37 4.27 -0.35 -1.70 5.15 -1.26 -4.03 115.26 120.71 1g90 n ASN 69 Ca -0.19 -2.87 0.00 0.00 -0.60 0.00 0.00 54.58 50.92 1g90 n ASN 69 Cb 0.53 -1.69 0.00 0.00 -0.53 0.00 0.00 39.78 38.08 1g90 n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1g90 n GLY 70 N 4.58 -0.78 0.40 8.20 0.00 -1.26 -5.05 105.19 111.28 1g90 n GLY 70 Ca 0.51 -0.64 -0.16 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.25 -2.61 4.61 0.00 -2.02 -3.43 119.26 114.56 1g90 h ALA 71 Ca 0.00 -0.22 -0.53 0.00 0.00 0.00 0.00 54.91 54.16 1g90 h ALA 71 Cb 0.00 0.39 0.17 0.00 0.00 0.00 0.00 17.79 18.35 1g90 h ALA 71 CO 0.00 -1.18 0.36 -0.47 0.00 0.00 0.00 179.25 177.96 1g90 s TYR 72 N -5.18 1.96 0.31 0.00 5.04 -1.26 -5.04 117.35 113.17 1g90 s TYR 72 Ca -0.15 1.64 -0.08 0.00 -2.44 0.00 0.00 57.07 56.04 1g90 s TYR 72 Cb 0.01 -3.44 0.01 0.00 0.35 0.00 0.00 41.96 38.89 1g90 s TYR 72 CO 0.45 -2.66 0.51 0.21 -1.34 0.00 0.00 175.55 172.71 1g90 s LYS 73 N -4.09 1.79 0.80 4.97 2.47 -1.26 -5.10 119.74 119.31 1g90 s LYS 73 Ca 0.73 -1.51 -0.14 0.00 -1.56 0.00 0.00 55.97 53.49 1g90 s LYS 73 Cb -0.28 0.47 0.03 0.00 -1.46 0.00 0.00 37.83 36.59 1g90 s LYS 73 CO 0.48 -0.75 0.80 0.00 0.16 0.00 0.00 175.35 176.04 1g90 n ALA 74 N -0.48 -1.05 -3.67 3.13 0.00 -1.26 -4.54 120.51 112.64 1g90 n ALA 74 Ca -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 53.44 53.06 1g90 n ALA 74 Cb 0.62 -2.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.04 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 -3.49 0.80 0.25 0.00 -2.07 -0.13 -4.86 119.66 110.16 1g90 s GLN 75 Ca 0.67 -0.42 -0.06 0.00 -1.82 0.00 0.00 55.36 53.73 1g90 s GLN 75 Cb -0.30 0.28 -0.02 0.00 -1.09 0.00 0.00 33.01 31.89 1g90 s GLN 75 CO 0.56 -0.36 0.35 0.20 -1.32 0.00 0.00 175.29 174.72 1g90 s GLY 76 N -2.86 1.07 -0.05 2.60 0.00 0.08 -0.21 107.32 107.95 1g90 s GLY 76 Ca 0.12 -1.31 -0.00 0.00 0.00 0.00 0.00 44.72 43.53 1g90 s GLY 76 CO -0.02 -0.98 -0.01 0.54 0.00 0.00 0.00 173.10 172.64 1g90 s VAL 77 N -3.88 0.31 0.03 1.40 0.11 0.16 -0.85 120.40 117.68 1g90 s VAL 77 Ca 0.30 0.07 -0.09 0.00 -2.93 0.00 0.00 61.98 59.34 1g90 s VAL 77 Cb 0.02 -0.43 -0.05 0.00 -1.53 0.00 0.00 36.38 34.39 1g90 s VAL 77 CO 0.13 0.21 0.33 -1.10 -3.33 0.00 0.00 175.10 171.33 1g90 s GLN 78 N 1.41 3.68 -0.05 1.54 -0.21 0.86 -1.01 119.66 125.88 1g90 s GLN 78 Ca -0.04 0.07 -0.02 0.00 0.02 0.00 0.00 55.36 55.39 1g90 s GLN 78 Cb -0.13 -3.07 0.04 0.00 1.00 0.00 0.00 33.01 30.85 1g90 s GLN 78 CO -0.03 0.63 0.10 -0.48 -2.12 0.00 0.00 175.29 173.39 1g90 s LEU 79 N -1.71 0.49 -0.04 2.90 2.34 0.08 -1.32 118.68 121.43 1g90 s LEU 79 Ca 0.29 0.19 -0.01 0.00 0.06 0.00 0.00 54.13 54.66 1g90 s LEU 79 Cb -0.14 0.12 0.03 0.00 -0.56 0.00 0.00 46.19 45.64 1g90 s LEU 79 CO 0.16 -0.19 0.03 0.42 -1.06 0.00 0.00 176.35 175.71 1g90 s THR 80 N 1.64 0.06 0.13 5.48 -4.23 0.21 -0.91 115.64 118.01 1g90 s THR 80 Ca -0.03 0.26 -0.25 0.00 -1.18 0.00 0.00 61.69 60.49 1g90 s THR 80 Cb -0.12 -0.24 -0.07 0.00 1.34 0.00 0.00 72.50 73.41 1g90 s THR 80 CO -0.05 0.17 0.76 0.00 -0.54 0.00 0.00 174.62 174.97 1g90 s ALA 81 N 1.68 3.43 -0.20 3.99 0.00 0.95 -0.28 121.76 131.34 1g90 s ALA 81 Ca -0.01 0.32 -0.10 0.00 0.00 0.00 0.00 51.96 52.17 1g90 s ALA 81 Cb -0.13 -2.95 -0.05 0.00 0.00 0.00 0.00 23.12 19.99 1g90 s ALA 81 CO -0.03 0.24 0.14 0.15 0.00 0.00 0.00 175.76 176.26 1g90 s LYS 82 N -0.84 4.18 -0.03 0.00 1.02 0.62 -0.54 119.74 124.15 1g90 s LYS 82 Ca 0.36 -0.21 0.04 0.00 0.02 0.00 0.00 55.97 56.18 1g90 s LYS 82 Cb -0.22 -3.44 -0.01 0.00 -0.52 0.00 0.00 37.83 33.64 1g90 s LYS 82 CO 0.25 0.26 -0.15 -0.48 -0.92 0.00 0.00 175.35 174.31 1g90 s LEU 83 N 0.48 1.94 0.00 3.17 0.05 -0.69 -1.06 118.68 122.57 1g90 s LEU 83 Ca 0.08 -0.29 -0.07 0.00 0.05 0.00 0.00 54.13 53.90 1g90 s LEU 83 Cb -0.11 -0.82 0.02 0.00 -2.05 0.00 0.00 46.19 43.23 1g90 s LEU 83 CO -0.01 0.15 0.33 0.61 -0.55 0.00 0.00 176.35 176.89 1g90 n GLY 84 N 2.97 0.37 3.36 -3.48 0.00 -0.64 -0.30 105.19 107.47 1g90 n GLY 84 Ca -0.16 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.88 1g90 n GLY 84 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g90 s TYR 85 N -2.21 -0.34 0.41 1.61 2.02 -0.45 -4.28 117.35 114.11 1g90 s TYR 85 Ca 0.08 0.18 -0.26 0.00 -0.37 0.00 0.00 57.07 56.70 1g90 s TYR 85 Cb -0.00 0.34 -0.09 0.00 -0.40 0.00 0.00 41.96 41.81 1g90 s TYR 85 CO -0.01 -0.70 1.40 -1.25 -1.57 0.00 0.00 175.55 173.43 1g90 s PRO 86 N -3.26 3.90 0.00 -1.71 0.04 -1.26 -0.45 135.00 132.26 1g90 s PRO 86 Ca -0.01 2.38 0.14 0.00 0.04 0.00 0.00 61.00 63.55 1g90 s PRO 86 Cb 0.00 -2.78 -0.00 0.00 0.04 0.00 0.00 34.50 31.76 1g90 s PRO 86 CO -0.08 -0.63 0.77 1.51 0.04 0.00 0.00 177.00 178.61 1g90 n ILE 87 N 0.11 0.00 0.00 0.56 0.13 0.18 -4.83 119.36 115.50 1g90 n ILE 87 Ca 0.03 -0.36 0.00 0.00 -1.10 0.00 0.00 62.75 61.33 1g90 n ILE 87 Cb 0.42 1.16 0.00 0.00 -0.84 0.00 0.00 39.64 40.38 1g90 n ILE 87 CO 0.00 0.00 0.00 0.41 2.80 0.00 0.00 176.55 179.76 1g90 n THR 88 N -0.17 0.00 0.00 9.51 -1.04 -1.11 -4.97 114.28 116.50 1g90 n THR 88 Ca 0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.07 1g90 n THR 88 Cb 0.29 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 1g90 n THR 88 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1g90 n ASP 89 N -0.25 0.00 0.33 8.00 2.03 -1.26 -4.89 116.55 120.52 1g90 n ASP 89 Ca 0.00 0.00 0.22 0.00 0.52 0.00 0.00 54.79 55.53 1g90 n ASP 89 Cb 0.00 0.13 1.16 0.00 -0.72 0.00 0.00 41.12 41.68 1g90 n ASP 89 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1g90 h ASP 90 N 0.00 0.00 -4.10 1.67 5.19 -1.97 -3.40 116.42 113.81 1g90 h ASP 90 Ca 0.00 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.93 1g90 h ASP 90 Cb 0.00 0.00 -0.30 0.00 0.18 0.00 0.00 39.33 39.21 1g90 h ASP 90 CO 0.00 0.00 -0.81 -0.76 -3.12 0.00 0.00 179.24 174.55 1g90 s LEU 91 N -6.22 1.98 -0.03 1.55 1.02 -1.26 -0.40 118.68 115.31 1g90 s LEU 91 Ca -0.05 -0.25 -0.01 0.00 0.02 0.00 0.00 54.13 53.85 1g90 s LEU 91 Cb 0.13 -0.70 0.03 0.00 0.02 0.00 0.00 46.19 45.67 1g90 s LEU 91 CO 0.40 0.15 0.05 1.51 0.02 0.00 0.00 176.35 178.49 1g90 s ASP 92 N -0.20 0.36 0.15 2.29 -4.77 -0.23 -0.65 116.67 113.61 1g90 s ASP 92 Ca 0.03 0.09 0.01 0.00 -3.30 0.00 0.00 52.55 49.38 1g90 s ASP 92 Cb -0.06 -0.05 -0.04 0.00 -1.09 0.00 0.00 42.92 41.68 1g90 s ASP 92 CO -0.00 -0.17 0.30 0.27 0.70 0.00 0.00 175.17 176.27 1g90 s ILE 93 N 1.42 5.30 0.08 2.11 -5.25 0.41 -0.46 121.20 124.81 1g90 s ILE 93 Ca -0.05 -0.54 -0.13 0.00 -0.99 0.00 0.00 60.65 58.94 1g90 s ILE 93 Cb -0.13 -3.72 0.02 0.00 2.95 0.00 0.00 42.46 41.58 1g90 s ILE 93 CO -0.03 -0.07 0.30 -0.31 -1.79 0.00 0.00 174.94 173.03 1g90 s TYR 94 N -1.74 -0.06 -0.20 1.37 2.02 0.40 -1.34 117.35 117.80 1g90 s TYR 94 Ca 0.36 -0.20 -0.02 0.00 -0.37 0.00 0.00 57.07 56.84 1g90 s TYR 94 Cb -0.11 0.10 -0.00 0.00 -0.40 0.00 0.00 41.96 41.54 1g90 s TYR 94 CO 0.28 -0.57 -0.09 0.99 -1.57 0.00 0.00 175.55 174.60 1g90 s THR 95 N -3.23 3.03 -0.38 -0.71 2.01 0.59 -0.67 115.64 116.28 1g90 s THR 95 Ca -0.00 -0.62 -0.10 0.00 0.31 0.00 0.00 61.69 61.28 1g90 s THR 95 Cb 0.01 -2.34 0.04 0.00 0.01 0.00 0.00 72.50 70.22 1g90 s THR 95 CO -0.08 0.47 0.20 -0.13 -0.69 0.00 0.00 174.62 174.39 1g90 s ARG 