#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z1r s GLN 2 N 0.00 3.19 -0.19 0.54 0.74 -1.26 -5.10 119.66 117.59 1z1r s GLN 2 Ca 0.00 -0.73 -0.03 0.00 0.05 0.00 0.00 55.36 54.65 1z1r s GLN 2 Cb 0.00 -2.86 -0.01 0.00 1.10 0.00 0.00 33.01 31.24 1z1r s GLN 2 CO 0.00 -0.22 -0.06 0.42 -0.55 0.00 0.00 175.29 174.88 1z1r s ILE 3 N 1.40 3.44 0.49 -2.34 1.01 -1.26 -5.11 121.20 118.83 1z1r s ILE 3 Ca 0.05 -0.49 -0.03 0.00 0.00 0.00 0.00 60.65 60.18 1z1r s ILE 3 Cb -0.14 -2.53 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 1z1r s ILE 3 CO -0.07 0.46 0.76 0.42 0.00 0.00 0.00 174.94 176.51 1z1r s THR 4 N 0.97 4.26 -0.24 2.92 -4.23 -1.26 -5.04 115.64 113.03 1z1r s THR 4 Ca -0.00 -0.15 0.13 0.00 -1.18 0.00 0.00 61.69 60.49 1z1r s THR 4 Cb -0.15 -3.62 0.59 0.00 1.34 0.00 0.00 72.50 70.66 1z1r s THR 4 CO 0.00 -0.54 1.53 0.18 -0.54 0.00 0.00 174.62 175.26 1z1r n LEU 5 N -2.25 4.51 0.24 4.79 4.77 -1.26 -4.51 117.00 123.30 1z1r n LEU 5 Ca 0.01 -3.23 0.13 0.00 -0.03 0.00 0.00 56.01 52.89 1z1r n LEU 5 Cb 0.57 -0.62 0.56 0.00 -2.33 0.00 0.00 43.42 41.60 1z1r n LEU 5 CO 0.51 0.83 0.88 -0.50 -1.33 0.00 0.00 177.39 177.78 1z1r h TRP 6 N 1.89 0.00 -2.93 -1.77 4.06 -2.06 -3.43 115.95 111.72 1z1r h TRP 6 Ca 0.11 0.00 -0.49 0.00 2.06 0.00 0.00 58.89 60.57 1z1r h TRP 6 Cb 1.72 0.00 -0.15 0.00 -1.00 0.00 0.00 29.16 29.73 1z1r h TRP 6 CO 0.81 0.14 -0.75 0.15 -3.56 0.00 0.00 178.44 175.23 1z1r s LYS 7 N -3.70 1.35 0.23 0.49 1.02 -1.26 -5.10 119.74 112.77 1z1r s LYS 7 Ca 0.01 -1.55 -0.32 0.00 0.02 0.00 0.00 55.97 54.12 1z1r s LYS 7 Cb 0.10 -1.25 -0.12 0.00 -0.52 0.00 0.00 37.83 36.03 1z1r s LYS 7 CO 0.60 0.23 1.64 0.54 -0.92 0.00 0.00 175.35 177.44 1z1r n ARG 8 N -0.20 2.60 -2.04 1.68 1.74 -1.26 -4.85 116.66 114.33 1z1r n ARG 8 Ca -0.09 0.93 -0.38 0.00 -0.77 0.00 0.00 57.85 57.54 1z1r n ARG 8 Cb 0.59 -2.74 -0.03 0.00 -1.02 0.00 0.00 32.46 29.27 1z1r n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1z1r n PRO 9 N 3.26 2.35 -3.63 5.56 -0.04 -1.26 -4.92 135.00 136.32 1z1r n PRO 9 Ca 0.14 -2.68 -0.38 0.00 -0.04 0.00 0.00 63.50 60.55 1z1r n PRO 9 Cb 0.34 -3.45 -0.06 0.00 -0.04 0.00 0.00 33.50 30.29 1z1r n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1z1r s LEU 10 N 5.59 4.45 0.12 1.53 1.43 -1.26 -1.15 118.68 129.39 1z1r s LEU 10 Ca 0.58 0.80 -0.03 0.00 -1.03 0.00 0.00 54.13 54.45 1z1r s LEU 10 Cb 0.06 -2.41 -0.03 0.00 0.03 0.00 0.00 46.19 43.84 1z1r s LEU 10 CO 0.08 0.35 0.09 0.68 0.23 0.00 0.00 176.35 177.78 1z1r s VAL 11 N -1.06 0.11 -0.05 -1.59 -7.23 -0.01 -4.94 120.40 105.63 1z1r s VAL 11 Ca 0.21 -1.77 -0.18 0.00 -1.81 0.00 0.00 61.98 58.43 1z1r s VAL 11 Cb -0.15 -1.91 -0.05 0.00 0.56 0.00 0.00 36.38 34.83 1z1r s VAL 11 CO 0.10 -0.51 0.48 -0.89 -0.31 0.00 0.00 175.10 173.97 1z1r s THR 12 N -4.01 5.06 0.25 5.32 2.01 -1.26 -1.02 115.64 121.99 1z1r s THR 12 Ca 0.20 0.98 0.08 0.00 0.31 0.00 0.00 61.69 63.26 1z1r s THR 12 Cb 0.07 -3.81 -0.05 0.00 0.01 0.00 0.00 72.50 68.72 1z1r s THR 12 CO -0.01 0.44 -0.12 0.27 -0.69 0.00 0.00 174.62 174.51 1z1r s ILE 13 N -0.16 1.84 -0.13 1.82 -4.36 0.74 -4.67 121.20 116.28 1z1r s ILE 13 Ca 0.26 -2.21 0.01 0.00 -0.26 0.00 0.00 60.65 58.45 1z1r s ILE 13 Cb -0.16 -2.27 0.02 0.00 1.25 0.00 0.00 42.46 41.30 1z1r s ILE 13 CO 0.13 -0.43 -0.15 -0.60 0.24 0.00 0.00 174.94 174.12 1z1r s ARG 14 N -3.65 2.35 -0.04 0.37 3.52 -0.19 -1.06 118.95 120.25 1z1r s ARG 14 Ca 0.27 -0.59 -0.05 0.00 -0.13 0.00 0.00 55.73 55.22 1z1r s ARG 14 Cb 0.00 -2.06 0.01 0.00 -1.56 0.00 0.00 34.95 31.34 1z1r s ARG 14 CO 0.10 -0.15 0.13 -1.50 -0.81 0.00 0.00 175.30 173.08 1z1r s ILE 15 N 1.22 0.02 -1.78 4.11 2.07 0.34 -1.72 121.20 125.47 1z1r s ILE 15 Ca -0.01 -0.15 0.00 0.00 -1.41 0.00 0.00 60.65 59.08 1z1r s ILE 15 Cb -0.14 -0.24 0.00 0.00 0.13 0.00 0.00 42.46 42.21 1z1r s ILE 15 CO -0.06 -0.08 0.00 0.61 -1.91 0.00 0.00 174.94 173.49 1z1r n GLY 16 N 2.69 1.18 2.21 1.50 0.00 -1.26 -0.50 105.19 111.01 1z1r n GLY 16 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1z1r n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z1r n GLY 17 N -0.46 0.82 3.47 -0.02 0.00 -1.26 -5.02 105.19 102.72 1z1r n GLY 17 Ca -0.18 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.57 1z1r n GLY 17 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1z1r s GLN 18 N -0.19 1.69 -0.07 1.61 0.74 0.34 -5.12 119.66 118.66 1z1r s GLN 18 Ca 0.00 -1.42 -0.13 0.00 0.05 0.00 0.00 55.36 53.87 1z1r s GLN 18 Cb 0.00 -1.96 -0.05 0.00 1.10 0.00 0.00 33.01 32.10 1z1r s GLN 18 CO 0.00 0.42 0.32 -0.51 -0.55 0.00 0.00 175.29 174.97 1z1r s LEU 19 N -2.65 4.40 0.10 3.68 1.02 -1.26 -0.50 118.68 123.47 1z1r s LEU 19 Ca 0.21 0.74 -0.05 0.00 0.02 0.00 0.00 54.13 55.06 1z1r s LEU 19 Cb -0.08 -2.42 -0.02 0.00 0.02 0.00 0.00 46.19 43.69 1z1r s LEU 19 CO 0.11 0.29 0.11 -0.54 0.02 0.00 0.00 176.35 176.35 1z1r s LYS 20 N -0.70 0.84 -0.12 1.70 -0.14 -0.22 -4.98 119.74 116.11 1z1r s LYS 20 Ca 0.20 -1.16 -0.06 0.00 -1.36 0.00 0.00 55.97 53.58 1z1r s LYS 20 Cb -0.15 0.29 -0.04 0.00 -1.68 0.00 0.00 37.83 36.25 1z1r s LYS 20 CO 0.09 -0.24 0.12 -1.21 -0.76 0.00 0.00 175.35 173.34 1z1r s GLU 21 N -3.93 3.43 0.05 1.68 0.41 -1.26 -0.18 118.70 118.89 1z1r s GLU 21 Ca 0.11 -0.18 -0.09 0.00 -0.41 0.00 0.00 54.97 54.40 1z1r s GLU 21 Cb 0.06 -3.15 0.00 0.00 -1.78 0.00 0.00 34.13 29.27 1z1r s GLU 21 CO -0.06 0.73 0.18 0.00 -0.49 0.00 0.00 175.26 175.61 1z1r s ALA 22 N -0.89 -0.29 -0.16 5.21 0.00 -0.19 -4.51 121.76 120.93 1z1r s ALA 22 Ca 0.14 -0.38 -0.14 0.00 0.00 0.00 0.00 51.96 51.58 1z1r s ALA 22 Cb -0.12 0.31 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 1z1r s ALA 22 CO 0.03 -0.38 0.30 -1.17 0.00 0.00 0.00 175.76 174.54 1z1r s LEU 23 N -2.24 4.25 -0.37 0.00 2.96 0.93 -0.83 118.68 123.38 1z1r s LEU 23 Ca -0.03 0.53 -0.29 0.00 -0.22 0.00 0.00 54.13 54.12 1z1r s LEU 23 Cb 0.00 -2.39 0.01 0.00 0.50 0.00 0.00 46.19 44.31 1z1r s LEU 23 CO -0.05 0.10 1.32 -0.76 -1.32 0.00 0.00 176.35 175.63 1z1r s LEU 24 N 0.45 3.74 -0.48 -0.68 1.43 -0.30 -0.57 118.68 122.26 1z1r s LEU 24 Ca 0.17 0.96 0.02 0.00 -1.03 0.00 0.00 54.13 54.25 1z1r s LEU 24 Cb -0.13 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.67 1z1r s LEU 24 CO 0.04 -1.23 0.24 -0.62 0.23 0.00 0.00 176.35 175.01 1z1r s ASP 25 N 3.15 4.73 0.33 2.29 -1.08 -0.43 -4.81 116.67 120.85 1z1r s ASP 25 Ca 0.57 -2.65 0.26 0.00 -0.52 0.00 0.00 52.55 50.21 1z1r s ASP 25 Cb -0.14 -1.70 