#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zia s ASP 2 N 0.00 3.51 0.24 0.00 1.01 -1.26 -1.63 116.67 118.54 1zia s ASP 2 Ca 0.00 -0.39 0.05 0.00 0.71 0.00 0.00 52.55 52.92 1zia s ASP 2 Cb 0.00 -0.98 -0.05 0.00 1.01 0.00 0.00 42.92 42.90 1zia s ASP 2 CO 0.00 0.26 -0.05 -0.36 0.21 0.00 0.00 175.17 175.23 1zia s PHE 3 N -0.23 1.73 0.01 4.23 0.40 -0.24 -4.98 117.98 118.90 1zia s PHE 3 Ca -0.01 -0.77 0.05 0.00 -0.60 0.00 0.00 56.93 55.60 1zia s PHE 3 Cb -0.13 -0.97 -0.02 0.00 0.51 0.00 0.00 43.02 42.42 1zia s PHE 3 CO 0.03 0.15 -0.16 -1.21 0.70 0.00 0.00 175.22 174.74 1zia s GLU 4 N -3.77 1.17 -0.09 0.44 2.02 -1.26 -1.28 118.70 115.92 1zia s GLU 4 Ca 0.27 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.63 1zia s GLU 4 Cb 0.04 -1.16 0.02 0.00 0.10 0.00 0.00 34.13 33.13 1zia s GLU 4 CO 0.09 0.31 -0.11 0.08 0.02 0.00 0.00 175.26 175.65 1zia s VAL 5 N -0.54 1.18 0.03 2.63 1.01 -0.10 -4.61 120.40 120.00 1zia s VAL 5 Ca 0.05 -0.44 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 1zia s VAL 5 Cb -0.07 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1zia s VAL 5 CO 0.00 0.38 0.36 -1.00 0.00 0.00 0.00 175.10 174.84 1zia s HIS 6 N 1.15 3.63 -0.33 5.22 3.76 -0.02 -0.41 115.29 128.28 1zia s HIS 6 Ca -0.05 0.80 -0.08 0.00 -0.15 0.00 0.00 55.06 55.57 1zia s HIS 6 Cb -0.14 -2.15 0.02 0.00 1.11 0.00 0.00 32.58 31.41 1zia s HIS 6 CO -0.02 0.59 0.13 -1.64 -0.85 0.00 0.00 174.74 172.95 1zia s MET 7 N -1.55 2.96 0.12 1.40 -1.94 0.07 -0.87 119.30 119.49 1zia s MET 7 Ca 0.28 -0.96 0.07 0.00 -1.71 0.00 0.00 55.69 53.37 1zia s MET 7 Cb -0.14 -3.52 -0.04 0.00 2.01 0.00 0.00 34.83 33.14 1zia s MET 7 CO 0.15 -0.56 -0.17 -0.51 -0.01 0.00 0.00 175.02 173.92 1zia s LEU 8 N 1.51 2.37 0.24 -0.03 2.01 -0.34 -2.14 118.68 122.30 1zia s LEU 8 Ca 0.02 -0.76 0.04 0.00 0.01 0.00 0.00 54.13 53.44 1zia s LEU 8 Cb -0.18 -0.73 0.28 0.00 0.01 0.00 0.00 46.19 45.56 1zia s LEU 8 CO 0.04 -0.04 1.58 0.78 1.01 0.00 0.00 176.35 179.72 1zia h ASN 9 N 3.71 0.29 -3.82 2.29 -0.26 -1.93 -1.97 115.58 113.90 1zia h ASN 9 Ca -0.43 -0.16 -0.09 0.00 -0.56 0.00 0.00 56.30 55.06 1zia h ASN 9 Cb 1.19 -0.08 -0.23 0.00 -1.06 0.00 0.00 38.32 38.14 1zia h ASN 9 CO 0.46 0.80 -0.12 -1.59 -1.06 0.00 0.00 177.43 175.91 1zia s LYS 10 N -3.85 0.59 0.00 0.81 -2.85 -1.26 -0.42 119.74 112.75 1zia s LYS 10 Ca -0.04 0.75 0.00 0.00 -1.00 0.00 0.00 55.97 55.67 1zia s LYS 10 Cb 0.12 0.26 0.00 0.00 -2.06 0.00 0.00 37.83 36.15 1zia s LYS 10 CO 0.80 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 176.57 1zia n GLY 11 N 3.01 3.78 0.36 0.59 0.00 -0.56 -4.98 105.19 107.39 1zia n GLY 11 Ca -0.15 -1.41 0.03 0.00 0.00 0.00 0.00 46.02 44.49 1zia n GLY 11 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1zia h LYS 12 N 0.00 1.06 -0.05 1.61 3.64 -2.01 -1.15 116.57 119.67 1zia h LYS 12 Ca 0.00 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1zia h LYS 12 Cb 0.00 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.58 1zia h LYS 12 CO 0.00 0.70 0.00 -3.47 -2.27 0.00 0.00 179.45 174.41 1zia n ASP 13 N -4.55 0.27 0.00 4.20 2.03 -1.26 -5.02 116.55 112.22 1zia n ASP 13 Ca 0.16 -2.00 0.00 0.00 0.52 0.00 0.00 54.79 53.47 1zia n ASP 13 Cb 0.23 -0.03 0.00 0.00 -0.72 0.00 0.00 41.12 40.59 1zia n ASP 13 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1zia n GLY 14 N 0.58 -0.65 3.82 0.27 0.00 -0.44 -5.02 105.19 103.76 1zia n GLY 14 Ca 0.02 -2.15 -0.33 0.00 0.00 0.00 0.00 46.02 43.55 1zia n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zia s ALA 15 N -2.00 3.08 -0.52 4.61 0.00 -1.26 -1.50 121.76 124.17 1zia s ALA 15 Ca 0.00 0.37 -0.17 0.00 0.00 0.00 0.00 51.96 52.16 1zia s ALA 15 Cb 0.00 -3.11 0.02 0.00 0.00 0.00 0.00 23.12 20.03 1zia s ALA 15 CO 0.00 0.15 0.63 -1.33 0.00 0.00 0.00 175.76 175.21 1zia n MET 16 N -0.55 -2.05 -4.28 0.00 2.81 0.44 -4.83 117.12 108.65 1zia n MET 16 Ca 0.06 1.79 -0.16 0.00 -1.81 0.00 0.00 57.70 57.58 1zia n MET 16 Cb 0.54 -4.76 -0.10 0.00 -0.71 0.00 0.00 33.22 28.18 1zia n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1zia s VAL 17 N -2.48 1.39 -0.14 2.03 -7.23 -0.74 -3.51 120.40 109.73 1zia s VAL 17 Ca 0.22 -2.05 -0.07 0.00 -1.81 0.00 0.00 61.98 58.27 1zia s VAL 17 Cb -0.05 -1.85 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 1zia s VAL 17 CO 0.80 -0.63 0.12 -0.36 -0.31 0.00 0.00 175.10 174.71 1zia s PHE 18 N -2.98 3.51 -0.15 2.82 0.08 -1.26 -1.20 117.98 118.80 1zia s PHE 18 Ca 0.17 0.44 -0.00 0.00 0.12 0.00 0.00 56.93 57.65 1zia s PHE 18 Cb -0.00 -1.97 0.04 0.00 -0.57 0.00 0.00 43.02 40.51 1zia s PHE 18 CO 0.03 0.60 -0.06 -1.21 -0.10 0.00 0.00 175.22 174.48 1zia s GLU 19 N -0.68 1.47 0.60 0.44 2.02 -0.05 -2.83 118.70 119.67 1zia s GLU 19 Ca 0.13 -0.45 -0.13 0.00 0.02 0.00 0.00 54.97 54.53 1zia s GLU 19 Cb -0.12 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.16 1zia s GLU 19 CO 0.02 -0.39 1.02 -1.25 0.02 0.00 0.00 175.26 174.69 1zia s PRO 20 N 1.65 3.58 0.00 0.39 0.04 -1.26 -0.84 135.00 138.55 1zia s PRO 20 Ca 0.02 0.88 0.25 0.00 0.04 0.00 0.00 61.00 62.20 1zia s PRO 20 Cb -0.15 -2.08 0.59 0.00 0.04 0.00 0.00 34.50 32.90 1zia s PRO 20 CO -0.08 -0.58 1.46 0.00 0.04 0.00 0.00 177.00 177.84 1zia n ALA 21 N -2.39 3.29 -3.73 8.56 0.00 -1.13 -4.82 120.51 120.30 1zia n ALA 21 Ca 0.07 -0.43 -0.17 0.00 0.00 0.00 0.00 53.44 52.91 1zia n ALA 21 Cb 0.54 -1.08 -0.17 0.00 0.00 0.00 0.00 19.45 18.74 1zia n ALA 21 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1zia s SER 22 N -2.62 0.50 -0.12 0.00 0.01 -1.26 -1.01 113.70 109.20 1zia s SER 22 Ca 0.20 0.02 -0.11 0.00 1.31 0.00 0.00 55.95 57.37 1zia s SER 22 Cb 0.19 -0.15 0.03 0.00 0.21 0.00 0.00 66.02 66.29 1zia s SER 22 CO 0.58 -0.15 0.33 -0.22 0.41 0.00 0.00 173.24 174.19 1zia s LEU 23 N 1.35 0.70 -0.15 2.44 2.96 -0.95 -4.99 118.68 120.05 1zia s LEU 23 Ca -0.05 0.67 -0.00 0.00 -0.22 0.00 0.00 54.13 54.52 1zia s LEU 23 Cb -0.13 1.13 -0.01 0.00 0.50 0.00 0.00 46.19 47.68 1zia s LEU 23 CO -0.03 -0.12 -0.13 -0.75 -1.32 0.00 0.00 176.35 174.00 1zia s LYS 24 N 0.25 3.31 0.38 1.98 2.20 -1.26 -0.42 119.74 126.18 1zia s LYS 24 Ca -0.01 -0.71 0.04 0.00 -0.36 0.00 0.00 55.97 54.93 1zia s LYS 24 Cb -0.03 -2.66 -0.05 0.00 -1.51 0.00 0.00 37.83 33.59 1zia s LYS 24 CO -0.00 0.10 0.07 0.14 -0.36 0.00 0.00 175.35 175.30 1zia s VAL 25 N 0.64 1.02 0.23 4.02 -7.23 0.08 -4.96 120.40 114.20 1zia s VAL 25 Ca -0.07 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.12 1zia s VAL 25 Cb -0.16 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.16 1zia s VAL 25 CO 0.03 0.00 0.38 0.00 -0.31 0.00 0.00 175.10 175.20 1zia s ALA 26 N -3.20 3.88 0.11 1.32 0.00 -1.26 -0.76 121.76 121.86 1zia s ALA 26 Ca 0.29 -1.07 -0.34 0.00 0.00 0.00 0.00 51.96 50.84 1zia s ALA 26 Cb 0.06 -1.85 -0.14 0.00 0.00 0.00 0.00 23.12 21.19 1zia s ALA 26 CO 0.14 0.29 1.60 -2.30 0.00 0.00 0.00 175.76 175.49 1zia n PRO 27 N -1.17 2.04 0.00 0.00 -0.02 -1.26 -1.06 135.00 133.53 1zia n PRO 27 Ca -0.07 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1zia n PRO 27 Cb 0.56 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 1zia n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1zia n GLY 28 N 3.47 2.27 3.75 -1.23 0.00 -0.26 -5.04 105.19 108.16 1zia n GLY 28 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1zia n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zia s ASP 29 N -1.61 4.25 0.02 1.61 1.01 -0.22 -4.68 116.67 117.05 1zia s ASP 29 Ca 0.00 1.80 0.06 0.00 0.71 0.00 0.00 52.55 55.13 1zia s ASP 29 Cb 0.00 -2.48 -0.03 0.00 1.01 0.00 0.00 42.92 41.42 1zia s ASP 29 CO 0.00 -2.19 -0.17 -0.89 0.21 0.00 0.00 175.17 172.13 1zia s THR 30 N -2.89 2.84 -0.07 -1.27 2.01 -0.65 -1.77 115.64 113.84 1zia s THR 30 Ca 0.62 -1.10 0.02 0.00 0.31 0.00 0.00 61.69 61.54 1zia s THR 30 Cb -0.18 -2.18 0.02 0.00 0.01 0.00 0.00 72.50 70.17 1zia s THR 30 CO 0.56 0.38 -0.11 -0.69 -0.69 0.00 0.00 174.62 174.08 1zia s VAL 31 N -0.89 1.05 -0.19 3.82 1.01 -0.16 -1.08 120.40 123.96 1zia s VAL 31 Ca 0.14 -0.41 -0.07 0.00 0.00 0.00 0.00 61.98 61.63 1zia s VAL 31 Cb -0.11 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 1zia s VAL 31 CO 0.04 0.34 0.06 -0.89 0.00 0.00 0.00 175.10 174.66 1zia s THR 32 N 0.83 4.71 -0.34 3.92 2.01 -0.40 -1.33 115.64 125.03 1zia s THR 32 Ca -0.12 -0.06 -0.14 0.00 0.31 