96 N 1.25 2.74 -0.09 4.92 0.52 0.18 -1.70 118.95 126.77 1g90 s ARG 96 Ca 0.03 -1.17 0.02 0.00 -0.52 0.00 0.00 55.73 54.10 1g90 s ARG 96 Cb -0.14 -3.69 0.01 0.00 0.52 0.00 0.00 34.95 31.65 1g90 s ARG 96 CO -0.04 -0.74 -0.15 -1.17 0.02 0.00 0.00 175.30 173.22 1g90 s LEU 97 N 1.50 1.75 0.00 2.53 0.20 0.29 -0.21 118.68 124.74 1g90 s LEU 97 Ca 0.01 -0.39 0.00 0.00 0.69 0.00 0.00 54.13 54.44 1g90 s LEU 97 Cb -0.20 -1.03 0.00 0.00 -0.43 0.00 0.00 46.19 44.53 1g90 s LEU 97 CO 0.05 0.05 0.00 0.61 -0.29 0.00 0.00 176.35 176.77 1g90 n GLY 98 N 3.91 -1.49 0.00 7.98 0.00 -0.00 -0.03 105.19 115.55 1g90 n GLY 98 Ca -0.21 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1g90 n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g90 n GLY 99 N 0.00 -0.71 3.19 -0.02 0.00 -0.09 -1.37 105.19 106.17 1g90 n GLY 99 Ca 0.00 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 1g90 n GLY 99 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1g90 s MET 100 N -1.30 0.79 0.09 1.61 0.23 -0.11 -0.74 119.30 119.87 1g90 s MET 100 Ca 0.00 -0.96 0.05 0.00 -1.03 0.00 0.00 55.69 53.76 1g90 s MET 100 Cb 0.00 0.32 -0.03 0.00 -1.53 0.00 0.00 34.83 33.58 1g90 s MET 100 CO 0.00 -0.24 -0.14 0.14 -2.03 0.00 0.00 175.02 172.75 1g90 s VAL 101 N -3.71 1.19 0.02 5.16 -7.23 -0.18 -0.57 120.40 115.08 1g90 s VAL 101 Ca 0.04 -1.43 0.02 0.00 -1.81 0.00 0.00 61.98 58.80 1g90 s VAL 101 Cb 0.05 -1.22 -0.01 0.00 0.56 0.00 0.00 36.38 35.76 1g90 s VAL 101 CO -0.10 -0.27 -0.06 -0.36 -0.31 0.00 0.00 175.10 173.99 1g90 s PHE 102 N -1.51 0.56 -0.26 2.82 0.40 0.18 -0.67 117.98 119.51 1g90 s PHE 102 Ca 0.01 -0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.07 1g90 s PHE 102 Cb -0.09 -0.35 0.05 0.00 0.51 0.00 0.00 43.02 43.15 1g90 s PHE 102 CO 0.02 -0.05 -0.11 0.50 0.70 0.00 0.00 175.22 176.29 1g90 s ARG 103 N -0.85 2.35 -0.51 0.44 3.52 0.71 -1.53 118.95 123.07 1g90 s ARG 103 Ca -0.04 -1.28 -0.24 0.00 -0.13 0.00 0.00 55.73 54.04 1g90 s ARG 103 Cb -0.06 -2.89 0.04 0.00 -1.56 0.00 0.00 34.95 30.48 1g90 s ARG 103 CO 0.00 -0.53 0.92 0.00 -0.81 0.00 0.00 175.30 174.87 1g90 s ALA 104 N 1.14 3.20 -0.27 6.12 0.00 -0.66 -0.96 121.76 130.33 1g90 s ALA 104 Ca -0.07 -1.10 -0.19 0.00 0.00 0.00 0.00 51.96 50.61 1g90 s ALA 104 Cb -0.19 -3.68 -0.02 0.00 0.00 0.00 0.00 23.12 19.23 1g90 s ALA 104 CO -0.05 -2.24 0.54 0.34 0.00 0.00 0.00 175.76 174.35 1g90 s ASP 105 N 2.60 6.45 0.00 0.00 -1.08 -1.26 -4.64 116.67 118.74 1g90 s ASP 105 Ca 0.32 0.49 0.00 0.00 -0.52 0.00 0.00 52.55 52.83 1g90 s ASP 105 Cb -0.12 -2.29 0.00 0.00 -1.46 0.00 0.00 42.92 39.05 1g90 s ASP 105 CO 0.21 -0.34 0.00 0.41 0.52 0.00 0.00 175.17 175.98 1g90 n THR 106 N 5.22 0.00 -1.40 1.71 -1.04 -1.26 -4.26 114.28 113.25 1g90 n THR 106 Ca -0.03 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.68 1g90 n THR 106 Cb 0.49 0.00 0.20 0.00 -1.82 0.00 0.00 70.33 69.20 1g90 n THR 106 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1g90 s LYS 107 N 0.00 -0.07 0.00 -2.82 -2.85 -1.26 -5.04 119.74 107.69 1g90 s LYS 107 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 55.97 54.95 1g90 s LYS 107 Cb 0.00 -1.73 0.00 0.00 -2.06 0.00 0.00 37.83 34.04 1g90 s LYS 107 CO 0.00 -2.96 0.00 0.43 0.10 0.00 0.00 175.35 172.92 1g90 n SER 108 N -4.23 0.00 -3.97 0.03 7.64 -1.26 -4.93 113.62 106.89 1g90 n SER 108 Ca 0.11 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.59 1g90 n SER 108 Cb 0.59 0.15 0.02 0.00 -1.01 0.00 0.00 64.21 63.96 1g90 n SER 108 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 1g90 n ASN 109 N -1.72 -4.45 -4.12 6.43 5.15 -1.26 -4.98 