#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z3r n SER 2 N 0.00 3.39 -3.23 4.38 2.88 -1.26 -4.74 113.62 115.04 1z3r n SER 2 Ca 0.00 1.22 -0.37 0.00 -1.33 0.00 0.00 58.87 58.38 1z3r n SER 2 Cb 0.00 -1.57 -0.04 0.00 -0.75 0.00 0.00 64.21 61.85 1z3r n SER 2 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1z3r n LYS 3 N 0.45 3.65 -0.82 -1.46 4.76 -1.26 -4.92 118.16 118.57 1z3r n LYS 3 Ca 0.03 -2.22 -0.20 0.00 -2.87 0.00 0.00 58.31 53.05 1z3r n LYS 3 Cb 0.38 -2.73 -0.09 0.00 -1.84 0.00 0.00 35.03 30.75 1z3r n LYS 3 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1z3r n GLY 4 N 3.35 -0.27 0.32 0.72 0.00 -1.26 -4.60 105.19 103.45 1z3r n GLY 4 Ca 0.75 0.48 0.20 0.00 0.00 0.00 0.00 46.02 47.45 1z3r n GLY 4 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1z3r h LEU 5 N 6.40 0.00 0.00 0.99 -0.00 -1.91 -3.14 115.31 117.65 1z3r h LEU 5 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 1z3r h LEU 5 Cb 0.69 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.35 1z3r h LEU 5 CO 0.79 0.00 -1.05 0.35 -0.00 0.00 0.00 178.44 178.52 1z3r n THR 6 N -3.39 0.00 -2.12 0.22 -2.24 -1.26 -5.00 114.28 100.49 1z3r n THR 6 Ca -0.03 -0.11 -0.34 0.00 -2.27 0.00 0.00 64.05 61.30 1z3r n THR 6 Cb 0.08 0.85 0.01 0.00 -2.10 0.00 0.00 70.33 69.18 1z3r n THR 6 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1z3r s TYR 7 N -2.89 2.77 0.76 4.78 2.02 -1.19 -5.02 117.35 118.57 1z3r s TYR 7 Ca 0.05 1.54 -0.13 0.00 -0.37 0.00 0.00 57.07 58.16 1z3r s TYR 7 Cb 0.14 -3.17 0.05 0.00 -0.40 0.00 0.00 41.96 38.59 1z3r s TYR 7 CO 0.79 -1.41 1.14 0.95 -1.57 0.00 0.00 175.55 175.46 1z3r s THR 8 N -2.10 2.72 0.15 -0.71 -4.23 -1.26 -4.27 115.64 105.94 1z3r s THR 8 Ca 0.68 0.30 -0.31 0.00 -1.18 0.00 0.00 61.69 61.18 1z3r s THR 8 Cb -0.20 -2.72 -0.09 0.00 1.34 0.00 0.00 72.50 70.82 1z3r s THR 8 CO 0.32 -0.24 1.49 -0.04 -0.54 0.00 0.00 174.62 175.61 1z3r s MET 9 N -4.32 4.26 0.60 3.99 -1.94 -1.26 -0.14 119.30 120.49 1z3r s MET 9 Ca 0.68 2.25 -0.19 0.00 -1.71 0.00 0.00 55.69 56.72 1z3r s MET 9 Cb -0.23 -3.18 -0.03 0.00 2.01 0.00 0.00 34.83 33.40 1z3r s MET 9 CO 0.49 -0.53 1.30 0.00 -0.01 0.00 0.00 175.02 176.27 1z3r n ASP 11 N -1.54 3.34 0.25 0.00 -0.08 -1.26 -4.64 116.55 112.62 1z3r n ASP 11 Ca 0.14 0.89 0.13 0.00 -1.51 0.00 0.00 54.79 54.44 1z3r n ASP 11 Cb 0.47 -1.37 0.71 0.00 2.34 0.00 0.00 41.12 43.27 1z3r n ASP 11 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1z3r h LYS 12 N 9.76 0.00 -0.25 -0.67 1.57 -1.93 -3.00 116.57 122.05 1z3r h LYS 12 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1z3r h LYS 12 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1z3r h LYS 12 CO 0.96 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.84 1z3r n ALA 13 N -1.80 2.18 0.01 3.86 0.00 -1.26 -1.11 120.51 122.37 1z3r n ALA 13 Ca -0.02 -1.06 0.00 0.00 0.00 0.00 0.00 53.44 52.36 1z3r n ALA 13 Cb 0.23 -0.35 0.00 0.00 0.00 0.00 0.00 19.45 19.34 1z3r n ALA 13 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1z3r n LYS 14 N 0.33 0.26 -2.09 0.00 4.76 -1.13 -5.07 118.16 115.21 1z3r n LYS 14 Ca 0.09 -0.82 -0.30 0.00 -2.87 0.00 0.00 58.31 54.40 1z3r n LYS 14 Cb 0.37 -1.01 0.00 0.00 -1.84 0.00 0.00 35.03 32.56 1z3r n LYS 14 