0.00 0.00 61.69 61.68 1zia s THR 32 Cb -0.15 -3.14 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 1zia s THR 32 CO 0.02 0.44 0.31 -0.36 -0.69 0.00 0.00 174.62 174.33 1zia s PHE 33 N 0.60 3.22 -0.19 4.92 0.08 0.01 -0.92 117.98 125.70 1zia s PHE 33 Ca 0.03 -0.09 -0.06 0.00 0.12 0.00 0.00 56.93 56.93 1zia s PHE 33 Cb -0.13 -2.58 -0.03 0.00 -0.57 0.00 0.00 43.02 39.70 1zia s PHE 33 CO 0.01 -0.39 0.03 0.42 -0.10 0.00 0.00 175.22 175.19 1zia s ILE 34 N 1.89 4.40 -1.38 0.64 1.01 0.45 -1.91 121.20 126.31 1zia s ILE 34 Ca 0.09 -0.17 -0.15 0.00 0.00 0.00 0.00 60.65 60.42 1zia s ILE 34 Cb -0.17 -2.98 0.07 0.00 0.01 0.00 0.00 42.46 39.39 1zia s ILE 34 CO 0.11 0.45 1.98 -0.81 0.00 0.00 0.00 174.94 176.67 1zia n PRO 35 N 3.81 3.06 -0.16 2.79 -0.04 -1.26 -0.75 135.00 142.44 1zia n PRO 35 Ca -0.17 -2.98 -0.08 0.00 -0.04 0.00 0.00 63.50 60.23 1zia n PRO 35 Cb 0.52 -3.34 0.01 0.00 -0.04 0.00 0.00 33.50 30.65 1zia n PRO 35 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1zia h THR 36 N 4.62 1.17 -3.07 0.52 2.02 -1.92 -3.40 112.91 112.85 1zia h THR 36 Ca 0.50 -0.45 -0.62 0.00 0.77 0.00 0.00 66.41 66.60 1zia h THR 36 Cb 0.74 0.61 -0.09 0.00 -1.74 0.00 0.00 68.15 67.67 1zia h THR 36 CO 1.68 0.18 -0.61 -1.81 0.37 0.00 0.00 175.52 175.33 1zia s ASP 37 N -5.79 5.38 0.56 4.18 1.01 -0.91 -5.05 116.67 116.05 1zia s ASP 37 Ca -0.13 -0.10 -0.09 0.00 0.71 0.00 0.00 52.55 52.94 1zia s ASP 37 Cb 0.11 -1.38 -0.04 0.00 1.01 0.00 0.00 42.92 42.62 1zia s ASP 37 CO 0.75 0.14 0.94 -0.54 0.21 0.00 0.00 175.17 176.67 1zia s LYS 38 N -2.59 3.60 0.00 8.23 -0.14 -1.26 -4.43 119.74 123.14 1zia s LYS 38 Ca 0.29 0.57 0.00 0.00 -1.36 0.00 0.00 55.97 55.47 1zia s LYS 38 Cb -0.11 -2.19 0.00 0.00 -1.68 0.00 0.00 37.83 33.85 1zia s LYS 38 CO 0.21 -0.42 0.00 0.41 -0.76 0.00 0.00 175.35 174.79 1zia n GLY 39 N -2.50 0.80 3.45 -3.33 0.00 -1.26 -4.99 105.19 97.36 1zia n GLY 39 Ca 0.04 -0.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.67 1zia n GLY 39 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1zia s HIS 40 N -2.00 2.19 0.09 1.61 3.76 -1.26 -4.88 115.29 114.80 1zia s HIS 40 Ca 0.00 -0.37 0.01 0.00 -0.15 0.00 0.00 55.06 54.55 1zia s HIS 40 Cb 0.00 -0.96 -0.00 0.00 1.11 0.00 0.00 32.58 32.72 1zia s HIS 40 CO 0.00 0.65 0.10 0.27 -0.85 0.00 0.00 174.74 174.91 1zia n ASN 41 N -0.55 -0.27 -3.98 1.40 6.94 -1.26 -1.70 115.26 115.83 1zia n ASN 41 Ca -0.06 -1.55 -0.16 0.00 -0.02 0.00 0.00 54.58 52.80 1zia n ASN 41 Cb 0.60 0.55 -0.14 0.00 -2.36 0.00 0.00 39.78 38.43 1zia n ASN 41 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 1zia s VAL 42 N -2.43 0.47 -0.07 3.53 0.11 -1.26 -4.20 120.40 116.54 1zia s VAL 42 Ca 0.09 -0.37 -0.13 0.00 -2.93 0.00 0.00 61.98 58.64 1zia s VAL 42 Cb 0.00 -0.42 0.03 0.00 -1.53 0.00 0.00 36.38 34.46 1zia s VAL 42 CO 0.07 0.05 0.32 -0.70 -3.33 0.00 0.00 175.10 171.50 1zia s GLU 43 N -0.36 0.51 0.41 1.54 2.12 0.40 -0.33 118.70 123.00 1zia s GLU 43 Ca 0.00 0.16 -0.23 0.00 0.36 0.00 0.00 54.97 55.26 1zia s GLU 43 Cb -0.03 0.24 -0.09 0.00 0.26 0.00 0.00 34.13 34.50 1zia s GLU 43 CO -0.00 -0.11 1.05 0.95 -0.54 0.00 0.00 175.26 176.61 1zia s THR 44 N -0.51 3.72 -0.00 -1.70 -4.23 -0.57 0.33 115.64 112.68 1zia s THR 44 Ca -0.06 1.28 -0.26 0.00 -1.18 0.00 0.00 61.69 61.47 1zia s THR 44 Cb -0.04 -3.64 -0.04 0.00 1.34 0.00 0.00 72.50 70.12 1zia s THR 44 CO 0.02 -0.03 0.82 -0.63 -0.54 0.00 0.00 174.62 174.26 1zia s ILE 45 N -1.70 4.86 0.21 2.99 1.01 -0.25 -4.79 121.20 123.53 1zia s ILE 45 Ca 0.59 1.72 -0.32 0.00 0.00 0.00 0.00 60.65 62.64 1zia s ILE 45 Cb -0.21 -4.16 -0.13 0.00 0.01 0.00 0.00 42.46 37.96 1zia s ILE 45 CO 0.27 0.27 1.53 0.29 0.00 0.00 0.00 174.94 177.29 1zia n LYS 46 N 3.44 2.24 -0.97 2.79 5.02 -1.26 -1.03 118.16 128.39 1zia n LYS 46 Ca 0.01 0.80 0.00 0.00 -2.02 0.00 0.00 58.31 57.10 1zia n LYS 46 Cb 0.51 -2.54 0.00 0.00 -0.02 0.00 0.00 35.03 32.98 1zia n LYS 46 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1zia n GLY 47 N 2.81 0.65 1.88 0.72 0.00 -1.26 -4.86 105.19 105.13 1zia n GLY 47 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1zia n GLY 47 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1zia