#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 0.31 -1.18 4.38 3.41 -1.26 -4.85 113.62 114.43 1z3r n SER 2 Ca 0.00 -0.39 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 1z3r n SER 2 Cb 0.00 -1.02 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 1z3r n SER 2 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1z3r n LYS 3 N 7.72 0.78 -1.46 4.33 4.76 -1.26 -4.74 118.16 128.29 1z3r n LYS 3 Ca 0.59 0.00 -0.59 0.00 -2.87 0.00 0.00 58.31 55.44 1z3r n LYS 3 Cb 0.21 -1.11 -0.10 0.00 -1.84 0.00 0.00 35.03 32.19 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 0.90 0.22 0.00 0.72 0.00 -1.26 -4.56 105.19 101.20 1z3r n GLY 4 Ca 0.00 1.03 0.02 0.00 0.00 0.00 0.00 46.02 47.07 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 7.03 0.00 0.00 0.99 4.32 -1.26 -3.19 117.00 124.89 1z3r n LEU 5 Ca 0.43 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.78 1z3r n LEU 5 Cb 0.04 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.48 1z3r n LEU 5 CO 0.85 -0.30 0.23 0.35 -1.22 0.00 0.00 177.39 177.30 1z3r n THR 6 N -1.36 0.05 -1.77 -5.08 -2.24 -1.26 -5.04 114.28 97.58 1z3r n THR 6 Ca 0.02 -0.46 -0.34 0.00 -2.27 0.00 0.00 64.05 61.00 1z3r n THR 6 Cb 0.04 1.10 0.05 0.00 -2.10 0.00 0.00 70.33 69.43 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 -0.05 2.39 0.95 4.78 2.02 -1.19 -5.04 117.35 121.20 1z3r s TYR 7 Ca 0.00 1.56 -0.12 0.00 -0.37 0.00 0.00 57.07 58.14 1z3r s TYR 7 Cb 0.00 -3.35 0.16 0.00 -0.40 0.00 0.00 41.96 38.37 1z3r s TYR 7 CO 0.00 -2.08 1.09 -0.08 -1.57 0.00 0.00 175.55 172.91 1z3r s THR 8 N -1.99 2.33 0.31 -0.71 -1.32 -1.26 -4.44 115.64 108.55 1z3r s THR 8 Ca 0.72 0.11 -0.27 0.00 -1.21 0.00 0.00 61.69 61.04 1z3r s THR 8 Cb -0.26 -2.61 -0.09 0.00 -1.51 0.00 0.00 72.50 68.03 1z3r s THR 8 CO 0.39 -0.14 0.98 -0.04 -2.21 0.00 0.00 174.62 173.60 1z3r s MET 9 N -4.96 4.60 0.50 7.08 -1.94 -1.26 -0.02 119.30 123.29 1z3r s MET 9 Ca 0.64 1.46 -0.21 0.00 -1.71 0.00 0.00 55.69 55.87 1z3r s MET 9 Cb -0.18 -2.94 -0.07 0.00 2.01 0.00 0.00 34.83 33.65 1z3r s MET 9 CO 0.57 0.27 1.13 0.00 -0.01 0.00 0.00 175.02 176.98 1z3r n ASP 11 N -0.87 3.90 0.28 0.00 -0.08 -1.26 -4.69 116.55 113.83 1z3r n ASP 11 Ca 0.09 0.79 0.15 0.00 -1.51 0.00 0.00 54.79 54.31 1z3r n ASP 11 Cb 0.50 -1.51 0.78 0.00 2.34 0.00 0.00 41.12 43.23 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 11.19 0.00 -0.28 -0.67 1.57 -1.93 -2.29 116.57 124.16 1z3r h LYS 12 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1z3r h LYS 12 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1z3r h LYS 12 CO 0.95 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 179.83 1z3r n ALA 13 N -1.85 2.27 0.28 3.86 0.00 -1.26 -0.65 120.51 123.16 1z3r n ALA 13 Ca -0.02 -1.32 0.04 0.00 0.00 0.00 0.00 53.44 52.14 1z3r n ALA 13 Cb 0.27 -0.41 0.05 0.00 0.00 0.00 0.00 19.45 19.35 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 0.18 0.71 -2.46 0.00 4.76 -0.86 -5.04 118.16 115.45 1z3r n LYS 14 Ca 0.11 -1.19 -0.31 0.00 -2.87 0.00 0.00 58.31 54.05 1z3r n LYS 14 Cb 0.47 -1.18 -0.02 0.00 -1.84 0.00 0.00 