#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 4.04 -2.47 4.38 2.88 -1.26 -4.87 113.62 116.32 1z3r n SER 2 Ca 0.00 0.89 -0.18 0.00 -1.33 0.00 0.00 58.87 58.24 1z3r n SER 2 Cb 0.00 -1.51 -0.11 0.00 -0.75 0.00 0.00 64.21 61.85 1z3r n SER 2 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1z3r n LYS 3 N 7.47 2.23 0.00 -1.46 3.00 -1.26 -4.87 118.16 123.26 1z3r n LYS 3 Ca 0.21 -1.24 0.00 0.00 -0.00 0.00 0.00 58.31 57.28 1z3r n LYS 3 Cb 0.39 -2.19 0.00 0.00 0.00 0.00 0.00 35.03 33.24 1z3r n LYS 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1z3r n GLY 4 N 2.93 -0.13 4.82 3.14 0.00 -1.22 -4.54 105.19 110.19 1z3r n GLY 4 Ca 0.48 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1z3r n GLY 4 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1z3r n LEU 5 N 0.00 0.00 -0.03 0.99 4.32 -1.26 -4.40 117.00 116.62 1z3r n LEU 5 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.97 1z3r n LEU 5 Cb 0.00 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 1z3r n LEU 5 CO 0.00 0.00 -0.18 0.35 -1.22 0.00 0.00 177.39 176.34 1z3r n THR 6 N 0.00 0.65 -0.74 -5.08 -2.24 -1.26 -5.04 114.28 100.57 1z3r n THR 6 Ca 0.00 0.37 -0.32 0.00 -2.27 0.00 0.00 64.05 61.83 1z3r n THR 6 Cb 0.00 -1.90 0.14 0.00 -2.10 0.00 0.00 70.33 66.47 1z3r n THR 6 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1z3r n TYR 7 N -3.34 -0.31 -3.30 4.78 4.01 -1.26 -5.03 117.16 112.71 1z3r n TYR 7 Ca -0.04 0.32 -0.24 0.00 -0.16 0.00 0.00 57.90 57.78 1z3r n TYR 7 Cb 0.14 -1.89 -0.01 0.00 -0.31 0.00 0.00 39.34 37.26 1z3r n TYR 7 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1z3r s THR 8 N -2.51 4.97 0.34 -0.72 -4.23 -1.26 -4.47 115.64 107.77 1z3r s THR 8 Ca 0.62 -0.44 -0.29 0.00 -1.18 0.00 0.00 61.69 60.40 1z3r s THR 8 Cb -0.22 -3.82 -0.11 0.00 1.34 0.00 0.00 72.50 69.69 1z3r s THR 8 CO 0.63 -0.55 1.49 -0.04 -0.54 0.00 0.00 174.62 175.60 1z3r s MET 9 N -4.36 4.15 0.66 3.99 -1.94 -1.26 -0.07 119.30 120.47 1z3r s MET 9 Ca 0.41 2.51 -0.13 0.00 -1.71 0.00 0.00 55.69 56.78 1z3r s MET 9 Cb -0.10 -3.00 -0.00 0.00 2.01 0.00 0.00 34.83 33.74 1z3r s MET 9 CO 0.37 -0.51 1.07 0.00 -0.01 0.00 0.00 175.02 175.93 1z3r s ASP 11 N -3.30 6.53 0.59 0.00 -1.08 -1.26 -4.67 116.67 113.47 1z3r s ASP 11 Ca 0.61 2.68 0.29 0.00 -0.52 0.00 0.00 52.55 55.61 1z3r s ASP 11 Cb -0.15 -2.59 1.77 0.00 -1.46 0.00 0.00 42.92 40.48 1z3r s ASP 11 CO 0.48 -0.87 2.20 0.11 0.52 0.00 0.00 175.17 177.61 1z3r h LYS 12 N 6.89 0.00 0.00 4.34 1.57 -1.92 -3.21 116.57 124.24 1z3r h LYS 12 Ca -0.43 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1z3r h LYS 12 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.51 1z3r h LYS 12 CO 0.93 0.00 -1.88 0.00 -0.57 0.00 0.00 179.45 177.93 1z3r n ALA 13 N -2.32 2.70 0.71 3.86 0.00 -1.26 -0.81 120.51 123.39 1z3r n ALA 13 Ca -0.01 -0.46 0.02 0.00 0.00 0.00 0.00 53.44 52.98 1z3r n ALA 13 Cb 0.17 -0.65 0.09 0.00 0.00 0.00 0.00 19.45 19.05 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 -2.17 1.78 -4.04 0.00 4.76 -1.21 -4.91 118.16 112.37 1z3r n LYS 14 Ca -0.04 -0.67 -0.25 0.00 -2.87 0.00 0.00 58.31 