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1z3r s PHE 15 N -0.32 3.60 -0.01 2.13 0.08 -1.26 -0.70 117.98 121.49 1z3r s PHE 15 Ca 0.00 1.20 -0.01 0.00 0.12 0.00 0.00 56.93 58.24 1z3r s PHE 15 Cb 0.00 -2.63 0.00 0.00 -0.57 0.00 0.00 43.02 39.82 1z3r s PHE 15 CO 0.00 -0.57 0.03 0.95 -0.10 0.00 0.00 175.22 175.54 1z3r s THR 16 N -3.03 0.01 -0.37 0.64 -4.23 0.12 -4.93 115.64 103.85 1z3r s THR 16 Ca 0.54 -0.09 -0.29 0.00 -1.18 0.00 0.00 61.69 60.67 1z3r s THR 16 Cb -0.11 -0.08 -0.00 0.00 1.34 0.00 0.00 72.50 73.65 1z3r s THR 16 CO 0.50 -0.05 1.54 0.26 -0.54 0.00 0.00 174.62 176.33 1z3r s TRP 17 N -0.14 2.21 0.07 3.99 0.23 -1.26 -1.20 118.94 122.85 1z3r s TRP 17 Ca -0.02 0.66 -0.09 0.00 -2.03 0.00 0.00 56.10 54.62 1z3r s TRP 17 Cb -0.01 -4.21 -0.28 0.00 0.03 0.00 0.00 33.47 29.00 1z3r s TRP 17 CO -0.00 -2.34 1.12 -0.22 0.96 0.00 0.00 176.95 176.48 1z3r h LYS 18 N 11.27 0.41 -2.50 4.98 3.64 -1.12 -3.43 116.57 129.83 1z3r h LYS 18 Ca -0.30 -0.64 -0.38 0.00 -1.27 0.00 0.00 60.65 58.06 1z3r h LYS 18 Cb 1.13 0.23 -0.36 0.00 -0.41 0.00 0.00 32.23 32.81 1z3r h LYS 18 CO 1.06 1.29 -0.68 0.50 -2.27 0.00 0.00 179.45 179.35 1z3r s ARG 19 N -2.78 0.23 0.62 1.90 3.52 0.24 -4.93 118.95 117.75 1z3r s ARG 19 Ca -0.06 -0.12 -0.19 0.00 -0.13 0.00 0.00 55.73 55.23 1z3r s ARG 19 Cb 0.06 -1.05 -0.02 0.00 -1.56 0.00 0.00 34.95 32.38 1z3r s ARG 19 CO 0.91 -0.88 1.30 0.00 -0.81 0.00 0.00 175.30 175.82 1z3r s ALA 20 N 2.27 2.50 -0.16 6.12 0.00 -1.26 -0.72 121.76 130.51 1z3r s ALA 20 Ca 0.08 1.23 -0.39 0.00 0.00 0.00 0.00 51.96 52.87 1z3r s ALA 20 Cb -0.15 -3.55 -0.16 0.00 0.00 0.00 0.00 23.12 19.26 1z3r s ALA 20 CO -0.25 -1.50 1.57 -2.30 0.00 0.00 0.00 175.76 173.28 1z3r n PRO 21 N -1.67 1.03 -4.06 0.00 -0.02 -1.26 -4.79 135.00 124.24 1z3r n PRO 21 Ca 0.14 0.38 -0.08 0.00 -2.02 0.00 0.00 63.50 61.92 1z3r n PRO 21 Cb 0.47 -2.03 -0.10 0.00 -0.02 0.00 0.00 33.50 31.83 1z3r n PRO 21 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1z3r s THR 22 N 2.33 0.19 0.53 3.45 -1.32 -0.29 -4.94 115.64 115.60 1z3r s THR 22 Ca 0.94 -1.56 -0.22 0.00 -1.21 0.00 0.00 61.69 59.64 1z3r s THR 22 Cb -1.07 -1.17 -0.06 0.00 -1.51 0.00 0.00 72.50 68.70 1z3r s THR 22 CO 0.60 -0.86 1.31 -0.67 -2.21 0.00 0.00 174.62 172.79 1z3r n ASP 23 N 0.52 2.48 -0.13 8.08 4.64 -1.26 -0.42 116.55 130.46 1z3r n ASP 23 Ca -0.17 0.98 0.15 0.00 -1.38 0.00 0.00 54.79 54.37 1z3r n ASP 23 Cb 0.59 -1.55 0.68 0.00 -1.04 0.00 0.00 41.12 39.81 1z3r n ASP 23 CO 0.00 0.00 0.00 -1.54 -0.82 0.00 0.00 177.20 174.84 1z3r n SER 24 N -0.80 0.47 0.00 1.67 3.41 0.28 -4.76 113.62 113.90 1z3r n SER 24 Ca 0.10 -0.75 0.00 0.00 -0.26 0.00 0.00 58.87 57.96 1z3r n SER 24 Cb 0.44 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1z3r n SER 24 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1z3r n GLY 25 N 1.21 0.79 0.23 5.00 0.00 -1.26 -4.89 105.19 106.28 1z3r n GLY 25 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 1z3r n GLY 25 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1z3r n HIS 26 N -2.41 0.00 -1.43 1.61 8.25 -1.26 -4.99 115.22 114.99 1z3r n HIS 26 Ca 0.00 -0.59 -0.15 0.00 -0.26 0.00 0.00 57.72 56.72 1z3r n HIS 26 Cb 0.00 -0.11 -0.06 0.00 1.12 0.00 0.00 29.99 30.94 1z3r n HIS 