#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1z3r s SER 2 N 0.00 5.36 0.00 9.51 1.04 -1.26 -4.88 113.70 123.47 1z3r s SER 2 Ca 0.00 0.66 0.00 0.00 0.48 0.00 0.00 55.95 57.09 1z3r s SER 2 Cb 0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1z3r s SER 2 CO 0.00 -2.25 0.74 0.29 0.98 0.00 0.00 173.24 173.00 1z3r n LYS 3 N 8.96 0.76 -0.15 4.02 4.76 -1.26 -4.75 118.16 130.50 1z3r n LYS 3 Ca 0.22 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1z3r n LYS 3 Cb 0.51 -1.13 0.00 0.00 -1.84 0.00 0.00 35.03 32.57 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 0.60 0.00 0.34 0.72 0.00 -1.26 -4.54 105.19 101.04 1z3r n GLY 4 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.23 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 0.01 0.00 0.00 0.99 4.07 -1.91 -2.48 115.31 115.99 1z3r h LEU 5 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1z3r h LEU 5 Cb 0.00 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.74 1z3r h LEU 5 CO 0.00 0.00 -1.14 0.35 -1.08 0.00 0.00 178.44 176.57 1z3r n THR 6 N -3.13 0.00 -2.29 0.22 -2.24 -1.26 -5.04 114.28 100.54 1z3r n THR 6 Ca -0.03 -0.18 -0.36 0.00 -2.27 0.00 0.00 64.05 61.21 1z3r n THR 6 Cb 0.13 0.73 -0.01 0.00 -2.10 0.00 0.00 70.33 69.08 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 -2.86 2.83 0.62 4.78 2.02 -0.93 -5.02 117.35 118.79 1z3r s TYR 7 Ca 0.03 1.55 -0.18 0.00 -0.37 0.00 0.00 57.07 58.10 1z3r s TYR 7 Cb 0.13 -3.32 -0.02 0.00 -0.40 0.00 0.00 41.96 38.35 1z3r s TYR 7 CO 0.75 -1.45 1.19 0.99 -1.57 0.00 0.00 175.55 175.46 1z3r s THR 8 N -1.65 2.71 0.33 -0.71 2.01 -1.26 -4.39 115.64 112.67 1z3r s THR 8 Ca 0.67 0.41 -0.29 0.00 0.31 0.00 0.00 61.69 62.78 1z3r s THR 8 Cb -0.26 -3.09 -0.11 0.00 0.01 0.00 0.00 72.50 69.05 1z3r s THR 8 CO 0.31 -0.13 1.57 -0.04 -0.69 0.00 0.00 174.62 175.64 1z3r s MET 9 N -3.53 4.10 0.81 4.92 -1.94 -1.26 -0.38 119.30 122.03 1z3r s MET 9 Ca 0.75 2.60 -0.12 0.00 -1.71 0.00 0.00 55.69 57.22 1z3r s MET 9 Cb -0.28 -3.00 0.08 0.00 2.01 0.00 0.00 34.83 33.65 1z3r s MET 9 CO 0.36 -0.62 1.14 0.00 -0.01 0.00 0.00 175.02 175.89 1z3r n ASP 11 N -3.57 4.00 0.23 0.00 -0.08 -1.26 -4.67 116.55 111.19 1z3r n ASP 11 Ca 0.11 1.01 0.15 0.00 -1.51 0.00 0.00 54.79 54.55 1z3r n ASP 11 Cb 0.52 -1.55 0.80 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 7.93 0.00 0.00 -0.67 1.57 -1.94 -3.21 116.57 120.26 1z3r h LYS 12 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1z3r h LYS 12 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.53 1z3r h LYS 12 CO 0.95 0.00 -0.99 0.00 -0.57 0.00 0.00 179.45 178.84 1z3r n ALA 13 N -1.88 2.20 1.33 3.86 0.00 -1.26 -0.57 120.51 124.19 1z3r n ALA 13 Ca -0.02 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1z3r n ALA 13 Cb 0.06 -0.13 0.02 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.53 1.14 -3.88 0.00 4.76 -1.21 -4.90 118.16 112.54 1z3r n LYS 14 Ca -0.00 -0.14 -0.21 0.00 -2.87 0.00 0.00 58.31 55.08 1z3r n LYS 14 Cb 0.09 -1.32 -0.02 0.00 -1.84 0.00 0.00 35.03 31.94 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 -1.46 3.46 