#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 0.30 -3.60 4.38 3.41 -1.26 -4.99 113.62 111.86 1z3r n SER 2 Ca 0.00 -1.63 -0.29 0.00 -0.26 0.00 0.00 58.87 56.69 1z3r n SER 2 Cb 0.00 0.41 -0.12 0.00 -0.26 0.00 0.00 64.21 64.24 1z3r n SER 2 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1z3r s LYS 3 N -2.42 1.05 -1.04 4.33 -0.14 -1.26 -4.78 119.74 115.48 1z3r s LYS 3 Ca 0.09 -1.85 -0.25 0.00 -1.36 0.00 0.00 55.97 52.61 1z3r s LYS 3 Cb 0.00 -1.93 -0.12 0.00 -1.68 0.00 0.00 37.83 34.10 1z3r s LYS 3 CO 0.07 -1.21 2.05 0.20 -0.76 0.00 0.00 175.35 175.70 1z3r s GLY 4 N 0.48 -0.29 0.39 -3.33 0.00 -1.26 -4.81 107.32 98.50 1z3r s GLY 4 Ca 0.20 -1.65 0.21 0.00 0.00 0.00 0.00 44.72 43.47 1z3r s GLY 4 CO -0.03 3.82 1.58 1.41 0.00 0.00 0.00 173.10 179.89 1z3r h LEU 5 N 19.60 0.00 0.00 0.66 3.38 -1.99 -2.70 115.31 134.27 1z3r h LEU 5 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1z3r h LEU 5 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1z3r h LEU 5 CO 1.14 0.00 -1.27 0.35 0.09 0.00 0.00 178.44 178.75 1z3r n THR 6 N -2.31 0.00 -1.82 0.22 -2.24 -1.26 -5.05 114.28 101.82 1z3r n THR 6 Ca -0.01 -0.26 -0.33 0.00 -2.27 0.00 0.00 64.05 61.18 1z3r n THR 6 Cb 0.21 0.53 0.04 0.00 -2.10 0.00 0.00 70.33 69.01 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 -2.80 2.76 0.73 4.78 2.02 -1.02 -5.05 117.35 118.78 1z3r s TYR 7 Ca -0.01 1.53 -0.12 0.00 -0.37 0.00 0.00 57.07 58.11 1z3r s TYR 7 Cb 0.11 -3.10 0.03 0.00 -0.40 0.00 0.00 41.96 38.60 1z3r s TYR 7 CO 0.64 -1.49 1.12 0.95 -1.57 0.00 0.00 175.55 175.20 1z3r s THR 8 N -2.44 3.15 0.29 -0.71 -4.23 -1.26 -4.35 115.64 106.10 1z3r s THR 8 Ca 0.65 0.37 -0.29 0.00 -1.18 0.00 0.00 61.69 61.24 1z3r s THR 8 Cb -0.19 -3.36 -0.10 0.00 1.34 0.00 0.00 72.50 70.20 1z3r s THR 8 CO 0.41 -0.49 1.26 -0.04 -0.54 0.00 0.00 174.62 175.23 1z3r s MET 9 N -5.40 4.43 0.84 3.99 -1.94 -1.26 -0.19 119.30 119.77 1z3r s MET 9 Ca 0.59 2.09 -0.10 0.00 -1.71 0.00 0.00 55.69 56.56 1z3r s MET 9 Cb -0.11 -3.12 0.10 0.00 2.01 0.00 0.00 34.83 33.71 1z3r s MET 9 CO 0.51 -0.11 1.12 0.00 -0.01 0.00 0.00 175.02 176.53 1z3r s ASP 11 N -3.03 6.00 0.00 0.00 -1.08 -1.26 -4.72 116.67 112.58 1z3r s ASP 11 Ca 0.64 2.22 0.00 0.00 -0.52 0.00 0.00 52.55 54.89 1z3r s ASP 11 Cb -0.20 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 1z3r s ASP 11 CO 0.57 -1.48 0.95 0.29 0.52 0.00 0.00 175.17 176.02 1z3r n LYS 12 N 8.09 0.00 0.00 4.34 5.02 -1.26 -2.52 118.16 131.83 1z3r n LYS 12 Ca 0.24 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.98 1z3r n LYS 12 Cb 0.43 -1.53 0.00 0.00 -0.02 0.00 0.00 35.03 33.91 1z3r n LYS 12 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1z3r n ALA 13 N -1.45 2.14 -0.40 7.82 0.00 -1.26 -0.56 120.51 126.80 1z3r n ALA 13 Ca 0.00 -0.27 0.10 0.00 0.00 0.00 0.00 53.44 53.27 1z3r n ALA 13 Cb 0.03 0.00 0.33 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.40 3.26 -2.77 0.00 4.76 -1.05 -4.97 118.16 116.99 1z3r n LYS 14 Ca 0.00 -2.66 -0.27 0.00 -2.87 0.00 0.00 58.31 52.52 1z3r n LYS 14 Cb 0.01 -1.76 -0.00 0.00 -1.84 0.00 0.00 35.03 