26 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1z3r n ASP 27 N -0.84 -4.93 -4.56 0.41 10.43 -1.26 -5.01 116.55 110.79 1z3r n ASP 27 Ca 0.09 0.37 -0.27 0.00 2.57 0.00 0.00 54.79 57.55 1z3r n ASP 27 Cb 0.65 -3.73 -0.10 0.00 1.84 0.00 0.00 41.12 39.78 1z3r n ASP 27 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1z3r s THR 28 N -2.51 3.15 -0.31 -3.53 -4.23 -1.26 -4.75 115.64 102.20 1z3r s THR 28 Ca 0.00 -1.59 -0.04 0.00 -1.18 0.00 0.00 61.69 58.87 1z3r s THR 28 Cb 0.00 -2.54 0.04 0.00 1.34 0.00 0.00 72.50 71.34 1z3r s THR 28 CO 0.00 -0.05 0.05 -0.69 -0.54 0.00 0.00 174.62 173.39 1z3r s VAL 29 N -1.57 3.44 0.10 2.29 1.01 0.14 -0.55 120.40 125.27 1z3r s VAL 29 Ca 0.23 -1.18 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 1z3r s VAL 29 Cb -0.09 -2.93 -0.05 0.00 0.00 0.00 0.00 36.38 33.30 1z3r s VAL 29 CO 0.14 -0.10 0.35 0.68 0.00 0.00 0.00 175.10 176.17 1z3r s VAL 30 N 1.35 5.19 0.18 2.92 -7.23 0.44 -0.99 120.40 122.26 1z3r s VAL 30 Ca -0.03 0.08 -0.14 0.00 -1.81 0.00 0.00 61.98 60.09 1z3r s VAL 30 Cb -0.19 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.14 1z3r s VAL 30 CO 0.01 0.14 0.41 0.00 -0.31 0.00 0.00 175.10 175.35 1z3r s MET 31 N -2.39 1.27 -0.08 4.82 0.23 -0.78 -1.14 119.30 121.22 1z3r s MET 31 Ca 0.37 -0.99 -0.16 0.00 -1.03 0.00 0.00 55.69 53.88 1z3r s MET 31 Cb -0.13 0.46 0.03 0.00 -1.53 0.00 0.00 34.83 33.66 1z3r s MET 31 CO 0.22 -0.51 0.39 -2.00 -2.03 0.00 0.00 175.02 171.09 1z3r s GLU 32 N -3.91 0.60 0.07 3.16 2.12 0.10 -1.84 118.70 119.01 1z3r s GLU 32 Ca 0.12 0.22 -0.01 0.00 0.36 0.00 0.00 54.97 55.66 1z3r s GLU 32 Cb 0.01 0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.64 1z3r s GLU 32 CO -0.02 -0.13 -0.01 0.14 -0.54 0.00 0.00 175.26 174.69 1z3r s VAL 33 N -0.55 0.24 -0.06 3.70 -7.23 0.17 -0.57 120.40 116.09 1z3r s VAL 33 Ca -0.07 -1.84 0.03 0.00 -1.81 0.00 0.00 61.98 58.29 1z3r s VAL 33 Cb -0.04 -1.65 0.01 0.00 0.56 0.00 0.00 36.38 35.25 1z3r s VAL 33 CO 0.03 -0.87 -0.15 0.00 -0.31 0.00 0.00 175.10 173.80 1z3r s ALA 34 N -3.92 1.46 -0.16 1.32 0.00 -0.34 -4.66 121.76 115.46 1z3r s ALA 34 Ca 0.11 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.49 1z3r s ALA 34 Cb 0.08 -0.57 0.03 0.00 0.00 0.00 0.00 23.12 22.66 1z3r s ALA 34 CO -0.07 0.20 -0.12 0.12 0.00 0.00 0.00 175.76 175.89 1z3r s PHE 35 N 0.38 2.17 -1.72 0.00 5.36 -1.26 -0.70 117.98 122.20 1z3r s PHE 35 Ca -0.11 -1.30 0.30 0.00 -0.96 0.00 0.00 56.93 54.86 1z3r s PHE 35 Cb -0.14 -1.56 1.42 0.00 -0.34 0.00 0.00 43.02 42.40 1z3r s PHE 35 CO 0.04 -0.68 1.97 0.43 -1.46 0.00 0.00 175.22 175.52 1z3r n SER 36 N 4.76 0.33 -0.86 6.13 7.64 0.12 -4.85 113.62 126.90 1z3r n SER 36 Ca -0.15 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.10 1z3r n SER 36 Cb 0.49 -0.10 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 1z3r n SER 36 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1z3r n GLY 37 N 1.22 1.60 3.33 0.23 0.00 -1.26 -5.05 105.19 105.26 1z3r n GLY 37 Ca 0.17 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 44.08 1z3r n GLY 37 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1z3r n THR 38 N 0.00 0.00 -4.02 2.61 -2.24 -1.26 -5.09 114.28 104.28 1z3r n THR 38 Ca 0.00 -0.25 -0.16 0.00 -2.27 