1.10 0.00 -1.46 0.00 0.00 42.92 40.72 1z1r s ASP 25 CO 0.28 -0.33 1.78 0.71 0.52 0.00 0.00 175.17 178.12 1z1r h THR 26 N 5.84 0.00 -0.25 1.71 1.35 -1.93 -2.12 112.91 117.51 1z1r h THR 26 Ca -0.06 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1z1r h THR 26 Cb 0.95 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1z1r h THR 26 CO 0.65 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.53 1z1r n GLY 27 N -0.09 0.41 3.41 5.82 0.00 -1.26 -4.82 105.19 108.66 1z1r n GLY 27 Ca 0.01 -0.39 -0.33 0.00 0.00 0.00 0.00 46.02 45.31 1z1r n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1z1r s ALA 28 N -1.67 2.79 0.22 4.61 0.00 -0.80 -5.00 121.76 121.91 1z1r s ALA 28 Ca 0.28 -0.91 0.00 0.00 0.00 0.00 0.00 51.96 51.33 1z1r s ALA 28 Cb 0.15 -1.41 0.20 0.00 0.00 0.00 0.00 23.12 22.06 1z1r s ALA 28 CO 0.21 0.13 1.55 -0.44 0.00 0.00 0.00 175.76 177.21 1z1r h ASP 29 N 6.92 0.47 -1.51 0.00 3.32 -1.88 -0.41 116.42 123.32 1z1r h ASP 29 Ca -0.30 -0.24 -0.59 0.00 0.02 0.00 0.00 57.03 55.91 1z1r h ASP 29 Cb 1.20 -0.13 -0.10 0.00 0.22 0.00 0.00 39.33 40.51 1z1r h ASP 29 CO 0.59 0.91 -0.52 -1.81 -1.72 0.00 0.00 179.24 176.69 1z1r s ASP 30 N -6.90 4.26 -0.26 6.45 1.01 -1.26 -3.06 116.67 116.91 1z1r s ASP 30 Ca -0.06 -1.20 -0.08 0.00 0.71 0.00 0.00 52.55 51.92 1z1r s ASP 30 Cb 0.12 -0.37 -0.03 0.00 1.01 0.00 0.00 42.92 43.64 1z1r s ASP 30 CO 0.82 -0.55 0.10 -0.89 0.21 0.00 0.00 175.17 174.86 1z1r s THR 31 N -2.65 4.57 -0.12 -1.27 2.01 -1.26 -2.64 115.64 114.28 1z1r s THR 31 Ca 0.37 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 62.31 1z1r s THR 31 Cb 0.05 -3.15 0.01 0.00 0.01 0.00 0.00 72.50 69.43 1z1r s THR 31 CO 0.20 0.32 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.58 1z1r s VAL 32 N 1.64 1.71 0.08 3.82 1.01 -0.86 -0.93 120.40 126.87 1z1r s VAL 32 Ca 0.06 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.35 1z1r s VAL 32 Cb -0.15 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1z1r s VAL 32 CO 0.05 0.48 -0.18 -0.63 0.00 0.00 0.00 175.10 174.82 1z1r s ILE 33 N 0.87 2.80 0.63 2.22 -1.09 0.18 -1.06 121.20 125.74 1z1r s ILE 33 Ca -0.08 -1.35 -0.19 0.00 -2.23 0.00 0.00 60.65 56.80 1z1r s ILE 33 Cb -0.15 -2.23 -0.02 0.00 -1.58 0.00 0.00 42.46 38.48 1z1r s ILE 33 CO -0.01 0.22 1.29 -1.83 -1.23 0.00 0.00 174.94 173.39 1z1r s GLU 34 N -1.78 2.66 0.06 2.79 -1.05 -1.26 -1.09 118.70 119.04 1z1r s GLU 34 Ca 0.16 2.06 -0.37 0.00 -0.15 0.00 0.00 54.97 56.68 1z1r s GLU 34 Cb -0.11 -1.90 -0.16 0.00 -0.44 0.00 0.00 34.13 31.52 1z1r s GLU 34 CO 0.08 -1.51 1.39 -1.91 0.95 0.00 0.00 175.26 174.26 1z1r n GLU 35 N -1.77 1.23 -3.81 -4.83 0.00 -1.17 -4.58 120.64 105.70 1z1r n GLU 35 Ca 0.15 0.44 -0.06 0.00 0.00 0.00 0.00 57.16 57.70 1z1r n GLU 35 Cb 0.48 -2.10 -0.02 0.00 0.00 0.00 0.00 31.44 29.80 1z1r n GLU 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1z1r s MET 36 N 0.78 1.54 -0.22 5.31 0.23 -1.26 -5.00 119.30 120.68 1z1r s MET 36 Ca 0.85 -0.85 -0.18 0.00 -1.03 0.00 0.00 55.69 54.49 1z1r s MET 36 Cb -0.94 0.53 -0.03 0.00 -1.53 0.00 0.00 34.83 32.85 1z1r s MET 36 CO 0.48 -0.71 0.49 -0.80 -2.03 0.00 0.00 175.02 172.45 1z1r s ASN 37 N -2.92 6.48 0.00 -1.18 0.01 -1.26 -5.05 114.94 111.02 1z1r s ASN 37 Ca 0.11 0.58 0.07 0.00 -0.71 0.00 0.00 52.86 52.91 1z1r s ASN 37 Cb -0.04 -2.27 -0.02 0.00 0.41 0.00 0.00 41.25 39.33 1z1r s ASN 37 CO 0.05 -0.19 -0.22 -0.76 -1.51 0.00 0.00 177.10 174.47 1z1r s LEU 38 N 1.78 2.08 0.64 0.60 1.43 -1.26 -4.99 118.68 118.96 1z1r s LEU 38 Ca 0.22 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 1z1r s LEU 38 Cb -0.15 -1.