35.03 32.46 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 -0.79 3.49 -0.01 2.13 0.08 -1.26 -0.65 117.98 120.97 1z3r s PHE 15 Ca 0.12 1.28 -0.02 0.00 0.12 0.00 0.00 56.93 58.43 1z3r s PHE 15 Cb 0.08 -2.65 0.00 0.00 -0.57 0.00 0.00 43.02 39.88 1z3r s PHE 15 CO 0.11 -0.34 0.05 0.95 -0.10 0.00 0.00 175.22 175.89 1z3r s THR 16 N -2.65 0.02 -0.42 0.64 -4.23 0.21 -4.96 115.64 104.25 1z3r s THR 16 Ca 0.55 -0.19 -0.28 0.00 -1.18 0.00 0.00 61.69 60.59 1z3r s THR 16 Cb -0.10 -0.14 -0.01 0.00 1.34 0.00 0.00 72.50 73.59 1z3r s THR 16 CO 0.36 -0.11 1.68 0.26 -0.54 0.00 0.00 174.62 176.27 1z3r s TRP 17 N -0.31 1.97 0.11 3.99 0.23 -1.26 -0.82 118.94 122.84 1z3r s TRP 17 Ca -0.04 0.65 -0.04 0.00 -2.03 0.00 0.00 56.10 54.65 1z3r s TRP 17 Cb -0.02 -4.19 -0.16 0.00 0.03 0.00 0.00 33.47 29.12 1z3r s TRP 17 CO 0.00 -2.51 1.24 -0.22 0.96 0.00 0.00 176.95 176.42 1z3r h LYS 18 N 12.57 0.33 -2.33 4.98 3.64 -1.09 -3.43 116.57 131.25 1z3r h LYS 18 Ca -0.30 -0.43 -0.28 0.00 -1.27 0.00 0.00 60.65 58.36 1z3r h LYS 18 Cb 1.15 0.14 -0.34 0.00 -0.41 0.00 0.00 32.23 32.77 1z3r h LYS 18 CO 1.09 1.14 -0.60 0.50 -2.27 0.00 0.00 179.45 179.32 1z3r s ARG 19 N -3.01 0.25 0.76 1.90 3.52 0.19 -4.92 118.95 117.64 1z3r s ARG 19 Ca -0.05 0.22 -0.15 0.00 -0.13 0.00 0.00 55.73 55.63 1z3r s ARG 19 Cb 0.08 -0.96 0.05 0.00 -1.56 0.00 0.00 34.95 32.56 1z3r s ARG 19 CO 0.87 -0.71 1.21 0.00 -0.81 0.00 0.00 175.30 175.86 1z3r n ALA 20 N 5.33 0.28 -1.66 6.12 0.00 -1.26 -0.46 120.51 128.86 1z3r n ALA 20 Ca -0.05 -0.23 -0.49 0.00 0.00 0.00 0.00 53.44 52.67 1z3r n ALA 20 Cb 0.49 -2.26 -0.05 0.00 0.00 0.00 0.00 19.45 17.63 1z3r n ALA 20 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1z3r n PRO 21 N -2.76 1.80 -3.99 0.00 -0.02 -1.26 -4.69 135.00 124.08 1z3r n PRO 21 Ca 0.14 0.66 -0.08 0.00 -2.02 0.00 0.00 63.50 62.20 1z3r n PRO 21 Cb 0.50 -2.41 -0.09 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 2.01 0.18 0.56 3.45 -1.32 -0.06 -4.96 115.64 115.50 1z3r s THR 22 Ca 0.86 -1.54 -0.19 0.00 -1.21 0.00 0.00 61.69 59.61 1z3r s THR 22 Cb -0.80 -1.47 -0.05 0.00 -1.51 0.00 0.00 72.50 68.68 1z3r s THR 22 CO 0.47 -0.82 1.18 -0.62 -2.21 0.00 0.00 174.62 172.62 1z3r s ASP 23 N -2.90 5.47 0.25 8.08 2.15 -1.26 -0.40 116.67 128.06 1z3r s ASP 23 Ca 0.07 2.31 0.23 0.00 0.43 0.00 0.00 52.55 55.59 1z3r s ASP 23 Cb 0.07 -2.59 0.20 0.00 -0.30 0.00 0.00 42.92 40.29 1z3r s ASP 23 CO -0.10 -1.40 1.28 0.77 -0.17 0.00 0.00 175.17 175.56 1z3r h SER 24 N 1.12 0.00 0.00 -0.34 4.64 -1.36 -3.44 113.55 114.17 1z3r h SER 24 Ca -0.50 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1z3r h SER 24 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1z3r h SER 24 CO 0.56 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.15 1z3r n GLY 25 N 1.20 1.05 1.16 -0.77 0.00 -1.26 -4.93 105.19 101.64 1z3r n GLY 25 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.00 0.54 -2.19 1.61 8.25 -1.26 -4.93 115.22 115.23 1z3r n HIS 26 Ca 0.00 -0.28 -0.20 0.00 -0.26 0.00 0.00 57.72 56.98 1z3r n HIS 26 Cb 0.00 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 