0.01 2.13 0.08 -1.26 -0.33 117.98 120.61 1z3r s PHE 15 Ca 0.02 0.04 -0.01 0.00 0.12 0.00 0.00 56.93 57.10 1z3r s PHE 15 Cb 0.02 -1.62 -0.01 0.00 -0.57 0.00 0.00 43.02 40.84 1z3r s PHE 15 CO 0.01 0.39 0.01 0.95 -0.10 0.00 0.00 175.22 176.49 1z3r s THR 16 N -2.03 0.07 -0.33 0.64 -4.23 -0.06 -4.98 115.64 104.73 1z3r s THR 16 Ca 0.35 -0.59 -0.28 0.00 -1.18 0.00 0.00 61.69 59.98 1z3r s THR 16 Cb -0.09 -0.22 -0.02 0.00 1.34 0.00 0.00 72.50 73.51 1z3r s THR 16 CO 0.30 -0.33 1.76 0.26 -0.54 0.00 0.00 174.62 176.08 1z3r s TRP 17 N -0.98 1.86 0.13 3.99 0.23 -1.26 -0.79 118.94 122.11 1z3r s TRP 17 Ca -0.11 0.61 -0.13 0.00 -2.03 0.00 0.00 56.10 54.45 1z3r s TRP 17 Cb -0.07 -4.14 -0.05 0.00 0.03 0.00 0.00 33.47 29.25 1z3r s TRP 17 CO -0.00 -2.91 1.48 0.87 0.96 0.00 0.00 176.95 177.34 1z3r h LYS 18 N 12.59 0.84 -2.77 4.98 1.57 -0.99 -3.42 116.57 129.35 1z3r h LYS 18 Ca -0.33 -0.41 -0.49 0.00 -1.87 0.00 0.00 60.65 57.55 1z3r h LYS 18 Cb 1.16 -0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.08 1z3r h LYS 18 CO 1.03 1.04 -0.76 0.50 -0.57 0.00 0.00 179.45 180.70 1z3r s ARG 19 N -4.50 0.18 0.71 3.15 3.52 0.12 -4.94 118.95 117.19 1z3r s ARG 19 Ca -0.12 -0.39 -0.16 0.00 -0.13 0.00 0.00 55.73 54.93 1z3r s ARG 19 Cb 0.10 -1.24 0.02 0.00 -1.56 0.00 0.00 34.95 32.27 1z3r s ARG 19 CO 0.85 -0.95 1.19 0.00 -0.81 0.00 0.00 175.30 175.58 1z3r n ALA 20 N 5.26 0.49 -1.71 6.12 0.00 -1.26 -0.45 120.51 128.97 1z3r n ALA 20 Ca -0.06 -0.13 -0.58 0.00 0.00 0.00 0.00 53.44 52.67 1z3r n ALA 20 Cb 0.44 -2.25 -0.07 0.00 0.00 0.00 0.00 19.45 17.56 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 -2.24 1.09 -4.22 0.00 -0.02 -1.26 -4.74 135.00 123.60 1z3r n PRO 21 Ca 0.15 0.40 -0.13 0.00 -2.02 0.00 0.00 63.50 61.89 1z3r n PRO 21 Cb 0.49 -2.07 -0.10 0.00 -0.02 0.00 0.00 33.50 31.80 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 3.45 0.10 0.36 3.45 -1.32 -0.29 -4.94 115.64 116.44 1z3r s THR 22 Ca 0.98 -2.00 -0.25 0.00 -1.21 0.00 0.00 61.69 59.22 1z3r s THR 22 Cb -1.09 -2.52 -0.10 0.00 -1.51 0.00 0.00 72.50 67.28 1z3r s THR 22 CO 0.66 0.00 0.97 -0.62 -2.21 0.00 0.00 174.62 173.43 1z3r s ASP 23 N -3.19 7.12 0.24 8.08 -1.08 -1.26 -0.53 116.67 126.04 1z3r s ASP 23 Ca 0.39 1.87 0.23 0.00 -0.52 0.00 0.00 52.55 54.52 1z3r s ASP 23 Cb 0.07 -2.57 0.27 0.00 -1.46 0.00 0.00 42.92 39.22 1z3r s ASP 23 CO 0.13 -0.23 1.34 0.77 0.52 0.00 0.00 175.17 177.70 1z3r h SER 24 N 2.79 0.00 0.00 -0.34 4.64 -1.52 -3.45 113.55 115.67 1z3r h SER 24 Ca -0.48 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.78 1z3r h SER 24 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1z3r h SER 24 CO 0.64 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 177.24 1z3r n GLY 25 N 1.22 2.00 0.60 -0.77 0.00 -1.26 -4.90 105.19 102.08 1z3r n GLY 25 Ca 0.02 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.15 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 0.24 -3.73 1.61 8.25 -1.26 -4.91 115.22 113.42 1z3r n HIS 26 Ca 0.00 -0.12 -0.28 0.00 -0.26 0.00 0.00 57.72 57.06 1z3r n HIS 26 Cb 0.00 