#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zdx s GLN 26 N 0.00 3.23 0.00 1.61 2.00 -1.26 -1.60 119.66 123.63 1zdx s GLN 26 Ca 0.00 0.63 0.00 0.00 -2.00 0.00 0.00 55.36 53.99 1zdx s GLN 26 Cb 0.00 -4.16 0.00 0.00 0.80 0.00 0.00 33.01 29.65 1zdx s GLN 26 CO 0.00 -2.02 0.47 -0.85 -0.50 0.00 0.00 175.29 172.39 1zdx n GLU 27 N 8.67 0.00 -3.64 1.67 0.28 -1.06 -4.97 120.64 121.59 1zdx n GLU 27 Ca 0.15 -0.35 -0.17 0.00 -0.16 0.00 0.00 57.16 56.63 1zdx n GLU 27 Cb 0.49 -0.23 -0.15 0.00 1.43 0.00 0.00 31.44 32.98 1zdx n GLU 27 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1zdx s LEU 28 N 0.00 -0.08 0.43 -1.84 1.43 -0.94 -5.03 118.68 112.66 1zdx s LEU 28 Ca 0.00 0.22 -0.21 0.00 -1.03 0.00 0.00 54.13 53.11 1zdx s LEU 28 Cb 0.00 0.29 -0.10 0.00 0.03 0.00 0.00 46.19 46.41 1zdx s LEU 28 CO 0.00 -0.26 0.98 -2.16 0.23 0.00 0.00 176.35 175.13 1zdx s PRO 29 N 2.30 4.15 1.09 1.29 0.04 -1.26 -4.53 135.00 138.08 1zdx s PRO 29 Ca 0.03 1.21 -0.12 0.00 0.04 0.00 0.00 61.00 62.17 1zdx s PRO 29 Cb -0.13 -2.22 0.24 0.00 0.04 0.00 0.00 34.50 32.43 1zdx s PRO 29 CO -0.07 -0.11 1.06 -1.25 0.04 0.00 0.00 177.00 176.66 1zdx s PRO 30 N -3.08 -0.32 0.00 0.56 0.04 -1.26 -5.01 135.00 125.93 1zdx s PRO 30 Ca 0.62 0.81 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1zdx s PRO 30 Cb -0.12 -1.63 0.00 0.00 0.04 0.00 0.00 34.50 32.79 1zdx s PRO 30 CO 0.16 -3.32 0.00 0.41 0.04 0.00 0.00 177.00 174.29 1zdx n GLY 31 N 0.16 -0.57 2.88 0.56 0.00 -1.19 -5.05 105.19 101.97 1zdx n GLY 31 Ca 0.04 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.19 1zdx n GLY 31 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1zdx s THR 32 N -3.71 0.28 -0.15 2.61 -1.32 -1.26 -1.54 115.64 110.55 1zdx s THR 32 Ca 0.00 -0.06 0.01 0.00 -1.21 0.00 0.00 61.69 60.44 1zdx s THR 32 Cb 0.00 -0.30 0.02 0.00 -1.51 0.00 0.00 72.50 70.70 1zdx s THR 32 CO 0.00 0.13 -0.18 -0.72 -2.21 0.00 0.00 174.62 171.64 1zdx s TYR 33 N 0.49 2.41 -0.13 9.09 -0.85 -0.45 -4.90 117.35 123.01 1zdx s TYR 33 Ca -0.05 -1.30 -0.29 0.00 -0.52 0.00 0.00 57.07 54.90 1zdx s TYR 33 Cb -0.08 -1.70 -0.03 0.00 0.38 0.00 0.00 41.96 40.53 1zdx s TYR 33 CO -0.01 -0.65 1.44 0.50 -1.52 0.00 0.00 175.55 175.31 1zdx s ARG 34 N 1.17 4.18 0.30 -3.49 3.00 -1.26 -0.51 118.95 122.34 1zdx s ARG 34 Ca -0.00 1.85 -0.07 0.00 -1.00 0.00 0.00 55.73 56.51 1zdx s ARG 34 Cb -0.14 -3.87 0.00 0.00 0.00 0.00 0.00 34.95 30.94 1zdx s ARG 34 CO -0.07 -0.81 0.47 0.14 0.00 0.00 0.00 175.30 175.03 1zdx s VAL 35 N 3.84 0.00 -0.30 7.11 -7.23 -0.85 -4.90 120.40 118.07 1zdx s VAL 35 Ca 0.63 -1.52 -0.09 0.00 -1.81 0.00 0.00 61.98 59.19 1zdx s VAL 35 Cb -0.26 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 1zdx s VAL 35 CO 0.22 0.00 0.13 -1.81 -0.31 0.00 0.00 175.10 173.33 1zdx s ASP 36 N -3.14 5.46 -0.06 4.85 1.01 0.20 -2.13 116.67 122.87 1zdx s ASP 36 Ca 0.27 -0.44 -0.30 0.00 0.71 0.00 0.00 52.55 52.79 1zdx s ASP 36 Cb -0.00 -1.98 -0.05 0.00 1.01 0.00 0.00 42.92 41.89 1zdx s ASP 36 CO 0.15 -0.15 1.60 -0.63 0.21 0.00 0.00 175.17 176.34 1zdx s ILE 37 N 1.61 3.65 -0.44 0.77 1.09 0.69 -0.50 121.20 128.08 1zdx s ILE 37 Ca 0.05 0.82 0.03 0.00 -1.10 0.00 0.00 60.65 60.44 1zdx s