n MET 48 N -2.22 2.60 -4.31 1.61 2.81 -0.20 -4.55 117.12 112.85 1zia n MET 48 Ca 0.00 -3.72 -0.18 0.00 -1.81 0.00 0.00 57.70 51.98 1zia n MET 48 Cb 0.03 -1.86 -0.14 0.00 -0.71 0.00 0.00 33.22 30.55 1zia n MET 48 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 1zia s ILE 49 N -3.86 0.85 0.94 2.02 -4.36 -1.26 -0.80 121.20 114.73 1zia s ILE 49 Ca 0.43 -0.74 -0.12 0.00 -0.26 0.00 0.00 60.65 59.95 1zia s ILE 49 Cb 0.38 -0.77 0.16 0.00 1.25 0.00 0.00 42.46 43.48 1zia s ILE 49 CO -0.01 0.03 1.12 -2.16 0.24 0.00 0.00 174.94 174.16 1zia s PRO 50 N -0.80 0.87 0.33 0.37 0.04 -1.25 -4.95 135.00 129.61 1zia s PRO 50 Ca 0.01 0.38 -0.29 0.00 0.04 0.00 0.00 61.00 61.14 1zia s PRO 50 Cb -0.06 -1.80 -0.11 0.00 0.04 0.00 0.00 34.50 32.57 1zia s PRO 50 CO 0.00 -2.40 1.42 -0.51 0.04 0.00 0.00 177.00 175.56 1zia s ASP 51 N -3.81 6.55 0.00 6.66 1.01 -1.26 -2.45 116.67 123.37 1zia s ASP 51 Ca 0.64 2.85 0.00 0.00 0.71 0.00 0.00 52.55 56.76 1zia s ASP 51 Cb -0.16 -2.65 0.00 0.00 1.01 0.00 0.00 42.92 41.12 1zia s ASP 51 CO 0.55 -0.73 0.00 0.61 0.21 0.00 0.00 175.17 175.81 1zia n GLY 52 N 0.99 1.54 3.96 0.21 0.00 -1.26 -4.84 105.19 105.80 1zia n GLY 52 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 1zia n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zia s ALA 53 N -3.27 3.88 0.16 4.61 0.00 -1.02 -4.75 121.76 121.36 1zia s ALA 53 Ca 0.00 -1.13 0.08 0.00 0.00 0.00 0.00 51.96 50.90 1zia s ALA 53 Cb 0.00 -1.91 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 1zia s ALA 53 CO 0.00 0.02 -0.05 -1.83 0.00 0.00 0.00 175.76 173.91 1zia s GLU 54 N -4.21 2.26 0.68 0.00 -1.05 -1.26 -4.93 118.70 110.20 1zia s GLU 54 Ca 0.40 -1.14 -0.14 0.00 -0.15 0.00 0.00 54.97 53.94 1zia s GLU 54 Cb -0.09 -2.29 0.01 0.00 -0.44 0.00 0.00 34.13 31.32 1zia s GLU 54 CO 0.33 0.46 1.11 0.00 0.95 0.00 0.00 175.26 178.10 1zia s ALA 55 N -1.64 2.43 0.07 -0.84 0.00 -1.26 -5.06 121.76 115.46 1zia s ALA 55 Ca 0.26 0.49 -0.05 0.00 0.00 0.00 0.00 51.96 52.66 1zia s ALA 55 Cb -0.09 -3.31 -0.02 0.00 0.00 0.00 0.00 23.12 19.70 1zia s ALA 55 CO 0.17 -1.37 0.08 -0.59 0.00 0.00 0.00 175.76 174.04 1zia s PHE 56 N -2.46 0.33 -0.22 0.00 -0.12 -1.26 -5.02 117.98 109.23 1zia s PHE 56 Ca 0.66 -0.81 -0.07 0.00 -0.05 0.00 0.00 56.93 56.66 1zia s PHE 56 Cb -0.20 -0.22 0.10 0.00 -0.63 0.00 0.00 43.02 42.07 1zia s PHE 56 CO 0.45 -0.45 0.45 0.21 -0.05 0.00 0.00 175.22 175.83 1zia s LYS 57 N -3.79 0.37 0.70 1.99 2.20 -1.26 -1.52 119.74 118.43 1zia s LYS 57 Ca 0.05 1.04 -0.05 0.00 -0.36 0.00 0.00 55.97 56.65 1zia s LYS 57 Cb 0.06 0.33 0.08 0.00 -1.51 0.00 0.00 37.83 36.79 1zia s LYS 57 CO -0.10 -0.30 0.99 -1.54 -0.36 0.00 0.00 175.35 174.04 1zia s SER 58 N 2.66 4.69 0.28 1.43 1.04 0.56 -4.99 113.70 119.36 1zia s SER 58 Ca 0.00 0.23 -0.05 0.00 0.48 0.00 0.00 55.95 56.61 1zia s SER 58 Cb -0.12 -0.83 -0.05 0.00 0.10 0.00 0.00 66.02 65.11 1zia s SER 58 CO -0.14 -1.65 0.55 -0.54 0.98 0.00 0.00 173.24 172.44 1zia s LYS 59 N -5.19 3.65 0.26 4.02 -0.14 -1.26 -4.55 119.74 116.52 1zia s LYS 59 Ca 0.62 0.03 -0.31 0.00 -1.36 0.00 0.00 55.97 54.95 1zia s LYS 59 Cb -0.09 -2.65 -0.13 0.00 -1.68 0.00 0.00 37.83 33.28 1zia s LYS 59 CO 0.44 0.23 1.46 -0.89 -0.76 0.00 0.00 175.35 175.83 1zia n ILE 60 N -0.84 1.01 -0.88 2.17 2.08 -1.26 -2.41 119.36 119.23 1zia n ILE 60 Ca -0.01 -0.25 0.00 0.00 0.56 0.00 0.00 62.75 63.04 1zia n ILE 60 Cb 0.54 -1.63 0.00 0.00 -0.75 0.00 0.00 39.64 37.80 1zia n ILE 60 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1zia n ASN 61 N 2.11 -0.58 -4.86 4.38 3.02 -0.69 -4.98 115.26 113.67 1zia n ASN 61 Ca 0.10 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.32 1zia n ASN 61 Cb 0.33 -0.78 -0.06 0.00 -0.61 0.00 0.00 39.78 38.67 1zia n ASN 61 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1zia s GLU 62 N -0.31 3.91 -0.39 3.52 -1.05 -1.01 -4.82 118.70 118.55 1zia s GLU 62 Ca 0.00 0.45 -0.28 0.00 -0.15 0.00 0.00 54.97 54.99 1zia s GLU 62 Cb 0.00 -2.66 0.02 0.00 -0.44 0.00 0.00 34.13 31.05 1zia s GLU 62 CO 0.00 0.31 1.06 -0.80 0.95 0.00 0.00 175.26 176.78 1zia s ASN 63 N -2.18 6.76 -0.27 0.83 0.01 -1.26 -4.52 114.94 114.31 1zia s ASN 63 Ca 0.47 0.72 -0.04 0.00 -0.71 0.00 0.00 52.86 53.29 1zia s ASN 63 Cb -0.12 -2.52 0.01 0.00 0.41 0.00 0.00 41.25 39.03 1zia s ASN 63 CO 0.20 -1.01 0.01 -0.47 -1.51 0.00 0.00 177.10 174.32 1zia s TYR 64 N 3.89 3.10 -0.18 2.20 5.04 -0.80 -4.94 117.35 125.65 1zia s TYR 64 Ca 0.44 -1.20 -0.12 0.00 -2.44 0.00 0.00 57.07 53.75 1zia s TYR 64 Cb -0.10 -2.16 -0.05 0.00 0.35 0.00 0.00 41.96 40.00 1zia s TYR 64 CO 0.22 -0.63 0.22 0.21 -1.34 0.00 0.00 175.55 174.22 1zia s LYS 65 N 1.43 4.22 -0.08 4.97 2.36 -1.26 -0.81 119.74 130.57 1zia s LYS 65 Ca 0.02 -0.05 0.03 0.00 -2.55 0.00 0.00 55.97 53.42 1zia s LYS 65 Cb -0.17 -3.42 0.01 0.00 -1.05 0.00 0.00 37.83 33.20 1zia s LYS 65 CO -0.01 0.27 -0.17 0.08 1.55 0.00 0.00 175.35 177.07 1zia s VAL 66 N 0.42 1.49 -0.27 4.02 1.01 -0.44 -4.99 120.40 121.63 1zia s VAL 66 Ca 0.13 -0.69 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 1zia s VAL 66 Cb -0.12 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 1zia s VAL 66 CO 0.01 0.43 0.24 -0.89 0.00 0.00 0.00 175.10 174.89 1zia s THR 67 N 0.56 5.28 -0.13 3.92 2.01 -1.26 -0.99 115.64 125.03 1zia s THR 67 Ca -0.16 0.28 -0.26 0.00 0.31 0.00 0.00 61.69 61.86 1zia s THR 67 Cb -0.17 -3.57 -0.02 0.00 0.01 0.00 0.00 72.50 68.75 1zia s THR 67 CO 0.05 0.23 0.87 -0.36 -0.69 0.00 0.00 174.62 174.72 1zia s PHE 68 N 1.80 3.48 -0.01 4.92 0.08 -0.73 -4.96 117.98 122.56 1zia s PHE 68 Ca 0.09 1.37 -0.01 0.00 0.12 0.00 0.00 56.93 58.51 1zia s PHE 68 Cb -0.16 -3.04 -0.00 0.00 -0.57 0.00 0.00 43.02 39.25 1zia s PHE 68 CO 0.10 -0.17 -0.02 0.25 -0.10 0.00 0.00 175.22 175.28 1zia n THR 69 N 4.49 0.09 -2.07 0.64 -2.24 -1.26 -1.10 114.28 112.83 1zia n THR 69 Ca 0.05 0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 61.89 1zia n THR 69 Cb 0.49 -1.55 -0.03 0.00 -2.10 0.00 0.00 70.33 67.15 1zia n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zia s ALA 70 N -2.99 3.61 0.58 6.98 0.00 -1.26 -4.49 121.76 124.18 1zia s ALA 70 Ca -0.02 1.26 -0.18 0.00 0.00 0.00 0.00 51.96 53.03 1zia s ALA 70 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1zia s ALA 70 CO 0.02 -0.68 1.10 -1.25 0.00 0.00 0.00 175.76 174.95 1zia s PRO 71 N -0.13 3.24 0.00 0.00 0.04 -1.26 -4.91 135.00 131.98 1zia s PRO 71 Ca 0.60 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.09 1zia s PRO 71 Cb -0.40 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1zia s PRO 71 CO 0.40 -0.91 0.00 0.41 0.04 0.00 0.00 177.00 176.95 1zia n GLY 72 N -0.25 0.98 3.78 0.56 0.00 -0.59 -4.77 105.19 104.91 1zia n GLY 72 Ca 0.11 -1.98 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 1zia n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1zia s VAL 73 N -1.26 5.39 -0.15 1.61 1.01 -1.26 -0.55 120.40 125.19 1zia s VAL 73 Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.30 1zia s VAL 73 Cb 0.00 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.88 1zia s VAL 73 CO 0.00 0.49 -0.15 -0.31 0.00 0.00 0.00 175.10 175.13 1zia s TYR 74 N -0.12 2.78 -0.16 5.22 1.51 0.13 -3.89 117.35 122.81 1zia s TYR 74 Ca 0.13 -0.99 -0.10 0.00 -1.01 0.00 0.00 57.07 55.10 1zia s TYR 74 Cb -0.12 -1.88 -0.05 0.00 -0.11 0.00 0.00 41.96 39.80 1zia s TYR 74 CO 0.02 -0.44 0.16 0.20 -1.11 0.00 0.00 175.55 174.38 1zia s GLY 75 N 0.75 2.12 0.11 0.71 0.00 0.02 -1.17 107.32 109.85 1zia s GLY 75 Ca -0.06 -0.63 0.08 0.00 0.00 0.00 0.00 44.72 44.11 1zia s GLY 75 CO 0.01 -0.01 -0.20 -1.34 0.00 0.00 0.00 173.10 171.56 1zia s VAL 76 N -0.18 1.71 0.19 1.40 -7.23 -0.35 -1.09 120.40 114.85 1zia s VAL 76 Ca 0.12 -1.58 0.02 0.00 -1.81 0.00 0.00 61.98 58.73 1zia s VAL 76 Cb -0.12 -1.57 -0.05 0.00 0.56 0.00 0.00 36.38 35.20 1zia s VAL 76 CO 0.01 -0.09 0.03 -1.59 -0.31 0.00 0.00 175.10 173.15 1zia s LYS 77 N -1.99 1.18 -0.32 4.82 -2.85 0.15 -0.99 119.74 119.74 1zia s LYS 77 Ca 0.07 -1.59 -0.13 0.00 -1.00 0.00 0.00 55.97 53.32 1zia s LYS 77 Cb -0.10 -0.25 -0.03 0.00 -2.06 0.00 0.00 37.83 35.40 1zia s LYS 77 CO 0.04 -0.17 0.26 0.00 0.10 0.00 0.00 175.35 175.58 1zia h THR 79 N 5.46 0.15 0.00 0.00 2.02 -1.90 0.10 112.91 118.73 1zia h THR 79 Ca -0.32 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.77 