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.14 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 0.41 -4.98 -4.50 0.41 10.43 -1.26 -5.03 116.55 112.03 1z3r n ASP 27 Ca 0.16 -0.66 -0.24 0.00 2.57 0.00 0.00 54.79 56.62 1z3r n ASP 27 Cb 0.35 -3.98 -0.11 0.00 1.84 0.00 0.00 41.12 39.21 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 -3.24 1.41 -0.24 -3.53 -4.23 -1.26 -4.80 115.64 99.75 1z3r s THR 28 Ca 0.60 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.13 1z3r s THR 28 Cb -0.29 -2.83 0.05 0.00 1.34 0.00 0.00 72.50 70.77 1z3r s THR 28 CO 0.73 0.00 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.99 1z3r s VAL 29 N -3.11 2.16 -0.12 2.29 1.01 0.11 -1.18 120.40 121.55 1z3r s VAL 29 Ca 0.35 -1.45 -0.06 0.00 0.00 0.00 0.00 61.98 60.82 1z3r s VAL 29 Cb 0.09 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.25 1z3r s VAL 29 CO 0.16 0.12 0.10 0.68 0.00 0.00 0.00 175.10 176.17 1z3r s VAL 30 N 1.15 5.21 0.17 2.92 -7.23 0.31 -1.11 120.40 121.82 1z3r s VAL 30 Ca -0.05 0.10 -0.14 0.00 -1.81 0.00 0.00 61.98 60.07 1z3r s VAL 30 Cb -0.18 -3.26 0.01 0.00 0.56 0.00 0.00 36.38 33.52 1z3r s VAL 30 CO -0.07 0.61 0.41 0.00 -0.31 0.00 0.00 175.10 175.74 1z3r s MET 31 N -0.93 1.24 -0.15 4.82 0.23 -0.71 -1.14 119.30 122.66 1z3r s MET 31 Ca 0.14 -0.96 -0.19 0.00 -1.03 0.00 0.00 55.69 53.65 1z3r s MET 31 Cb -0.12 0.46 0.05 0.00 -1.53 0.00 0.00 34.83 33.69 1z3r s MET 31 CO 0.03 -0.50 0.51 -2.00 -2.03 0.00 0.00 175.02 171.04 1z3r s GLU 32 N -3.90 0.68 0.09 3.16 2.12 0.41 -1.35 118.70 119.91 1z3r s GLU 32 Ca 0.11 0.53 0.02 0.00 0.36 0.00 0.00 54.97 55.99 1z3r s GLU 32 Cb 0.01 0.32 -0.04 0.00 0.26 0.00 0.00 34.13 34.68 1z3r s GLU 32 CO -0.03 -0.12 -0.06 0.14 -0.54 0.00 0.00 175.26 174.64 1z3r s VAL 33 N -0.15 0.66 0.19 3.70 -7.23 0.37 -0.39 120.40 117.55 1z3r s VAL 33 Ca -0.03 -1.88 0.09 0.00 -1.81 0.00 0.00 61.98 58.35 1z3r s VAL 33 Cb -0.03 -1.61 -0.04 0.00 0.56 0.00 0.00 36.38 35.25 1z3r s VAL 33 CO 0.02 -0.85 -0.11 0.00 -0.31 0.00 0.00 175.10 173.85 1z3r s ALA 34 N -3.51 2.91 -0.04 1.32 0.00 0.03 -4.47 121.76 117.99 1z3r s ALA 34 Ca 0.10 -1.50 -0.01 0.00 0.00 0.00 0.00 51.96 50.56 1z3r s ALA 34 Cb 0.05 -0.69 0.03 0.00 0.00 0.00 0.00 23.12 22.50 1z3r s ALA 34 CO -0.05 0.45 0.03 0.12 0.00 0.00 0.00 175.76 176.32 1z3r s PHE 35 N -1.73 0.23 -1.48 0.00 5.36 -1.26 -0.88 117.98 118.22 1z3r s PHE 35 Ca 0.25 0.09 0.28 0.00 -0.96 0.00 0.00 56.93 56.59 1z3r s PHE 35 Cb -0.09 -0.48 1.04 0.00 -0.34 0.00 0.00 43.02 43.16 1z3r s PHE 35 CO 0.15 -0.18 1.75 0.43 -1.46 0.00 0.00 175.22 175.91 1z3r n SER 36 N 4.77 0.50 -1.69 6.13 7.64 0.55 -4.90 113.62 126.62 1z3r n SER 36 Ca -0.14 -0.44 0.00 0.00 1.01 0.00 0.00 58.87 59.30 1z3r n SER 36 Cb 0.50 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 1.35 0.77 3.45 0.23 0.00 -1.26 -5.07 105.19 104.66 1z3r n GLY 37 Ca 0.12 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.84 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 -0.87 2.03 -5.00 2.61 -1.04 -1.26 -5.06 114.28 105.69 1z3r n THR 38 Ca 0.00 -0.48 -0.29 0.00 -2.04 0.00 0.00 64.05 