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 1.49 -5.61 -4.79 0.41 8.00 -1.26 -5.03 116.55 109.77 1z3r n ASP 27 Ca 0.20 0.13 -0.22 0.00 0.71 0.00 0.00 54.79 55.61 1z3r n ASP 27 Cb 0.60 -4.75 -0.05 0.00 -0.02 0.00 0.00 41.12 36.90 1z3r n ASP 27 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1z3r s THR 28 N -2.92 3.13 -0.21 -3.53 -4.23 -1.26 -4.78 115.64 101.84 1z3r s THR 28 Ca 0.00 -1.54 0.02 0.00 -1.18 0.00 0.00 61.69 58.98 1z3r s THR 28 Cb 0.00 -3.06 0.04 0.00 1.34 0.00 0.00 72.50 70.82 1z3r s THR 28 CO 0.00 -0.15 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.08 1z3r s VAL 29 N -2.40 2.04 0.04 2.29 1.01 0.12 -0.85 120.40 122.65 1z3r s VAL 29 Ca 0.40 -1.18 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1z3r s VAL 29 Cb -0.03 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1z3r s VAL 29 CO 0.25 0.30 0.21 0.68 0.00 0.00 0.00 175.10 176.53 1z3r s VAL 30 N 1.24 5.39 0.25 2.92 -7.23 0.47 -0.76 120.40 122.68 1z3r s VAL 30 Ca -0.01 -0.28 -0.16 0.00 -1.81 0.00 0.00 61.98 59.73 1z3r s VAL 30 Cb -0.16 -3.60 0.01 0.00 0.56 0.00 0.00 36.38 33.19 1z3r s VAL 30 CO -0.10 0.20 0.56 0.00 -0.31 0.00 0.00 175.10 175.46 1z3r s MET 31 N -2.32 1.62 -0.07 4.82 0.23 -0.90 -0.88 119.30 121.79 1z3r s MET 31 Ca 0.33 -1.13 -0.21 0.00 -1.03 0.00 0.00 55.69 53.64 1z3r s MET 31 Cb -0.13 0.52 0.05 0.00 -1.53 0.00 0.00 34.83 33.74 1z3r s MET 31 CO 0.25 -0.70 0.50 -2.00 -2.03 0.00 0.00 175.02 171.03 1z3r s GLU 32 N -3.97 0.79 0.11 3.16 2.12 0.40 -2.17 118.70 119.13 1z3r s GLU 32 Ca 0.17 0.20 0.02 0.00 0.36 0.00 0.00 54.97 55.73 1z3r s GLU 32 Cb -0.03 0.37 -0.04 0.00 0.26 0.00 0.00 34.13 34.69 1z3r s GLU 32 CO 0.07 -0.21 -0.07 0.14 -0.54 0.00 0.00 175.26 174.65 1z3r s VAL 33 N -0.87 0.77 -0.08 3.70 -7.23 -0.40 -0.54 120.40 115.74 1z3r s VAL 33 Ca -0.09 -1.95 0.05 0.00 -1.81 0.00 0.00 61.98 58.18 1z3r s VAL 33 Cb -0.03 -1.70 -0.00 0.00 0.56 0.00 0.00 36.38 35.21 1z3r s VAL 33 CO 0.05 -0.85 -0.23 0.00 -0.31 0.00 0.00 175.10 173.76 1z3r s ALA 34 N -3.55 2.07 -0.06 1.32 0.00 -0.00 -4.32 121.76 117.22 1z3r s ALA 34 Ca 0.12 -0.94 0.04 0.00 0.00 0.00 0.00 51.96 51.18 1z3r s ALA 34 Cb 0.05 -0.74 -0.00 0.00 0.00 0.00 0.00 23.12 22.43 1z3r s ALA 34 CO -0.04 0.31 -0.19 0.12 0.00 0.00 0.00 175.76 175.97 1z3r s PHE 35 N 0.20 1.93 -2.80 0.00 5.36 -1.26 -0.62 117.98 120.78 1z3r s PHE 35 Ca -0.13 -0.64 0.25 0.00 -0.96 0.00 0.00 56.93 55.45 1z3r s PHE 35 Cb -0.16 -1.31 0.49 0.00 -0.34 0.00 0.00 43.02 41.70 1z3r s PHE 35 CO 0.07 -0.24 1.43 0.43 -1.46 0.00 0.00 175.22 175.44 1z3r n SER 36 N 3.32 2.51 -0.10 6.13 7.64 0.17 -4.94 113.62 128.36 1z3r n SER 36 Ca -0.19 -1.83 0.00 0.00 1.01 0.00 0.00 58.87 57.86 1z3r n SER 36 Cb 0.53 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 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 1.30 3.92 3.57 0.23 0.00 -1.26 -5.05 105.19 107.89 1z3r n GLY 37 Ca 0.16 -2.04 -0.50 0.00 0.00 0.00 0.00 46.02 43.63 1z3r n GLY 37 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1z3r n THR 38 N -0.03 0.62 -4.35 2.61 -1.04 -1.26 -5.03 114.28 105.79 1z3r n THR 38 Ca 0.00 -0.15 -0.34 0.00 -2.04 0.00 0.00 64.05 61.52 1z3r n THR 38 Cb 0.00 -0.74 -0.12 0.00 -1.82 0.00 0.00 70.33 67.65 1z3r n THR 38 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1z3r s LYS 39 N -0.13 3.68 0.72 -2.82 -0.14 -1.26 -3.82 119.74 115.97 1z3r s LYS 39 Ca 0.77 -0.51 -0.10 0.00 -1.36 0.00 0.00 55.97 54.77 1z3r s LYS 39 Cb -0.91 -2.94 0.05 0.00 -1.68 0.00 0.00 37.83 32.34 1z3r s LYS 39 CO 0.51 0.22 1.08 -1.25 -0.76 0.00 0.00 175.35 175.15 1z3r s PRO 40 N 0.42 2.39 0.13 -1.68 0.04 -1.26 -5.03 135.00 130.01 1z3r s PRO 40 Ca -0.03 0.09 -0.17 0.00 0.04 0.00 0.00 61.00 60.92 1z3r s PRO 40 Cb -0.14 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.37 1z3r s PRO 40 CO 0.03 -1.23 0.43 0.00 0.04 0.00 0.00 177.00 176.27 1z3r s ARG 42 N -3.80 4.35 -0.22 0.00 3.52 0.97 -0.43 118.95 123.33 1z3r s ARG 42 Ca 0.03 0.78 -0.29 0.00 -0.13 0.00 0.00 55.73 56.12 1z3r s ARG 42 Cb 0.01 -3.35 -0.01 0.00 -1.56 0.00 0.00 34.95 30.04 1z3r s ARG 42 CO -0.12 0.33 1.27 0.42 -0.81 0.00 0.00 175.30 176.39 1z3r s ILE 43 N -0.09 4.24 -1.11 4.11 1.01 0.05 -0.99 121.20 128.42 1z3r s ILE 43 Ca 0.32 1.47 -0.22 0.00 0.00 0.00 0.00 60.65 62.22 1z3r s ILE 43 Cb -0.18 -4.08 -0.01 0.00 0.01 0.00 0.00 42.46 38.20 1z3r s ILE 43 CO 0.18 -0.28 1.79 -2.16 0.00 0.00 0.00 174.94 174.47 1z3r s PRO 44 N 3.76 3.11 -0.02 2.79 0.04 -1.26 -4.83 135.00 138.59 1z3r s PRO 44 Ca 0.55 -1.16 0.08 0.00 0.04 0.00 0.00 61.00 60.50 1z3r s PRO 44 Cb -0.19 -5.30 -0.02 0.00 0.04 0.00 0.00 34.50 29.03 1z3r s PRO 44 CO 0.18 -3.04 -0.26 0.08 0.04 0.00 0.00 177.00 174.00 1z3r s VAL 45 N 7.84 2.09 0.11 -0.36 1.01 -1.26 -0.93 120.40 128.89 1z3r s VAL 45 Ca 0.61 -1.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.24 1z3r s VAL 45 Cb -0.01 -1.72 0.08 0.00 0.00 0.00 0.00 36.38 34.73 1z3r s VAL 45 CO 0.04 0.58 0.73 0.00 0.00 0.00 0.00 175.10 176.44 1z3r s ARG 46 N -0.59 1.15 -0.03 2.72 1.70 -1.14 -5.05 118.95 117.71 1z3r s ARG 46 Ca 0.09 -0.46 0.03 0.00 -0.47 0.00 0.00 55.73 54.93 1z3r s ARG 46 Cb -0.10 0.51 -0.00 0.00 -0.57 0.00 0.00 34.95 34.79 1z3r s ARG 46 CO -0.01 -0.51 -0.12 0.00 -1.08 0.00 0.00 175.30 173.58 1z3r s ALA 47 N -3.52 1.14 -0.16 7.88 0.00 -1.26 -0.55 121.76 125.28 1z3r s ALA 47 Ca 0.04 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.52 1z3r s ALA 47 Cb -0.01 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.74 1z3r s ALA 47 CO -0.10 0.20 -0.17 0.14 0.00 0.00 0.00 175.76 175.84 1z3r s VAL 48 N 0.11 1.78 0.55 0.00 -7.23 -0.05 -0.11 120.40 115.44 1z3r s VAL 48 Ca -0.03 -0.76 -0.18 0.00 -1.81 0.00 0.00 61.98 59.20 1z3r s VAL 48 Cb -0.10 -1.64 -0.06 0.00 0.56 0.00 0.00 36.38 35.15 1z3r s VAL 48 CO 0.01 0.49 1.08 0.00 -0.31 0.00 0.00 175.10 176.37 1z3r s ALA 49 N 1.40 2.74 -0.77 1.32 0.00 -1.26 -0.52 121.76 124.67 1z3r s ALA 49 Ca 0.05 0.60 -0.27 0.00 0.00 0.00 0.00 51.96 52.34 1z3r s ALA 49 Cb -0.13 -3.28 -0.16 0.00 0.00 0.00 0.00 23.12 19.55 1z3r s ALA 49 CO -0.12 -0.67 2.52 1.58 0.00 0.00 0.00 175.76 179.07 1z3r n HIS 50 N -1.50 0.92 0.00 