54.49 1z3r n LYS 14 Cb 0.50 -1.59 -0.04 0.00 -1.84 0.00 0.00 35.03 32.06 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 -1.43 3.27 0.02 2.13 0.08 -1.26 -0.21 117.98 120.58 1z3r s PHE 15 Ca 0.12 -0.00 0.01 0.00 0.12 0.00 0.00 56.93 57.17 1z3r s PHE 15 Cb 0.09 -1.54 -0.02 0.00 -0.57 0.00 0.00 43.02 40.98 1z3r s PHE 15 CO 0.04 0.51 -0.04 0.95 -0.10 0.00 0.00 175.22 176.58 1z3r s THR 16 N -1.86 0.22 -0.35 0.64 -4.23 0.42 -4.94 115.64 105.54 1z3r s THR 16 Ca 0.33 -0.90 -0.29 0.00 -1.18 0.00 0.00 61.69 59.65 1z3r s THR 16 Cb -0.10 -0.34 -0.01 0.00 1.34 0.00 0.00 72.50 73.39 1z3r s THR 16 CO 0.26 -0.44 1.62 0.26 -0.54 0.00 0.00 174.62 175.78 1z3r s TRP 17 N -1.35 2.08 0.06 3.99 0.23 -1.26 -1.14 118.94 121.54 1z3r s TRP 17 Ca -0.13 0.64 -0.03 0.00 -2.03 0.00 0.00 56.10 54.55 1z3r s TRP 17 Cb -0.09 -4.19 -0.27 0.00 0.03 0.00 0.00 33.47 28.94 1z3r s TRP 17 CO -0.01 -2.55 1.07 -0.22 0.96 0.00 0.00 176.95 176.20 1z3r h LYS 18 N 11.77 0.23 -2.00 4.98 3.64 -1.25 -3.45 116.57 130.49 1z3r h LYS 18 Ca -0.31 -0.40 -0.14 0.00 -1.27 0.00 0.00 60.65 58.53 1z3r h LYS 18 Cb 1.14 0.15 -0.29 0.00 -0.41 0.00 0.00 32.23 32.82 1z3r h LYS 18 CO 1.05 1.15 -0.46 0.50 -2.27 0.00 0.00 179.45 179.42 1z3r s ARG 19 N -2.65 0.34 0.77 1.90 3.52 0.49 -4.92 118.95 118.40 1z3r s ARG 19 Ca -0.05 0.61 -0.14 0.00 -0.13 0.00 0.00 55.73 56.02 1z3r s ARG 19 Cb 0.07 -0.35 0.06 0.00 -1.56 0.00 0.00 34.95 33.17 1z3r s ARG 19 CO 0.87 -0.58 1.22 0.00 -0.81 0.00 0.00 175.30 176.00 1z3r s ALA 20 N 2.55 1.98 -0.01 6.12 0.00 -1.26 -0.60 121.76 130.54 1z3r s ALA 20 Ca 0.10 0.90 -0.36 0.00 0.00 0.00 0.00 51.96 52.61 1z3r s ALA 20 Cb -0.15 -3.50 -0.14 0.00 0.00 0.00 0.00 23.12 19.33 1z3r s ALA 20 CO -0.15 -2.10 1.65 -2.30 0.00 0.00 0.00 175.76 172.86 1z3r n PRO 21 N -2.97 1.78 -4.18 0.00 -0.02 -1.26 -4.64 135.00 123.71 1z3r n PRO 21 Ca 0.14 0.65 -0.11 0.00 -2.02 0.00 0.00 63.50 62.15 1z3r n PRO 21 Cb 0.50 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.48 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 2.24 0.04 0.27 3.45 -1.32 -0.28 -4.98 115.64 115.06 1z3r s THR 22 Ca 0.88 -1.96 -0.29 0.00 -1.21 0.00 0.00 61.69 59.10 1z3r s THR 22 Cb -0.81 -2.31 -0.09 0.00 -1.51 0.00 0.00 72.50 67.78 1z3r s THR 22 CO 0.49 -0.19 1.16 -0.62 -2.21 0.00 0.00 174.62 173.24 1z3r s ASP 23 N -3.11 7.14 0.00 8.08 2.15 -1.26 -0.55 116.67 129.12 1z3r s ASP 23 Ca 0.33 2.35 0.10 0.00 0.43 0.00 0.00 52.55 55.75 1z3r s ASP 23 Cb 0.07 -2.63 0.50 0.00 -0.30 0.00 0.00 42.92 40.56 1z3r s ASP 23 CO 0.08 -0.26 1.16 -1.54 -0.17 0.00 0.00 175.17 174.44 1z3r n SER 24 N 1.37 0.00 0.00 -0.34 3.41 0.54 -4.83 113.62 113.77 1z3r n SER 24 Ca 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 1z3r n SER 24 Cb 0.44 -0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 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 -0.46 0.52 0.31 5.00 0.00 -1.26 -4.91 105.19 104.39 1z3r n GLY 25 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.95 0.00 -1.08 1.61 8.25 -1.26 -5.00 115.22 114.79 1z3r n HIS 26 Ca 0.00 -0.19 -0.03 0.00 -0.26 0.00 0.00 57.72 57.24 1z3r