61.24 1z3r n THR 38 Cb 0.00 -0.65 -0.17 0.00 -1.82 0.00 0.00 70.33 67.69 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 -2.18 2.51 0.82 -2.82 -0.14 -1.26 -4.16 119.74 112.52 1z3r s LYS 39 Ca 0.67 -0.72 -0.12 0.00 -1.36 0.00 0.00 55.97 54.44 1z3r s LYS 39 Cb -0.42 -1.96 0.09 0.00 -1.68 0.00 0.00 37.83 33.85 1z3r s LYS 39 CO 0.56 0.15 1.19 -1.25 -0.76 0.00 0.00 175.35 175.25 1z3r s PRO 40 N 0.38 1.83 0.18 -1.68 0.04 -1.26 -4.90 135.00 129.59 1z3r s PRO 40 Ca -0.15 0.05 -0.18 0.00 0.04 0.00 0.00 61.00 60.76 1z3r s PRO 40 Cb -0.17 -1.94 0.04 0.00 0.04 0.00 0.00 34.50 32.47 1z3r s PRO 40 CO 0.07 -1.68 0.52 0.00 0.04 0.00 0.00 177.00 175.94 1z3r s ARG 42 N -3.84 4.33 -0.16 0.00 3.52 0.49 -0.78 118.95 122.51 1z3r s ARG 42 Ca 0.07 0.67 -0.29 0.00 -0.13 0.00 0.00 55.73 56.04 1z3r s ARG 42 Cb -0.01 -3.49 -0.03 0.00 -1.56 0.00 0.00 34.95 29.86 1z3r s ARG 42 CO -0.06 -0.02 1.53 0.42 -0.81 0.00 0.00 175.30 176.35 1z3r s ILE 43 N 1.16 3.82 -1.17 4.11 1.01 0.21 -0.34 121.20 130.01 1z3r s ILE 43 Ca 0.31 0.97 -0.21 0.00 0.00 0.00 0.00 60.65 61.72 1z3r s ILE 43 Cb -0.16 -3.72 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 1z3r s ILE 43 CO 0.13 -0.19 1.90 -0.81 0.00 0.00 0.00 174.94 175.97 1z3r n PRO 44 N 7.21 2.02 -4.05 2.79 -0.04 -1.26 -4.78 135.00 136.89 1z3r n PRO 44 Ca 0.17 -2.58 -0.33 0.00 -0.04 0.00 0.00 63.50 60.72 1z3r n PRO 44 Cb 0.44 -3.54 -0.07 0.00 -0.04 0.00 0.00 33.50 30.30 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 8.22 4.91 0.15 0.52 1.01 -1.26 -0.29 120.40 133.65 1z3r s VAL 45 Ca 0.62 -0.32 -0.24 0.00 0.00 0.00 0.00 61.98 62.04 1z3r s VAL 45 Cb 0.03 -3.25 0.06 0.00 0.00 0.00 0.00 36.38 33.23 1z3r s VAL 45 CO 0.11 0.37 0.78 0.00 0.00 0.00 0.00 175.10 176.35 1z3r s ARG 46 N -1.72 1.27 -0.03 2.72 1.70 -1.20 -5.01 118.95 116.67 1z3r s ARG 46 Ca 0.23 -0.59 0.02 0.00 -0.47 0.00 0.00 55.73 54.92 1z3r s ARG 46 Cb -0.12 0.50 0.01 0.00 -0.57 0.00 0.00 34.95 34.77 1z3r s ARG 46 CO 0.14 -0.57 -0.09 0.00 -1.08 0.00 0.00 175.30 173.71 1z3r s ALA 47 N -3.53 0.87 -0.15 7.88 0.00 -1.26 -0.55 121.76 125.00 1z3r s ALA 47 Ca 0.07 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.74 1z3r s ALA 47 Cb -0.02 -0.36 0.02 0.00 0.00 0.00 0.00 23.12 22.76 1z3r s ALA 47 CO -0.04 0.11 -0.16 0.14 0.00 0.00 0.00 175.76 175.82 1z3r s VAL 48 N 0.35 1.70 0.37 0.00 -7.23 0.04 -0.09 120.40 115.54 1z3r s VAL 48 Ca -0.06 -0.71 -0.28 0.00 -1.81 0.00 0.00 61.98 59.12 1z3r s VAL 48 Cb -0.10 -1.57 -0.11 0.00 0.56 0.00 0.00 36.38 35.16 1z3r s VAL 48 CO 0.01 0.48 1.43 0.00 -0.31 0.00 0.00 175.10 176.71 1z3r s ALA 49 N 1.39 3.54 -0.61 1.32 0.00 -1.26 -0.42 121.76 125.72 1z3r s ALA 49 Ca 0.04 1.48 -0.27 0.00 0.00 0.00 0.00 51.96 53.21 1z3r s ALA 49 Cb -0.13 -3.57 -0.11 0.00 0.00 0.00 0.00 23.12 19.31 1z3r s ALA 49 CO -0.10 -0.95 2.48 1.58 0.00 0.00 0.00 175.76 178.77 1z3r n HIS 50 N 0.52 1.23 0.00 0.00 -0.00 -0.31 -1.16 115.22 115.50 1z3r n HIS 50 Ca 0.01 0.18 0.00 0.00 0.46 0.00 0.00 57.72 58.37 1z3r n HIS 50 Cb 0.40 -2.58 0.00 0.00 -0.12 0.00 0.00 29.99 27.69 