ILE 37 Cb -0.17 -3.53 0.12 0.00 -1.06 0.00 0.00 42.46 37.83 1zdx s ILE 37 CO 0.06 -0.07 0.20 -0.31 -0.10 0.00 0.00 174.94 174.72 1zdx s TYR 38 N 3.85 2.74 -0.03 3.97 1.51 0.55 -0.23 117.35 129.71 1zdx s TYR 38 Ca 0.71 -2.76 -0.24 0.00 -1.01 0.00 0.00 57.07 53.76 1zdx s TYR 38 Cb -0.32 -2.42 -0.04 0.00 -0.11 0.00 0.00 41.96 39.07 1zdx s TYR 38 CO 0.28 -0.80 0.74 -1.17 -1.11 0.00 0.00 175.55 173.49 1zdx s LEU 39 N 0.31 4.36 -1.45 -1.29 2.96 0.31 -0.94 118.68 122.92 1zdx s LEU 39 Ca 0.15 1.30 -0.02 0.00 -0.22 0.00 0.00 54.13 55.34 1zdx s LEU 39 Cb -0.24 -3.17 0.02 0.00 0.50 0.00 0.00 46.19 43.31 1zdx s LEU 39 CO -0.04 -0.10 0.43 0.59 -1.32 0.00 0.00 176.35 175.92 1zdx n ASN 40 N 3.55 -0.60 -1.18 3.68 3.02 -1.18 -1.09 115.26 121.47 1zdx n ASN 40 Ca -0.01 -1.03 -0.15 0.00 -0.03 0.00 0.00 54.58 53.37 1zdx n ASN 40 Cb 0.51 -2.91 -0.06 0.00 -0.61 0.00 0.00 39.78 36.71 1zdx n ASN 40 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1zdx n ASN 41 N -2.94 -4.80 -3.81 6.41 3.02 -1.26 -4.99 115.26 106.89 1zdx n ASN 41 Ca -0.26 0.36 -0.20 0.00 -0.03 0.00 0.00 54.58 54.45 1zdx n ASN 41 Cb 0.66 -3.64 -0.17 0.00 -0.61 0.00 0.00 39.78 36.03 1zdx n ASN 41 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1zdx s GLY 42 N -2.82 0.36 0.28 7.41 0.00 -0.25 -5.07 107.32 107.23 1zdx s GLY 42 Ca 0.00 0.03 -0.30 0.00 0.00 0.00 0.00 44.72 44.44 1zdx s GLY 42 CO 0.00 0.79 1.62 2.98 0.00 0.00 0.00 173.10 178.48 1zdx n TYR 43 N 4.51 2.85 0.00 1.90 9.36 -1.26 -0.53 117.16 134.00 1zdx n TYR 43 Ca -0.18 0.23 0.00 0.00 3.32 0.00 0.00 57.90 61.26 1zdx n TYR 43 Cb 0.50 -2.61 0.00 0.00 -0.63 0.00 0.00 39.34 36.60 1zdx n TYR 43 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 1zdx n MET 44 N 2.37 2.40 -3.79 2.98 2.81 0.68 -4.88 117.12 119.69 1zdx n MET 44 Ca 0.09 0.00 -0.07 0.00 -1.81 0.00 0.00 57.70 55.92 1zdx n MET 44 Cb 0.37 -0.80 -0.02 0.00 -0.71 0.00 0.00 33.22 32.05 1zdx n MET 44 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1zdx s ALA 45 N -1.46 -1.36 -0.19 3.04 0.00 -1.21 -4.88 121.76 115.70 1zdx s ALA 45 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.79 1zdx s ALA 45 Cb 0.00 0.80 0.09 0.00 0.00 0.00 0.00 23.12 24.01 1zdx s ALA 45 CO 0.00 -1.01 0.39 0.99 0.00 0.00 0.00 175.76 176.13 1zdx s THR 46 N -3.75 -0.60 -0.04 0.00 2.01 -1.26 -0.22 115.64 111.77 1zdx s THR 46 Ca 0.10 0.16 -0.31 0.00 0.31 0.00 0.00 61.69 61.95 1zdx s THR 46 Cb -0.04 -0.64 0.13 0.00 0.01 0.00 0.00 72.50 71.95 1zdx s THR 46 CO 0.04 0.06 1.33 0.00 -0.69 0.00 0.00 174.62 175.35 1zdx s ARG 47 N 2.57 0.30 -0.61 4.92 1.04 -0.91 -5.01 118.95 121.25 1zdx s ARG 47 Ca 0.00 -0.16 -0.26 0.00 -1.04 0.00 0.00 55.73 54.27 1zdx s ARG 47 Cb -0.12 0.10 -0.07 0.00 -2.04 0.00 0.00 34.95 32.82 1zdx s ARG 47 CO -0.12 -0.14 2.22 -0.51 -0.04 0.00 0.00 175.30 176.71 1zdx s ASP 48 N -2.97 4.63 -0.55 -2.89 1.01 -1.26 -2.01 116.67 112.63 1zdx s ASP 48 Ca 0.14 0.54 -0.25 0.00 0.71 0.00 0.00 52.55 53.69 1zdx s ASP 48 Cb 0.06 -2.52 0.04 0.00 1.01 0.00 0.00 42.92 41.50 1zdx s ASP 48 CO -0.05 -2.91 1.01 -0.69 0.21 0.00 0.00 175.17 172.75 1zdx s VAL 49 N 11.63 4.29 0.23 -1.27 1.01 0.33 -4.81 120.40 131.81 1zdx s VAL 49 Ca 0.86 0.52 -0.30 0.00 0.00 0.00 0.00 61.98 63.05 1zdx s VAL 49 Cb -0.14 -4.58 -0.10 0.00 0.00 0.00 0.00 36.38 31.56 1zdx s VAL 49 CO 0.19 -1.15 1.41 -0.89 0.00 0.00 0.00 175.10 174.67 1zdx s THR 50 N 4.22 2.78 0.03 3.92 2.01 -1.26 -1.34 115.64 125.99 1zdx s THR 50 Ca 0.35 0.65 0.08 0.00 0.31 0.00 0.00 61.69 63.08 1zdx s THR 50 Cb -0.11 -3.41 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 1zdx s THR 50 CO 0.22 0.10 -0.24 0.72 -0.69 0.00 0.00 174.62 174.73 1zdx s PHE 51 N 0.06 2.12 0.35 4.92 -0.71 -0.59 -0.27 117.98 123.86 1zdx s PHE 51 Ca 0.59 -0.40 0.07 0.00 -1.04 0.00 0.00 56.93 56.15 1zdx s PHE 51 Cb -0.41 -1.29 -0.01 0.00 -1.21 0.00 0.00 43.02 40.10 1zdx s PHE 51 CO 0.42 0.07 0.49 -0.80 -1.34 0.00 0.00 175.22 174.07 1zdx s ASN 52 N -1.04 5.92 0.49 1.98 0.02 0.32 -3.16 114.94 119.47 1zdx s ASN 52 Ca 0.10 -0.20 -0.22 0.00 -1.02 0.00 0.00 52.86 51.52 1zdx s ASN 52 Cb -0.09 -1.16 -0.08 0.00 0.02 0.00 0.00 41.25 39.94 1zdx s ASN 52 CO 0.01 -0.49 1.05 0.41 0.02 0.00 0.00 177.10 178.10 1zdx n THR 53 N -1.69 2.97 -2.13 1.60 -1.04 -1.26 -1.15 114.28 111.58 1zdx n THR 53 Ca 0.01 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.52 1zdx n THR 53 Cb 0.58 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 67.84 1zdx n THR 53 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1zdx n GLY 54 N 1.14 2.78 2.90 3.41 0.00 -0.81 -4.50 105.19 110.11 1zdx n GLY 54 Ca 0.10 -0.75 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 1zdx n GLY 54 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zdx s ASP 55 N 1.90 -0.08 0.00 1.61 3.68 -1.26 -4.31 116.67 118.21 1zdx s ASP 55 Ca 0.00 0.25 0.00 0.00 2.13 0.00 0.00 52.55 54.93 1zdx s ASP 55 Cb 0.00 0.14 0.00 0.00 -1.45 0.00 0.00 42.92 41.61 1zdx s ASP 55 CO 0.00 -0.13 0.00 -1.20 0.13 0.00 0.00 175.17 173.97 1zdx n SER 56 N 4.09 0.00 0.01 -0.34 7.64 -1.26 -4.77 113.62 118.99 1zdx n SER 56 Ca -0.25 -0.56 0.07 0.00 1.01 0.00 0.00 58.87 59.13 1zdx n SER 56 Cb 0.52 0.00 0.47 0.00 -1.01 0.00 0.00 64.21 64.19 1zdx n SER 56 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1zdx h GLU 57 N 0.00 0.43 0.00 1.43 4.39 -1.94 -3.07 114.58 115.82 1zdx h GLU 57 Ca 0.00 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1zdx h GLU 57 Cb 0.00 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1zdx h GLU 57 CO 0.00 0.28 -1.64 1.04 -1.16 0.00 0.00 179.01 177.54 1zdx n GLN 58 N -4.48 0.59 -0.65 2.33 6.02 -1.24 -0.35 117.38 119.59 1zdx n GLN 58 Ca 0.04 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.93 1zdx n GLN 58 Cb 0.14 -1.60 0.00 0.00 1.02 0.00 0.00 30.24 29.80 1zdx n GLN 58 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1zdx n GLY 59 N 1.26 0.65 3.22 1.08 0.00 -0.63 -2.21 105.19 108.57 1zdx n GLY 59 Ca -0.02 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.72 1zdx n GLY 59 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1zdx s ILE 60 N -2.00 0.13 -0.02 -0.61 -4.36 -1.26 -1.92 121.20 111.17 1zdx s ILE 60 Ca 0.00 -1.09 -0.02 0.00 -0.26 0.00 0.00 60.65 59.28 1zdx s ILE 60 Cb 0.00 -1.31 0.00 0.00 1.25 0.00 0.00 42.46 42.41 1zdx s ILE 60 CO 0.00 -0.60 0.05 0.68 0.24 0.00 0.00 174.94 175.31 1zdx s VAL 61 N -3.82 0.01 0.83 