31.44 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 -1.56 3.54 -0.00 2.13 0.08 -1.26 -0.72 117.98 120.19 1z3r s PHE 15 Ca 0.48 0.72 -0.00 0.00 0.12 0.00 0.00 56.93 58.25 1z3r s PHE 15 Cb 0.29 -2.24 0.00 0.00 -0.57 0.00 0.00 43.02 40.50 1z3r s PHE 15 CO 0.27 -0.22 0.01 0.95 -0.10 0.00 0.00 175.22 176.12 1z3r s THR 16 N -2.67 -0.00 -0.59 0.64 -4.23 0.43 -4.96 115.64 104.25 1z3r s THR 16 Ca 0.46 0.01 -0.27 0.00 -1.18 0.00 0.00 61.69 60.72 1z3r s THR 16 Cb -0.10 -0.02 -0.02 0.00 1.34 0.00 0.00 72.50 73.70 1z3r s THR 16 CO 0.43 0.00 1.83 0.26 -0.54 0.00 0.00 174.62 176.61 1z3r s TRP 17 N 0.06 1.70 0.20 3.99 0.23 -1.26 -1.26 118.94 122.59 1z3r s TRP 17 Ca -0.00 0.75 -0.02 0.00 -2.03 0.00 0.00 56.10 54.80 1z3r s TRP 17 Cb -0.01 -4.11 0.14 0.00 0.03 0.00 0.00 33.47 29.52 1z3r s TRP 17 CO -0.00 -2.34 1.52 -0.22 0.96 0.00 0.00 176.95 176.87 1z3r h LYS 18 N 14.63 0.50 -2.33 4.98 3.64 -1.18 -3.41 116.57 133.39 1z3r h LYS 18 Ca -0.27 -0.32 -0.30 0.00 -1.27 0.00 0.00 60.65 58.50 1z3r h LYS 18 Cb 1.16 0.04 -0.34 0.00 -0.41 0.00 0.00 32.23 32.67 1z3r h LYS 18 CO 1.21 0.92 -0.61 0.50 -2.27 0.00 0.00 179.45 179.20 1z3r s ARG 19 N -3.97 0.25 0.64 1.90 3.52 0.32 -4.92 118.95 116.69 1z3r s ARG 19 Ca -0.07 0.15 -0.18 0.00 -0.13 0.00 0.00 55.73 55.51 1z3r s ARG 19 Cb 0.11 -0.95 -0.01 0.00 -1.56 0.00 0.00 34.95 32.54 1z3r s ARG 19 CO 0.83 -0.76 1.25 0.00 -0.81 0.00 0.00 175.30 175.81 1z3r s ALA 20 N 2.37 2.39 -0.33 6.12 0.00 -1.26 -0.37 121.76 130.68 1z3r s ALA 20 Ca 0.09 1.08 -0.40 0.00 0.00 0.00 0.00 51.96 52.73 1z3r s ALA 20 Cb -0.15 -3.50 -0.15 0.00 0.00 0.00 0.00 23.12 19.31 1z3r s ALA 20 CO -0.19 -1.49 1.88 -2.30 0.00 0.00 0.00 175.76 173.66 1z3r n PRO 21 N -1.94 0.96 -4.14 0.00 -0.02 -1.26 -4.74 135.00 123.87 1z3r n PRO 21 Ca 0.15 0.33 -0.09 0.00 -2.02 0.00 0.00 63.50 61.86 1z3r n PRO 21 Cb 0.49 -2.09 -0.10 0.00 -0.02 0.00 0.00 33.50 31.78 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 4.58 0.39 0.61 3.45 -1.32 -0.35 -4.87 115.64 118.13 1z3r s THR 22 Ca 1.03 -1.89 -0.19 0.00 -1.21 0.00 0.00 61.69 59.44 1z3r s THR 22 Cb -1.09 -1.74 -0.03 0.00 -1.51 0.00 0.00 72.50 68.13 1z3r s THR 22 CO 0.63 -0.79 1.29 -0.62 -2.21 0.00 0.00 174.62 172.92 1z3r s ASP 23 N -3.01 4.91 0.00 8.08 2.15 -1.26 -0.44 116.67 127.10 1z3r s ASP 23 Ca 0.14 2.60 0.29 0.00 0.43 0.00 0.00 52.55 56.01 1z3r s ASP 23 Cb 0.07 -2.62 1.47 0.00 -0.30 0.00 0.00 42.92 41.54 1z3r s ASP 23 CO -0.04 -1.80 2.00 -1.54 -0.17 0.00 0.00 175.17 173.61 1z3r n SER 24 N -1.61 0.00 0.00 -0.34 3.41 0.20 -4.67 113.62 110.61 1z3r n SER 24 Ca 0.14 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 1z3r n SER 24 Cb 0.48 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 64.17 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 1.11 0.81 0.21 5.00 0.00 -1.26 -4.90 105.19 106.15 1z3r n GLY 25 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.19 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 -2.29 0.00 -0.93 1.61 8.25 -1.26 -5.00 115.22 115.60 1z3r n HIS 26 Ca 0.00 -0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.17 