n HIS 26 Cb 0.00 -0.06 -0.01 0.00 1.12 0.00 0.00 29.99 31.04 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 -0.26 -4.41 -4.60 0.41 9.92 -1.26 -5.02 116.55 111.32 1z3r n ASP 27 Ca 0.03 0.07 -0.28 0.00 -0.53 0.00 0.00 54.79 54.07 1z3r n ASP 27 Cb 0.63 -2.15 -0.09 0.00 -0.64 0.00 0.00 41.12 38.87 1z3r n ASP 27 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1z3r s THR 28 N -1.74 3.45 -0.34 -3.53 -4.23 -1.26 -4.72 115.64 103.28 1z3r s THR 28 Ca 0.00 -1.39 -0.08 0.00 -1.18 0.00 0.00 61.69 59.04 1z3r s THR 28 Cb 0.00 -2.67 0.03 0.00 1.34 0.00 0.00 72.50 71.20 1z3r s THR 28 CO 0.00 0.00 0.13 -0.69 -0.54 0.00 0.00 174.62 173.52 1z3r s VAL 29 N -1.47 4.08 -0.06 2.29 1.01 0.14 -0.34 120.40 126.05 1z3r s VAL 29 Ca 0.24 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 61.24 1z3r s VAL 29 Cb -0.10 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1z3r s VAL 29 CO 0.16 -0.14 0.12 0.68 0.00 0.00 0.00 175.10 175.92 1z3r s VAL 30 N 1.47 5.16 0.27 2.92 -7.23 0.29 -1.11 120.40 122.17 1z3r s VAL 30 Ca 0.00 -0.09 -0.13 0.00 -1.81 0.00 0.00 61.98 59.96 1z3r s VAL 30 Cb -0.19 -3.31 0.00 0.00 0.56 0.00 0.00 36.38 33.45 1z3r s VAL 30 CO 0.04 0.48 0.53 0.00 -0.31 0.00 0.00 175.10 175.84 1z3r s MET 31 N -1.41 1.66 -0.10 4.82 0.23 -0.55 -1.13 119.30 122.82 1z3r s MET 31 Ca 0.20 -1.27 -0.18 0.00 -1.03 0.00 0.00 55.69 53.41 1z3r s MET 31 Cb -0.12 0.50 0.04 0.00 -1.53 0.00 0.00 34.83 33.72 1z3r s MET 31 CO 0.10 -0.71 0.44 -2.00 -2.03 0.00 0.00 175.02 170.82 1z3r s GLU 32 N -3.80 0.65 0.11 3.16 2.12 0.23 -1.48 118.70 119.69 1z3r s GLU 32 Ca 0.21 0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.84 1z3r s GLU 32 Cb -0.02 0.31 -0.04 0.00 0.26 0.00 0.00 34.13 34.64 1z3r s GLU 32 CO 0.10 -0.14 -0.01 0.14 -0.54 0.00 0.00 175.26 174.80 1z3r s VAL 33 N -0.50 0.41 0.11 3.70 -7.23 -0.26 -0.38 120.40 116.25 1z3r s VAL 33 Ca -0.06 -1.90 0.07 0.00 -1.81 0.00 0.00 61.98 58.27 1z3r s VAL 33 Cb -0.03 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 1z3r s VAL 33 CO 0.03 -0.73 -0.16 0.00 -0.31 0.00 0.00 175.10 173.93 1z3r s ALA 34 N -3.82 1.54 -0.14 1.32 0.00 -0.30 -4.39 121.76 115.97 1z3r s ALA 34 Ca 0.16 -1.22 -0.05 0.00 0.00 0.00 0.00 51.96 50.84 1z3r s ALA 34 Cb 0.07 -0.13 0.07 0.00 0.00 0.00 0.00 23.12 23.12 1z3r s ALA 34 CO -0.03 0.20 0.29 0.12 0.00 0.00 0.00 175.76 176.34 1z3r s PHE 35 N -1.66 -0.48 -1.36 0.00 5.36 -1.26 -0.44 117.98 118.14 1z3r s PHE 35 Ca 0.06 1.05 0.29 0.00 -0.96 0.00 0.00 56.93 57.37 1z3r s PHE 35 Cb -0.08 0.04 1.41 0.00 -0.34 0.00 0.00 43.02 44.05 1z3r s PHE 35 CO 0.04 -0.36 1.98 0.43 -1.46 0.00 0.00 175.22 175.85 1z3r n SER 36 N 5.17 0.00 -0.97 6.13 7.64 0.71 -4.87 113.62 127.44 1z3r n SER 36 Ca -0.10 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1z3r n SER 36 Cb 0.50 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 1.19 1.47 3.25 0.23 0.00 -1.26 -5.08 105.19 104.99 1z3r n GLY 37 Ca 0.13 -1.68 -0.34 0.00 0.00 0.00 0.00 46.02 44.12 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 -3.72 2.61 -2.24 -1.26 -5.08 114.28 104.58 1z3r n THR 38 Ca 0.00 -0.31 -0.18 0.00 -2.27 0.00 0.00 64.05 61.29 1z3r n THR 38 Cb 0.00 -0.38 -0.17 0.00 -2.10 0.00 0.00 70.33 67.68 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 -2.99 -0.03 0.95 -0.78 -0.14 -1.26 -4.43 119.74 111.06 1z3r s LYS 39 Ca 0.50 0.28 -0.14 0.00 -1.36 0.00 0.00 55.97 55.26 1z3r s LYS 39 Cb -0.19 -0.42 0.16 0.00 -1.68 0.00 0.00 37.83 35.70 1z3r s LYS 39 CO 0.73 -0.26 1.17 -1.25 -0.76 0.00 0.00 175.35 174.99 1z3r s PRO 40 N 1.69 0.81 0.19 -1.68 0.04 -1.26 -5.00 135.00 129.79 1z3r s PRO 40 Ca -0.01 0.09 -0.14 0.00 0.04 0.00 0.00 61.00 60.98 1z3r s PRO 40 Cb -0.12 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1z3r s PRO 40 CO -0.03 -2.38 0.44 0.00 0.04 0.00 0.00 177.00 175.07 1z3r s ARG 42 N -3.92 4.10 -0.13 0.00 3.52 0.90 -0.66 118.95 122.76 1z3r s ARG 42 Ca 0.13 -0.14 -0.29 0.00 -0.13 0.00 0.00 55.73 55.29 1z3r s ARG 42 Cb 0.00 -3.53 -0.02 0.00 -1.56 0.00 0.00 34.95 29.84 1z3r s ARG 42 CO -0.01 0.05 1.19 0.42 -0.81 0.00 0.00 175.30 176.14 1z3r s ILE 43 N 1.09 4.37 -0.98 4.11 1.01 0.06 -0.58 121.20 130.28 1z3r s ILE 43 Ca 0.11 1.66 -0.20 0.00 0.00 0.00 0.00 60.65 62.22 1z3r s ILE 43 Cb -0.14 -4.07 -0.10 0.00 0.01 0.00 0.00 42.46 38.16 1z3r s ILE 43 CO 0.05 -0.09 2.00 -0.81 0.00 0.00 0.00 174.94 176.10 1z3r n PRO 44 N 5.97 1.90 -3.74 2.79 -0.04 -1.26 -4.76 135.00 135.85 1z3r n PRO 44 Ca 0.12 -2.10 -0.37 0.00 -0.04 0.00 0.00 63.50 61.11 1z3r n PRO 44 Cb 0.46 -3.07 -0.06 0.00 -0.04 0.00 0.00 33.50 30.79 1z3r n PRO 44 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1z3r s VAL 45 N 4.80 5.33 0.16 0.52 1.01 -1.26 -0.70 120.40 130.26 1z3r s VAL 45 Ca 0.55 0.44 -0.18 0.00 0.00 0.00 0.00 61.98 62.79 1z3r s VAL 45 Cb 0.13 -3.52 0.04 0.00 0.00 0.00 0.00 36.38 33.04 1z3r s VAL 45 CO 0.06 0.60 0.49 0.00 0.00 0.00 0.00 175.10 176.26 1z3r s ARG 46 N -1.06 1.25 -0.06 2.72 1.70 -0.98 -5.02 118.95 117.49 1z3r s ARG 46 Ca 0.18 -0.73 0.02 0.00 -0.47 0.00 0.00 55.73 54.73 1z3r s ARG 46 Cb -0.14 0.51 0.01 0.00 -0.57 0.00 0.00 34.95 34.77 1z3r s ARG 46 CO 0.08 -0.52 -0.11 0.00 -1.08 0.00 0.00 175.30 173.66 1z3r s ALA 47 N -3.83 1.20 -0.16 7.88 0.00 -1.26 -0.39 121.76 125.20 1z3r s ALA 47 Ca 0.05 -0.37 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1z3r s ALA 47 Cb 0.00 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.59 1z3r s ALA 47 CO -0.08 0.10 -0.18 0.14 0.00 0.00 0.00 175.76 175.74 1z3r s VAL 48 N 0.70 1.85 0.37 0.00 -7.23 -0.05 -0.16 120.40 115.88 1z3r s VAL 48 Ca -0.14 -0.82 -0.27 0.00 -1.81 0.00 0.00 61.98 58.94 1z3r s VAL 48 Cb -0.16 -1.69 -0.10 0.00 0.56 0.00 0.00 36.38 35.00 1z3r s VAL 48 CO 0.03 0.51 1.34 0.00 -0.31 0.00 0.00 175.10 176.67 1z3r s ALA 49 N 1.27 3.42 -0.49 1.32 0.00 -1.26 -0.50 121.76 125.53 1z3r s ALA 49 Ca 0.03 1.32 -0.31 0.00 0.00 0.00 0.00 51.96 52.99 1z3r s ALA 49 Cb -0.13 -3.51 -0.12 0.00 0.00 0.00 0.00 23.12 19.36 1z3r s ALA 49 CO -0.10 -0.81 2.35 1.58 0.00 0.00 0.00 175.76 178.78 1z3r n HIS 50 N 0.45 1.39 0.00 0.00 -0.00 -0.05 -1.19 115.22 115.83 1z3r n HIS 50 Ca 0.02 0.22 0.00 0.00 0.46 0.00 0.00 57.72 58.42 1z3r n HIS 50 Cb 0.42 -2.55 