0.00 0.00 64.05 61.37 1z3r n THR 38 Cb 0.00 -0.49 -0.15 0.00 -2.10 0.00 0.00 70.33 67.59 1z3r n THR 38 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1z3r s LYS 39 N -3.30 0.32 0.85 -0.78 -0.14 -1.26 -4.56 119.74 110.86 1z3r s LYS 39 Ca 0.53 -0.05 -0.12 0.00 -1.36 0.00 0.00 55.97 54.97 1z3r s LYS 39 Cb -0.20 -0.37 0.10 0.00 -1.68 0.00 0.00 37.83 35.68 1z3r s LYS 39 CO 0.70 -0.01 1.12 -1.25 -0.76 0.00 0.00 175.35 175.16 1z3r s PRO 40 N 0.35 1.68 0.19 -1.68 0.04 -1.26 -4.88 135.00 129.43 1z3r s PRO 40 Ca -0.03 0.41 -0.23 0.00 0.04 0.00 0.00 61.00 61.19 1z3r s PRO 40 Cb -0.06 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.64 1z3r s PRO 40 CO -0.01 -1.85 0.63 0.00 0.04 0.00 0.00 177.00 175.81 1z3r s ARG 42 N -3.78 4.44 -0.09 0.00 3.52 0.81 -0.61 118.95 123.24 1z3r s ARG 42 Ca 0.03 0.98 -0.30 0.00 -0.13 0.00 0.00 55.73 56.32 1z3r s ARG 42 Cb -0.02 -3.46 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 1z3r s ARG 42 CO -0.08 0.01 1.46 0.42 -0.81 0.00 0.00 175.30 176.30 1z3r s ILE 43 N 0.96 3.86 -0.85 4.11 1.01 0.20 -0.31 121.20 130.19 1z3r s ILE 43 Ca 0.40 1.09 -0.18 0.00 0.00 0.00 0.00 60.65 61.95 1z3r s ILE 43 Cb -0.18 -3.70 -0.12 0.00 0.01 0.00 0.00 42.46 38.47 1z3r s ILE 43 CO 0.19 -0.08 1.99 -0.81 0.00 0.00 0.00 174.94 176.23 1z3r n PRO 44 N 6.64 1.72 -2.72 2.79 -0.04 -1.26 -4.77 135.00 137.35 1z3r n PRO 44 Ca 0.15 -1.81 -0.33 0.00 -0.04 0.00 0.00 63.50 61.47 1z3r n PRO 44 Cb 0.44 -2.84 -0.06 0.00 -0.04 0.00 0.00 33.50 30.99 1z3r n PRO 44 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1z3r s VAL 45 N 4.54 4.45 0.06 0.52 0.11 -1.26 -0.92 120.40 127.91 1z3r s VAL 45 Ca 0.53 1.37 -0.27 0.00 -2.93 0.00 0.00 61.98 60.68 1z3r s VAL 45 Cb 0.14 -3.64 0.09 0.00 -1.53 0.00 0.00 36.38 31.44 1z3r s VAL 45 CO 0.07 -0.42 1.00 0.00 -3.33 0.00 0.00 175.10 172.42 1z3r s ARG 46 N -3.43 0.92 -0.05 1.54 1.70 -1.05 -4.99 118.95 113.59 1z3r s ARG 46 Ca 0.61 -0.46 0.03 0.00 -0.47 0.00 0.00 55.73 55.43 1z3r s ARG 46 Cb -0.09 0.34 0.01 0.00 -0.57 0.00 0.00 34.95 34.64 1z3r s ARG 46 CO 0.19 -0.42 -0.12 0.00 -1.08 0.00 0.00 175.30 173.87 1z3r s ALA 47 N -3.06 1.17 -0.18 7.88 0.00 -1.26 -0.38 121.76 125.93 1z3r s ALA 47 Ca 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.65 1z3r s ALA 47 Cb -0.00 -0.48 0.04 0.00 0.00 0.00 0.00 23.12 22.68 1z3r s ALA 47 CO -0.02 0.14 -0.07 0.14 0.00 0.00 0.00 175.76 175.95 1z3r s VAL 48 N 0.45 1.32 0.63 0.00 -7.23 0.51 0.02 120.40 116.10 1z3r s VAL 48 Ca -0.09 -0.77 -0.18 0.00 -1.81 0.00 0.00 61.98 59.13 1z3r s VAL 48 Cb -0.13 -1.45 -0.02 0.00 0.56 0.00 0.00 36.38 35.34 1z3r s VAL 48 CO 0.02 0.15 1.22 0.00 -0.31 0.00 0.00 175.10 176.19 1z3r s ALA 49 N 1.54 2.43 -0.80 1.32 0.00 -1.26 -0.40 121.76 124.60 1z3r s ALA 49 Ca 0.00 1.02 -0.24 0.00 0.00 0.00 0.00 51.96 52.74 1z3r s ALA 49 Cb -0.16 -3.47 -0.18 0.00 0.00 0.00 0.00 23.12 19.31 1z3r s ALA 49 CO -0.08 -1.39 2.43 1.58 0.00 0.00 0.00 175.76 178.30 1z3r n HIS 50 N -1.89 0.85 0.00 0.00 -0.00 -0.03 -1.43 115.22 112.72 1z3r n HIS 50 Ca 0.14 0.12 0.00 0.00 0.46 0.00 0.00 57.72 58.44 1z3r n HIS 50 Cb 0.49 -2.12 0.00 0.00 -0.12 0.00 0.00 29.99 28.24 1z3r n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1z3r n GLY 51 N 6.23 