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 6.13 1.43 2.38 1.57 0.00 -1.26 -5.04 105.19 110.39 1z3r n GLY 51 Ca 0.44 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.19 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 2.84 0.15 4.61 0.00 -0.31 -4.99 120.51 122.81 1z3r n ALA 52 Ca 0.00 -3.12 0.09 0.00 0.00 0.00 0.00 53.44 50.41 1z3r n ALA 52 Cb 0.00 -0.75 0.47 0.00 0.00 0.00 0.00 19.45 19.17 1z3r n ALA 52 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1z3r n PRO 53 N 2.77 0.11 0.12 0.00 -0.02 -1.26 -2.63 135.00 134.09 1z3r n PRO 53 Ca 0.30 0.60 0.02 0.00 -2.02 0.00 0.00 63.50 62.40 1z3r n PRO 53 Cb 0.48 -1.97 0.01 0.00 -0.02 0.00 0.00 33.50 32.00 1z3r n PRO 53 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1z3r h ASP 54 N 0.00 0.00 -3.58 2.55 3.32 -1.94 -3.46 116.42 113.31 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 0.19 0.00 -0.30 0.00 0.22 0.00 0.00 39.33 39.44 1z3r h ASP 54 CO 0.00 0.51 -0.69 -0.69 -1.72 0.00 0.00 179.24 176.66 1z3r s VAL 55 N -2.96 3.34 -0.06 -1.35 1.01 -1.08 -5.08 120.40 114.22 1z3r s VAL 55 Ca 0.03 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 1z3r s VAL 55 Cb 0.08 -2.74 -0.05 0.00 0.00 0.00 0.00 36.38 33.67 1z3r s VAL 55 CO 0.76 0.10 1.55 -0.62 0.00 0.00 0.00 175.10 176.89 1z3r s ASP 56 N 1.38 6.74 0.00 3.32 2.15 -1.26 -4.23 116.67 124.78 1z3r s ASP 56 Ca 0.00 2.13 0.19 0.00 0.43 0.00 0.00 52.55 55.30 1z3r s ASP 56 Cb -0.17 -2.54 0.19 0.00 -0.30 0.00 0.00 42.92 40.10 1z3r s ASP 56 CO -0.01 -0.87 1.13 1.33 -0.17 0.00 0.00 175.17 176.58 1z3r n VAL 57 N 5.34 0.11 -2.04 1.11 0.24 0.87 -4.92 118.33 119.04 1z3r n VAL 57 Ca 0.16 -0.55 -0.43 0.00 -2.04 0.00 0.00 64.34 61.48 1z3r n VAL 57 Cb 0.43 1.29 -0.03 0.00 -1.47 0.00 0.00 33.84 34.07 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 -1.49 3.05 -0.67 2.33 0.00 -1.26 -4.61 121.76 119.12 1z3r s ALA 58 Ca 0.24 0.37 -0.17 0.00 0.00 0.00 0.00 51.96 52.40 1z3r s ALA 58 Cb 0.16 -3.94 0.15 0.00 0.00 0.00 0.00 23.12 19.49 1z3r s ALA 58 CO 0.24 -2.32 0.69 -1.64 0.00 0.00 0.00 175.76 172.73 1z3r s MET 59 N 5.22 3.23 0.13 0.00 -1.94 -0.36 -4.93 119.30 120.66 1z3r s MET 59 Ca 0.76 -1.82 -0.31 0.00 -1.71 0.00 0.00 55.69 52.62 1z3r s MET 59 Cb -0.24 -4.38 -0.10 0.00 2.01 0.00 0.00 34.83 32.12 1z3r s MET 59 CO 0.32 -1.42 1.68 -0.51 -0.01 0.00 0.00 175.02 175.08 1z3r s LEU 60 N 1.60 4.38 -0.00 -0.03 1.02 -1.26 -0.25 118.68 124.14 1z3r s LEU 60 Ca 0.12 2.65 0.17 0.00 0.02 0.00 0.00 54.13 57.09 1z3r s LEU 60 Cb -0.20 -3.58 -0.18 0.00 0.02 0.00 0.00 46.19 42.24 1z3r s LEU 60 CO -0.01 -0.91 0.66 -0.38 0.02 0.00 0.00 176.35 175.74 1z3r n ILE 61 N 4.37 1.19 -3.58 -0.59 2.08 0.47 -4.89 119.36 118.41 1z3r n ILE 61 Ca 0.16 -0.72 -0.20 0.00 0.56 0.00 0.00 62.75 62.55 1z3r n ILE 61 Cb 0.38 -0.69 -0.01 0.00 -0.75 0.00 0.00 39.64 38.57 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 -2.86 3.89 1.27 1.39 -1.32 -0.74 -5.00 115.64 112.27 1z3r s THR 62 Ca -0.05 -1.12 -0.16 0.00 -1.21 0.00 0.00 61.69 59.16 1z3r s THR 62 Cb 0.09 -3.33 0.32 0.00 -1.51 0.00 0.00 72.50 68.06 1z3r