1z3r n HIS 26 Cb 0.00 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.05 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 -0.39 -3.08 -4.99 0.41 8.00 -1.26 -5.00 116.55 110.23 1z3r n ASP 27 Ca 0.04 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.35 1z3r n ASP 27 Cb 0.57 -1.69 0.01 0.00 -0.02 0.00 0.00 41.12 39.99 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 -1.85 3.48 -0.18 -3.53 -4.23 -1.26 -4.73 115.64 103.34 1z3r s THR 28 Ca 0.00 -0.92 0.01 0.00 -1.18 0.00 0.00 61.69 59.59 1z3r s THR 28 Cb 0.00 -3.21 0.04 0.00 1.34 0.00 0.00 72.50 70.67 1z3r s THR 28 CO 0.00 -0.09 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.19 1z3r s VAL 29 N -2.34 1.60 0.04 2.29 1.01 0.14 -0.63 120.40 122.51 1z3r s VAL 29 Ca 0.51 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1z3r s VAL 29 Cb -0.10 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1z3r s VAL 29 CO 0.33 0.25 0.00 0.68 0.00 0.00 0.00 175.10 176.37 1z3r s VAL 30 N 1.43 4.12 0.20 2.92 -7.23 0.42 -0.92 120.40 121.34 1z3r s VAL 30 Ca 0.01 -0.76 -0.14 0.00 -1.81 0.00 0.00 61.98 59.28 1z3r s VAL 30 Cb -0.15 -2.89 0.01 0.00 0.56 0.00 0.00 36.38 33.91 1z3r s VAL 30 CO -0.09 0.27 0.45 0.00 -0.31 0.00 0.00 175.10 175.42 1z3r s MET 31 N -1.88 1.36 -0.08 4.82 0.23 -0.98 -1.21 119.30 121.56 1z3r s MET 31 Ca 0.22 -1.03 -0.16 0.00 -1.03 0.00 0.00 55.69 53.69 1z3r s MET 31 Cb -0.12 0.47 0.04 0.00 -1.53 0.00 0.00 34.83 33.69 1z3r s MET 31 CO 0.14 -0.56 0.40 -2.00 -2.03 0.00 0.00 175.02 170.97 1z3r s GLU 32 N -3.93 0.63 0.08 3.16 2.12 0.50 -2.03 118.70 119.23 1z3r s GLU 32 Ca 0.14 0.20 0.01 0.00 0.36 0.00 0.00 54.97 55.68 1z3r s GLU 32 Cb 0.00 0.29 -0.04 0.00 0.26 0.00 0.00 34.13 34.64 1z3r s GLU 32 CO 0.01 -0.14 -0.05 0.14 -0.54 0.00 0.00 175.26 174.67 1z3r s VAL 33 N -0.63 0.49 -0.00 3.70 -7.23 0.27 -0.52 120.40 116.48 1z3r s VAL 33 Ca -0.07 -1.85 0.06 0.00 -1.81 0.00 0.00 61.98 58.31 1z3r s VAL 33 Cb -0.04 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.32 1z3r s VAL 33 CO 0.03 -0.91 -0.18 0.00 -0.31 0.00 0.00 175.10 173.73 1z3r s ALA 34 N -3.66 1.54 -0.12 1.32 0.00 -0.39 -4.57 121.76 115.87 1z3r s ALA 34 Ca 0.09 -0.84 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 1z3r s ALA 34 Cb 0.06 -0.37 0.04 0.00 0.00 0.00 0.00 23.12 22.86 1z3r s ALA 34 CO -0.07 0.37 0.04 0.12 0.00 0.00 0.00 175.76 176.22 1z3r s PHE 35 N -0.52 0.52 -1.74 0.00 5.36 -1.26 -0.43 117.98 119.91 1z3r s PHE 35 Ca 0.07 -0.29 0.31 0.00 -0.96 0.00 0.00 56.93 56.05 1z3r s PHE 35 Cb -0.07 -0.77 1.65 0.00 -0.34 0.00 0.00 43.02 43.49 1z3r s PHE 35 CO -0.00 -0.42 2.11 0.43 -1.46 0.00 0.00 175.22 175.87 1z3r n SER 36 N 5.19 0.10 -1.36 6.13 7.64 0.10 -4.84 113.62 126.58 1z3r n SER 36 Ca -0.07 -0.62 0.00 0.00 1.01 0.00 0.00 58.87 59.20 1z3r n SER 36 Cb 0.49 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 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 1.15 1.35 3.33 0.23 0.00 -1.26 -5.08 105.19 104.91 1z3r n GLY 37 Ca 0.19 -1.64 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 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 -3.83 2.61 -2.24 -1.26 -5.09 114.28 104.47 1z3r n THR 38 Ca 0.00 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.39 1z3r n THR 38 Cb 0.00 -0.56 -0.16 0.00 -2.10 0.00 0.00 70.33 67.52 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 -3.42 0.04 0.89 -0.78 -0.14 -1.26 -4.58 119.74 110.48 1z3r s LYS 39 Ca 0.55 0.12 -0.13 0.00 -1.36 0.00 0.00 55.97 55.15 1z3r s LYS 39 Cb -0.17 -0.24 0.13 0.00 -1.68 0.00 0.00 37.83 35.86 1z3r s LYS 39 CO 0.68 -0.12 1.17 -1.25 -0.76 0.00 0.00 175.35 175.06 1z3r s PRO 40 N 0.82 1.34 0.17 -1.68 0.04 -1.26 -4.89 135.00 129.54 1z3r s PRO 40 Ca -0.07 0.16 -0.22 0.00 0.04 0.00 0.00 61.00 60.90 1z3r s PRO 40 Cb -0.10 -1.87 0.06 0.00 0.04 0.00 0.00 34.50 32.63 1z3r s PRO 40 CO -0.02 -2.03 0.60 0.00 0.04 0.00 0.00 177.00 175.59 1z3r s ARG 42 N -3.77 4.45 -0.12 0.00 3.52 0.74 -0.63 118.95 123.13 1z3r s ARG 42 Ca 0.02 1.11 -0.29 0.00 -0.13 0.00 0.00 55.73 56.44 1z3r s ARG 42 Cb -0.01 -3.48 -0.04 0.00 -1.56 0.00 0.00 34.95 29.86 1z3r s ARG 42 CO -0.10 -0.07 1.52 0.42 -0.81 0.00 0.00 175.30 176.26 1z3r s ILE 43 N 1.20 3.82 -1.02 4.11 1.01 -0.09 -0.62 121.20 129.62 1z3r s ILE 43 Ca 0.43 0.99 -0.20 0.00 0.00 0.00 0.00 60.65 61.86 1z3r s ILE 43 Cb -0.19 -3.68 -0.09 0.00 0.01 0.00 0.00 42.46 38.52 1z3r s ILE 43 CO 0.20 -0.13 1.97 -0.81 0.00 0.00 0.00 174.94 176.17 1z3r n PRO 44 N 7.07 1.92 -3.66 2.79 -0.04 -1.26 -4.79 135.00 137.03 1z3r n PRO 44 Ca 0.16 -2.22 -0.35 0.00 -0.04 0.00 0.00 63.50 61.06 1z3r n PRO 44 Cb 0.44 -3.18 -0.05 0.00 -0.04 0.00 0.00 33.50 30.66 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 5.65 5.20 -0.06 0.52 0.11 -1.26 -0.95 120.40 129.61 1z3r s VAL 45 Ca 0.57 0.35 -0.29 0.00 -2.93 0.00 0.00 61.98 59.68 1z3r s VAL 45 Cb 0.11 -3.61 0.11 0.00 -1.53 0.00 0.00 36.38 31.46 1z3r s VAL 45 CO 0.08 0.37 0.89 0.00 -3.33 0.00 0.00 175.10 173.11 1z3r s ARG 46 N -1.72 0.78 -0.18 1.54 1.70 -1.02 -5.02 118.95 115.03 1z3r s ARG 46 Ca 0.29 -0.09 0.01 0.00 -0.47 0.00 0.00 55.73 55.47 1z3r s ARG 46 Cb -0.14 0.36 0.03 0.00 -0.57 0.00 0.00 34.95 34.63 1z3r s ARG 46 CO 0.16 -0.30 -0.15 0.00 -1.08 0.00 0.00 175.30 173.93 1z3r s ALA 47 N -2.22 2.12 -0.24 7.88 0.00 -1.26 -0.40 121.76 127.64 1z3r s ALA 47 Ca 0.01 -1.15 -0.04 0.00 0.00 0.00 0.00 51.96 50.78 1z3r s ALA 47 Cb -0.01 -1.19 0.00 0.00 0.00 0.00 0.00 23.12 21.92 1z3r s ALA 47 CO -0.03 -0.53 -0.04 0.14 0.00 0.00 0.00 175.76 175.30 1z3r s VAL 48 N 1.36 3.28 0.45 0.00 -7.23 0.23 -0.04 120.40 118.45 1z3r s VAL 48 Ca 0.03 -0.67 -0.25 0.00 -1.81 0.00 0.00 61.98 59.27 1z3r s VAL 48 Cb -0.14 -2.56 -0.08 0.00 0.56 0.00 0.00 36.38 34.15 1z3r s VAL 48 CO -0.11 0.32 1.44 0.00 -0.31 0.00 0.00 175.10 176.45 1z3r s ALA 49 N 1.44 3.26 -0.75 1.32 0.00 -1.25 -0.32 121.76 125.46 1z3r s ALA 49 Ca 0.04 1.50 -0.29 0.00 0.00 0.00 0.00 51.96 53.20 1z3r s ALA 49 Cb -0.15 -3.60 -0.15 0.00 0.00 0.00 0.00 23.12 19.21 1z3r s ALA 49 CO -0.03 -1.22 2.55 1.58 0.00 0.00 0.00 175.76 178.64 1z3r n HIS 50 N -0.18 0.98 0.00 0.00 -0.00 -0.41 -1.39 115.22 114.21 1z3r n HIS 50 Ca 0.05 0.27 0.00 0.00 