0.00 0.00 -0.12 0.00 0.00 29.99 27.74 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 6.34 1.51 2.37 1.57 0.00 -1.26 -5.03 105.19 110.69 1z3r n GLY 51 Ca 0.44 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.20 1z3r n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1z3r n ALA 52 N -0.59 2.98 0.46 4.61 0.00 -0.33 -4.99 120.51 122.65 1z3r n ALA 52 Ca 0.00 -3.73 0.06 0.00 0.00 0.00 0.00 53.44 49.77 1z3r n ALA 52 Cb 0.00 -0.84 0.27 0.00 0.00 0.00 0.00 19.45 18.88 1z3r n ALA 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1z3r n PRO 53 N 1.72 0.04 0.10 0.00 -0.04 -1.26 -2.20 135.00 133.36 1z3r n PRO 53 Ca 0.25 0.26 -0.03 0.00 -0.04 0.00 0.00 63.50 63.95 1z3r n PRO 53 Cb 0.47 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.43 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 -3.44 3.54 5.19 -1.94 -3.45 116.42 116.32 1z3r h ASP 54 Ca 0.00 0.00 -0.73 0.00 -0.62 0.00 0.00 57.03 55.68 1z3r h ASP 54 Cb 0.19 0.00 -0.22 0.00 0.18 0.00 0.00 39.33 39.48 1z3r h ASP 54 CO 0.00 0.76 -0.40 -0.69 -3.12 0.00 0.00 179.24 175.80 1z3r s VAL 55 N -2.96 5.24 0.12 -1.35 1.01 -0.94 -5.06 120.40 116.46 1z3r s VAL 55 Ca 0.01 -0.80 -0.31 0.00 0.00 0.00 0.00 61.98 60.88 1z3r s VAL 55 Cb 0.10 -3.99 -0.09 0.00 0.00 0.00 0.00 36.38 32.40 1z3r s VAL 55 CO 0.78 -0.40 1.54 -0.62 0.00 0.00 0.00 175.10 176.40 1z3r s ASP 56 N 1.99 6.66 0.00 3.32 2.15 -1.26 -4.00 116.67 125.53 1z3r s ASP 56 Ca 0.05 2.48 0.05 0.00 0.43 0.00 0.00 52.55 55.56 1z3r s ASP 56 Cb -0.21 -2.58 0.09 0.00 -0.30 0.00 0.00 42.92 39.92 1z3r s ASP 56 CO 0.09 -0.80 0.88 1.33 -0.17 0.00 0.00 175.17 176.50 1z3r n VAL 57 N 4.23 0.45 -2.08 1.11 0.24 0.78 -4.95 118.33 118.12 1z3r n VAL 57 Ca 0.14 -0.73 -0.42 0.00 -2.04 0.00 0.00 64.34 61.29 1z3r n VAL 57 Cb 0.40 0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 33.58 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 -0.71 2.74 -1.02 2.33 0.00 -1.25 -4.57 121.76 119.29 1z3r s ALA 58 Ca 0.09 -0.03 -0.19 0.00 0.00 0.00 0.00 51.96 51.83 1z3r s ALA 58 Cb 0.05 -4.07 0.11 0.00 0.00 0.00 0.00 23.12 19.22 1z3r s ALA 58 CO 0.07 -2.88 1.29 -1.64 0.00 0.00 0.00 175.76 172.61 1z3r s MET 59 N 5.84 3.69 0.02 0.00 -1.94 0.38 -4.89 119.30 122.39 1z3r s MET 59 Ca 0.73 -1.72 -0.32 0.00 -1.71 0.00 0.00 55.69 52.67 1z3r s MET 59 Cb -0.18 -5.09 -0.11 0.00 2.01 0.00 0.00 34.83 31.45 1z3r s MET 59 CO 0.30 -1.92 1.87 1.28 -0.01 0.00 0.00 175.02 176.54 1z3r n LEU 60 N 7.16 3.75 -0.06 -0.03 4.77 -1.26 -0.23 117.00 131.10 1z3r n LEU 60 Ca 0.30 0.97 -0.10 0.00 -0.03 0.00 0.00 56.01 57.15 1z3r n LEU 60 Cb 0.49 -1.46 -0.15 0.00 -2.33 0.00 0.00 43.42 39.97 1z3r n LEU 60 CO 0.58 0.05 -0.86 -0.38 -1.33 0.00 0.00 177.39 175.44 1z3r n ILE 61 N 4.99 1.50 -2.92 -0.08 2.08 0.77 -4.89 119.36 120.80 1z3r n ILE 61 Ca 0.20 -0.82 -0.21 0.00 0.56 0.00 0.00 62.75 62.47 1z3r n ILE 61 Cb 0.34 -0.76 0.02 0.00 -0.75 0.00 0.00 39.64 38.50 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 -2.54 3.50 1.10 1.39 -1.32 -0.80 -4.98 115.64 112.00 1z3r s THR 62 Ca -0.08 -0.64 -0.13 0.00 -1.21 0.00 0.00 61.69 59.63 1z3r s