s THR 62 CO 0.82 -0.16 0.99 -2.84 -2.21 0.00 0.00 174.62 171.22 1z3r s PRO 63 N -4.12 -1.72 -0.45 7.08 0.02 -1.26 -4.84 135.00 129.71 1z3r s PRO 63 Ca 0.44 0.61 -0.40 0.00 0.02 0.00 0.00 61.00 61.67 1z3r s PRO 63 Cb -0.08 -1.48 -0.17 0.00 0.02 0.00 0.00 34.50 32.79 1z3r s PRO 63 CO 0.30 -4.20 1.91 -1.71 -0.33 0.00 0.00 177.00 172.97 1z3r n ASN 64 N -5.22 0.70 -4.75 2.53 5.15 -1.26 -4.87 115.26 107.53 1z3r n ASN 64 Ca 0.05 0.64 -0.40 0.00 -0.60 0.00 0.00 54.58 54.27 1z3r n ASN 64 Cb 0.56 -0.81 -0.06 0.00 -0.53 0.00 0.00 39.78 38.94 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 5.30 4.79 0.08 1.20 0.04 -1.26 -4.53 135.00 140.61 1z3r s PRO 65 Ca 1.08 1.55 0.02 0.00 0.04 0.00 0.00 61.00 63.69 1z3r s PRO 65 Cb -1.36 -3.22 -0.04 0.00 0.04 0.00 0.00 34.50 29.92 1z3r s PRO 65 CO 0.60 0.43 -0.07 0.95 0.04 0.00 0.00 177.00 178.95 1z3r s THR 66 N -1.21 0.65 -0.08 1.26 -4.23 -1.26 -0.62 115.64 110.15 1z3r s THR 66 Ca 0.42 -1.60 0.04 0.00 -1.18 0.00 0.00 61.69 59.37 1z3r s THR 66 Cb -0.27 -1.27 -0.02 0.00 1.34 0.00 0.00 72.50 72.29 1z3r s THR 66 CO 0.33 -0.68 -0.19 -0.32 -0.54 0.00 0.00 174.62 173.23 1z3r s MET 67 N -2.94 2.79 0.23 3.99 1.75 0.04 -0.55 119.30 124.60 1z3r s MET 67 Ca 0.03 -0.78 0.00 0.00 -1.25 0.00 0.00 55.69 53.69 1z3r s MET 67 Cb -0.01 -2.36 -0.04 0.00 2.84 0.00 0.00 34.83 35.27 1z3r s MET 67 CO -0.03 0.40 0.19 -1.21 -0.65 0.00 0.00 175.02 173.72 1z3r s GLU 68 N -0.17 1.35 0.00 4.11 2.02 -1.20 -1.22 118.70 123.59 1z3r s GLU 68 Ca -0.02 -1.70 0.26 0.00 0.02 0.00 0.00 54.97 53.53 1z3r s GLU 68 Cb -0.14 0.30 0.60 0.00 0.10 0.00 0.00 34.13 34.99 1z3r s GLU 68 CO 0.03 -0.47 1.47 0.27 0.02 0.00 0.00 175.26 176.59 1z3r n ASN 69 N -0.58 0.85 -0.93 -0.19 0.23 -1.26 -4.40 115.26 108.99 1z3r n ASN 69 Ca 0.03 -0.67 0.05 0.00 -0.53 0.00 0.00 54.58 53.46 1z3r n ASN 69 Cb 0.65 0.22 0.11 0.00 -2.08 0.00 0.00 39.78 38.68 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 -0.98 1.33 0.00 0.53 0.23 -1.26 -5.07 115.26 110.04 1z3r n ASN 70 Ca 0.09 -2.90 0.00 0.00 -0.53 0.00 0.00 54.58 51.24 1z3r n ASN 70 Cb 0.35 -0.40 0.00 0.00 -2.08 0.00 0.00 39.78 37.65 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 -0.38 0.61 0.00 4.83 0.00 -1.26 -0.29 105.19 108.70 1z3r n GLY 71 Ca 0.12 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.31 1.27 -0.02 0.00 -1.26 -3.22 105.19 101.64 1z3r n GLY 72 Ca 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.21 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 -0.33 1.61 3.84 -0.02 0.00 0.28 -4.84 105.19 105.73 1z3r n GLY 73 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.36 3.37 -0.06 1.61 5.36 -1.26 -0.48 117.98 124.16 1z3r s PHE 74 Ca 0.00 0.19 -0.09 0.00 -0.96 0.00 0.00 56.93 56.07 1z3r s PHE 74 Cb 0.00 -1.71 0.02 0.00 -0.34 0.00 0.00 43.02 40.99 1z3r s PHE 74 CO 0.00 0.57 0.24 0.42 -1.46 0.00 0.00 175.22 174.98 1z3r s ILE 75 N -1.40 0.03 -0.05 3.12 1.01 -0.46 -4.76 121.20 118.70 1z3r s ILE 75 Ca 0.30 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.75 1z3r s ILE 75 Cb -0.13 -0.42 0.01 0.00 0.01 0.00 