0.46 0.00 0.00 57.72 58.50 1z3r n HIS 50 Cb 0.41 -2.49 0.00 0.00 -0.12 0.00 0.00 29.99 27.79 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 6.32 1.60 2.51 1.57 0.00 -1.26 -5.07 105.19 110.86 1z3r n GLY 51 Ca 0.53 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 3.13 0.30 4.61 0.00 -0.49 -4.98 120.51 123.09 1z3r n ALA 52 Ca 0.00 -3.84 0.08 0.00 0.00 0.00 0.00 53.44 49.69 1z3r n ALA 52 Cb 0.00 -0.87 0.38 0.00 0.00 0.00 0.00 19.45 18.96 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 2.02 0.10 0.13 0.00 -0.04 -1.26 -1.47 135.00 134.48 1z3r n PRO 53 Ca 0.25 0.44 0.13 0.00 -0.04 0.00 0.00 63.50 64.28 1z3r n PRO 53 Cb 0.44 -1.73 0.32 0.00 -0.04 0.00 0.00 33.50 32.49 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 -3.65 3.54 5.19 -1.95 -3.46 116.42 116.08 1z3r h ASP 54 Ca 0.00 -0.02 -0.69 0.00 -0.62 0.00 0.00 57.03 55.70 1z3r h ASP 54 Cb 0.19 0.00 -0.33 0.00 0.18 0.00 0.00 39.33 39.37 1z3r h ASP 54 CO 0.00 0.01 -0.64 -0.69 -3.12 0.00 0.00 179.24 174.80 1z3r s VAL 55 N -3.14 3.16 -0.07 -1.35 1.01 -0.54 -5.08 120.40 114.39 1z3r s VAL 55 Ca 0.09 -1.64 -0.30 0.00 0.00 0.00 0.00 61.98 60.13 1z3r s VAL 55 Cb 0.11 -2.96 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1z3r s VAL 55 CO 0.63 -0.35 1.23 -0.62 0.00 0.00 0.00 175.10 175.99 1z3r s ASP 56 N 1.47 7.02 0.00 3.32 2.15 -1.26 -3.81 116.67 125.55 1z3r s ASP 56 Ca 0.01 1.81 0.16 0.00 0.43 0.00 0.00 52.55 54.96 1z3r s ASP 56 Cb -0.21 -2.55 0.26 0.00 -0.30 0.00 0.00 42.92 40.12 1z3r s ASP 56 CO -0.02 -0.63 1.16 1.33 -0.17 0.00 0.00 175.17 176.85 1z3r n VAL 57 N 4.76 0.40 -1.85 1.11 0.24 0.94 -4.95 118.33 118.98 1z3r n VAL 57 Ca 0.12 -0.70 -0.42 0.00 -2.04 0.00 0.00 64.34 61.29 1z3r n VAL 57 Cb 0.46 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.81 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 -1.22 3.51 -0.62 2.33 0.00 -1.24 -4.56 121.76 119.96 1z3r s ALA 58 Ca 0.25 1.05 -0.12 0.00 0.00 0.00 0.00 51.96 53.14 1z3r s ALA 58 Cb 0.15 -3.82 0.16 0.00 0.00 0.00 0.00 23.12 19.61 1z3r s ALA 58 CO 0.22 -1.61 0.54 -1.64 0.00 0.00 0.00 175.76 173.26 1z3r s MET 59 N 4.42 3.00 0.10 0.00 -1.94 0.11 -4.93 119.30 120.07 1z3r s MET 59 Ca 0.81 -2.05 -0.31 0.00 -1.71 0.00 0.00 55.69 52.43 1z3r s MET 59 Cb -0.36 -4.18 -0.09 0.00 2.01 0.00 0.00 34.83 32.20 1z3r s MET 59 CO 0.35 -1.27 1.63 -0.51 -0.01 0.00 0.00 175.02 175.21 1z3r s LEU 60 N 0.91 4.37 -0.08 -0.03 1.43 -1.26 -0.25 118.68 123.78 1z3r s LEU 60 Ca 0.10 2.54 0.09 0.00 -1.03 0.00 0.00 54.13 55.82 1z3r s LEU 60 Cb -0.22 -3.57 -0.24 0.00 0.03 0.00 0.00 46.19 42.19 1z3r s LEU 60 CO -0.02 -0.87 0.54 -0.38 0.23 0.00 0.00 176.35 175.85 1z3r n ILE 61 N 4.46 1.63 -4.10 -0.59 2.08 0.44 -4.88 119.36 118.40 1z3r n ILE 61 Ca 0.15 -0.77 -0.22 0.00 0.56 0.00 0.00 62.75 62.47 1z3r n ILE 61 Cb 0.40 -1.15 -0.04 0.00 -0.75 0.00 0.00 39.64 38.09 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 -2.58 4.55 0.99 1.39 -1.32 -0.98 -5.01 115.64 112.68 1z3r s THR 62 Ca -0.09 -1.33 -0.12 0.00 -1.21 0.00 0.00 61.69 58.94 1z3r s THR 62 Cb 0.08 -3.45 0.14 0.00 -1.51 0.00 