115.26 110.31 1g90 n ASN 109 Ca 0.00 -1.19 -0.12 0.00 -0.60 0.00 0.00 54.58 52.67 1g90 n ASN 109 Cb 0.00 -1.86 -0.11 0.00 -0.53 0.00 0.00 39.78 37.28 1g90 n ASN 109 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1g90 s VAL 110 N -3.40 0.64 0.24 3.44 -7.23 -1.26 -5.06 120.40 107.78 1g90 s VAL 110 Ca 0.38 -1.47 0.16 0.00 -1.81 0.00 0.00 61.98 59.24 1g90 s VAL 110 Cb -0.20 -1.11 0.09 0.00 0.56 0.00 0.00 36.38 35.72 1g90 s VAL 110 CO 0.94 -0.60 1.74 0.22 -0.31 0.00 0.00 175.10 177.10 1g90 h TYR 111 N 3.80 0.00 0.00 2.82 5.03 -1.95 -3.47 116.97 123.20 1g90 h TYR 111 Ca -0.36 0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.95 1g90 h TYR 111 Cb 1.19 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.47 1g90 h TYR 111 CO 0.62 0.42 0.00 0.41 -1.32 0.00 0.00 178.16 178.30 1g90 n GLY 112 N 0.07 0.76 1.95 1.82 0.00 -1.26 -5.10 105.19 103.43 1g90 n GLY 112 Ca -0.01 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.35 1g90 n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1g90 n LYS 113 N 0.00 0.00 -4.06 1.61 4.76 -1.26 -5.13 118.16 114.08 1g90 n LYS 113 Ca 0.00 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 1g90 n LYS 113 Cb 0.00 -0.01 -0.03 0.00 -1.84 0.00 0.00 35.03 33.14 1g90 n LYS 113 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1g90 s ASN 114 N -4.51 0.83 -0.00 4.39 0.02 -1.26 -5.17 114.94 109.24 1g90 s ASN 114 Ca 0.00 -1.45 -0.13 0.00 -1.02 0.00 0.00 52.86 50.26 1g90 s ASN 114 Cb 0.00 0.68 0.02 0.00 0.02 0.00 0.00 41.25 41.97 1g90 s ASN 114 CO 0.00 -1.34 0.27 -2.28 0.02 0.00 0.00 177.10 173.77 1g90 s HIS 115 N -2.98 -0.12 -0.00 2.20 5.65 -1.26 -4.87 115.29 113.90 1g90 s HIS 115 Ca 0.29 0.15 0.00 0.00 0.25 0.00 0.00 55.06 55.75 1g90 s HIS 115 Cb -0.01 0.06 0.00 0.00 -1.18 0.00 0.00 32.58 31.46 1g90 s HIS 115 CO 0.19 -0.38 0.52 -0.40 -0.65 0.00 0.00 174.74 174.03 1g90 n ASP 116 N 1.23 1.57 -4.02 9.88 5.75 -1.26 -4.66 116.55 125.05 1g90 n ASP 116 Ca -0.22 -1.05 -0.08 0.00 -0.01 0.00 0.00 54.79 53.43 1g90 n ASP 116 Cb 0.56 -0.26 -0.11 0.00 -1.03 0.00 0.00 41.12 40.28 1g90 n ASP 116 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1g90 s THR 117 N 0.47 0.15 -4.69 2.12 -1.32 -1.26 -1.65 115.64 109.46 1g90 s THR 117 Ca 0.00 -1.23 0.00 0.00 -1.21 0.00 0.00 61.69 59.25 1g90 s THR 117 Cb 0.00 -0.71 0.00 0.00 -1.51 0.00 0.00 72.50 70.28 1g90 s THR 117 CO 0.00 -0.68 0.00 0.61 -2.21 0.00 0.00 174.62 172.34 1g90 n GLY 118 N 1.06 0.95 3.15 6.08 0.00 -0.58 -4.87 105.19 110.98 1g90 n GLY 118 Ca -0.20 -1.91 -0.20 0.00 0.00 0.00 0.00 46.02 43.70 1g90 n GLY 118 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g90 s VAL 119 N -2.72 1.15 -0.31 1.61 0.11 -1.26 -0.65 120.40 118.33 1g90 s VAL 119 Ca 0.00 -1.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.02 1g90 s VAL 119 Cb 0.00 -1.04 0.12 0.00 -1.53 0.00 0.00 36.38 33.93 1g90 s VAL 119 CO 0.00 0.03 0.17 -0.55 -3.33 0.00 0.00 175.10 171.42 1g90 s SER 120 N -1.12 3.15 -0.20 3.54 0.15 0.26 -4.99 113.70 114.49 1g90 s SER 120 Ca 0.02 -1.50 -0.29 0.00 0.70 0.00 0.00 55.95 54.88 1g90 s SER 120 Cb -0.08 -0.26 -0.02 0.00 -1.71 0.00 0.00 66.02 63.96 1g90 s SER 120 CO 0.01 -0.39 1.37 -2.16 1.20 0.00 0.00 173.24 173.26 1g90 s PRO 121 N 1.82 4.07 0.24 5.44 0.04 -1.26 -0.93 135.00 144.42 1g90 s PRO 121 Ca 0.12 1.60 -0.06 0.00 0.04 0.00 0.00 61.00 62.69 1g90 s PRO 121 Cb -0.18 -3.86 -0.02 0.00 0.04 0.00 0.00 34.50 30.48 1g90 s PRO 121 CO -0.25 -0.92 0.33 0.14 0.04 0.00 0.00 177.00 176.34 1g90 s VAL 122 N 4.05 0.00 0.11 -0.36 -7.23 -0.47 -4.93 120.40 111.57 1g90 s VAL 122 Ca 0.60 -1.68 -0.00 0.00 -1.81 0.00 0.00 61.98 59.08 1g90 s VAL 122 Cb -0.22 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 1g90 s VAL 122 CO 0.21 0.00 0.00 0.72 -0.31 0.00 0.00 175.10 175.72 1g90 s PHE 123 N -3.96 0.81 0.17 2.82 -0.71 -1.26 -0.82 117.98 115.03 1g90 s PHE 123 Ca 0.30 -1.10 0.03 0.00 -1.04 0.00 0.00 56.93 55.12 1g90 s PHE 123 Cb 0.03 -0.49 -0.05 0.00 -1.21 0.00 0.00 43.02 41.30 1g90 s PHE 123 CO 0.12 -0.37 -0.03 0.00 -1.34 0.00 0.00 175.22 173.60 1g90 s ALA 124 N -3.88 1.43 0.12 1.99 0.00 0.70 -4.61 121.76 117.50 1g90 s ALA 124 Ca 0.16 -1.58 0.05 0.00 0.00 0.00 0.00 51.96 50.60 1g90 s ALA 124 Cb 0.07 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.55 1g90 s ALA 124 CO -0.03 -0.25 0.02 0.20 0.00 0.00 0.00 175.76 175.70 1g90 s GLY 125 N -3.19 1.86 0.02 0.00 0.00 -0.11 -0.65 107.32 105.26 1g90 s GLY 125 Ca 0.22 -1.18 -0.12 0.00 0.00 0.00 0.00 44.72 43.65 1g90 s GLY 125 CO 0.03 -1.17 0.53 0.61 0.00 0.00 0.00 173.10 173.11 1g90 n GLY 126 N 0.33 0.60 3.20 0.20 0.00 0.15 -0.43 105.19 109.24 1g90 n GLY 126 Ca -0.10 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 1g90 n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g90 s VAL 127 N -2.17 0.14 0.05 1.61 0.11 -0.32 -0.46 120.40 119.37 1g90 s VAL 127 Ca 0.12 -1.19 0.08 0.00 -2.93 0.00 0.00 61.98 58.06 1g90 s VAL 127 Cb -0.01 -1.31 -0.03 0.00 -1.53 0.00 0.00 36.38 33.51 1g90 s VAL 127 CO 0.00 -0.66 -0.21 -1.61 -3.33 0.00 0.00 175.10 169.30 1g90 s GLU 128 N -3.75 1.42 -0.23 1.54 2.02 0.39 -1.57 118.70 118.52 1g90 s GLU 128 Ca 0.04 -0.97 -0.04 0.00 0.02 0.00 0.00 54.97 54.03 1g90 s GLU 128 Cb 0.04 -1.54 0.09 0.00 0.10 0.00 0.00 34.13 32.82 1g90 s GLU 128 CO -0.10 0.39 0.18 -0.47 0.02 0.00 0.00 175.26 175.28 1g90 s TYR 129 N -0.82 -0.05 -1.18 1.61 5.04 0.76 -1.07 117.35 121.65 1g90 s TYR 129 Ca 0.08 -0.24 -0.16 0.00 -2.44 0.00 0.00 57.07 54.31 1g90 s TYR 129 Cb -0.09 -0.59 0.14 0.00 0.35 0.00 0.00 41.96 41.77 1g90 s TYR 129 CO 0.02 -0.68 1.44 0.00 -1.34 0.00 0.00 175.55 174.99 1g90 s ALA 130 N 2.23 3.74 0.59 3.97 0.00 0.46 -0.29 121.76 132.46 1g90 s ALA 130 Ca 0.06 -3.16 0.30 0.00 0.00 0.00 0.00 51.96 49.17 1g90 s ALA 130 Cb -0.16 -4.22 1.81 0.00 0.00 0.00 0.00 23.12 20.55 1g90 s ALA 130 CO -0.20 -2.93 2.23 0.97 0.00 0.00 0.00 175.76 175.83 1g90 h ILE 131 N 5.07 0.50 -3.90 0.00 -0.00 -1.80 -3.37 117.51 114.02 1g90 h ILE 131 Ca 0.31 0.00 -0.28 0.00 -0.00 0.00 0.00 64.86 64.89 1g90 h ILE 131 Cb 0.90 0.97 -0.26 0.00 -0.00 0.00 0.00 36.82 38.43 1g90 h ILE 131 CO 1.27 0.00 -0.74 0.42 -0.00 0.00 0.00 178.15 179.10 1g90 s THR 132 N -4.62 0.35 0.17 2.19 -4.23 -1.26 -5.07 115.64 103.16 1g90 s THR 132 Ca -0.05 -0.48 0.34 0.00 -1.18 0.00 0.00 61.69 60.32 1g90 s THR 132 Cb 0.15 -0.36 0.37 0.00 1.34 0.00 0.00 72.50 74.00 1g90 s THR 132 CO 0.54 -0.10 2.04 1.55 -0.54 0.00 0.00 174.62 178.11 1g90 h PRO 133 N 5.50 0.00 0.00 3.99 0.13 -2.00 -2.18 132.00 137.44 1g90 h PRO 133 Ca -0.30 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.82 1g90 h PRO 133 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1g90 h PRO 133 CO 0.47 0.00 -0.06 0.93 -0.23 0.00 0.00 178.00 179.11 1g90 h GLU 134 N 0.00 0.00 -4.77 0.86 3.07 -1.97 -3.45 114.58 108.32 1g90 h GLU 134 Ca 0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 59.36 58.58 1g90 h GLU 134 Cb 0.26 0.00 -0.15 0.00 -0.84 0.00 0.00 28.75 28.02 1g90 h GLU 134 CO 0.00 0.06 -0.66 0.96 -1.40 0.00 0.00 179.01 177.97 1g90 s ILE 135 N -4.31 0.62 0.09 3.13 -5.25 -0.82 -0.79 121.20 113.86 1g90 s ILE 135 Ca -0.04 -1.98 0.07 0.00 -0.99 0.00 0.00 60.65 57.72 1g90 