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.96 1z1r s LEU 38 CO 0.09 0.24 1.08 -2.16 0.23 0.00 0.00 176.35 175.83 1z1r s PRO 39 N -0.70 3.04 0.00 1.29 0.04 -1.26 -4.92 135.00 132.49 1z1r s PRO 39 Ca 0.08 1.25 0.00 0.00 0.04 0.00 0.00 61.00 62.37 1z1r s PRO 39 Cb -0.08 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1z1r s PRO 39 CO -0.00 -1.04 0.00 0.41 0.04 0.00 0.00 177.00 176.41 1z1r n GLY 40 N -0.91 1.63 3.84 0.56 0.00 -1.26 -5.02 105.19 104.04 1z1r n GLY 40 Ca 0.09 -2.04 -0.32 0.00 0.00 0.00 0.00 46.02 43.76 1z1r n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1z1r s LYS 41 N -2.00 3.96 0.05 1.61 3.01 -1.26 -5.08 119.74 120.03 1z1r s LYS 41 Ca 0.00 0.90 0.00 0.00 -1.01 0.00 0.00 55.97 55.86 1z1r s LYS 41 Cb 0.00 -2.19 -0.03 0.00 -1.01 0.00 0.00 37.83 34.60 1z1r s LYS 41 CO 0.00 -0.20 -0.05 1.67 0.51 0.00 0.00 175.35 177.29 1z1r s TRP 42 N -2.52 0.58 0.02 3.18 1.48 -1.26 -4.60 118.94 115.82 1z1r s TRP 42 Ca 0.58 -0.81 0.09 0.00 -1.06 0.00 0.00 56.10 54.90 1z1r s TRP 42 Cb -0.10 -0.38 -0.02 0.00 -1.16 0.00 0.00 33.47 31.81 1z1r s TRP 42 CO 0.29 -0.23 -0.26 0.15 -4.06 0.00 0.00 176.95 172.84 1z1r s LYS 43 N -2.92 1.90 0.33 3.25 -0.14 -0.57 -4.85 119.74 116.74 1z1r s LYS 43 Ca -0.00 -1.02 -0.28 0.00 -1.36 0.00 0.00 55.97 53.31 1z1r s LYS 43 Cb 0.00 -1.97 -0.10 0.00 -1.68 0.00 0.00 37.83 34.08 1z1r s LYS 43 CO -0.05 0.52 1.27 -2.14 -0.76 0.00 0.00 175.35 174.20 1z1r s PRO 44 N -0.96 4.34 0.13 -1.68 0.02 -1.26 -0.17 135.00 135.41 1z1r s PRO 44 Ca 0.11 2.14 -0.11 0.00 0.02 0.00 0.00 61.00 63.15 1z1r s PRO 44 Cb -0.10 -3.04 0.01 0.00 0.02 0.00 0.00 34.50 31.39 1z1r s PRO 44 CO 0.01 -0.17 0.30 0.15 -0.33 0.00 0.00 177.00 176.95 1z1r s LYS 45 N -1.81 1.03 -0.07 5.54 1.02 -0.58 -4.86 119.74 120.01 1z1r s LYS 45 Ca 0.49 -0.95 0.03 0.00 0.02 0.00 0.00 55.97 55.57 1z1r s LYS 45 Cb -0.38 0.40 0.01 0.00 -0.52 0.00 0.00 37.83 37.34 1z1r s LYS 45 CO 0.50 -0.37 -0.15 -1.64 -0.92 0.00 0.00 175.35 172.77 1z1r s MET 46 N -3.88 1.91 0.17 1.68 -1.94 -1.26 -0.06 119.30 115.92 1z1r s MET 46 Ca 0.08 -0.51 0.08 0.00 -1.71 0.00 0.00 55.69 53.63 1z1r s MET 46 Cb 0.03 -1.55 -0.04 0.00 2.01 0.00 0.00 34.83 35.28 1z1r s MET 46 CO -0.08 0.08 -0.16 0.96 -0.01 0.00 0.00 175.02 175.82 1z1r s ILE 47 N 0.52 1.66 0.21 2.53 -4.36 -0.83 -4.96 121.20 115.97 1z1r s ILE 47 Ca -0.14 -1.97 0.09 0.00 -0.26 0.00 0.00 60.65 58.37 1z1r s ILE 47 Cb -0.15 -1.83 -0.04 0.00 1.25 0.00 0.00 42.46 41.68 1z1r s ILE 47 CO 0.04 -0.44 -0.04 -0.83 0.24 0.00 0.00 174.94 173.92 1z1r s GLY 48 N -2.84 1.70 0.00 6.27 0.00 -1.26 -1.17 107.32 110.02 1z1r s GLY 48 Ca 0.16 -1.51 0.00 0.00 0.00 0.00 0.00 44.72 43.37 1z1r s GLY 48 CO 0.06 -1.55 0.00 0.61 0.00 0.00 0.00 173.10 172.22 1z1r n GLY 49 N -0.35 5.34 0.30 0.20 0.00 0.50 -4.97 105.19 106.20 1z1r n GLY 