1.42 2.46 1.57 0.00 -1.26 -5.06 105.19 110.55 1z3r n GLY 51 Ca 0.53 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.27 1z3r n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1z3r s ALA 52 N -1.38 1.45 -0.91 4.61 0.00 -0.52 -4.99 121.76 120.02 1z3r s ALA 52 Ca 0.00 -2.37 0.14 0.00 0.00 0.00 0.00 51.96 49.72 1z3r s ALA 52 Cb 0.00 -1.65 0.59 0.00 0.00 0.00 0.00 23.12 22.06 1z3r s ALA 52 CO 0.00 -2.02 1.43 -0.35 0.00 0.00 0.00 175.76 174.82 1z3r n PRO 53 N 3.17 0.03 0.15 0.00 -0.04 -1.26 -3.03 135.00 134.02 1z3r n PRO 53 Ca 0.23 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 1z3r n PRO 53 Cb 0.43 -1.56 0.33 0.00 -0.04 0.00 0.00 33.50 32.66 1z3r n PRO 53 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1z3r h ASP 54 N 0.00 0.00 -3.49 3.54 5.19 -1.95 -3.46 116.42 116.25 1z3r h ASP 54 Ca 0.00 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.77 1z3r h ASP 54 Cb 0.22 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 39.36 1z3r h ASP 54 CO 0.00 0.00 -0.82 -0.69 -3.12 0.00 0.00 179.24 174.61 1z3r s VAL 55 N -3.15 1.90 0.08 -1.35 1.01 -1.17 -5.10 120.40 112.62 1z3r s VAL 55 Ca 0.09 -1.20 -0.31 0.00 0.00 0.00 0.00 61.98 60.56 1z3r s VAL 55 Cb 0.10 -1.93 -0.08 0.00 0.00 0.00 0.00 36.38 34.47 1z3r s VAL 55 CO 0.62 0.18 1.45 -0.62 0.00 0.00 0.00 175.10 176.72 1z3r s ASP 56 N 1.28 6.78 0.00 3.32 2.15 -1.26 -4.26 116.67 124.68 1z3r s ASP 56 Ca -0.02 2.32 0.14 0.00 0.43 0.00 0.00 52.55 55.41 1z3r s ASP 56 Cb -0.17 -2.58 0.08 0.00 -0.30 0.00 0.00 42.92 39.96 1z3r s ASP 56 CO -0.08 -0.72 0.90 1.33 -0.17 0.00 0.00 175.17 176.43 1z3r n VAL 57 N 4.25 0.00 -2.22 1.11 0.24 0.10 -4.94 118.33 116.87 1z3r n VAL 57 Ca 0.13 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.34 61.54 1z3r n VAL 57 Cb 0.42 1.26 -0.03 0.00 -1.47 0.00 0.00 33.84 34.02 1z3r n VAL 57 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1z3r s ALA 58 N -1.30 3.57 -0.50 2.33 0.00 -1.26 -4.57 121.76 120.04 1z3r s ALA 58 Ca 0.15 0.91 -0.08 0.00 0.00 0.00 0.00 51.96 52.94 1z3r s ALA 58 Cb 0.12 -3.58 0.13 0.00 0.00 0.00 0.00 23.12 19.78 1z3r s ALA 58 CO 0.22 -0.85 0.37 -1.64 0.00 0.00 0.00 175.76 173.86 1z3r s MET 59 N 2.16 2.52 0.22 0.00 -1.94 0.29 -4.93 119.30 117.62 1z3r s MET 59 Ca 0.64 -1.89 -0.31 0.00 -1.71 0.00 0.00 55.69 52.42 1z3r s MET 59 Cb -0.32 -3.91 -0.11 0.00 2.01 0.00 0.00 34.83 32.50 1z3r s MET 59 CO 0.27 -1.19 1.57 -0.51 -0.01 0.00 0.00 175.02 175.15 1z3r s LEU 60 N 1.13 4.37 -0.26 -0.03 1.43 -1.26 -0.16 118.68 123.90 1z3r s LEU 60 Ca 0.08 2.75 -0.02 0.00 -1.03 0.00 0.00 54.13 55.91 1z3r s LEU 60 Cb -0.24 -3.61 -0.16 0.00 0.03 0.00 0.00 46.19 42.20 1z3r s LEU 60 CO -0.02 -0.84 -0.24 -0.38 0.23 0.00 0.00 176.35 175.10 1z3r n ILE 61 N 3.16 1.51 -2.38 -0.59 2.08 0.38 -4.88 119.36 118.64 1z3r n ILE 61 Ca 0.11 -0.53 -0.28 0.00 0.56 0.00 0.00 62.75 62.61 1z3r n ILE 61 Cb 0.38 -1.53 0.01 0.00 -0.75 0.00 0.00 39.64 37.75 1z3r n ILE 61 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1z3r s THR 62 N -2.52 4.68 1.12 1.39 -1.32 -0.80 -5.01 115.64 113.19 1z3r s THR 62 Ca -0.36 0.37 -0.13 0.00 -1.21 0.00 0.00 61.69 60.37 1z3r s THR 62 Cb 0.10 -3.81 0.25 0.00 -1.51 0.00 0.00 72.50 67.53 1z3r s THR 62 CO 0.58 -0.88 0.94 -2.65 -2.21 0.00 0.00 174.62 170.39 1z3r n PRO 63 N -2.45 -2.01 -1.07 7.08 -0.02 -1.26 -4.75 135.00 130.52 1z3r n PRO 63 Ca 0.03 -0.55 -0.32 0.00 -2.02 0.00 0.00 63.50 60.64 1z3r n PRO 63 Cb 0.55 -2.16 -0.11 0.00 -0.02 0.00 0.00 33.50 31.77 1z3r n PRO 63 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1z3r n ASN 64 N -4.48 0.25 -4.77 2.55 5.15 -1.26 -4.84 115.26 107.86 1z3r n ASN 64 Ca 0.04 0.18 -0.38 0.00 -0.60 0.00 0.00 54.58 53.82 1z3r n ASN 64 Cb 0.54 -0.67 -0.04 0.00 -0.53 0.00 0.00 39.78 39.09 1z3r n ASN 64 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1z3r s PRO 65 N 6.29 4.31 0.14 1.20 0.04 -1.26 -4.49 135.00 141.22 1z3r s PRO 65 Ca 0.98 1.70 0.02 0.00 0.04 0.00 0.00 61.00 63.74 1z3r s PRO 65 Cb -0.94 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.74 1z3r s PRO 65 CO 0.37 -0.06 -0.03 0.95 0.04 0.00 0.00 177.00 178.27 1z3r s THR 66 N -1.41 0.69 -0.21 1.26 -4.23 -1.26 -0.63 115.64 109.85 1z3r s THR 66 Ca 0.53 -1.96 -0.00 0.00 -1.18 0.00 0.00 61.69 59.07 1z3r s THR 66 Cb -0.28 -1.91 0.06 0.00 1.34 0.00 0.00 72.50 71.71 1z3r s THR 66 CO 0.35 -0.66 -0.03 -0.32 -0.54 0.00 0.00 174.62 173.42 1z3r s MET 67 N -3.87 1.32 0.41 3.99 1.75 0.22 -0.33 119.30 122.79 1z3r s MET 67 Ca 0.18 -0.75 0.07 0.00 -1.25 0.00 0.00 55.69 53.94 1z3r s MET 67 Cb 0.06 -2.36 -0.06 0.00 2.84 0.00 0.00 34.83 35.31 1z3r s MET 67 CO -0.00 -0.58 0.15 -1.21 -0.65 0.00 0.00 175.02 172.72 1z3r s GLU 68 N 1.57 2.17 0.00 4.11 8.01 -0.46 -1.67 118.70 132.42 1z3r s GLU 68 Ca -0.03 -1.90 0.30 0.00 0.01 0.00 0.00 54.97 53.34 1z3r s GLU 68 Cb -0.18 -1.91 1.38 0.00 -4.31 0.00 0.00 34.13 29.12 1z3r s GLU 68 CO -0.07 -0.10 1.94 0.27 0.01 0.00 0.00 175.26 177.31 1z3r n ASN 69 N -1.18 0.51 -0.57 -0.19 6.94 -1.26 -4.13 115.26 115.38 1z3r n ASN 69 Ca -0.02 -0.82 0.04 0.00 -0.02 0.00 0.00 54.58 53.76 1z3r n ASN 69 Cb 0.65 -0.05 0.06 0.00 -2.36 0.00 0.00 39.78 38.08 1z3r n ASN 69 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 1z3r n ASN 70 N -0.78 0.98 0.00 0.53 0.23 -1.26 -5.08 115.26 109.88 1z3r n ASN 70 Ca 0.18 -2.49 0.00 0.00 -0.53 0.00 0.00 54.58 51.74 1z3r n ASN 70 Cb 0.25 -0.31 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 1z3r n ASN 70 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1z3r n GLY 71 N -0.41 0.15 0.24 4.83 0.00 -1.26 -0.23 105.19 108.51 1z3r n GLY 71 Ca 0.07 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1z3r n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z3r n GLY 72 N 0.00 -3.25 1.23 -0.02 0.00 -1.26 -1.36 105.19 100.53 1z3r n GLY 72 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1z3r n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1z3r n GLY 73 N -0.05 0.71 3.46 -0.02 0.00 0.55 -4.85 105.19 104.99 1z3r n GLY 73 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 1z3r n GLY 73 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1z3r s PHE 74 N -2.81 2.48 -0.09 1.61 5.36 -1.26 -0.66 117.98 122.62 1z3r s PHE 74 Ca 0.00 -0.29 -0.13 0.00 -0.96 0.00 0.00 56.93 55.55 1z3r s PHE 74 Cb 0.00 -1.34 0.03 0.00 -0.34 0.00 0.00 43.02 41.37 1z3r s PHE 74 CO 0.00 0.35 0.33 0.42 -1.46 0.00 0.00 175.22 174.85 1z3r s ILE 75 N -1.08 0.02 -0.03 3.12 1.01 -0.77 -4.68 121.20 118.80 1z3r s ILE 