s ILE 135 Cb 0.14 -2.15 -0.03 0.00 2.95 0.00 0.00 42.46 43.37 1g90 s ILE 135 CO 0.55 -0.44 -0.18 0.00 -1.79 0.00 0.00 174.94 173.08 1g90 s ALA 136 N -3.70 1.56 0.09 2.27 0.00 0.58 -4.31 121.76 118.25 1g90 s ALA 136 Ca 0.25 -1.17 0.04 0.00 0.00 0.00 0.00 51.96 51.08 1g90 s ALA 136 Cb 0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 1g90 s ALA 136 CO 0.04 0.27 0.05 0.95 0.00 0.00 0.00 175.76 177.07 1g90 s THR 137 N -1.31 4.31 -0.01 0.00 -4.23 0.60 -0.22 115.64 114.77 1g90 s THR 137 Ca 0.04 -0.89 -0.06 0.00 -1.18 0.00 0.00 61.69 59.60 1g90 s THR 137 Cb -0.09 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.67 1g90 s THR 137 CO 0.04 0.10 0.11 0.00 -0.54 0.00 0.00 174.62 174.33 1g90 s ARG 138 N -2.42 0.38 0.09 3.99 1.70 0.08 -0.17 118.95 122.61 1g90 s ARG 138 Ca 0.28 -0.29 0.01 0.00 -0.47 0.00 0.00 55.73 55.26 1g90 s ARG 138 Cb -0.12 0.16 -0.04 0.00 -0.57 0.00 0.00 34.95 34.38 1g90 s ARG 138 CO 0.21 -0.08 -0.06 -0.51 -1.08 0.00 0.00 175.30 173.77 1g90 s LEU 139 N -1.04 2.49 -0.06 -1.89 2.01 -0.61 -0.19 118.68 119.39 1g90 s LEU 139 Ca -0.11 -0.97 -0.30 0.00 0.01 0.00 0.00 54.13 52.76 1g90 s LEU 139 Cb -0.06 -0.03 0.09 0.00 0.01 0.00 0.00 46.19 46.19 1g90 s LEU 139 CO 0.01 -0.47 0.79 -0.70 1.01 0.00 0.00 176.35 176.99 1g90 s GLU 140 N -3.69 0.92 -0.08 1.70 2.12 0.05 -1.17 118.70 118.54 1g90 s GLU 140 Ca 0.10 0.10 -0.07 0.00 0.36 0.00 0.00 54.97 55.45 1g90 s GLU 140 Cb 0.05 0.43 0.02 0.00 0.26 0.00 0.00 34.13 34.89 1g90 s GLU 140 CO -0.05 -0.31 0.20 -0.47 -0.54 0.00 0.00 175.26 174.09 1g90 s TYR 141 N -1.62 -0.22 0.35 5.30 5.04 0.43 -1.11 117.35 125.53 1g90 s TYR 141 Ca -0.05 0.54 0.04 0.00 -2.44 0.00 0.00 57.07 55.15 1g90 s TYR 141 Cb -0.00 0.07 -0.03 0.00 0.35 0.00 0.00 41.96 42.35 1g90 s TYR 141 CO 0.03 -0.11 0.14 1.14 -1.34 0.00 0.00 175.55 175.41 1g90 s GLN 142 N 0.12 1.76 0.45 4.97 -2.07 0.22 -0.93 119.66 124.18 1g90 s GLN 142 Ca -0.00 -2.03 0.00 0.00 -1.82 0.00 0.00 55.36 51.50 1g90 s GLN 142 Cb -0.02 -0.40 -0.00 0.00 -1.09 0.00 0.00 33.01 31.50 1g90 s GLN 142 CO 0.00 -0.44 0.67 -0.06 -1.32 0.00 0.00 175.29 174.15 1g90 s PHE 143 N -3.38 3.23 -0.11 9.60 0.08 -1.26 -0.42 117.98 125.72 1g90 s PHE 143 Ca 0.31 0.25 -0.01 0.00 0.12 0.00 0.00 56.93 57.60 1g90 s PHE 143 Cb 0.04 -2.31 0.03 0.00 -0.57 0.00 0.00 43.02 40.21 1g90 s PHE 143 CO 0.16 -0.36 -0.04 0.99 -0.10 0.00 0.00 175.22 175.87 1g90 s THR 144 N -2.56 0.82 0.34 0.64 2.01 -1.26 -4.46 115.64 111.16 1g90 s THR 144 Ca 0.48 -0.23 -0.29 0.00 0.31 0.00 0.00 61.69 61.96 1g90 s THR 144 Cb -0.10 -0.93 -0.11 0.00 0.01 0.00 0.00 72.50 71.37 1g90 s THR 144 CO 0.38 0.27 1.48 0.21 -0.69 0.00 0.00 174.62 176.27 1g90 s ASN 145 N 1.78 6.45 -1.05 3.53 2.47 -1.26 -3.07 114.94 123.80 1g90 s ASN 145 Ca 0.04 2.93 -0.30 0.00 0.42 0.00 0.00 52.86 55.95 1g90 s ASN 145 Cb -0.13 -2.65 0.04 0.00 -1.45 0.00 0.00 41.25 37.06 1g90 s ASN 145 CO -0.07 -0.81 0.56 -3.20 -3.72 0.00 0.00 177.10 169.86 1g90 n ASN 146 N 1.10 -3.34 -4.56 -4.21 5.15 -1.26 -4.86 115.26 103.29 1g90 n ASN 146 Ca 0.03 -1.13 -0.18 0.00 -0.60 0.00 0.00 54.58 52.71 1g90 n ASN 146 Cb 0.39 -1.35 -0.06 0.00 -0.53 0.00 0.00 39.78 38.23 1g90 n ASN 146 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 1g90 s ILE 147 N -3.76 3.14 -5.00 -1.44 1.10 -1.17 -4.63 121.20 109.44 1g90 s ILE 147 Ca 0.41 -0.12 0.00 0.00 -0.51 0.00 0.00 60.65 60.44 1g90 s ILE 147 Cb -0.23 -3.33 0.00 0.00 0.15 0.00 0.00 42.46 39.05 1g90 s ILE 147 CO 0.84 -0.31 0.00 0.61 -2.11 0.00 0.00 174.94 173.97 1g90 n GLY 148 N 6.81 0.14 3.48 1.50 0.00 -1.25 -4.56 105.19 111.31 1g90 n