49 Ca -0.09 -1.42 -0.02 0.00 0.00 0.00 0.00 46.02 44.49 1z1r n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1z1r h ILE 50 N 0.00 1.22 -0.03 -0.61 -0.00 -2.02 -3.17 117.51 112.90 1z1r h ILE 50 Ca 0.00 -0.78 0.00 0.00 -0.00 0.00 0.00 64.86 64.08 1z1r h ILE 50 Cb 0.00 0.71 0.00 0.00 -0.00 0.00 0.00 36.82 37.53 1z1r h ILE 50 CO 0.00 0.29 -0.07 0.61 -0.00 0.00 0.00 178.15 178.98 1z1r n GLY 51 N -0.89 0.82 0.00 8.18 0.00 -1.26 -5.08 105.19 106.96 1z1r n GLY 51 Ca 0.04 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1z1r n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z1r n GLY 52 N 1.34 0.98 3.77 -0.02 0.00 -1.20 -5.11 105.19 104.95 1z1r n GLY 52 Ca 0.13 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.95 1z1r n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1z1r s PHE 53 N -2.74 3.20 0.23 1.61 0.40 -1.26 -0.37 117.98 119.05 1z1r s PHE 53 Ca 0.00 0.11 0.04 0.00 -0.60 0.00 0.00 56.93 56.48 1z1r s PHE 53 Cb 0.00 -1.66 -0.05 0.00 0.51 0.00 0.00 43.02 41.82 1z1r s PHE 53 CO 0.00 0.52 -0.02 0.96 0.70 0.00 0.00 175.22 177.38 1z1r s ILE 54 N -1.30 1.12 -0.16 0.64 -4.36 -0.31 -4.97 121.20 111.85 1z1r s ILE 54 Ca 0.26 -2.05 -0.09 0.00 -0.26 0.00 0.00 60.65 58.51 1z1r s ILE 54 Cb -0.12 -2.31 -0.05 0.00 1.25 0.00 0.00 42.46 41.23 1z1r s ILE 54 CO 0.18 -0.36 0.15 -0.54 0.24 0.00 0.00 174.94 174.62 1z1r s LYS 55 N -3.84 3.93 0.27 0.37 1.02 -1.26 -1.96 119.74 118.27 1z1r s LYS 55 Ca 0.28 -0.15 0.03 0.00 0.02 0.00 0.00 55.97 56.14 1z1r s LYS 55 Cb 0.05 -3.34 -0.06 0.00 -0.52 0.00 0.00 37.83 33.97 1z1r s LYS 55 CO 0.08 0.47 0.05 0.14 -0.92 0.00 0.00 175.35 175.17 1z1r s VAL 56 N -0.15 0.94 -0.17 3.17 -7.23 0.92 -4.57 120.40 113.31 1z1r s VAL 56 Ca 0.11 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.21 1z1r s VAL 56 Cb -0.12 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.20 1z1r s VAL 56 CO 0.01 -0.12 0.04 -0.13 -0.31 0.00 0.00 175.10 174.59 1z1r s ARG 57 N -3.93 3.90 -0.23 4.82 0.52 0.54 -1.52 118.95 123.05 1z1r s ARG 57 Ca 0.34 -0.39 -0.11 0.00 -0.52 0.00 0.00 55.73 55.05 1z1r s ARG 57 Cb 0.07 -3.14 -0.05 0.00 0.52 0.00 0.00 34.95 32.36 1z1r s ARG 57 CO 0.13 0.27 0.17 -1.14 0.02 0.00 0.00 175.30 174.74 1z1r s GLN 58 N 0.36 4.08 -0.11 3.54 0.74 0.76 -0.46 119.66 128.57 1z1r s GLN 58 Ca 0.01 -0.24 0.01 0.00 0.05 0.00 0.00 55.36 55.19 1z1r s GLN 58 Cb -0.13 -3.53 -0.02 0.00 1.10 0.00 0.00 33.01 30.44 1z1r s GLN 58 CO 0.01 0.07 -0.15 0.71 -0.55 0.00 0.00 175.29 175.38 1z1r s TYR 59 N 1.02 2.75 0.20 1.67 2.02 -0.17 -1.50 117.35 123.33 1z1r s TYR 59 Ca 0.08 -0.59 0.05 0.00 -0.37 0.00 0.00 57.07 56.25 1z1r s TYR 59 Cb -0.13 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.61 1z1r s TYR 59 CO 0.04 -0.15 0.23 -0.51 -1.57 0.00 0.00 175.55 173.59 1z1r s ASP 60 N 0.11 5.87 -1.51 2.29 1.01 -1.26 -0.91 116.67 122.26 1z1r s ASP 60 Ca -0.07 -0.06 -0.08 0.00 0.71 0.00 0.00 52.55 53.06 1z1r s ASP 60 Cb -0.15 -1.62 0.06 0.00 1.01 0.00 0.00 42.92 42.22 1z1r s ASP 60 CO 0.05 0.00 0.62 0.00 0.21 0.00 0.00 175.17 176.05 1z1r n GLN 61 N -0.86 -3.60 -3.44 8.23 6.02 -1.20 -4.89 117.38 117.65 1z1r n GLN 61 Ca -0.08 0.43 -0.37 0.00 -0.01 0.00 0.00 57.00 56.97 1z1r n GLN 61 Cb 0.56 -4.86 -0.07 0.00 1.02 0.00 0.00 30.24 26.90 1z1r n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1z1r s ILE 62 N -3.66 5.25 0.02 5.09 -1.09 0.25 -4.65 121.20 122.42 1z1r s ILE 62 Ca 0.32 0.73 -0.30 0.00 -2.23 0.00 0.00 60.65 59.16 1z1r s ILE 62 Cb -0.17 -3.72 -0.05 0.00 -1.58 0.00 0.00 42.46 36.95 1z1r s ILE 62 CO 0.89 0.36 1.22 -2.84 -1.23 0.00 0.00 174.94 173.34 1z1r s PRO 63 N 0.55 4.39 -0.04 2.79 0.02 -1.26 -1.02 135.00 140.44 1z1r s PRO 63 Ca 0.21 1.76 0.01 0.00 0.02 0.00 0.00 61.00 63.00 1z1r s PRO 63 Cb -0.14 -3.43 0.02 0.00 0.02 0.00 0.00 34.50 30.98 1z1r s PRO 63 CO 0.07 -0.34 -0.03 0.08 -0.33 0.00 0.00 177.00 176.44 1z1r s VAL 64 N 1.52 0.41 -0.24 3.83 1.01 0.60 -4.50 120.40 123.02 1z1r s VAL 64 Ca 0.58 -0.06 -0.07 0.00 0.00 0.00 0.00 61.98 62.43 1z1r s VAL 64 Cb -0.28 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1z1r s VAL 64 CO 0.27 0.19 0.07 -0.70 0.00 0.00 0.00 175.10 174.93 1z1r s GLU 65 N 0.87 3.69 -0.29 2.72 2.12 -0.70 -1.03 118.70 126.08 1z1r s GLU 65 Ca -0.11 -0.46 0.09 0.00 0.36 0.00 0.00 54.97 54.85 1z1r s GLU 65 Cb -0.14 -3.31 0.51 0.00 0.26 0.00 0.00 34.13 31.45 1z1r s GLU 65 CO -0.00 -0.13 1.46 -0.89 -0.54 0.00 0.00 175.26 175.16 1z1r n ILE 66 N 4.76 2.55 0.00 -3.70 5.41 -1.26 -1.02 119.36 126.10 1z1r n ILE 66 Ca -0.16 -2.75 0.00 0.00 1.00 0.00 0.00 62.75 60.84 1z1r n ILE 66 Cb 0.52 -0.32 0.00 0.00 -0.71 0.00 0.00 39.64 39.13 1z1r n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1z1r n GLY 68 N -1.11 0.00 3.69 7.39 0.00 -1.26 -4.74 105.19 109.15 1z1r n GLY 68 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.00 1z1r n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1z1r s HIS 69 N 0.00 3.24 0.14 1.61 4.02 -1.26 -5.09 115.29 117.95 1z1r s HIS 69 Ca 0.00 0.18 -0.11 0.00 1.02 0.00 0.00 55.06 56.15 1z1r s HIS 69 Cb 0.00 -1.89 -0.07 0.00 -1.02 0.00 0.00 32.58 29.61 1z1r s HIS 69 CO 0.00 0.41 0.49 0.21 1.02 0.00 0.00 174.74 176.87 1z1r s LYS 70 N -0.55 3.85 0.03 1.40 2.47 -1.26 -4.29 119.74 121.38 1z1r s LYS 70 Ca 0.10 0.31 -0.10 0.00 -1.56 0.00 0.00 55.97 54.71 1z1r s LYS 70 Cb -0.12 -2.89 0.01 0.00 -1.46 0.00 0.00 37.83 33.37 1z1r s LYS 70 CO 0.02 0.47 0.21 0.00 0.16 0.00 0.00 175.35 176.21 1z1r s ALA 71 N -1.53 -0.43 -0.13 3.13 0.00 -0.20 -4.67 121.76 117.93 1z1r s ALA 71 Ca 0.38 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 52.13 1z1r s ALA 71 Cb -0.14 0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.28 1z1r s ALA 71 CO 0.20 -0.33 0.10 0.42 0.00 0.00 0.00 175.76 176.15 1z1r s ILE 72 N -2.27 -0.14 0.00 0.00 1.01 -1.26 -0.29 121.20 118.25 1z1r s ILE 72 Ca -0.07 0.07 0.00 0.00 0.00 0.00 0.00 60.65 60.65 1z1r s ILE 72 Cb -0.02 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 42.02 1z1r s ILE 72 CO -0.02 -0.09 0.00 0.61 0.00 0.00 0.00 174.94 175.44 1z1r n GLY 73 N 5.30 1.53 3.72 6.18 0.00 -0.19 -4.76 105.19 116.96 1z1r n GLY 73 Ca -0.05 -0.