THR 62 Cb 0.07 -3.28 0.23 0.00 -1.51 0.00 0.00 72.50 68.00 1z3r s THR 62 CO 0.82 -0.18 0.90 -2.65 -2.21 0.00 0.00 174.62 171.30 1z3r n PRO 63 N -2.10 -1.82 -1.18 7.08 -0.02 -1.26 -4.79 135.00 130.90 1z3r n PRO 63 Ca 0.04 -0.49 -0.29 0.00 -2.02 0.00 0.00 63.50 60.73 1z3r n PRO 63 Cb 0.58 -2.15 -0.13 0.00 -0.02 0.00 0.00 33.50 31.78 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 -4.26 -0.06 -4.81 2.55 5.15 -1.26 -4.85 115.26 107.72 1z3r n ASN 64 Ca 0.05 0.02 -0.33 0.00 -0.60 0.00 0.00 54.58 53.72 1z3r n ASN 64 Cb 0.54 -0.66 -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 6.77 3.86 0.07 1.20 0.04 -1.26 -3.42 135.00 142.26 1z3r s PRO 65 Ca 1.07 1.24 0.05 0.00 0.04 0.00 0.00 61.00 63.39 1z3r s PRO 65 Cb -0.93 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.47 1z3r s PRO 65 CO 0.40 -0.37 -0.13 0.95 0.04 0.00 0.00 177.00 177.89 1z3r s THR 66 N -2.16 1.02 -0.15 1.26 -4.23 -1.26 -0.76 115.64 109.36 1z3r s THR 66 Ca 0.65 -1.33 0.00 0.00 -1.18 0.00 0.00 61.69 59.83 1z3r s THR 66 Cb -0.14 -1.05 -0.00 0.00 1.34 0.00 0.00 72.50 72.65 1z3r s THR 66 CO 0.22 -0.29 -0.16 -0.32 -0.54 0.00 0.00 174.62 173.53 1z3r s MET 67 N -1.86 3.21 0.31 3.99 1.75 0.17 -0.38 119.30 126.49 1z3r s MET 67 Ca -0.02 -0.75 0.05 0.00 -1.25 0.00 0.00 55.69 53.72 1z3r s MET 67 Cb -0.09 -2.61 -0.03 0.00 2.84 0.00 0.00 34.83 34.93 1z3r s MET 67 CO 0.02 0.02 0.22 -1.21 -0.65 0.00 0.00 175.02 173.41 1z3r s GLU 68 N 0.81 1.65 -0.21 4.11 2.02 -1.21 -0.93 118.70 124.93 1z3r s GLU 68 Ca -0.05 -1.95 -0.15 0.00 0.02 0.00 0.00 54.97 52.83 1z3r s GLU 68 Cb -0.15 0.15 -0.19 0.00 0.10 0.00 0.00 34.13 34.04 1z3r s GLU 68 CO -0.00 -0.55 0.07 0.27 0.02 0.00 0.00 175.26 175.07 1z3r n ASN 69 N -1.20 1.95 -0.87 -0.19 0.23 -1.26 -4.49 115.26 109.41 1z3r n ASN 69 Ca 0.04 0.31 0.00 0.00 -0.53 0.00 0.00 54.58 54.41 1z3r n ASN 69 Cb 0.64 -0.87 0.00 0.00 -2.08 0.00 0.00 39.78 37.47 1z3r n ASN 69 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1z3r n ASN 70 N -4.11 0.60 0.00 0.53 6.94 -1.26 -4.88 115.26 113.08 1z3r n ASN 70 Ca -0.39 -0.48 0.00 0.00 -0.02 0.00 0.00 54.58 53.69 1z3r n ASN 70 Cb 0.83 -0.12 0.00 0.00 -2.36 0.00 0.00 39.78 38.13 1z3r n ASN 70 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1z3r n GLY 71 N 0.75 0.23 0.00 4.83 0.00 -1.26 -4.94 105.19 104.80 1z3r n GLY 71 Ca 0.00 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 1.05 0.52 -0.02 0.00 -1.26 -3.33 105.19 102.16 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 1.27 0.53 3.84 -0.02 0.00 0.49 -4.81 105.19 106.49 1z3r n GLY 73 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.21 3.56 -0.09 1.61 5.36 -1.26 -1.10 117.98 123.85 1z3r s PHE 74 Ca 0.00 1.17 -0.10 0.00 -0.96 0.00 0.00 56.93 57.04 1z3r s PHE 74 Cb 0.00 -2.46 0.03 0.00 -0.34 0.00 0.00 43.02 40.24 1z3r s PHE 74 CO 0.00 0.32 0.28 0.42 -1.46 0.00 0.00 175.22 174.78 1z3r s ILE 75 N -1.61 0.01 -0.01 3.12 1.01 -0.55 -4.71 121.20 118.46 1z3r s ILE 75 Ca 0.43 -0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.99 1z3r s ILE 75 Cb -0.14 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 