75 Ca 0.16 -0.17 -0.02 0.00 0.00 0.00 0.00 60.65 60.63 1z3r s ILE 75 Cb -0.10 -0.52 0.02 0.00 0.01 0.00 0.00 42.46 41.86 1z3r s ILE 75 CO 0.08 -0.09 0.07 -0.70 0.00 0.00 0.00 174.94 174.29 1z3r s GLU 76 N -0.36 0.04 0.17 2.79 2.12 -1.26 -1.87 118.70 120.33 1z3r s GLU 76 Ca -0.05 0.16 -0.05 0.00 0.36 0.00 0.00 54.97 55.40 1z3r s GLU 76 Cb -0.03 -0.08 -0.03 0.00 0.26 0.00 0.00 34.13 34.25 1z3r s GLU 76 CO 0.02 -0.08 0.19 0.00 -0.54 0.00 0.00 175.26 174.84 1z3r s MET 77 N 0.53 1.12 0.11 4.30 0.23 -0.16 -0.47 119.30 124.96 1z3r s MET 77 Ca -0.04 -1.38 0.08 0.00 -1.03 0.00 0.00 55.69 53.32 1z3r s MET 77 Cb -0.06 0.31 -0.04 0.00 -1.53 0.00 0.00 34.83 33.52 1z3r s MET 77 CO -0.02 -0.38 -0.19 -1.14 -2.03 0.00 0.00 175.02 171.26 1z3r s GLN 78 N -4.04 1.09 0.08 3.16 0.74 0.78 0.26 119.66 121.73 1z3r s GLN 78 Ca 0.25 -1.18 -0.05 0.00 0.05 0.00 0.00 55.36 54.43 1z3r s GLN 78 Cb 0.05 -1.26 -0.02 0.00 1.10 0.00 0.00 33.01 32.88 1z3r s GLN 78 CO 0.04 0.28 0.10 -0.51 -0.55 0.00 0.00 175.29 174.66 1z3r s LEU 79 N -2.04 1.83 0.03 3.68 1.02 -1.26 -0.55 118.68 121.39 1z3r s LEU 79 Ca 0.07 -0.84 -0.30 0.00 0.02 0.00 0.00 54.13 53.08 1z3r s LEU 79 Cb -0.09 0.67 -0.06 0.00 0.02 0.00 0.00 46.19 46.73 1z3r s LEU 79 CO 0.04 -0.69 1.47 -2.16 0.02 0.00 0.00 176.35 175.04 1z3r s PRO 80 N -3.90 4.26 0.02 1.29 0.04 -1.26 -4.88 135.00 130.57 1z3r s PRO 80 Ca 0.08 2.08 -0.37 0.00 0.04 0.00 0.00 61.00 62.83 1z3r s PRO 80 Cb 0.06 -3.56 -0.16 0.00 0.04 0.00 0.00 34.50 30.88 1z3r s PRO 80 CO -0.09 -0.61 1.46 -2.30 0.04 0.00 0.00 177.00 175.49 1z3r n PRO 81 N 5.33 1.28 -0.15 0.56 -0.02 -1.26 -4.69 135.00 136.05 1z3r n PRO 81 Ca 0.14 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1z3r n PRO 81 Cb 0.43 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.77 1z3r n PRO 81 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1z3r n GLY 82 N 2.98 0.92 3.63 -1.23 0.00 -0.99 -4.98 105.19 105.53 1z3r n GLY 82 Ca 0.20 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.98 1z3r n GLY 82 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1z3r s ASP 83 N -4.00 5.93 -0.10 1.61 2.15 -1.26 -0.06 116.67 120.94 1z3r s ASP 83 Ca 0.00 0.07 -0.01 0.00 0.43 0.00 0.00 52.55 53.04 1z3r s ASP 83 Cb 0.00 -2.06 0.03 0.00 -0.30 0.00 0.00 42.92 40.58 1z3r s ASP 83 CO 0.00 0.07 -0.03 0.20 -0.17 0.00 0.00 175.17 175.24 1z3r s ASN 84 N 1.02 1.91 -0.45 -0.34 0.01 -0.14 -0.85 114.94 116.09 1z3r s ASN 84 Ca 0.07 -0.21 -0.29 0.00 -0.71 0.00 0.00 52.86 51.71 1z3r s ASN 84 Cb -0.14 -0.63 0.02 0.00 0.41 0.00 0.00 41.25 40.92 1z3r s ASN 84 CO 0.04 -0.17 1.25 -0.63 -1.51 0.00 0.00 177.10 176.08 1z3r s ILE 85 N 1.85 4.08 -0.13 0.60 1.09 0.47 -0.43 121.20 128.72 1z3r s ILE 85 Ca 0.05 1.09 -0.15 0.00 -1.10 0.00 0.00 60.65 60.54 1z3r s ILE 85 Cb -0.13 -4.45 -0.05 0.00 -1.06 0.00 0.00 42.46 36.78 1z3r s ILE 85 CO -0.07 -0.92 0.35 -0.63 -0.10 0.00 0.00 174.94 173.58 1z3r s ILE 86 N 4.87 5.25 0.06 2.92 1.01 0.61 -0.36 121.20 135.56 1z3r s ILE 86 Ca 0.53 0.68 0.06 0.00 0.00 0.00 0.00 60.65 61.92 1z3r s ILE 86 Cb -0.10 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.65 1z3r s ILE 86 CO 0.32 0.40 -0.10 -0.31 0.00 0.00 0.00 174.94 175.26 1z3r s TYR 87 N 0.28 2.77 -0.39 3.97 