1zia h THR 79 Cb 1.16 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1zia h THR 79 CO 0.62 0.00 -0.44 1.55 0.37 0.00 0.00 175.52 177.62 1zia h PRO 80 N -0.22 0.00 -0.35 6.66 0.13 -1.94 -3.20 132.00 133.08 1zia h PRO 80 Ca 0.20 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.30 1zia h PRO 80 Cb 0.56 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.67 1zia h PRO 80 CO -0.65 0.44 0.01 0.72 -0.23 0.00 0.00 178.00 178.29 1zia n HIS 81 N -3.61 1.24 -0.24 1.56 8.25 -0.59 -4.67 115.22 117.16 1zia n HIS 81 Ca -0.00 -0.92 -0.07 0.00 -0.26 0.00 0.00 57.72 56.46 1zia n HIS 81 Cb 0.54 -0.38 0.04 0.00 1.12 0.00 0.00 29.99 31.30 1zia n HIS 81 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1zia h TYR 82 N 2.16 1.07 0.00 4.41 3.20 -1.02 -1.73 116.97 125.06 1zia h TYR 82 Ca 0.03 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 1zia h TYR 82 Cb 1.61 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 39.56 1zia h TYR 82 CO 0.68 0.86 -0.04 0.78 -1.64 0.00 0.00 178.16 178.80 1zia h GLY 83 N 0.98 0.00 -0.98 1.82 0.00 -1.86 -1.52 103.07 101.51 1zia h GLY 83 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1zia h GLY 83 CO -0.01 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.56 1zia n MET 84 N -3.20 1.88 -0.61 4.80 2.81 -0.79 -4.60 117.12 117.41 1zia n MET 84 Ca -0.01 -1.29 0.00 0.00 -1.81 0.00 0.00 57.70 54.59 1zia n MET 84 Cb 0.24 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.29 1zia n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1zia n GLY 85 N 1.23 0.62 3.54 3.03 0.00 -0.57 -4.82 105.19 108.22 1zia n GLY 85 Ca 0.17 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 1zia n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1zia s MET 86 N -1.20 3.47 0.12 1.61 -2.45 -0.72 -4.69 119.30 115.44 1zia s MET 86 Ca 0.00 -0.97 -0.04 0.00 -1.25 0.00 0.00 55.69 53.43 1zia s MET 86 Cb 0.00 -4.98 -0.03 0.00 1.25 0.00 0.00 34.83 31.08 1zia s MET 86 CO 0.00 -2.13 0.12 0.14 1.05 0.00 0.00 175.02 174.20 1zia s VAL 87 N 4.86 0.12 0.29 10.11 -7.23 -1.26 -1.23 120.40 126.05 1zia s VAL 87 Ca 0.41 -1.67 -0.17 0.00 -1.81 0.00 0.00 61.98 58.74 1zia s VAL 87 Cb -0.03 -1.82 0.02 0.00 0.56 0.00 0.00 36.38 35.11 1zia s VAL 87 CO -0.03 -0.53 0.65 -0.83 -0.31 0.00 0.00 175.10 174.04 1zia s GLY 88 N -2.98 0.26 -0.02 2.32 0.00 -0.16 -4.45 107.32 102.28 1zia s GLY 88 Ca 0.17 -0.62 0.02 0.00 0.00 0.00 0.00 44.72 44.29 1zia s GLY 88 CO -0.02 -0.33 -0.06 0.14 0.00 0.00 0.00 173.10 172.83 1zia s VAL 89 N -3.63 0.50 -0.21 1.40 1.01 -0.18 -1.21 120.40 118.08 1zia s VAL 89 Ca 0.16 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1zia s VAL 89 Cb -0.04 -0.46 0.04 0.00 0.00 0.00 0.00 36.38 35.92 1zia s VAL 89 CO 0.09 0.17 -0.15 -0.69 0.00 0.00 0.00 175.10 174.52 1zia s VAL 90 N 0.22 2.02 -0.23 2.92 1.01 -0.32 -2.23 120.40 123.78 1zia s VAL 90 Ca -0.02 -1.21 -0.15 0.00 0.00 0.00 0.00 61.98 60.60 1zia s VAL 90 Cb -0.07 -1.99 -0.04 0.00 0.00 0.00 0.00 36.38 34.29 1zia s VAL 90 CO -0.00 0.25 0.36 -1.58 0.00 0.00 0.00 175.10 174.13 1zia s GLN 91 N 1.24 4.10 -0.38 2.72 0.74 0.44 -0.70 119.66 127.82 1zia s GLN 91 Ca -0.01 0.08 -0.09 0.00 0.05 0.00 0.00 55.36 55.38 1zia s GLN 91 Cb -0.16 -3.58 0.05 0.00 1.10 0.00 0.00 33.01 30.41 1zia s GLN 91 CO -0.09 -0.12 0.20 0.08 -0.55 0.00 0.00 175.29 174.81 1zia s VAL 92 N 1.57 4.23 0.00 1.34 1.01 0.29 -0.74 120.40 128.11 1zia s VAL 92 Ca 0.16 -1.13 0.00 0.00 0.00 0.00 0.00 61.98 61.00 1zia s VAL 92 Cb -0.15 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.77 1zia s VAL 92 CO 0.08 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.47 1zia n GLY 93 N 4.92 -1.29 3.88 4.51 0.00 0.06 -1.53 105.19 115.73 1zia n GLY 93 Ca -0.11 -1.60 -0.30 0.00 0.00 0.00 0.00 46.02 44.01 1zia n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zia s ASP 94 N -3.64 6.36 -1.01 1.61 1.01 -1.26 -4.54 116.67 115.20 1zia s ASP 94 Ca 0.00 1.24 -0.16 0.00 0.71 0.00 0.00 52.55 54.34 1zia s ASP 94 Cb 0.00 -2.38 0.01 0.00 1.01 0.00 0.00 42.92 41.56 1zia s ASP 94 CO 0.00 -0.65 0.69 0.00 0.21 0.00 0.00 175.17 175.42 1zia n ALA 95 N -2.14 -2.66 -1.74 