41.90 1z3r s ILE 75 CO 0.20 -0.06 -0.03 -0.70 0.00 0.00 0.00 174.94 174.35 1z3r s GLU 76 N -0.13 0.35 0.11 2.79 2.12 -1.26 -1.48 118.70 121.20 1z3r s GLU 76 Ca -0.03 -0.10 -0.09 0.00 0.36 0.00 0.00 54.97 55.12 1z3r s GLU 76 Cb -0.03 -0.38 -0.00 0.00 0.26 0.00 0.00 34.13 33.98 1z3r s GLU 76 CO 0.01 0.03 0.22 0.00 -0.54 0.00 0.00 175.26 174.98 1z3r s MET 77 N 0.19 0.95 0.13 4.30 0.23 -0.27 -0.17 119.30 124.66 1z3r s MET 77 Ca -0.02 -1.04 0.11 0.00 -1.03 0.00 0.00 55.69 53.71 1z3r s MET 77 Cb -0.05 0.35 -0.04 0.00 -1.53 0.00 0.00 34.83 33.57 1z3r s MET 77 CO -0.00 -0.32 -0.26 -1.14 -2.03 0.00 0.00 175.02 171.27 1z3r s GLN 78 N -3.90 1.37 0.07 3.16 0.74 0.68 0.24 119.66 122.02 1z3r s GLN 78 Ca 0.09 -1.34 -0.01 0.00 0.05 0.00 0.00 55.36 54.15 1z3r s GLN 78 Cb 0.04 -1.81 -0.04 0.00 1.10 0.00 0.00 33.01 32.31 1z3r s GLN 78 CO -0.07 0.42 -0.00 -0.51 -0.55 0.00 0.00 175.29 174.58 1z3r s LEU 79 N -2.11 2.29 0.01 3.68 1.02 -1.26 -0.47 118.68 121.84 1z3r s LEU 79 Ca 0.14 -1.04 -0.30 0.00 0.02 0.00 0.00 54.13 52.94 1z3r s LEU 79 Cb -0.10 0.24 -0.05 0.00 0.02 0.00 0.00 46.19 46.30 1z3r s LEU 79 CO 0.06 -0.63 1.33 -2.16 0.02 0.00 0.00 176.35 174.97 1z3r s PRO 80 N -3.95 4.32 0.38 1.29 0.04 -1.26 -4.85 135.00 130.97 1z3r s PRO 80 Ca 0.11 1.89 -0.26 0.00 0.04 0.00 0.00 61.00 62.79 1z3r s PRO 80 Cb 0.08 -3.49 -0.11 0.00 0.04 0.00 0.00 34.50 31.01 1z3r s PRO 80 CO -0.07 -0.48 1.08 -2.30 0.04 0.00 0.00 177.00 175.27 1z3r n PRO 81 N 4.94 1.54 0.00 0.56 -0.02 -1.26 -4.66 135.00 136.10 1z3r n PRO 81 Ca 0.12 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1z3r n PRO 81 Cb 0.44 -2.08 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 1.09 0.45 3.51 -1.23 0.00 -0.96 -4.96 105.19 103.09 1z3r n GLY 82 Ca 0.08 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.70 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 4.79 -0.06 1.61 3.68 -1.26 -0.05 116.67 121.38 1z3r s ASP 83 Ca 0.00 -0.12 -0.00 0.00 2.13 0.00 0.00 52.55 54.56 1z3r s ASP 83 Cb 0.00 -1.73 0.03 0.00 -1.45 0.00 0.00 42.92 39.76 1z3r s ASP 83 CO 0.00 0.19 -0.01 0.20 0.13 0.00 0.00 175.17 175.68 1z3r s ASN 84 N 0.24 1.24 -0.47 -0.34 0.01 -0.12 -0.87 114.94 114.64 1z3r s ASN 84 Ca -0.03 -0.09 -0.24 0.00 -0.71 0.00 0.00 52.86 51.79 1z3r s ASN 84 Cb -0.14 -0.41 0.03 0.00 0.41 0.00 0.00 41.25 41.14 1z3r s ASN 84 CO 0.03 -0.14 0.88 -0.63 -1.51 0.00 0.00 177.10 175.73 1z3r s ILE 85 N 1.53 4.52 -0.20 0.60 1.09 0.35 -0.43 121.20 128.66 1z3r s ILE 85 Ca -0.02 0.57 -0.19 0.00 -1.10 0.00 0.00 60.65 59.91 1z3r s ILE 85 Cb -0.13 -4.41 -0.03 0.00 -1.06 0.00 0.00 42.46 36.83 1z3r s ILE 85 CO -0.03 -0.84 0.57 -0.63 -0.10 0.00 0.00 174.94 173.91 1z3r s ILE 86 N 3.63 5.06 -0.01 2.92 1.01 0.28 -0.87 121.20 133.23 1z3r s ILE 86 Ca 0.34 1.05 0.03 0.00 0.00 0.00 0.00 60.65 62.07 1z3r s ILE 86 Cb -0.11 -3.89 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 1z3r s ILE 86 CO 0.24 0.14 -0.06 -0.31 0.00 0.00 0.00 174.94 174.95 1z3r s TYR 87 N 1.81 2.91 -0.51 3.97 2.02 0.47 -0.42 117.35 127.61 1z3r s TYR 87 Ca 0.26 -0.02 0.04 0.00 -0.37 0.00 0.00 