0.00 -0.00 -0.43 -1.90 115.22 112.31 1z3r n HIS 50 Ca 0.10 0.21 0.00 0.00 0.46 0.00 0.00 57.72 58.49 1z3r n HIS 50 Cb 0.52 -2.35 0.00 0.00 -0.12 0.00 0.00 29.99 28.04 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 6.24 1.58 2.42 1.57 0.00 -1.26 -5.08 105.19 110.67 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 -1.00 1.21 -0.68 4.61 0.00 -0.80 -4.98 121.76 120.13 1z3r s ALA 52 Ca 0.00 -2.22 0.16 0.00 0.00 0.00 0.00 51.96 49.89 1z3r s ALA 52 Cb 0.00 -1.60 0.72 0.00 0.00 0.00 0.00 23.12 22.24 1z3r s ALA 52 CO 0.00 -2.02 1.48 -0.35 0.00 0.00 0.00 175.76 174.87 1z3r n PRO 53 N 3.30 0.09 0.24 0.00 -0.04 -1.26 -2.08 135.00 135.25 1z3r n PRO 53 Ca 0.23 0.44 0.14 0.00 -0.04 0.00 0.00 63.50 64.26 1z3r n PRO 53 Cb 0.44 -1.71 0.44 0.00 -0.04 0.00 0.00 33.50 32.63 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 -3.78 3.54 3.32 -1.95 -3.45 116.42 114.10 1z3r h ASP 54 Ca 0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 1z3r h ASP 54 Cb 0.18 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 39.40 1z3r h ASP 54 CO 0.00 0.07 -0.71 -0.69 -1.72 0.00 0.00 179.24 176.19 1z3r s VAL 55 N -3.48 2.88 0.11 -1.35 1.01 -0.88 -5.09 120.40 113.60 1z3r s VAL 55 Ca 0.03 -1.45 -0.31 0.00 0.00 0.00 0.00 61.98 60.25 1z3r s VAL 55 Cb 0.08 -2.67 -0.08 0.00 0.00 0.00 0.00 36.38 33.70 1z3r s VAL 55 CO 0.61 -0.12 1.48 -0.62 0.00 0.00 0.00 175.10 176.45 1z3r s ASP 56 N 1.24 6.73 0.00 3.32 2.15 -1.26 -4.16 116.67 124.70 1z3r s ASP 56 Ca -0.05 2.41 0.11 0.00 0.43 0.00 0.00 52.55 55.45 1z3r s ASP 56 Cb -0.20 -2.58 0.11 0.00 -0.30 0.00 0.00 42.92 39.94 1z3r s ASP 56 CO -0.02 -0.74 0.88 1.33 -0.17 0.00 0.00 175.17 176.46 1z3r n VAL 57 N 4.14 0.08 -2.08 1.11 0.24 0.85 -4.94 118.33 117.72 1z3r n VAL 57 Ca 0.13 -0.54 -0.43 0.00 -2.04 0.00 0.00 64.34 61.46 1z3r n VAL 57 Cb 0.41 1.17 -0.03 0.00 -1.47 0.00 0.00 33.84 33.93 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 -0.93 3.17 -0.59 2.33 0.00 -1.26 -4.48 121.76 120.00 1z3r s ALA 58 Ca 0.14 0.42 -0.17 0.00 0.00 0.00 0.00 51.96 52.35 1z3r s ALA 58 Cb 0.10 -3.89 0.13 0.00 0.00 0.00 0.00 23.12 19.45 1z3r s ALA 58 CO 0.14 -2.12 0.59 -1.64 0.00 0.00 0.00 175.76 172.73 1z3r s MET 59 N 4.92 3.07 0.05 0.00 -1.94 -0.23 -4.91 119.30 120.25 1z3r s MET 59 Ca 0.74 -1.67 -0.31 0.00 -1.71 0.00 0.00 55.69 52.74 1z3r s MET 59 Cb -0.24 -4.31 -0.10 0.00 2.01 0.00 0.00 34.83 32.19 1z3r s MET 59 CO 0.31 -1.39 1.94 1.28 -0.01 0.00 0.00 175.02 177.15 1z3r n LEU 60 N 5.46 4.10 -0.03 -0.03 4.77 -1.26 -0.26 117.00 129.75 1z3r n LEU 60 Ca -0.10 0.92 -0.09 0.00 -0.03 0.00 0.00 56.01 56.72 1z3r n LEU 60 Cb 0.41 -1.52 -0.14 0.00 -2.33 0.00 0.00 43.42 39.84 1z3r n LEU 60 CO 0.53 0.18 -0.60 -0.38 -1.33 0.00 0.00 177.39 175.80 1z3r n ILE 61 N 5.36 1.59 -2.95 -0.08 2.08 0.76 -4.88 119.36 121.23 1z3r n ILE 61 Ca 0.20 -0.80 -0.22 0.00 0.56 0.00 0.00 62.75 62.48 1z3r n ILE 61 Cb 0.39 -0.98 0.01 0.00 -0.75 0.00 0.00 39.64 38.32 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 -2.59 3.76 1.22 1.39 -1.32 -0.75 -4.98 115.64 112.38 1z3r s THR 62 Ca -0.05 -0.56 -0.15 0.00 -1.21 0.00 0.00 61.69 59.72 1z3r s THR 62 Cb 0.08 -3.39 0.28 0.00 -1.51 0.00 0.00 72.50 67.96 1z3r s THR 62 CO 0.83 -0.26 0.80 -2.65 -2.21 0.00 0.00 174.62 171.12 1z3r n PRO 63 N -2.10 -2.74 -1.31 7.08 -0.02 -1.26 -4.80 135.00 129.85 1z3r n PRO 63 Ca 0.03 -0.78 -0.51 0.00 -2.02 0.00 0.00 63.50 60.21 1z3r n PRO 63 Cb 0.58 -2.03 -0.13 0.00 -0.02 0.00 0.00 33.50 31.90 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 -4.46 0.56 -4.74 2.55 5.15 -1.26 -4.87 115.26 108.18 1z3r n ASN 64 Ca 0.03 0.48 -0.41 0.00 -0.60 0.00 0.00 54.58 54.08 1z3r n ASN 64 Cb 0.56 -0.89 -0.04 0.00 -0.53 0.00 0.00 39.78 38.88 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 6.98 4.61 0.12 1.20 0.04 -1.26 -4.56 135.00 142.13 1z3r s PRO 65 Ca 1.23 1.68 0.05 0.00 0.04 0.00 0.00 61.00 64.00 1z3r s PRO 65 Cb -1.37 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 29.84 1z3r s PRO 65 CO 0.58 0.10 -0.13 0.95 0.04 0.00 0.00 177.00 178.54 1z3r s THR 66 N -0.23 1.26 -0.04 1.26 -4.23 -1.26 -0.77 115.64 111.63 1z3r s THR 66 Ca 0.49 -1.75 0.06 0.00 -1.18 0.00 0.00 61.69 59.31 1z3r s THR 66 Cb -0.29 -1.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.99 1z3r s THR 66 CO 0.34 -0.48 -0.23 -0.32 -0.54 0.00 0.00 174.62 173.39 1z3r s MET 67 N -2.82 2.41 0.26 3.99 1.75 0.43 -0.81 119.30 124.50 1z3r s MET 67 Ca 0.09 -0.87 0.01 0.00 -1.25 0.00 0.00 55.69 53.68 1z3r s MET 67 Cb -0.04 -2.18 -0.00 0.00 2.84 0.00 0.00 34.83 35.45 1z3r s MET 67 CO 0.02 0.49 0.31 0.39 -0.65 0.00 0.00 175.02 175.59 1z3r n GLU 68 N 2.66 0.45 -0.12 4.11 1.02 -1.24 -1.44 120.64 126.08 1z3r n GLU 68 Ca -0.17 -2.20 -0.14 0.00 -0.02 0.00 0.00 57.16 54.63 1z3r n GLU 68 Cb 0.52 2.01 -0.14 0.00 -0.02 0.00 0.00 31.44 33.81 1z3r n GLU 68 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1z3r n ASN 69 N -1.85 1.17 -1.68 1.62 0.23 -1.26 -4.64 115.26 108.85 1z3r n ASN 69 Ca 0.02 -0.08 -0.13 0.00 -0.53 0.00 0.00 54.58 53.87 1z3r n ASN 69 Cb 0.44 0.20 0.07 0.00 -2.08 0.00 0.00 39.78 38.40 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 -3.03 4.42 0.00 0.53 0.23 -1.26 -4.95 115.26 111.20 1z3r n ASN 70 Ca -0.40 -2.85 0.00 0.00 -0.53 0.00 0.00 54.58 50.80 1z3r n ASN 70 Cb 1.06 -0.80 0.00 0.00 -2.08 0.00 0.00 39.78 37.96 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 -0.03 0.30 0.00 4.83 0.00 -1.26 -0.17 105.19 108.85 1z3r n GLY 71 Ca 0.28 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 0.36 0.08 -0.02 0.00 -1.26 -3.70 105.19 100.65 1z3r n GLY 72 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.17 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 0.65 0.52 3.91 -0.02 0.00 0.01 -4.82 105.19 105.45 1z3r n GLY 73 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.15 3.52 -0.13 1.61 5.36 -1.26 -1.28 117.98 123.65 1z3r s PHE 74 Ca 0.00 0.33 -0.16 0.00 -0.96 0.00 0.00 56.93 56.13 1z3r s PHE 74 Cb 0.00 -1.82 0.04 0.00 -0.34 0.00 0.00 43.02 40.91 1z3r s PHE 74 CO 0.00 0.58 0.44 0.42 -1.46 0.00 0.00 175.22 175.20 1z3r s ILE 75 N -1.49 0.01 -0.03 3.12 1.01 -0.92 -4.66 121.20 118.24 1z3r s ILE 