5.23 0.00 -1.26 -4.86 120.51 113.09 1zia n ALA 95 Ca 0.04 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.73 1zia n ALA 95 Cb 0.54 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.72 1zia n ALA 95 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1zia s PRO 96 N -5.75 4.14 0.47 0.00 0.04 -1.26 -4.88 135.00 127.77 1zia s PRO 96 Ca 0.27 2.57 0.26 0.00 0.04 0.00 0.00 61.00 64.14 1zia s PRO 96 Cb -0.12 -3.64 0.76 0.00 0.04 0.00 0.00 34.50 31.54 1zia s PRO 96 CO 0.90 -0.84 1.76 0.00 0.04 0.00 0.00 177.00 178.85 1zia h ALA 97 N 8.73 0.98 -0.59 8.56 0.00 -1.89 -3.15 119.26 131.89 1zia h ALA 97 Ca -0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1zia h ALA 97 Cb 1.22 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1zia h ALA 97 CO 0.95 0.08 0.00 0.27 0.00 0.00 0.00 179.25 180.55 1zia n ASN 98 N -3.14 3.70 -0.21 0.00 6.94 -1.26 -4.63 115.26 116.66 1zia n ASN 98 Ca 0.02 -1.99 -0.01 0.00 -0.02 0.00 0.00 54.58 52.58 1zia n ASN 98 Cb 0.45 -0.39 0.10 0.00 -2.36 0.00 0.00 39.78 37.58 1zia n ASN 98 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1zia h LEU 99 N 4.09 0.37 -0.88 -4.53 5.85 -1.92 -0.85 115.31 117.44 1zia h LEU 99 Ca 0.00 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.72 1zia h LEU 99 Cb 0.96 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 1zia h LEU 99 CO 0.00 0.23 0.19 -0.33 -0.34 0.00 0.00 178.44 178.19 1zia h GLU 100 N 0.52 1.02 0.00 1.25 3.07 -1.85 -2.25 114.58 116.34 1zia h GLU 100 Ca 0.29 -0.21 -0.11 0.00 -0.50 0.00 0.00 59.36 58.82 1zia h GLU 100 Cb 0.28 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 1zia h GLU 100 CO -0.24 0.88 -0.54 0.00 -1.40 0.00 0.00 179.01 177.71 1zia h ALA 101 N 1.22 0.70 -0.37 3.43 0.00 -1.74 -3.11 119.26 119.39 1zia h ALA 101 Ca 0.22 -0.50 -0.13 0.00 0.00 0.00 0.00 54.91 54.50 1zia h ALA 101 Cb 0.30 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1zia h ALA 101 CO -0.01 0.68 -0.28 0.28 0.00 0.00 0.00 179.25 179.92 1zia h VAL 102 N 0.00 1.28 -0.04 0.00 2.07 -0.93 -2.91 116.25 115.72 1zia h VAL 102 Ca -0.01 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.06 1zia h VAL 102 Cb 1.32 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 1zia h VAL 102 CO 0.07 0.47 -0.14 0.11 0.02 0.00 0.00 177.57 178.10 1zia h LYS 103 N 0.67 0.06 -0.00 1.57 1.57 -1.34 -2.58 116.57 116.52 1zia h LYS 103 Ca 0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1zia h LYS 103 Cb 0.81 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.12 1zia h LYS 103 CO 0.07 0.20 -0.27 0.41 -0.57 0.00 0.00 179.45 179.29 1zia n GLY 104 N -1.06 -1.37 3.75 3.86 0.00 -1.13 -4.93 105.19 104.32 1zia n GLY 104 Ca -0.02 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 1zia n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zia s ALA 105 N -3.00 2.82 -0.15 4.61 0.00 -0.97 -4.98 121.76 120.08 1zia s ALA 105 Ca 0.12 1.30 -0.19 0.00 0.00 0.00 0.00 51.96 53.19 1zia s ALA 105 Cb 0.18 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 1zia s ALA 105 CO 0.62 -1.33 0.54 0.15 0.00 0.00 0.00 175.76 175.74 1zia s LYS 106 N -2.91 4.28 0.06 0.00 -0.14 -1.26 -5.07 119.74 114.69 1zia s LYS 106 Ca 0.71 0.51 -0.03 0.00 -1.36 0.00 0.00 55.97 55.80 1zia s LYS 106 Cb -0.39 -3.50 -0.03 0.00 -1.68 0.00 0.00 37.83 32.22 1zia s LYS 106 CO 0.46 -0.02 0.03 -0.80 -0.76 0.00 0.00 175.35 174.26 1zia s ASN 107 N 0.92 0.37 0.58 2.83 0.01 -1.26 -5.02 114.94 113.36 1zia s ASN 107 Ca 0.27 -0.86 -0.20 0.00 -0.71 0.00 0.00 52.86 51.36 1zia s ASN 107 Cb -0.16 0.23 -0.04 0.00 0.41 0.00 0.00 41.25 41.70 1zia s ASN 107 CO 0.11 -0.61 1.29 -2.84 -1.51 0.00 0.00 177.10 173.54 1zia s PRO 108 N -3.69 2.98 0.25 -0.60 0.01 -1.26 -4.60 135.00 128.09 1zia s PRO 108 Ca 0.05 2.06 -0.12 0.00 0.01 0.00 0.00 61.00 63.00 1zia s PRO 108 Cb 0.06 -2.08 0.36 0.00 0.01 0.00 0.00 34.50 32.85 1zia s PRO 108 CO -0.09 -1.26 1.57 -0.22 0.01 0.00 0.00 177.00 177.01 1zia h LYS 109 N 1.12 -0.01 -0.18 5.54 1.63 -1.96 0.15 116.57 122.87 1zia h LYS 109 Ca -0.51 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.21 1zia h LYS 109 Cb 1.31 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.93 1zia