8.37 -7.23 -0.30 -4.71 120.40 113.55 1zdx s VAL 61 Ca 0.04 -0.10 -0.13 0.00 -1.81 0.00 0.00 61.98 59.99 1zdx s VAL 61 Cb 0.04 -0.12 0.10 0.00 0.56 0.00 0.00 36.38 36.96 1zdx s VAL 61 CO -0.11 -0.05 1.19 -2.84 -0.31 0.00 0.00 175.10 172.98 1zdx s PRO 62 N -0.14 1.51 -1.28 4.82 0.02 -1.26 -0.52 135.00 138.14 1zdx s PRO 62 Ca -0.02 1.72 -0.09 0.00 0.02 0.00 0.00 61.00 62.63 1zdx s PRO 62 Cb -0.01 -1.77 0.17 0.00 0.02 0.00 0.00 34.50 32.91 1zdx s PRO 62 CO 0.00 -2.30 1.87 0.00 -0.33 0.00 0.00 177.00 176.24 1zdx s LEU 64 N -0.14 4.44 0.44 0.00 1.02 -1.26 -4.87 118.68 118.31 1zdx s LEU 64 Ca 0.40 1.74 0.08 0.00 0.02 0.00 0.00 54.13 56.37 1zdx s LEU 64 Cb 0.09 -3.58 0.00 0.00 0.02 0.00 0.00 46.19 42.73 1zdx s LEU 64 CO 0.00 -0.15 0.49 0.42 0.02 0.00 0.00 176.35 177.13 1zdx s THR 65 N 0.43 2.67 0.17 5.49 -4.23 -1.26 -0.88 115.64 118.04 1zdx s THR 65 Ca 0.49 -1.19 -0.18 0.00 -1.18 0.00 0.00 61.69 59.63 1zdx s THR 65 Cb -0.22 -2.86 0.11 0.00 1.34 0.00 0.00 72.50 70.86 1zdx s THR 65 CO 0.29 0.00 1.64 -0.09 -0.54 0.00 0.00 174.62 175.92 1zdx h ARG 66 N 0.78 -0.10 -0.48 3.99 9.65 -1.73 -1.95 114.38 124.55 1zdx h ARG 66 Ca -0.39 0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.43 1zdx h ARG 66 Cb 1.28 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.86 1zdx h ARG 66 CO 0.51 -0.06 0.04 0.00 2.80 0.00 0.00 179.97 183.26 1zdx h ALA 67 N 1.22 0.64 -0.29 2.80 0.00 -1.82 -0.75 119.26 121.05 1zdx h ALA 67 Ca 0.21 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1zdx h ALA 67 Cb 0.42 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1zdx h ALA 67 CO -0.49 0.40 -0.14 1.96 0.00 0.00 0.00 179.25 180.98 1zdx h GLN 68 N 0.68 -0.10 -0.33 0.00 1.08 -1.82 0.80 115.11 115.41 1zdx h GLN 68 Ca 0.14 0.01 -0.16 0.00 -1.45 0.00 0.00 58.65 57.19 1zdx h GLN 68 Cb 0.44 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.89 1zdx h GLN 68 CO 0.02 -0.07 -0.41 -0.07 -0.95 0.00 0.00 178.83 177.35 1zdx h LEU 69 N -0.10 0.93 -1.73 1.46 3.38 -1.03 -1.88 115.31 116.33 1zdx h LEU 69 Ca 0.15 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1zdx h LEU 69 Cb 0.33 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1zdx h LEU 69 CO -0.36 1.24 0.00 0.00 0.09 0.00 0.00 178.44 179.41 1zdx h ALA 70 N 0.72 1.00 0.00 1.53 0.00 -0.89 -0.96 119.26 120.66 1zdx h ALA 70 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1zdx h ALA 70 Cb 1.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1zdx h ALA 70 CO 0.10 0.00 -0.06 0.45 0.00 0.00 0.00 179.25 179.74 1zdx n SER 71 N -2.89 0.69 -0.00 0.00 2.88 0.25 -2.88 113.62 111.67 1zdx n SER 71 Ca -0.00 0.52 0.07 0.00 -1.33 0.00 0.00 58.87 58.13 1zdx n SER 71 Cb 0.21 -0.66 -0.09 0.00 -0.75 0.00 0.00 64.21 62.92 1zdx n SER 71 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1zdx n MET 72 N -2.14 1.88 0.00 -1.46 0.00 -0.94 -4.85 117.12 109.61 1zdx n MET 72 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.74 1zdx n MET 72 Cb 0.42 -1.23 0.00 0.00 0.00 0.00 0.00 33.22 32.41 1zdx n MET 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1zdx n GLY 73 N 1.38 1.26 3.69 3.17 0.00 -0.83 -3.18 105.19 110.68 1zdx n GLY 73 Ca 0.02 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.60 