2.02 0.49 -0.36 117.35 126.13 1z3r s TYR 87 Ca 0.20 -0.13 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 1z3r s TYR 87 Cb -0.14 -1.50 0.13 0.00 -0.40 0.00 0.00 41.96 40.04 1z3r s TYR 87 CO 0.07 0.38 0.20 0.08 -1.57 0.00 0.00 175.55 174.71 1z3r s VAL 88 N -1.09 1.01 0.00 0.71 1.01 0.39 -2.54 120.40 119.89 1z3r s VAL 88 Ca 0.19 -2.12 0.00 0.00 0.00 0.00 0.00 61.98 60.05 1z3r s VAL 88 Cb -0.11 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.54 1z3r s VAL 88 CO 0.10 -0.87 0.00 0.61 0.00 0.00 0.00 175.10 174.94 1z3r n GLY 89 N 3.93 1.35 0.14 4.51 0.00 -0.09 -2.87 105.19 112.15 1z3r n GLY 89 Ca 0.07 -0.84 0.10 0.00 0.00 0.00 0.00 46.02 45.35 1z3r n GLY 89 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1z3r n GLU 90 N 6.67 0.71 -1.96 1.61 -0.58 -0.27 -4.95 120.64 121.86 1z3r n GLU 90 Ca 0.00 -0.28 -0.42 0.00 -0.42 0.00 0.00 57.16 56.04 1z3r n GLU 90 Cb 0.00 -1.43 -0.03 0.00 -0.57 0.00 0.00 31.44 29.41 1z3r n GLU 90 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 1z3r s LEU 91 N -2.77 4.37 0.23 -4.62 2.96 -1.14 -5.00 118.68 112.71 1z3r s LEU 91 Ca 0.10 2.52 0.00 0.00 -0.22 0.00 0.00 54.13 56.53 1z3r s LEU 91 Cb 0.16 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.22 1z3r s LEU 91 CO 0.73 -0.84 0.11 -1.59 -1.32 0.00 0.00 176.35 173.44 1z3r s LYS 92 N 1.90 1.30 -0.26 1.98 -2.85 -1.26 -0.46 119.74 120.08 1z3r s LYS 92 Ca 0.71 -1.69 -0.11 0.00 -1.00 0.00 0.00 55.97 53.88 1z3r s LYS 92 Cb -0.41 -0.02 0.10 0.00 -2.06 0.00 0.00 37.83 35.43 1z3r s LYS 92 CO 0.31 -0.33 0.60 -1.58 0.10 0.00 0.00 175.35 174.46 1z3r s HIS 93 N -3.93 -1.09 -0.23 1.78 2.46 0.51 -4.98 115.29 109.82 1z3r s HIS 93 Ca 0.38 2.03 -0.29 0.00 0.47 0.00 0.00 55.06 57.64 1z3r s HIS 93 Cb 0.07 0.61 -0.01 0.00 -0.13 0.00 0.00 32.58 33.12 1z3r s HIS 93 CO 0.12 -0.56 1.40 -1.14 -2.47 0.00 0.00 174.74 172.10 1z3r s GLN 94 N 2.26 3.98 -0.25 2.88 0.74 -1.26 -0.28 119.66 127.73 1z3r s GLN 94 Ca -0.07 1.53 0.00 0.00 0.05 0.00 0.00 55.36 56.87 1z3r s GLN 94 Cb -0.09 -3.90 0.04 0.00 1.10 0.00 0.00 33.01 30.16 1z3r s GLN 94 CO -0.18 -1.05 -0.10 -0.46 -0.55 0.00 0.00 175.29 172.96 1z3r s TRP 95 N 4.36 3.10 -0.73 1.67 -0.11 0.42 -4.95 118.94 122.71 1z3r s TRP 95 Ca 0.61 -1.87 -0.26 0.00 1.22 0.00 0.00 56.10 55.80 1z3r s TRP 95 Cb -0.21 -1.99 0.01 0.00 -1.50 0.00 0.00 33.47 29.77 1z3r s TRP 95 CO 0.23 -0.80 1.57 -0.06 -4.62 0.00 0.00 176.95 173.27 1z3r s PHE 96 N 1.23 2.02 -0.02 5.86 0.08 -1.26 -0.97 117.98 124.92 1z3r s PHE 96 Ca -0.03 0.26 -0.30 0.00 0.12 0.00 0.00 56.93 56.98 1z3r s PHE 96 Cb -0.17 -4.38 -0.04 0.00 -0.57 0.00 0.00 43.02 37.86 1z3r s PHE 96 CO -0.06 -2.13 1.13 -1.14 -0.10 0.00 0.00 175.22 172.92 1z3r s GLN 97 N 6.28 4.42 -0.14 0.44 2.00 0.91 -4.95 119.66 128.62 1z3r s GLN 97 Ca 0.51 1.62 -0.04 0.00 -2.00 0.00 0.00 55.36 55.45 1z3r s GLN 97 Cb -0.09 -3.48 -0.03 0.00 0.80 0.00 0.00 33.01 30.21 1z3r s GLN 97 CO 0.14 -0.31 0.00 0.21 -0.50 0.00 0.00 175.29 174.84 1z3r s LYS 98 N 1.65 3.54 0.00 1.67 2.47 -1.26 -2.34 119.74 125.47 1z3r s LYS 98 Ca 0.55 -0.43 0.00 0.00 -1.56 0.00 0.00 55.97 54.53 1z3r s LYS 98 Cb -0.24 -2.96 0.00 0.00 -1.46 0.00 0.00 37.83 33.17 1z3r s LYS 98 CO 0.24 0.40 0.00 0.41 0.16 0.00 0.00 175.35 176.57