GLY 148 Ca 0.44 -1.72 -0.11 0.00 0.00 0.00 0.00 46.02 44.63 1g90 n GLY 148 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1g90 s ASP 149 N -2.82 0.18 -1.30 1.61 2.15 -1.26 -4.93 116.67 110.30 1g90 s ASP 149 Ca 0.00 -1.16 -0.11 0.00 0.43 0.00 0.00 52.55 51.71 1g90 s ASP 149 Cb 0.00 0.56 0.09 0.00 -0.30 0.00 0.00 42.92 43.27 1g90 s ASP 149 CO 0.00 -1.11 0.51 0.00 -0.17 0.00 0.00 175.17 174.40 1g90 n ALA 150 N -0.40 -1.10 -0.73 3.66 0.00 -1.26 -0.55 120.51 120.14 1g90 n ALA 150 Ca -0.00 0.04 -0.03 0.00 0.00 0.00 0.00 53.44 53.45 1g90 n ALA 150 Cb 0.63 -2.71 -0.01 0.00 0.00 0.00 0.00 19.45 17.35 1g90 n ALA 150 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1g90 n HIS 151 N -3.91 -0.19 0.00 0.00 1.44 -1.26 -4.57 115.22 106.72 1g90 n HIS 151 Ca 0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.72 1g90 n HIS 151 Cb 0.52 -1.49 0.00 0.00 0.12 0.00 0.00 29.99 29.15 1g90 n HIS 151 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 1g90 n THR 152 N -1.14 0.00 -2.66 0.61 -2.24 0.28 -0.78 114.28 108.36 1g90 n THR 152 Ca -0.03 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 1g90 n THR 152 Cb 0.25 0.00 0.03 0.00 -2.10 0.00 0.00 70.33 68.51 1g90 n THR 152 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g90 n ILE 153 N 0.00 1.06 0.00 2.28 0.13 -1.26 -4.97 119.36 116.60 1g90 n ILE 153 Ca 0.00 -3.11 0.00 0.00 -1.10 0.00 0.00 62.75 58.54 1g90 n ILE 153 Cb 0.00 0.64 0.00 0.00 -0.84 0.00 0.00 39.64 39.44 1g90 n ILE 153 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1g90 n GLY 154 N -0.11 1.45 3.86 4.50 0.00 0.04 -4.86 105.19 110.07 1g90 n GLY 154 Ca 0.10 -0.02 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 0.00 4.61 0.15 2.61 -1.32 -1.26 -5.00 115.64 115.43 1g90 s THR 155 Ca 0.00 0.94 0.05 0.00 -1.21 0.00 0.00 61.69 61.47 1g90 s THR 155 Cb 0.00 -3.80 -0.04 0.00 -1.51 0.00 0.00 72.50 67.15 1g90 s THR 155 CO 0.00 -1.02 -0.11 -0.13 -2.21 0.00 0.00 174.62 171.15 1g90 s ARG 156 N -4.91 1.08 1.27 7.08 0.52 -1.26 -4.35 118.95 118.38 1g90 s ARG 156 Ca 0.56 -1.44 -0.21 0.00 -0.52 0.00 0.00 55.73 54.12 1g90 s ARG 156 Cb -0.11 -0.69 0.32 0.00 0.52 0.00 0.00 34.95 34.99 1g90 s ARG 156 CO 0.49 0.09 0.91 -0.35 0.02 0.00 0.00 175.30 176.46 1g90 n PRO 157 N -0.14 -3.91 -3.83 3.54 -0.04 -1.26 -5.08 135.00 124.28 1g90 n PRO 157 Ca -0.11 -1.49 -0.23 0.00 -0.04 0.00 0.00 63.50 61.63 1g90 n PRO 157 Cb 0.60 -1.66 -0.17 0.00 -0.04 0.00 0.00 33.50 32.23 1g90 n PRO 157 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1g90 s ASP 158 N -3.62 1.55 0.00 3.54 2.15 -1.26 -4.88 116.67 114.15 1g90 s ASP 158 Ca 0.64 -0.11 0.03 0.00 0.43 0.00 0.00 52.55 53.55 1g90 s ASP 158 Cb -0.09 -0.47 0.01 0.00 -0.30 0.00 0.00 42.92 42.07 1g90 s ASP 158 CO 0.52 -0.17 0.47 -3.20 -0.17 0.00 0.00 175.17 172.61 1g90 n ASN 159 N 4.99 0.95 0.00 -0.34 4.05 -1.26 -5.10 115.26 118.55 1g90 n ASN 159 Ca -0.10 -0.97 0.00 0.00 0.45 0.00 0.00 54.58 53.96 1g90 n ASN 159 Cb 0.50 0.30 0.00 0.00 1.23 0.00 0.00 39.78 41.82 1g90 n ASN 159 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1g90 n GLY 160 N 0.47 1.82 3.05 8.20 0.00 -1.26 -3.84 105.19 113.62 1g90 n GLY 160 Ca 0.02 0.41 -0.12 0.00 0.00 0.00 0.00 46.02 46.32 1g90 n GLY 160 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1g90 s MET 161 N 0.00 0.22 0.54 1.61 1.75 0.44 -4.21 119.30 119.65 1g90 s MET 161 Ca 0.00 0.76 -0.17 0.00 -1.25 0.00 0.00 55.69 55.03 1g90 s MET 161 Cb 0.00 -0.08 -0.07 0.00 2.84 0.00 0.00 34.83 37.53 1g90 s MET 161 CO 0.00 -0.35 1.01 -1.17 -0.65 0.00 0.00 175.02 173.86 1g90 s LEU 162 N 2.48 3.60 0.08 