1zdx n GLY 73 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1zdx n LEU 74 N 0.00 3.46 -4.55 0.99 7.94 -0.43 -2.19 117.00 122.21 1zdx n LEU 74 Ca 0.00 1.12 -0.41 0.00 -1.11 0.00 0.00 56.01 55.61 1zdx n LEU 74 Cb 0.00 -1.48 -0.03 0.00 0.53 0.00 0.00 43.42 42.44 1zdx n LEU 74 CO 0.00 -0.22 1.32 0.21 -1.11 0.00 0.00 177.39 177.59 1zdx s ASN 75 N 0.62 6.26 0.60 1.96 3.84 -0.57 -4.23 114.94 123.42 1zdx s ASN 75 Ca 0.71 -0.87 0.31 0.00 0.21 0.00 0.00 52.86 53.23 1zdx s ASN 75 Cb -0.61 -2.56 1.82 0.00 -0.55 0.00 0.00 41.25 39.35 1zdx s ASN 75 CO 0.44 -1.73 2.20 0.71 -2.79 0.00 0.00 177.10 175.93 1zdx h THR 76 N 6.41 0.44 0.02 -5.21 1.35 -1.91 -2.04 112.91 111.97 1zdx h THR 76 Ca -0.06 0.00 -0.21 0.00 -0.55 0.00 0.00 66.41 65.59 1zdx h THR 76 Cb 1.03 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 68.38 1zdx h THR 76 CO 1.34 0.00 -0.94 0.00 -0.25 0.00 0.00 175.52 175.67 1zdx h ALA 77 N 1.90 0.44 0.00 6.62 0.00 -1.96 -3.13 119.26 123.13 1zdx h ALA 77 Ca 0.03 -0.77 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 1zdx h ALA 77 Cb 0.19 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1zdx h ALA 77 CO -0.00 0.97 -0.12 0.77 0.00 0.00 0.00 179.25 180.86 1zdx h SER 78 N 0.09 0.00 -2.96 0.00 0.02 -1.75 -3.32 113.55 105.64 1zdx h SER 78 Ca -0.05 0.00 -0.72 0.00 -0.84 0.00 0.00 61.79 60.18 1zdx h SER 78 Cb 1.60 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.94 1zdx h SER 78 CO 0.14 0.12 0.42 -0.69 -1.14 0.00 0.00 176.83 175.69 1zdx s VAL 79 N -4.32 5.00 0.17 2.27 1.01 -1.21 -5.02 120.40 118.30 1zdx s VAL 79 Ca -0.03 -1.64 -0.33 0.00 0.00 0.00 0.00 61.98 59.97 1zdx s VAL 79 Cb 0.14 -4.61 -0.13 0.00 0.00 0.00 0.00 36.38 31.78 1zdx s VAL 79 CO 0.60 -1.27 1.63 0.00 0.00 0.00 0.00 175.10 176.07 1zdx n ALA 80 N 5.78 1.83 -0.66 5.51 0.00 -1.25 -0.99 120.51 130.73 1zdx n ALA 80 Ca 0.11 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1zdx n ALA 80 Cb 0.47 -2.41 0.00 0.00 0.00 0.00 0.00 19.45 17.50 1zdx n ALA 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1zdx n GLY 81 N 3.62 0.75 0.13 0.00 0.00 -1.26 -4.88 105.19 103.55 1zdx n GLY 81 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 1zdx n GLY 81 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1zdx n MET 82 N -2.32 0.66 0.00 1.61 0.00 -0.16 -4.71 117.12 112.20 1zdx n MET 82 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 57.70 57.98 1zdx n MET 82 Cb 0.00 -1.61 0.00 0.00 0.00 0.00 0.00 33.22 31.61 1zdx n MET 82 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1zdx n ASN 83 N -3.71 0.00 0.00 6.12 6.94 -1.19 -0.90 115.26 122.52 1zdx n ASN 83 Ca -0.41 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.15 1zdx n ASN 83 Cb 0.94 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 38.36 1zdx n ASN 83 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1zdx n LEU 84 N -0.20 0.04 -4.85 -4.53 -0.00 -1.26 -5.04 117.00 101.15 1zdx n LEU 84 Ca 0.00 -0.12 -0.31 0.00 -0.00 0.00 0.00 56.01 55.58 1zdx n LEU 84 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 1zdx n LEU 84 CO 0.00 0.01 0.71 -0.76 -0.00 0.00 0.00 177.39 177.35 1zdx s LEU 85 N -0.32 3.27 0.83 1.47 