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 1z1r n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1z1r s THR 74 N -2.54 4.10 -0.08 2.61 2.01 -1.26 -0.59 115.64 119.89 1z1r s THR 74 Ca 0.00 1.57 0.03 0.00 0.31 0.00 0.00 61.69 63.60 1z1r s THR 74 Cb 0.00 -4.00 0.01 0.00 0.01 0.00 0.00 72.50 68.51 1z1r s THR 74 CO 0.00 0.15 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.21 1z1r s VAL 75 N 0.78 1.65 -0.18 3.82 1.01 -0.09 -4.53 120.40 122.86 1z1r s VAL 75 Ca 0.56 -0.78 -0.08 0.00 0.00 0.00 0.00 61.98 61.68 1z1r s VAL 75 Cb -0.28 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1z1r s VAL 75 CO 0.30 0.47 0.08 -0.76 0.00 0.00 0.00 175.10 175.19 1z1r s LEU 76 N 0.47 3.90 -0.16 3.92 1.43 -0.11 -1.00 118.68 127.13 1z1r s LEU 76 Ca -0.17 0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.04 1z1r s LEU 76 Cb -0.17 -1.99 -0.02 0.00 0.03 0.00 0.00 46.19 44.04 1z1r s LEU 76 CO 0.07 0.19 -0.08 -0.69 0.23 0.00 0.00 176.35 176.07 1z1r s VAL 77 N 0.29 3.46 -0.22 -1.59 1.01 0.39 0.47 120.40 124.20 1z1r s VAL 77 Ca 0.05 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1z1r s VAL 77 Cb -0.12 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.76 1z1r s VAL 77 CO -0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1z1r n GLY 78 N 3.74 -1.21 3.07 4.51 0.00 -0.25 -0.34 105.19 114.72 1z1r n GLY 78 Ca -0.18 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 1z1r n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1z1r n PRO 79 N -0.02 1.98 -3.94 1.61 -0.04 -1.26 -3.07 135.00 130.26 1z1r n PRO 79 Ca 0.00 -2.20 -0.33 0.00 -0.04 0.00 0.00 63.50 60.93 1z1r n PRO 79 Cb 0.00 -3.13 -0.05 0.00 -0.04 0.00 0.00 33.50 30.27 1z1r n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1z1r s THR 80 N 5.06 5.29 0.50 0.52 -1.32 -1.26 -5.00 115.64 119.43 1z1r s THR 80 Ca 0.55 -0.21 0.24 0.00 -1.21 0.00 0.00 61.69 61.06 1z1r s THR 80 Cb 0.12 -3.46 0.29 0.00 -1.51 0.00 0.00 72.50 67.94 1z1r s THR 80 CO 0.06 0.33 2.13 -0.65 -2.21 0.00 0.00 174.62 174.28 1z1r h PRO 81 N 3.86 0.00 -2.50 7.08 0.11 -1.99 -3.45 132.00 135.11 1z1r h PRO 81 Ca -0.49 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 1z1r h PRO 81 Cb 1.19 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.10 1z1r h PRO 81 CO 0.68 0.07 -0.04 0.54 -0.21 0.00 0.00 178.00 179.04 1z1r s VAL 82 N -4.57 0.03 0.02 3.15 0.11 -1.26 -5.12 120.40 112.77 1z1r s VAL 82 Ca -0.04 -0.23 -0.30 0.00 -2.93 0.00 0.00 61.98 58.47 1z1r s VAL 82 Cb 0.15 -0.81 -0.06 0.00 -1.53 0.00 0.00 36.38 34.13 1z1r s VAL 82 CO 0.61 -0.13 1.42 0.20 -3.33 0.00 0.00 175.10 173.86 1z1r s ASN 83 N -1.24 6.83 0.00 3.54 0.01 -1.26 -4.81 114.94 118.01 1z1r s ASN 83 Ca -0.12 2.17 0.06 0.00 -0.71 0.00 0.00 52.86 54.27 1z1r s ASN 83 Cb -0.03 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 1z1r s ASN 83 CO 0.07 -0.72 -0.20 0.27 -1.51 0.00 0.00 177.10 175.02 1z1r s ILE 84 N 2.19 1.57 -0.36 0.60 -4.36 -0.23 -0.05 121.20 120.57 1z1r s ILE 84 Ca 0.65 -0.94 -0.12 0.00 -0.26 0.00 0.00 60.65 59.98 1z1r s ILE 84 Cb -0.33 -1.32 0.01 0.00 1.25 0.00 0.00 42.46 42.07 1z1r s ILE 84 CO 0.28 0.37 0.22 -0.63 0.24 0.00 0.00 174.94 175.41 1z1r s ILE 85 N -0.56 4.90 0.68 8.37 -1.09 0.26 -2.02 121.20 131.74 1z1r s ILE 85 Ca 0.07 -0.57 -0.03 0.00 -2.23 0.00 0.00 60.65 57.90 1z1r s ILE 85 Cb -0.08 -3.63 0.14 0.00 -1.58 0.00 0.00 42.46 37.31 1z1r s ILE 85 CO -0.00 -0.13 0.93 0.61 -1.23 0.00 0.00 174.94 175.12 1z1r n GLY 86 N 5.06 0.30 0.30 6.18 0.00 -1.08 -1.32 