0.00 72.50 67.76 1z3r s THR 62 CO 0.81 -0.33 0.83 -2.65 -2.21 0.00 0.00 174.62 171.07 1z3r n PRO 63 N -1.13 -0.87 -0.82 7.08 -0.02 -1.26 -4.76 135.00 133.22 1z3r n PRO 63 Ca -0.08 -0.20 -0.32 0.00 -2.02 0.00 0.00 63.50 60.88 1z3r n PRO 63 Cb 0.57 -2.15 -0.08 0.00 -0.02 0.00 0.00 33.50 31.83 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 -3.38 0.35 -4.77 2.55 5.15 -1.26 -4.84 115.26 109.05 1z3r n ASN 64 Ca 0.08 0.30 -0.38 0.00 -0.60 0.00 0.00 54.58 53.98 1z3r n ASN 64 Cb 0.54 -0.56 -0.04 0.00 -0.53 0.00 0.00 39.78 39.19 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 4.38 4.34 0.07 1.20 0.04 -1.26 -4.73 135.00 139.04 1z3r s PRO 65 Ca 0.77 1.60 0.03 0.00 0.04 0.00 0.00 61.00 63.44 1z3r s PRO 65 Cb -0.86 -2.77 -0.03 0.00 0.04 0.00 0.00 34.50 30.88 1z3r s PRO 65 CO 0.36 -0.01 -0.09 0.95 0.04 0.00 0.00 177.00 178.25 1z3r s THR 66 N -1.49 0.76 -0.30 1.26 -4.23 -1.26 -0.91 115.64 109.47 1z3r s THR 66 Ca 0.53 -1.39 -0.05 0.00 -1.18 0.00 0.00 61.69 59.61 1z3r s THR 66 Cb -0.25 -1.03 0.03 0.00 1.34 0.00 0.00 72.50 72.59 1z3r s THR 66 CO 0.32 -0.47 0.04 -0.32 -0.54 0.00 0.00 174.62 173.65 1z3r s MET 67 N -2.24 2.73 0.39 3.99 1.75 0.20 -0.63 119.30 125.48 1z3r s MET 67 Ca -0.02 -1.08 0.08 0.00 -1.25 0.00 0.00 55.69 53.42 1z3r s MET 67 Cb -0.06 -3.29 -0.06 0.00 2.84 0.00 0.00 34.83 34.26 1z3r s MET 67 CO -0.00 -0.55 0.07 -1.21 -0.65 0.00 0.00 175.02 172.68 1z3r s GLU 68 N 1.38 2.09 0.05 4.11 2.02 -0.29 -0.80 118.70 127.25 1z3r s GLU 68 Ca -0.01 -1.89 0.26 0.00 0.02 0.00 0.00 54.97 53.35 1z3r s GLU 68 Cb -0.18 -1.86 1.05 0.00 0.10 0.00 0.00 34.13 33.24 1z3r s GLU 68 CO 0.01 -0.01 1.82 0.27 0.02 0.00 0.00 175.26 177.37 1z3r n ASN 69 N -1.05 0.16 -0.05 -0.19 0.23 -1.26 -3.90 115.26 109.20 1z3r n ASN 69 Ca -0.03 0.52 0.01 0.00 -0.53 0.00 0.00 54.58 54.55 1z3r n ASN 69 Cb 0.64 -0.56 0.02 0.00 -2.08 0.00 0.00 39.78 37.80 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 -1.66 1.23 0.00 0.53 0.23 -1.26 -5.08 115.26 109.26 1z3r n ASN 70 Ca 0.06 -1.82 0.00 0.00 -0.53 0.00 0.00 54.58 52.29 1z3r n ASN 70 Cb 0.32 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.95 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 -0.42 -1.19 0.00 4.83 0.00 -1.25 -0.13 105.19 107.04 1z3r n GLY 71 Ca 0.02 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.20 1.16 -0.02 0.00 -1.26 -1.14 105.19 102.73 1z3r n GLY 72 Ca 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.31 0.99 3.68 -0.02 0.00 0.19 -4.87 105.19 104.85 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 -2.53 2.96 -0.08 1.61 5.36 -1.26 -0.56 117.98 123.48 1z3r s PHE 74 Ca 0.00 -0.05 -0.14 0.00 -0.96 0.00 0.00 56.93 55.78 1z3r s PHE 74 Cb 0.00 -1.51 0.03 0.00 -0.34 0.00 0.00 43.02 41.20 1z3r s PHE 74 CO 0.00 0.48 0.35 0.42 -1.46 0.00 0.00 175.22 175.01 1z3r s ILE 75 N -1.34 0.03 -0.02 3.12 1.01 -0.86 -4.70 121.20 118.44 1z3r s ILE 75 Ca 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 60.65 60.68 1z3r s ILE 75 Cb -0.11 -0.57 0.01 0.00 0.01 0.00 0.00 42.46 41.80 1z3r s ILE 75 CO 0.18 -0.12 0.04 -0.70 0.00 0.00 