4.11 0.20 -0.25 -0.61 118.68 128.29 1g90 s LEU 162 Ca 0.02 1.66 0.03 0.00 0.69 0.00 0.00 54.13 56.54 1g90 s LEU 162 Cb -0.13 -4.52 -0.03 0.00 -0.43 0.00 0.00 46.19 41.08 1g90 s LEU 162 CO -0.11 -0.77 -0.09 -0.44 -0.29 0.00 0.00 176.35 174.66 1g90 s SER 163 N -2.91 1.25 0.09 3.68 0.01 -0.26 0.07 113.70 115.63 1g90 s SER 163 Ca 0.61 -0.79 0.04 0.00 1.31 0.00 0.00 55.95 57.11 1g90 s SER 163 Cb -0.12 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.11 1g90 s SER 163 CO 0.32 -0.29 -0.11 -1.48 0.41 0.00 0.00 173.24 172.09 1g90 s LEU 164 N -2.37 2.36 0.25 2.44 0.05 -0.28 -0.77 118.68 120.36 1g90 s LEU 164 Ca 0.03 -0.74 -0.21 0.00 0.05 0.00 0.00 54.13 53.27 1g90 s LEU 164 Cb -0.03 -0.34 0.06 0.00 -2.05 0.00 0.00 46.19 43.83 1g90 s LEU 164 CO -0.01 -0.21 0.90 -0.83 -0.55 0.00 0.00 176.35 175.65 1g90 s GLY 165 N -2.19 0.08 0.12 -3.48 0.00 0.73 0.07 107.32 102.64 1g90 s GLY 165 Ca 0.02 -0.35 -0.02 0.00 0.00 0.00 0.00 44.72 44.37 1g90 s GLY 165 CO 0.01 0.67 0.07 -1.34 0.00 0.00 0.00 173.10 172.51 1g90 s VAL 166 N -2.72 0.12 0.15 1.40 -7.23 -0.62 -0.74 120.40 110.76 1g90 s VAL 166 Ca 0.16 -1.79 -0.18 0.00 -1.81 0.00 0.00 61.98 58.36 1g90 s VAL 166 Cb -0.04 -1.88 0.04 0.00 0.56 0.00 0.00 36.38 35.07 1g90 s VAL 166 CO 0.07 -0.56 0.49 -0.44 -0.31 0.00 0.00 175.10 174.34 1g90 s SER 167 N -3.00 -0.33 0.16 4.85 0.01 0.69 -0.77 113.70 115.30 1g90 s SER 167 Ca 0.19 -0.27 0.03 0.00 1.31 0.00 0.00 55.95 57.21 1g90 s SER 167 Cb 0.07 0.54 -0.03 0.00 0.21 0.00 0.00 66.02 66.80 1g90 s SER 167 CO -0.01 -0.94 0.27 -0.47 0.41 0.00 0.00 173.24 172.50 1g90 s TYR 168 N -3.81 3.44 0.40 2.43 5.04 0.70 -0.31 117.35 125.25 1g90 s TYR 168 Ca 0.04 0.08 -0.04 0.00 -2.44 0.00 0.00 57.07 54.71 1g90 s TYR 168 Cb 0.00 -1.63 -0.04 0.00 0.35 0.00 0.00 41.96 40.64 1g90 s TYR 168 CO -0.10 0.51 0.68 -0.98 -1.34 0.00 0.00 175.55 174.32 1g90 s ARG 169 N -3.32 3.56 -0.24 4.97 1.70 0.03 -0.82 118.95 124.83 1g90 s ARG 169 Ca 0.34 0.04 -0.29 0.00 -0.47 0.00 0.00 55.73 55.35 1g90 s ARG 169 Cb -0.11 -2.50 -0.01 0.00 -0.57 0.00 0.00 34.95 31.76 1g90 s ARG 169 CO 0.28 -0.02 1.40 0.12 -1.08 0.00 0.00 175.30 176.00 1g90 s PHE 170 N -2.48 2.51 0.00 5.89 2.19 0.25 -4.89 117.98 121.44 1g90 s PHE 170 Ca 0.45 0.77 0.00 0.00 0.33 0.00 0.00 56.93 58.48 1g90 s PHE 170 Cb -0.10 -3.87 0.00 0.00 -1.31 0.00 0.00 43.02 37.74 1g90 s PHE 170 CO 0.39 -2.16 0.00 0.41 1.83 0.00 0.00 175.22 175.68 1g90 n GLY 171 N 4.29 4.01 5.00 13.12 0.00 -1.26 -4.78 105.19 125.57 1g90 n GLY 171 Ca 0.16 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.33 1g90 n GLY 171 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g90 n GLN 172 N -1.41 0.00 -0.50 1.61 6.02 -1.26 -4.42 117.38 117.42 1g90 n GLN 172 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 1g90 n GLN 172 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 1g90 n GLN 172 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1g90 n GLY 173 N 0.00 2.20 2.36 1.08 0.00 -1.26 -4.74 105.19 104.83 1g90 n GLY 173 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 1.89 3.67 0.00 1.61 1.02 -1.26 -4.88 120.64 122.68 1g90 n GLU 174 Ca 0.09 -2.31 0.00 0.00 -0.02 0.00 0.00 57.16 54.93 1g90 n GLU 174 Cb 0.48 -2.84 0.00 0.00 -0.02 0.00 0.00 31.44 29.06 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 3.75 0.00 -1.70 0.62 0.00 -1.26 -5.13 120.51 116.79 1g90 n ALA 175 Ca 0.75 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.19 1g90 n ALA 175 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.70 1g90 n ALA 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50