1.43 -0.08 -5.03 118.68 120.25 1zdx s LEU 85 Ca 0.00 1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 54.49 1zdx s LEU 85 Cb 0.00 -4.48 0.10 0.00 0.03 0.00 0.00 46.19 41.83 1zdx s LEU 85 CO 0.00 -0.98 1.15 0.00 0.23 0.00 0.00 176.35 176.74 1zdx s ALA 86 N -3.05 1.82 -2.00 4.21 0.00 -1.26 -4.84 121.76 116.64 1zdx s ALA 86 Ca 0.57 0.57 0.21 0.00 0.00 0.00 0.00 51.96 53.31 1zdx s ALA 86 Cb -0.12 -3.41 1.27 0.00 0.00 0.00 0.00 23.12 20.86 1zdx s ALA 86 CO 0.51 -2.30 1.66 -0.25 0.00 0.00 0.00 175.76 175.38 1zdx n ASP 87 N -3.69 0.00 -2.98 0.00 8.00 -1.26 -3.24 116.55 113.38 1zdx n ASP 87 Ca 0.11 -0.77 -0.15 0.00 0.71 0.00 0.00 54.79 54.69 1zdx n ASP 87 Cb 0.52 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.62 1zdx n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1zdx n ASP 88 N -0.96 -1.02 -4.09 -2.24 2.03 -1.26 -4.51 116.55 104.49 1zdx n ASP 88 Ca 0.16 -3.15 -0.24 0.00 0.52 0.00 0.00 54.79 52.08 1zdx n ASP 88 Cb 0.07 0.57 -0.16 0.00 -0.72 0.00 0.00 41.12 40.89 1zdx n ASP 88 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zdx s ALA 89 N -0.67 1.26 -0.34 -1.67 0.00 -1.20 -5.09 121.76 114.05 1zdx s ALA 89 Ca 0.33 -0.57 -0.28 0.00 0.00 0.00 0.00 51.96 51.43 1zdx s ALA 89 Cb 0.25 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 1zdx s ALA 89 CO -0.13 0.24 1.95 0.00 0.00 0.00 0.00 175.76 177.83 1zdx s VAL 91 N 7.83 3.10 -1.34 0.00 1.01 -0.05 -4.96 120.40 126.00 1zdx s VAL 91 Ca 0.85 1.02 -0.15 0.00 0.00 0.00 0.00 61.98 63.70 1zdx s VAL 91 Cb -0.24 -3.65 0.08 0.00 0.00 0.00 0.00 36.38 32.57 1zdx s VAL 91 CO 0.32 0.21 1.86 -0.81 0.00 0.00 0.00 175.10 176.68 1zdx n PRO 92 N 1.61 3.15 0.01 2.72 -0.04 -1.26 -4.60 135.00 136.59 1zdx n PRO 92 Ca 0.02 -3.17 -0.10 0.00 -0.04 0.00 0.00 63.50 60.22 1zdx n PRO 92 Cb 0.43 -3.32 -0.03 0.00 -0.04 0.00 0.00 33.50 30.54 1zdx n PRO 92 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1zdx h LEU 93 N 10.96 -0.68 0.00 1.53 7.12 -1.92 -0.20 115.31 132.12 1zdx h LEU 93 Ca 0.46 0.11 0.00 0.00 0.13 0.00 0.00 57.88 58.59 1zdx h LEU 93 Cb 0.78 0.30 0.00 0.00 -0.53 0.00 0.00 40.66 41.21 1zdx h LEU 93 CO 1.58 -0.27 0.00 0.35 -0.13 0.00 0.00 178.44 179.97 1zdx n THR 94 N -5.35 0.73 -0.09 1.05 -2.24 -1.26 -1.02 114.28 106.10 1zdx n THR 94 Ca -0.03 0.18 -0.17 0.00 -2.27 0.00 0.00 64.05 61.76 1zdx n THR 94 Cb 0.27 -0.97 -0.07 0.00 -2.10 0.00 0.00 70.33 67.46 1zdx n THR 94 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1zdx n THR 95 N -1.33 0.96 -0.01 4.28 -1.04 -0.90 -4.78 114.28 111.46 1zdx n THR 95 Ca 0.06 -0.27 -0.12 0.00 -2.04 0.00 0.00 64.05 61.67 1zdx n THR 95 Cb 0.11 -1.58 -0.08 0.00 -1.82 0.00 0.00 70.33 66.97 1zdx n THR 95 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 1zdx h MET 96 N -0.48 0.09 -5.94 -2.82 2.86 -0.82 -3.36 114.93 104.47 1zdx h MET 96 Ca -0.43 -0.03 -0.60 0.00 -2.06 0.00 0.00 59.70 56.59 1zdx h MET 96 Cb 1.43 -0.01 -0.09 0.00 0.06 0.00 0.00 31.60 32.99 1zdx h MET 96 CO -0.22 0.35 0.53 0.08 1.06 0.00 0.00 176.91 178.71 1zdx s VAL 97 N -5.03 4.70 0.84 -2.22 1.01 -0.19 -5.01 120.40 114.49 1zdx s VAL 97 Ca -0.15 1.31 -0.10 0.00 0.00 0.00 0.00 61.98 63.04 1zdx s VAL 97 Cb 0.04 -4.24 0.10 0.00 