57.07 56.98 1z3r s TYR 87 Cb -0.16 -1.63 0.13 0.00 -0.40 0.00 0.00 41.96 39.91 1z3r s TYR 87 CO 0.10 0.38 0.27 0.08 -1.57 0.00 0.00 175.55 174.80 1z3r s VAL 88 N -0.98 2.38 0.00 0.71 1.01 0.41 -2.32 120.40 121.61 1z3r s VAL 88 Ca 0.17 -3.23 0.00 0.00 0.00 0.00 0.00 61.98 58.92 1z3r s VAL 88 Cb -0.11 -2.65 0.00 0.00 0.00 0.00 0.00 36.38 33.62 1z3r s VAL 88 CO 0.07 -0.83 0.00 0.61 0.00 0.00 0.00 175.10 174.95 1z3r n GLY 89 N 3.13 1.93 0.00 4.51 0.00 0.13 -2.76 105.19 112.13 1z3r n GLY 89 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1z3r n GLY 89 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1z3r n GLU 90 N 0.00 2.76 -1.70 1.61 4.07 0.01 -4.95 120.64 122.45 1z3r n GLU 90 Ca 0.00 0.00 -0.44 0.00 -0.06 0.00 0.00 57.16 56.66 1z3r n GLU 90 Cb 0.00 -0.75 -0.03 0.00 -0.06 0.00 0.00 31.44 30.61 1z3r n GLU 90 CO 0.00 0.00 0.00 -0.11 -0.06 0.00 0.00 177.13 176.96 1z3r n LEU 91 N -1.14 3.66 -4.22 4.31 7.94 -1.11 -5.00 117.00 121.44 1z3r n LEU 91 Ca 0.00 1.12 -0.13 0.00 -1.11 0.00 0.00 56.01 55.90 1z3r n LEU 91 Cb 0.00 -1.51 -0.10 0.00 0.53 0.00 0.00 43.42 42.34 1z3r n LEU 91 CO 0.00 -0.15 -0.26 -1.59 -1.11 0.00 0.00 177.39 174.29 1z3r s LYS 92 N -0.03 1.19 -0.18 1.96 -2.85 -1.26 -0.45 119.74 118.12 1z3r s LYS 92 Ca 0.69 -1.62 -0.09 0.00 -1.00 0.00 0.00 55.97 53.95 1z3r s LYS 92 Cb -0.58 0.14 0.06 0.00 -2.06 0.00 0.00 37.83 35.39 1z3r s LYS 92 CO 0.45 -0.34 0.42 -1.58 0.10 0.00 0.00 175.35 174.40 1z3r s HIS 93 N -4.04 -0.65 -0.18 1.78 2.46 0.44 -4.98 115.29 110.13 1z3r s HIS 93 Ca 0.36 1.35 -0.29 0.00 0.47 0.00 0.00 55.06 56.95 1z3r s HIS 93 Cb 0.07 0.29 -0.02 0.00 -0.13 0.00 0.00 32.58 32.79 1z3r s HIS 93 CO 0.10 -0.37 1.44 -1.14 -2.47 0.00 0.00 174.74 172.30 1z3r s GLN 94 N 1.56 4.06 -0.25 2.88 0.74 -1.26 -0.56 119.66 126.83 1z3r s GLN 94 Ca -0.09 1.71 0.01 0.00 0.05 0.00 0.00 55.36 57.05 1z3r s GLN 94 Cb -0.09 -3.90 0.05 0.00 1.10 0.00 0.00 33.01 30.17 1z3r s GLN 94 CO -0.13 -0.95 -0.10 -0.46 -0.55 0.00 0.00 175.29 173.10 1z3r s TRP 95 N 4.17 3.17 -0.54 1.67 -0.11 0.43 -4.95 118.94 122.77 1z3r s TRP 95 Ca 0.63 -2.05 -0.28 0.00 1.22 0.00 0.00 56.10 55.62 1z3r s TRP 95 Cb -0.24 -1.97 0.01 0.00 -1.50 0.00 0.00 33.47 29.77 1z3r s TRP 95 CO 0.23 -0.84 1.43 -0.06 -4.62 0.00 0.00 176.95 173.09 1z3r s PHE 96 N 1.18 2.27 0.14 5.86 0.08 -1.26 -0.94 117.98 125.31 1z3r s PHE 96 Ca -0.05 0.50 -0.21 0.00 0.12 0.00 0.00 56.93 57.29 1z3r s PHE 96 Cb -0.18 -4.37 -0.07 0.00 -0.57 0.00 0.00 43.02 37.82 1z3r s PHE 96 CO -0.05 -2.00 0.67 -1.14 -0.10 0.00 0.00 175.22 172.59 1z3r s GLN 97 N 5.49 4.32 0.00 0.44 2.00 0.92 -4.95 119.66 127.88 1z3r s GLN 97 Ca 0.54 0.89 0.07 0.00 -2.00 0.00 0.00 55.36 54.86 1z3r s GLN 97 Cb -0.11 -3.16 -0.02 0.00 0.80 0.00 0.00 33.01 30.52 1z3r s GLN 97 CO 0.26 0.56 -0.21 0.21 -0.50 0.00 0.00 175.29 175.61 1z3r s LYS 98 N -1.34 1.62 0.00 1.67 2.47 -1.26 -2.26 119.74 120.64 1z3r s LYS 98 Ca 0.34 -0.82 0.00 0.00 -1.56 0.00 0.00 55.97 53.94 1z3r s LYS 98 Cb -0.20 -1.62 0.00 0.00 -1.46 0.00 0.00 37.83 34.55 1z3r s LYS 98 CO 0.22 0.44 0.00 0.41 0.16 0.00 0.00 175.35 176.57