0.00 42.46 41.94 1z3r s ILE 75 CO 0.23 -0.12 -0.09 -0.70 0.00 0.00 0.00 174.94 174.25 1z3r s GLU 76 N -0.43 1.23 0.13 2.79 2.12 -1.26 -1.74 118.70 121.54 1z3r s GLU 76 Ca -0.05 -0.30 -0.03 0.00 0.36 0.00 0.00 54.97 54.95 1z3r s GLU 76 Cb -0.04 -1.09 -0.03 0.00 0.26 0.00 0.00 34.13 33.23 1z3r s GLU 76 CO 0.01 0.03 0.10 0.00 -0.54 0.00 0.00 175.26 174.86 1z3r s MET 77 N 0.57 0.95 0.10 4.30 0.23 -0.26 -0.40 119.30 124.79 1z3r s MET 77 Ca -0.10 -1.37 0.08 0.00 -1.03 0.00 0.00 55.69 53.28 1z3r s MET 77 Cb -0.13 0.27 -0.03 0.00 -1.53 0.00 0.00 34.83 33.40 1z3r s MET 77 CO 0.02 -0.28 -0.22 -1.14 -2.03 0.00 0.00 175.02 171.37 1z3r s GLN 78 N -4.02 1.20 0.07 3.16 0.74 0.66 0.04 119.66 121.50 1z3r s GLN 78 Ca 0.21 -1.15 -0.07 0.00 0.05 0.00 0.00 55.36 54.41 1z3r s GLN 78 Cb 0.07 -1.46 -0.01 0.00 1.10 0.00 0.00 33.01 32.70 1z3r s GLN 78 CO 0.00 0.35 0.13 -0.51 -0.55 0.00 0.00 175.29 174.71 1z3r s LEU 79 N -1.81 1.69 0.16 3.68 1.02 -1.26 -1.22 118.68 120.95 1z3r s LEU 79 Ca 0.07 -0.70 -0.31 0.00 0.02 0.00 0.00 54.13 53.21 1z3r s LEU 79 Cb -0.10 0.80 -0.09 0.00 0.02 0.00 0.00 46.19 46.82 1z3r s LEU 79 CO 0.04 -0.67 1.48 -2.84 0.02 0.00 0.00 176.35 174.38 1z3r s PRO 80 N -3.68 4.27 0.26 1.29 0.02 -1.26 -4.93 135.00 130.95 1z3r s PRO 80 Ca 0.04 2.24 -0.29 0.00 0.02 0.00 0.00 61.00 63.01 1z3r s PRO 80 Cb 0.05 -3.18 -0.15 0.00 0.02 0.00 0.00 34.50 31.24 1z3r s PRO 80 CO -0.10 -0.51 0.98 -2.30 -0.33 0.00 0.00 177.00 174.74 1z3r n PRO 81 N 3.64 1.14 0.00 5.54 -0.02 -1.26 -4.71 135.00 139.33 1z3r n PRO 81 Ca 0.12 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1z3r n PRO 81 Cb 0.40 -1.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 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 1.47 0.35 3.66 -1.23 0.00 -0.61 -4.92 105.19 103.92 1z3r n GLY 82 Ca 0.12 -2.31 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.85 6.78 -0.14 1.61 3.68 -1.26 -0.39 116.67 126.10 1z3r s ASP 83 Ca 0.00 2.02 0.00 0.00 2.13 0.00 0.00 52.55 56.70 1z3r s ASP 83 Cb 0.00 -2.54 0.02 0.00 -1.45 0.00 0.00 42.92 38.96 1z3r s ASP 83 CO 0.00 -0.86 -0.14 0.20 0.13 0.00 0.00 175.17 174.51 1z3r s ASN 84 N 2.78 2.61 -0.60 -0.34 0.01 0.05 -1.16 114.94 118.30 1z3r s ASN 84 Ca 0.66 -0.46 -0.28 0.00 -0.71 0.00 0.00 52.86 52.06 1z3r s ASN 84 Cb -0.29 -1.14 0.03 0.00 0.41 0.00 0.00 41.25 40.26 1z3r s ASN 84 CO 0.23 -0.05 1.23 -0.63 -1.51 0.00 0.00 177.10 176.37 1z3r s ILE 85 N 1.46 3.95 -0.01 0.60 1.09 0.44 -0.45 121.20 128.28 1z3r s ILE 85 Ca 0.04 0.82 -0.18 0.00 -1.10 0.00 0.00 60.65 60.23 1z3r s ILE 85 Cb -0.13 -4.72 -0.06 0.00 -1.06 0.00 0.00 42.46 36.49 1z3r s ILE 85 CO -0.10 -1.39 0.51 -0.63 -0.10 0.00 0.00 174.94 173.23 1z3r s ILE 86 N 5.17 4.96 0.11 2.92 1.01 0.29 -0.78 121.20 134.88 1z3r s ILE 86 Ca 0.43 1.06 0.10 0.00 0.00 0.00 0.00 60.65 62.24 1z3r s ILE 86 Cb -0.08 -3.83 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1z3r s ILE 86 CO 0.24 0.48 -0.25 -0.31 0.00 0.00 0.00 174.94 175.11 1z3r s TYR 87 N -0.52 2.37 -0.56 3.97 2.02 0.28 -0.63 117.35 124.29 1z3r s TYR 87 Ca 0.27 -0.35 0.04 0.00 -0.37 0.00 0.00 57.07 56.66 1z3r s TYR 87 Cb -0.17 -1.31 0.16 0.00 -0.40 0.00 0.00 41.96 40.23 1z3r s TYR 87 CO 0.15 0.31 0.37 0.08 -1.57 0.00 0.00 175.55 174.89 1z3r s VAL 88 N -1.02 2.00 0.00 0.71 1.01 0.04 -3.24 120.40 119.90 1z3r s VAL 88 Ca 0.14 -3.42 0.00 0.00 0.00 0.00 0.00 61.98 58.70 1z3r s VAL 88 Cb -0.10 -2.35 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1z3r s VAL 88 CO 0.06 -1.00 0.00 0.61 0.00 0.00 0.00 175.10 174.78 1z3r n GLY 89 N 2.67 1.46 0.00 4.51 0.00 0.60 -3.37 105.19 111.06 1z3r n GLY 89 Ca 0.17 -0.52 0.02 0.00 0.00 0.00 0.00 46.02 45.68 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 0.86 4.65 -1.71 1.61 4.07 0.26 -4.95 120.64 125.43 1z3r n GLU 90 Ca 0.00 -0.01 -0.43 0.00 -0.06 0.00 0.00 57.16 56.66 1z3r n GLU 90 Cb 0.00 -0.76 -0.03 0.00 -0.06 0.00 0.00 31.44 30.59 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 -1.20 3.73 -4.20 4.31 7.94 -1.19 -5.00 117.00 121.39 1z3r n LEU 91 Ca 0.00 1.11 -0.13 0.00 -1.11 0.00 0.00 56.01 55.88 1z3r n LEU 91 Cb 0.07 -1.52 -0.09 0.00 0.53 0.00 0.00 43.42 42.41 1z3r n LEU 91 CO 0.08 -0.06 -0.18 -1.59 -1.11 0.00 0.00 177.39 174.53 1z3r s LYS 92 N 0.34 1.36 -0.27 1.96 -2.85 -1.26 -0.78 119.74 118.23 1z3r s LYS 92 Ca 0.71 -1.69 -0.18 0.00 -1.00 0.00 0.00 55.97 53.81 1z3r s LYS 92 Cb -0.57 0.30 0.08 0.00 -2.06 0.00 0.00 37.83 35.58 1z3r s LYS 92 CO 0.41 -0.47 0.68 -1.58 0.10 0.00 0.00 175.35 174.50 1z3r s HIS 93 N -3.97 -0.98 -0.20 1.78 2.46 0.20 -4.97 115.29 109.62 1z3r s HIS 93 Ca 0.38 2.05 -0.29 0.00 0.47 0.00 0.00 55.06 57.67 1z3r s HIS 93 Cb 0.05 0.53 -0.03 0.00 -0.13 0.00 0.00 32.58 33.01 1z3r s HIS 93 CO 0.15 -0.48 1.58 -0.65 -2.47 0.00 0.00 174.74 172.87 1z3r s GLN 94 N 1.30 3.89 -0.33 2.88 -0.21 -1.26 -0.55 119.66 125.39 1z3r s GLN 94 Ca -0.07 1.71 -0.05 0.00 0.02 0.00 0.00 55.36 56.96 1z3r s GLN 94 Cb -0.05 -4.00 0.04 0.00 1.00 0.00 0.00 33.01 30.00 1z3r s GLN 94 CO -0.14 -1.18 0.08 -0.46 -2.12 0.00 0.00 175.29 171.47 1z3r s TRP 95 N 4.86 3.25 -1.01 0.91 -0.11 0.41 -4.96 118.94 122.29 1z3r s TRP 95 Ca 0.70 -1.50 -0.23 0.00 1.22 0.00 0.00 56.10 56.29 1z3r s TRP 95 Cb -0.25 -2.24 -0.01 0.00 -1.50 0.00 0.00 33.47 29.47 1z3r s TRP 95 CO 0.28 -0.74 1.77 -0.06 -4.62 0.00 0.00 176.95 173.58 1z3r s PHE 96 N 1.38 2.14 0.32 5.86 0.08 -1.26 -0.77 117.98 125.73 1z3r s PHE 96 Ca -0.02 -0.05 -0.29 0.00 0.12 0.00 0.00 56.93 56.69 1z3r s PHE 96 Cb -0.19 -4.31 -0.10 0.00 -0.57 0.00 0.00 43.02 37.84 1z3r s PHE 96 CO 0.02 -1.75 1.27 -1.14 -0.10 0.00 0.00 175.22 173.52 1z3r s GLN 97 N 6.06 4.40 0.24 0.44 2.00 0.48 -4.85 119.66 128.43 1z3r s GLN 97 Ca 0.61 2.14 0.11 0.00 -2.00 0.00 0.00 55.36 56.22 1z3r s GLN 97 Cb -0.03 -3.09 -0.05 0.00 0.80 0.00 0.00 33.01 30.65 1z3r s GLN 97 CO -0.01 -0.12 -0.16 -1.59 -0.50 0.00 0.00 175.29 172.91 1z3r s LYS 98 N -1.74 1.80 0.00 1.67 -2.85 -1.26 -1.57 119.74 115.79 1z3r s LYS 98 Ca 0.48 -1.57 0.00 0.00 -1.00 0.00 0.00 55.97 53.88 1z3r s LYS 98 Cb -0.38 -1.91 0.00 0.00 -2.06 0.00 0.00 37.83 33.47 1z3r s LYS 98 CO 0.51 0.37 0.00 0.41 0.10 0.00 0.00 175.35 176.74