105.19 114.63 1z1r n GLY 86 Ca -0.12 -1.97 0.12 0.00 0.00 0.00 0.00 46.02 44.05 1z1r n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1z1r h ARG 87 N 0.00 0.00 -0.38 1.61 3.08 -1.14 -1.50 114.38 116.05 1z1r h ARG 87 Ca -0.31 0.00 0.03 0.00 0.07 0.00 0.00 59.98 59.77 1z1r h ARG 87 Cb 1.07 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 1z1r h ARG 87 CO 0.31 0.00 0.25 -2.95 -1.07 0.00 0.00 179.97 176.51 1z1r h ASN 88 N 0.00 0.34 0.07 7.04 -1.07 -1.80 -2.23 115.58 117.93 1z1r h ASN 88 Ca 0.08 -0.00 -0.36 0.00 0.07 0.00 0.00 56.30 56.09 1z1r h ASN 88 Cb 0.33 -0.08 -0.07 0.00 -2.07 0.00 0.00 38.32 36.43 1z1r h ASN 88 CO -0.00 0.24 -2.30 0.18 0.07 0.00 0.00 177.43 175.62 1z1r n LEU 89 N -4.48 0.26 0.07 6.14 4.77 -0.74 -4.20 117.00 118.81 1z1r n LEU 89 Ca 0.04 0.05 0.04 0.00 -0.03 0.00 0.00 56.01 56.11 1z1r n LEU 89 Cb 0.15 0.39 0.44 0.00 -2.33 0.00 0.00 43.42 42.07 1z1r n LEU 89 CO 0.35 0.51 1.08 -0.07 -1.33 0.00 0.00 177.39 177.92 1z1r h LEU 90 N 0.00 0.35 -0.82 2.23 3.38 -1.16 -1.07 115.31 118.22 1z1r h LEU 90 Ca -0.52 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.31 1z1r h LEU 90 Cb 2.20 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 42.85 1z1r h LEU 90 CO 0.03 0.31 -0.55 0.71 0.09 0.00 0.00 178.44 179.03 1z1r h THR 91 N 0.39 1.39 -0.07 0.22 1.35 -1.59 -2.87 112.91 111.72 1z1r h THR 91 Ca 0.10 -1.89 -0.07 0.00 -0.55 0.00 0.00 66.41 64.00 1z1r h THR 91 Cb 0.06 1.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.46 1z1r h THR 91 CO -0.01 0.55 -0.30 1.56 -0.25 0.00 0.00 175.52 177.07 1z1r h GLN 92 N 0.08 0.13 -0.62 4.72 4.20 -1.37 -2.27 115.11 119.98 1z1r h GLN 92 Ca -0.00 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1z1r h GLN 92 Cb 1.00 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.77 1z1r h GLN 92 CO 0.08 0.42 0.00 0.44 -0.67 0.00 0.00 178.83 179.09 1z1r n ILE 93 N -4.15 1.04 -1.75 2.54 -5.35 -1.04 -4.95 119.36 105.69 1z1r n ILE 93 Ca -0.01 -0.86 0.00 0.00 -0.27 0.00 0.00 62.75 61.60 1z1r n ILE 93 Cb 0.37 0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.56 1z1r n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1z1r n GLY 94 N 1.31 -4.60 0.00 3.28 0.00 -0.86 -5.09 105.19 99.23 1z1r n GLY 94 Ca 0.21 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1z1r n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1z1r n THR 96 N 1.08 0.00 -4.05 2.61 -2.24 -1.26 -5.02 114.28 105.40 1z1r n THR 96 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 1z1r n THR 96 Cb 0.00 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.15 1z1r n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1z1r s LEU 97 N 0.00 4.02 -0.01 3.22 1.43 -1.26 -5.10 118.68 120.99 1z1r s LEU 97 Ca 0.00 0.28 0.01 0.00 -1.03 0.00 0.00 54.13 53.40 1z1r s LEU 97 Cb 0.00 -1.97 0.00 0.00 0.03 0.00 0.00 46.19 44.25 1z1r s LEU 97 CO 0.00 0.34 -0.04 0.20 0.23 0.00 0.00 176.35 177.08 1z1r s ASN 98 N -0.64 0.52 0.00 2.29 0.01 -1.26 -5.30 114.94 110.56 1z1r s ASN 98 Ca 0.12 -0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.19 1z1r s ASN 98 Cb -0.12 -0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.45 1z1r s ASN 98 CO 0.02 0.03 0.00 2.22 -1.51 0.00 0.00 177.10 177.86