75 Ca 0.34 -0.08 0.02 0.00 0.00 0.00 0.00 60.65 60.92 1z3r s ILE 75 Cb -0.13 -0.64 0.01 0.00 0.01 0.00 0.00 42.46 41.71 1z3r s ILE 75 CO 0.25 -0.05 -0.06 -0.70 0.00 0.00 0.00 174.94 174.39 1z3r s GLU 76 N -0.13 0.74 0.12 2.79 2.12 -1.26 -2.12 118.70 120.96 1z3r s GLU 76 Ca -0.03 -0.17 -0.03 0.00 0.36 0.00 0.00 54.97 55.09 1z3r s GLU 76 Cb -0.03 -0.73 -0.03 0.00 0.26 0.00 0.00 34.13 33.59 1z3r s GLU 76 CO 0.02 0.02 0.09 0.00 -0.54 0.00 0.00 175.26 174.86 1z3r s MET 77 N 0.45 0.92 0.12 4.30 0.23 0.06 -0.17 119.30 125.21 1z3r s MET 77 Ca -0.06 -1.33 0.09 0.00 -1.03 0.00 0.00 55.69 53.37 1z3r s MET 77 Cb -0.10 0.27 -0.04 0.00 -1.53 0.00 0.00 34.83 33.43 1z3r s MET 77 CO 0.00 -0.27 -0.23 -1.14 -2.03 0.00 0.00 175.02 171.35 1z3r s GLN 78 N -4.00 1.26 0.09 3.16 0.74 0.65 0.11 119.66 121.66 1z3r s GLN 78 Ca 0.19 -1.27 -0.11 0.00 0.05 0.00 0.00 55.36 54.21 1z3r s GLN 78 Cb 0.07 -1.58 0.01 0.00 1.10 0.00 0.00 33.01 32.60 1z3r s GLN 78 CO -0.01 0.36 0.26 -0.51 -0.55 0.00 0.00 175.29 174.84 1z3r s LEU 79 N -2.09 1.08 -0.00 3.68 1.02 -1.26 -1.07 118.68 120.03 1z3r s LEU 79 Ca 0.11 -0.48 -0.30 0.00 0.02 0.00 0.00 54.13 53.47 1z3r s LEU 79 Cb -0.09 1.29 -0.05 0.00 0.02 0.00 0.00 46.19 47.35 1z3r s LEU 79 CO 0.05 -0.74 1.29 -2.16 0.02 0.00 0.00 176.35 174.82 1z3r s PRO 80 N -3.59 4.34 0.31 1.29 0.04 -1.26 -5.00 135.00 131.13 1z3r s PRO 80 Ca 0.02 1.83 -0.27 0.00 0.04 0.00 0.00 61.00 62.62 1z3r s PRO 80 Cb 0.03 -3.51 -0.14 0.00 0.04 0.00 0.00 34.50 30.93 1z3r s PRO 80 CO -0.10 -0.46 1.00 -2.30 0.04 0.00 0.00 177.00 175.17 1z3r n PRO 81 N 4.97 1.34 0.00 0.56 -0.02 -1.26 -4.66 135.00 135.93 1z3r n PRO 81 Ca 0.11 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1z3r n PRO 81 Cb 0.45 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 1.22 0.28 3.33 -1.23 0.00 -0.62 -4.95 105.19 103.23 1z3r n GLY 82 Ca 0.09 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.08 1.61 2.15 -1.26 -0.07 116.67 119.82 1z3r s ASP 83 Ca 0.00 -0.55 0.02 0.00 0.43 0.00 0.00 52.55 52.45 1z3r s ASP 83 Cb 0.00 -1.82 0.01 0.00 -0.30 0.00 0.00 42.92 40.81 1z3r s ASP 83 CO 0.00 -0.11 -0.14 0.20 -0.17 0.00 0.00 175.17 174.95 1z3r s ASN 84 N 1.49 2.05 -0.46 -0.34 0.01 -0.61 -1.32 114.94 115.77 1z3r s ASN 84 Ca 0.04 -0.35 -0.19 0.00 -0.71 0.00 0.00 52.86 51.64 1z3r s ASN 84 Cb -0.16 -0.94 0.04 0.00 0.41 0.00 0.00 41.25 40.60 1z3r s ASN 84 CO 0.00 0.04 0.59 -0.63 -1.51 0.00 0.00 177.10 175.60 1z3r s ILE 85 N 0.69 4.90 -0.22 0.60 1.09 0.32 -0.26 121.20 128.32 1z3r s ILE 85 Ca -0.14 -0.24 -0.15 0.00 -1.10 0.00 0.00 60.65 59.03 1z3r s ILE 85 Cb -0.16 -4.21 -0.04 0.00 -1.06 0.00 0.00 42.46 36.99 1z3r s ILE 85 CO 0.04 -0.65 0.35 -0.63 -0.10 0.00 0.00 174.94 173.94 1z3r s ILE 86 N 2.60 5.23 0.01 2.92 1.01 0.38 -0.88 121.20 132.47 1z3r s ILE 86 Ca 0.17 0.58 0.01 0.00 0.00 0.00 0.00 60.65 61.42 1z3r s ILE 86 Cb -0.17 -3.68 -0.04 0.00 0.01 0.00 0.00 42.46 38.59 1z3r s ILE 86 CO 0.15 0.26 0.02 -0.31 0.00 0.00 0.00 174.94 175.05 1z3r s TYR 87 N 1.35 3.11 -0.44 3.97 2.02 0.28 -0.60 117.35 127.05 1z3r s TYR 87 Ca 0.16 