0.00 174.94 174.34 1z3r s GLU 76 N -0.54 0.02 0.11 2.79 2.12 -1.26 -2.32 118.70 119.61 1z3r s GLU 76 Ca -0.07 0.12 -0.07 0.00 0.36 0.00 0.00 54.97 55.31 1z3r s GLU 76 Cb -0.04 -0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.26 1z3r s GLU 76 CO 0.02 -0.07 0.18 0.00 -0.54 0.00 0.00 175.26 174.86 1z3r s MET 77 N 0.46 0.92 0.22 4.30 0.23 -0.10 -0.42 119.30 124.91 1z3r s MET 77 Ca -0.04 -1.08 0.11 0.00 -1.03 0.00 0.00 55.69 53.66 1z3r s MET 77 Cb -0.05 0.33 -0.05 0.00 -1.53 0.00 0.00 34.83 33.53 1z3r s MET 77 CO -0.02 -0.30 -0.22 -1.14 -2.03 0.00 0.00 175.02 171.32 1z3r s GLN 78 N -3.91 1.56 0.07 3.16 0.74 0.66 0.26 119.66 122.19 1z3r s GLN 78 Ca 0.10 -1.61 -0.06 0.00 0.05 0.00 0.00 55.36 53.84 1z3r s GLN 78 Cb 0.05 -1.76 -0.02 0.00 1.10 0.00 0.00 33.01 32.38 1z3r s GLN 78 CO -0.07 0.36 0.11 -0.51 -0.55 0.00 0.00 175.29 174.63 1z3r s LEU 79 N -3.01 1.81 0.09 3.68 1.02 -1.26 -0.71 118.68 120.31 1z3r s LEU 79 Ca 0.24 -0.77 -0.31 0.00 0.02 0.00 0.00 54.13 53.32 1z3r s LEU 79 Cb -0.06 0.72 -0.10 0.00 0.02 0.00 0.00 46.19 46.77 1z3r s LEU 79 CO 0.11 -0.67 1.85 -2.84 0.02 0.00 0.00 176.35 174.82 1z3r s PRO 80 N -3.81 4.14 0.34 1.29 0.02 -1.26 -4.95 135.00 130.77 1z3r s PRO 80 Ca 0.05 2.57 -0.27 0.00 0.02 0.00 0.00 61.00 63.37 1z3r s PRO 80 Cb 0.06 -3.75 -0.12 0.00 0.02 0.00 0.00 34.50 30.70 1z3r s PRO 80 CO -0.10 -0.86 1.19 -2.30 -0.33 0.00 0.00 177.00 174.60 1z3r n PRO 81 N 6.19 1.85 0.00 5.54 -0.02 -1.26 -4.62 135.00 142.67 1z3r n PRO 81 Ca 0.18 0.65 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1z3r n PRO 81 Cb 0.39 -2.19 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 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 0.92 0.26 3.44 -1.23 0.00 -0.79 -4.96 105.19 102.83 1z3r n GLY 82 Ca 0.06 -2.15 -0.35 0.00 0.00 0.00 0.00 46.02 43.59 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 4.73 -0.02 1.61 3.68 -1.26 -0.08 116.67 121.32 1z3r s ASP 83 Ca 0.00 -0.22 0.01 0.00 2.13 0.00 0.00 52.55 54.48 1z3r s ASP 83 Cb 0.00 -1.80 0.01 0.00 -1.45 0.00 0.00 42.92 39.68 1z3r s ASP 83 CO 0.00 0.08 -0.05 0.20 0.13 0.00 0.00 175.17 175.53 1z3r s ASN 84 N 0.92 0.80 -0.41 -0.34 0.01 -0.27 -1.29 114.94 114.35 1z3r s ASN 84 Ca 0.01 -0.11 -0.17 0.00 -0.71 0.00 0.00 52.86 51.88 1z3r s ASN 84 Cb -0.14 -0.27 0.02 0.00 0.41 0.00 0.00 41.25 41.27 1z3r s ASN 84 CO 0.02 0.00 0.40 -0.63 -1.51 0.00 0.00 177.10 175.38 1z3r s ILE 85 N 0.44 5.13 -0.36 0.60 1.09 0.57 -0.46 121.20 128.20 1z3r s ILE 85 Ca -0.05 -0.36 -0.15 0.00 -1.10 0.00 0.00 60.65 58.98 1z3r s ILE 85 Cb -0.09 -4.00 -0.00 0.00 -1.06 0.00 0.00 42.46 37.31 1z3r s ILE 85 CO -0.00 -0.37 0.33 -0.63 -0.10 0.00 0.00 174.94 174.17 1z3r s ILE 86 N 2.04 5.21 -0.10 2.92 1.01 0.37 -0.60 121.20 132.05 1z3r s ILE 86 Ca 0.11 -0.20 -0.09 0.00 0.00 0.00 0.00 60.65 60.46 1z3r s ILE 86 Cb -0.17 -3.84 -0.04 0.00 0.01 0.00 0.00 42.46 38.41 1z3r s ILE 86 CO 0.13 -0.15 0.21 -0.31 0.00 0.00 0.00 174.94 174.82 1z3r s TYR 87 N 1.89 3.61 -0.65 3.97 2.02 0.46 -1.11 117.35 127.55 1z3r s TYR 87 Ca 0.09 0.63 0.04 0.00 -0.37 0.00 0.00 57.07 57.46 