h LYS 109 CO 0.56 -0.01 -0.26 0.87 -3.45 0.00 0.00 179.45 177.16 1zia h LYS 110 N -0.01 0.33 -0.20 1.90 1.79 -1.91 -1.14 116.57 117.32 1zia h LYS 110 Ca 0.41 -0.12 -0.15 0.00 -2.18 0.00 0.00 60.65 58.61 1zia h LYS 110 Cb 0.64 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1zia h LYS 110 CO -0.93 0.57 -0.44 0.00 -1.08 0.00 0.00 179.45 177.57 1zia h ALA 111 N 1.43 0.33 -0.63 3.86 0.00 -1.50 -2.93 119.26 119.82 1zia h ALA 111 Ca 0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1zia h ALA 111 Cb 0.63 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1zia h ALA 111 CO 0.05 0.46 0.28 0.37 0.00 0.00 0.00 179.25 180.40 1zia h GLN 112 N 0.35 0.91 -0.57 0.00 5.75 -0.10 0.83 115.11 122.28 1zia h GLN 112 Ca 0.00 -0.13 0.05 0.00 -0.15 0.00 0.00 58.65 58.42 1zia h GLN 112 Cb 1.05 -0.17 -0.05 0.00 1.07 0.00 0.00 27.48 29.39 1zia h GLN 112 CO 0.10 0.73 0.30 0.93 -2.65 0.00 0.00 178.83 178.24 1zia h GLU 113 N 0.90 0.57 -0.07 1.69 5.08 -1.21 -0.92 114.58 120.61 1zia h GLU 113 Ca 0.22 -0.03 -0.23 0.00 -1.00 0.00 0.00 59.36 58.32 1zia h GLU 113 Cb 0.14 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.27 1zia h GLU 113 CO -0.02 0.38 -0.86 0.00 -1.00 0.00 0.00 179.01 177.50 1zia h ARG 114 N 0.58 0.62 -0.46 2.33 3.08 -1.26 -2.85 114.38 116.44 1zia h ARG 114 Ca 0.25 -0.57 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 1zia h ARG 114 Cb 0.13 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.30 1zia h ARG 114 CO -0.16 1.19 0.24 -0.07 -1.07 0.00 0.00 179.97 180.10 1zia h LEU 115 N 0.40 0.58 -0.78 3.04 3.38 -0.62 -0.68 115.31 120.62 1zia h LEU 115 Ca -0.07 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.83 1zia h LEU 115 Cb 1.49 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 42.04 1zia h LEU 115 CO 0.16 0.51 0.50 0.44 0.09 0.00 0.00 178.44 180.14 1zia h ASP 116 N 0.60 0.82 -0.41 -0.43 3.32 -1.21 0.34 116.42 119.45 1zia h ASP 116 Ca 0.16 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.17 1zia h ASP 116 Cb 0.07 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.42 1zia h ASP 116 CO -0.02 0.57 0.10 0.00 -1.72 0.00 0.00 179.24 178.16 1zia h ALA 117 N 1.33 0.55 -0.55 3.45 0.00 -1.34 -1.59 119.26 121.11 1zia h ALA 117 Ca 0.31 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1zia h ALA 117 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1zia h ALA 117 CO -0.11 0.22 -0.01 0.00 0.00 0.00 0.00 179.25 179.35 1zia h ALA 118 N 0.95 0.74 -0.61 0.00 0.00 -0.45 -1.65 119.26 118.23 1zia h ALA 118 Ca 0.13 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1zia h ALA 118 Cb 0.31 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1zia h ALA 118 CO 0.00 0.57 0.04 -0.07 0.00 0.00 0.00 179.25 179.80 1zia h LEU 119 N 0.85 1.00 -1.16 0.00 3.38 -0.25 -2.67 115.31 116.47 1zia h LEU 119 Ca 0.15 -0.26 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 1zia h LEU 119 Cb 0.55 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 1zia h LEU 119 CO 0.03 1.03 -0.41 0.00 0.09 0.00 0.00 178.44 179.18 1zia h ALA 120 N 1.08 1.28 0.00 1.53 0.00 -1.04 -1.77 119.26 120.34 1zia h ALA 120 Ca 0.18 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1zia h ALA 120 Cb 0.49 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1zia h ALA 120 CO 0.02 0.52 -0.06 0.00 0.00 0.00 0.00 179.25 179.73 1zia h ALA 121 N 1.59 1.15 -0.05 0.00 0.00 -0.94 -2.48 119.26 118.52 1zia h ALA 121 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1zia h ALA 121 Cb 0.75 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1zia h ALA 121 CO 0.05 0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.66 1zia n LEU 122 N -3.37 2.17 0.00 0.00 4.77 -1.06 -4.87 117.00 114.64 1zia n LEU 122 Ca -0.01 -0.75 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 1zia n LEU 122 Cb 0.22 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 1zia n LEU 122 CO 0.27 0.37 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1zia n GLY 123 N 1.25 1.98 3.27 -0.72 0.00 -0.94 -5.14 105.19 104.90 1zia n GLY 123 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1zia n GLY 123 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31