0.10 0.02 0.00 -0.37 0.00 0.00 57.07 56.98 1z3r s TYR 87 Cb -0.15 -1.67 0.13 0.00 -0.40 0.00 0.00 41.96 39.87 1z3r s TYR 87 CO 0.07 0.48 0.23 0.08 -1.57 0.00 0.00 175.55 174.84 1z3r s VAL 88 N -1.13 1.56 0.00 0.71 1.01 0.22 -2.88 120.40 119.90 1z3r s VAL 88 Ca 0.21 -2.60 0.00 0.00 0.00 0.00 0.00 61.98 59.58 1z3r s VAL 88 Cb -0.12 -2.10 0.00 0.00 0.00 0.00 0.00 36.38 34.16 1z3r s VAL 88 CO 0.12 -0.86 0.00 0.61 0.00 0.00 0.00 175.10 174.96 1z3r n GLY 89 N 3.56 1.55 0.00 4.51 0.00 -0.11 -3.53 105.19 111.18 1z3r n GLY 89 Ca 0.07 -0.64 0.07 0.00 0.00 0.00 0.00 46.02 45.53 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 10.27 1.53 -1.70 1.61 4.07 0.17 -4.94 120.64 131.66 1z3r n GLU 90 Ca 0.00 -0.06 -0.44 0.00 -0.06 0.00 0.00 57.16 56.60 1z3r n GLU 90 Cb 0.00 -1.23 -0.03 0.00 -0.06 0.00 0.00 31.44 30.12 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 -1.64 3.56 -4.32 4.31 7.94 -1.23 -5.01 117.00 120.62 1z3r n LEU 91 Ca 0.00 1.09 -0.17 0.00 -1.11 0.00 0.00 56.01 55.82 1z3r n LEU 91 Cb 0.28 -1.50 -0.10 0.00 0.53 0.00 0.00 43.42 42.64 1z3r n LEU 91 CO 0.28 -0.11 -0.24 -1.59 -1.11 0.00 0.00 177.39 174.63 1z3r s LYS 92 N 0.59 1.46 -0.20 1.96 -2.85 -1.26 -0.61 119.74 118.83 1z3r s LYS 92 Ca 0.74 -1.80 -0.16 0.00 -1.00 0.00 0.00 55.97 53.75 1z3r s LYS 92 Cb -0.59 -0.21 0.05 0.00 -2.06 0.00 0.00 37.83 35.02 1z3r s LYS 92 CO 0.39 -0.34 0.51 -1.58 0.10 0.00 0.00 175.35 174.43 1z3r s HIS 93 N -3.72 -0.62 -0.11 1.78 2.46 0.24 -4.97 115.29 110.35 1z3r s HIS 93 Ca 0.37 1.42 -0.30 0.00 0.47 0.00 0.00 55.06 57.03 1z3r s HIS 93 Cb 0.07 0.25 -0.03 0.00 -0.13 0.00 0.00 32.58 32.74 1z3r s HIS 93 CO 0.15 -0.31 1.40 -1.14 -2.47 0.00 0.00 174.74 172.36 1z3r s GLN 94 N 0.65 4.23 -0.33 2.88 0.74 -1.26 -0.47 119.66 126.10 1z3r s GLN 94 Ca -0.03 1.87 -0.02 0.00 0.05 0.00 0.00 55.36 57.22 1z3r s GLN 94 Cb -0.05 -3.80 0.06 0.00 1.10 0.00 0.00 33.01 30.32 1z3r s GLN 94 CO -0.04 -0.72 0.05 -0.46 -0.55 0.00 0.00 175.29 173.57 1z3r s TRP 95 N 3.48 3.35 -0.68 1.67 -0.11 0.64 -4.96 118.94 122.33 1z3r s TRP 95 Ca 0.62 -2.00 -0.26 0.00 1.22 0.00 0.00 56.10 55.67 1z3r s TRP 95 Cb -0.27 -2.39 -0.01 0.00 -1.50 0.00 0.00 33.47 29.30 1z3r s TRP 95 CO 0.21 -0.84 1.75 -0.06 -4.62 0.00 0.00 176.95 173.39 1z3r s PHE 96 N 1.22 1.81 -0.08 5.86 0.08 -1.26 -1.57 117.98 124.05 1z3r s PHE 96 Ca -0.02 0.57 -0.25 0.00 0.12 0.00 0.00 56.93 57.36 1z3r s PHE 96 Cb -0.20 -4.20 -0.03 0.00 -0.57 0.00 0.00 43.02 38.02 1z3r s PHE 96 CO -0.02 -2.20 0.78 -1.14 -0.10 0.00 0.00 175.22 172.54 1z3r s GLN 97 N 6.75 4.43 -0.04 0.44 -0.44 0.90 -4.93 119.66 126.77 1z3r s GLN 97 Ca 0.61 1.00 0.05 0.00 -2.50 0.00 0.00 55.36 54.52 1z3r s GLN 97 Cb -0.11 -3.48 -0.02 0.00 -1.64 0.00 0.00 33.01 27.76 1z3r s GLN 97 CO 0.17 -0.04 -0.17 -1.59 0.50 0.00 0.00 175.29 174.15 1z3r s LYS 98 N 1.12 2.42 0.00 1.67 0.00 -1.26 -1.58 119.74 122.11 1z3r s LYS 98 Ca 0.40 -0.75 0.00 0.00 0.00 0.00 0.00 55.97 55.62 1z3r s LYS 98 Cb -0.18 -2.30 0.00 0.00 0.00 0.00 0.00 37.83 35.35 1z3r s LYS 98 CO 0.19 0.60 0.00 0.41 0.00 0.00 0.00 175.35 176.55