1z3r s TYR 87 Cb -0.17 -2.06 0.16 0.00 -0.40 0.00 0.00 41.96 39.49 1z3r s TYR 87 CO 0.11 0.67 0.43 0.08 -1.57 0.00 0.00 175.55 175.28 1z3r s VAL 88 N -0.89 2.97 0.00 0.71 1.01 0.12 -2.45 120.40 121.86 1z3r s VAL 88 Ca 0.17 -3.84 0.00 0.00 0.00 0.00 0.00 61.98 58.31 1z3r s VAL 88 Cb -0.13 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.28 1z3r s VAL 88 CO 0.06 -0.93 0.00 0.61 0.00 0.00 0.00 175.10 174.84 1z3r n GLY 89 N 2.49 1.40 0.00 4.51 0.00 -0.12 -3.60 105.19 109.86 1z3r n GLY 89 Ca 0.14 -0.83 0.04 0.00 0.00 0.00 0.00 46.02 45.37 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 3.84 3.86 -1.77 1.61 4.07 0.27 -4.95 120.64 127.58 1z3r n GLU 90 Ca 0.00 -0.01 -0.42 0.00 -0.06 0.00 0.00 57.16 56.67 1z3r n GLU 90 Cb 0.00 -0.92 -0.03 0.00 -0.06 0.00 0.00 31.44 30.43 1z3r n GLU 90 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1z3r s LEU 91 N -2.51 4.39 0.38 4.31 2.96 -1.21 -5.00 118.68 122.00 1z3r s LEU 91 Ca 0.03 2.67 0.04 0.00 -0.22 0.00 0.00 54.13 56.64 1z3r s LEU 91 Cb 0.06 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.16 1z3r s LEU 91 CO 0.34 -0.98 0.11 -1.59 -1.32 0.00 0.00 176.35 172.91 1z3r s LYS 92 N 2.95 1.85 -0.21 1.98 -2.85 -1.26 -0.70 119.74 121.49 1z3r s LYS 92 Ca 0.80 -2.10 -0.14 0.00 -1.00 0.00 0.00 55.97 53.52 1z3r s LYS 92 Cb -0.44 -0.65 0.06 0.00 -2.06 0.00 0.00 37.83 34.74 1z3r s LYS 92 CO 0.36 -0.41 0.53 -1.58 0.10 0.00 0.00 175.35 174.36 1z3r s HIS 93 N -3.26 -0.74 -0.37 1.78 2.46 -0.26 -4.96 115.29 109.95 1z3r s HIS 93 Ca 0.27 1.59 -0.29 0.00 0.47 0.00 0.00 55.06 57.10 1z3r s HIS 93 Cb 0.04 0.35 0.00 0.00 -0.13 0.00 0.00 32.58 32.85 1z3r s HIS 93 CO 0.15 -0.38 1.42 -1.14 -2.47 0.00 0.00 174.74 172.32 1z3r s GLN 94 N 1.10 3.66 -0.40 2.88 0.74 -1.26 -0.48 119.66 125.89 1z3r s GLN 94 Ca -0.07 1.08 -0.07 0.00 0.05 0.00 0.00 55.36 56.36 1z3r s GLN 94 Cb -0.06 -4.00 0.08 0.00 1.10 0.00 0.00 33.01 30.13 1z3r s GLN 94 CO -0.10 -1.46 0.22 -0.46 -0.55 0.00 0.00 175.29 172.94 1z3r s TRP 95 N 5.24 3.39 -0.64 1.67 -0.11 0.40 -4.98 118.94 123.91 1z3r s TRP 95 Ca 0.62 -1.78 -0.27 0.00 1.22 0.00 0.00 56.10 55.89 1z3r s TRP 95 Cb -0.16 -2.93 -0.01 0.00 -1.50 0.00 0.00 33.47 28.88 1z3r s TRP 95 CO 0.30 -0.87 1.71 -0.59 -4.62 0.00 0.00 176.95 172.87 1z3r s PHE 96 N 1.34 1.83 0.19 5.86 -0.71 -1.26 -1.11 117.98 124.11 1z3r s PHE 96 Ca 0.03 0.57 -0.30 0.00 -1.04 0.00 0.00 56.93 56.20 1z3r s PHE 96 Cb -0.23 -4.23 -0.08 0.00 -1.21 0.00 0.00 43.02 37.28 1z3r s PHE 96 CO 0.00 -2.25 1.15 -1.14 -1.34 0.00 0.00 175.22 171.64 1z3r s GLN 97 N 6.67 4.54 0.16 1.99 2.00 0.88 -4.93 119.66 130.97 1z3r s GLN 97 Ca 0.59 1.81 0.09 0.00 -2.00 0.00 0.00 55.36 55.85 1z3r s GLN 97 Cb -0.12 -3.25 -0.04 0.00 0.80 0.00 0.00 33.01 30.40 1z3r s GLN 97 CO 0.20 -0.01 -0.11 -1.59 -0.50 0.00 0.00 175.29 173.28 1z3r s LYS 98 N -0.36 2.03 0.00 1.67 -2.85 -1.26 -1.88 119.74 117.10 1z3r s LYS 98 Ca 0.51 -1.22 0.00 0.00 -1.00 0.00 0.00 55.97 54.25 1z3r s LYS 98 Cb -0.31 -2.17 0.00 0.00 -2.06 0.00 0.00 37.83 33.28 1z3r s LYS 98 CO 0.36 0.45 0.00 0.41 0.10 0.00 0.00 175.35 176.67