0.00 0.00 0.00 36.38 32.28 1zdx s VAL 97 CO 0.68 -0.35 1.12 -1.58 0.00 0.00 0.00 175.10 174.98 1zdx s GLN 98 N 3.19 1.69 0.00 2.72 0.74 -1.26 -3.90 119.66 122.84 1zdx s GLN 98 Ca 0.36 1.35 0.00 0.00 0.05 0.00 0.00 55.36 57.12 1zdx s GLN 98 Cb -0.13 -1.82 0.00 0.00 1.10 0.00 0.00 33.01 32.16 1zdx s GLN 98 CO 0.14 -2.10 0.00 -3.47 -0.55 0.00 0.00 175.29 169.31 1zdx n ASP 99 N -3.84 0.00 -4.76 6.67 2.03 -1.26 -4.52 116.55 110.87 1zdx n ASP 99 Ca 0.10 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 55.04 1zdx n ASP 99 Cb 0.53 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.94 1zdx n ASP 99 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zdx s ALA 100 N 0.00 2.86 -0.02 -1.67 0.00 -1.25 -4.85 121.76 116.83 1zdx s ALA 100 Ca 0.00 1.07 -0.05 0.00 0.00 0.00 0.00 51.96 52.98 1zdx s ALA 100 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1zdx s ALA 100 CO 0.00 -0.96 0.10 0.95 0.00 0.00 0.00 175.76 175.85 1zdx s THR 101 N -1.48 0.05 -0.62 0.00 -4.23 -1.07 -4.59 115.64 103.70 1zdx s THR 101 Ca 0.68 -0.41 0.05 0.00 -1.18 0.00 0.00 61.69 60.83 1zdx s THR 101 Cb -0.32 -0.28 0.16 0.00 1.34 0.00 0.00 72.50 73.39 1zdx s THR 101 CO 0.38 -0.23 0.42 0.00 -0.54 0.00 0.00 174.62 174.66 1zdx s ALA 102 N -0.74 3.37 -0.40 3.99 0.00 -1.26 -1.91 121.76 124.81 1zdx s ALA 102 Ca -0.08 -3.52 -0.15 0.00 0.00 0.00 0.00 51.96 48.22 1zdx s ALA 102 Cb -0.05 -2.09 0.01 0.00 0.00 0.00 0.00 23.12 21.00 1zdx s ALA 102 CO 0.00 -2.07 0.29 -1.58 0.00 0.00 0.00 175.76 172.41 1zdx s HIS 103 N -0.98 3.24 -0.18 0.00 5.04 -0.75 -4.84 115.29 116.82 1zdx s HIS 103 Ca 0.24 -0.51 -0.29 0.00 -1.54 0.00 0.00 55.06 52.96 1zdx s HIS 103 Cb -0.09 -2.57 -0.00 0.00 0.04 0.00 0.00 32.58 29.96 1zdx s HIS 103 CO -0.13 -0.54 1.09 -1.17 -2.34 0.00 0.00 174.74 171.65 1zdx s LEU 104 N 1.70 4.15 -0.82 8.88 2.96 -1.26 -0.45 118.68 133.84 1zdx s LEU 104 Ca 0.05 1.50 -0.08 0.00 -0.22 0.00 0.00 54.13 55.39 1zdx s LEU 104 Cb -0.19 -3.54 0.21 0.00 0.50 0.00 0.00 46.19 43.17 1zdx s LEU 104 CO 0.10 -0.65 0.72 -0.62 -1.32 0.00 0.00 176.35 174.59 1zdx s ASP 105 N 1.36 6.23 0.57 3.68 3.68 0.50 -4.90 116.67 127.80 1zdx s ASP 105 Ca 0.48 -3.08 0.26 0.00 2.13 0.00 0.00 52.55 52.34 1zdx s ASP 105 Cb -0.18 -2.04 1.62 0.00 -1.45 0.00 0.00 42.92 40.87 1zdx s ASP 105 CO 0.11 -0.39 2.18 0.58 0.13 0.00 0.00 175.17 177.78 1zdx h VAL 106 N 4.62 0.65 0.00 1.11 2.07 -1.94 0.17 116.25 122.93 1zdx h VAL 106 Ca 0.09 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.61 1zdx h VAL 106 Cb 0.95 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 1zdx h VAL 106 CO 0.80 0.00 0.00 0.61 0.02 0.00 0.00 177.57 179.00 1zdx n GLY 107 N -1.41 -0.35 0.44 2.17 0.00 -1.26 -1.30 105.19 103.47 1zdx n GLY 107 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1zdx n GLY 107 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1zdx n GLN 108 N -1.01 0.00 -3.92 1.61 -0.06 -0.79 -5.00 117.38 108.21 1zdx n GLN 108 Ca 0.08 -0.75 -0.29 0.00 -2.00 0.00 0.00 57.00 54.04 1zdx n GLN 108 Cb 0.04 -0.40 -0.03 0.00 -4.06 0.00 0.00 30.24 25.79 1zdx n GLN 108 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1zdx n GLN 109 N 0.00 -0.67 -3.96 3.69 6.02 -0.26 -4.89 117.38 117.31 1zdx n GLN 109 Ca 0.00 -0.02 -0.31 0.00 -0.01 0.00 0.00 57.00 56.66 1zdx n GLN 109 Cb 0.64 -2.04 -0.15 0.00 1.02 0.00 0.00 30.24 29.71 1zdx n GLN 109 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1zdx s ARG 110 N -6.55 1.61 -0.99 -1.09 3.52 0.43 -0.63 118.95 115.24 1zdx s ARG 110 Ca 0.19 -1.27 -0.23 0.00 -0.13 0.00 0.00 55.73 54.29 1zdx s ARG 110 Cb -0.11 -2.72 0.04 0.00 -1.56 0.00 0.00 34.95 30.60 1zdx s ARG 110 CO 0.72 -0.71 1.46 -1.17 -0.81 0.00 0.00 175.30 174.79 1zdx s LEU 111 N 1.25 3.46 0.32 -0.88 2.96 0.35 -0.37 118.68 125.77 1zdx s LEU 111 Ca -0.01 -1.34 -0.29 0.00 -0.22 0.00 0.00 54.13 52.26 1zdx s LEU 111 Cb -0.19 -2.57 -0.11 0.00 0.50 0.00 0.00 46.19 43.82 1zdx s LEU 111 CO -0.08 -1.58 1.58 0.20 -1.32 0.00 0.00 176.35 175.14 1zdx s ASN 112 N 5.01 6.33 -0.44 3.68 0.01 0.41 -0.33 114.94 129.60 1zdx s ASN 112 Ca 0.46 3.01 0.05 0.00 -0.71 0.00 0.00 52.86 55.67 1zdx s ASN 112 Cb -0.01 -2.65 0.18 0.00 0.41 0.00 0.00 41.25 39.18 1zdx s ASN 112 CO -0.08 -0.92 0.45 -0.11 -1.51 0.00 0.00 177.10 174.93 1zdx n LEU 113 N 1.67 -1.28 -4.85 0.60 -0.00 -0.12 -1.80 117.00 111.22 1zdx n LEU 113 Ca 0.06 -3.99 -0.32 0.00 -0.00 0.00 0.00 56.01 51.76 1zdx n LEU 113 Cb 0.38 0.61 -0.06 0.00 -0.00 0.00 0.00 43.42 44.35 1zdx n LEU 113 CO 0.64 1.89 0.41 -0.89 -0.00 0.00 0.00 177.39 179.44 1zdx s THR 114 N 0.25 4.69 -0.02 1.96 2.01 -0.80 -3.08 115.64 120.64 1zdx s THR 114 Ca 0.32 0.92 -0.10 0.00 0.31 0.00 0.00 61.69 63.15 1zdx s THR 114 Cb 0.03 -3.61 0.01 0.00 0.01 0.00 0.00 72.50 68.94 1zdx s THR 114 CO -0.16 -0.20 0.22 -0.63 -0.69 0.00 0.00 174.62 173.16 1zdx s ILE 115 N -2.00 0.06 0.12 1.82 1.01 -1.26 -2.61 121.20 118.34 1zdx s ILE 115 Ca 0.54 -0.46 -0.31 0.00 0.00 0.00 0.00 60.65 60.42 1zdx s ILE 115 Cb -0.10 -0.47 -0.07 0.00 0.01 0.00 0.00 42.46 41.82 1zdx s ILE 115 CO 0.18 -0.25 1.29 -2.16 0.00 0.00 0.00 174.94 174.00 1zdx s PRO 116 N -1.01 4.39 0.28 2.79 0.04 -1.26 -4.90 135.00 135.33 1zdx s PRO 116 Ca -0.11 1.95 0.17 0.00 0.04 0.00 0.00 61.00 63.05 1zdx s PRO 116 Cb -0.05 -3.27 0.95 0.00 0.04 0.00 0.00 34.50 32.16 1zdx s PRO 116 CO 0.02 -0.30 1.51 1.04 0.04 0.00 0.00 177.00 179.31 1zdx n GLN 117 N 3.51 0.11 0.14 4.56 1.13 -1.26 -1.04 117.38 124.53 1zdx n GLN 117 Ca 0.09 0.60 0.18 0.00 -1.94 0.00 0.00 57.00 55.93 1zdx n GLN 117 Cb 0.44 -1.94 0.76 0.00 0.11 0.00 0.00 30.24 29.62 1zdx n GLN 117 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1zdx h ALA 118 N 1.83 2.06 -0.71 -1.58 0.00 -2.02 -2.48 119.26 116.36 1zdx h ALA 118 Ca 0.00 -0.01 -0.48 0.00 0.00 0.00 0.00 54.91 54.42 1zdx h ALA 118 Cb 0.12 0.02 -0.31 0.00 0.00 0.00 0.00 17.79 17.63 1zdx h ALA 118 CO 0.00 -0.43 -0.19 1.19 0.00 0.00 0.00 179.25 179.82 1zdx n PHE 119 N -3.99 2.42 -4.67 0.00 3.01 -0.21 -4.93 117.46 109.09 1zdx n PHE 119 Ca 0.04 -2.27 -0.26 0.00 1.01 0.00 0.00 57.45 55.98 1zdx n PHE 119 Cb 0.43 -0.67 -0.17 0.00 -0.01 0.00 0.00 39.48 39.07 1zdx n PHE 119 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1zdx s MET 120 N -3.57 1.91 0.00 -1.08 -1.94 -0.93 -1.52 119.30 112.17 1zdx s MET 120 Ca 0.53 -0.48 -0.01 0.00 -1.71 0.00 0.00 55.69 54.01 1zdx s MET 120 Cb 0.44 -1.55 -0.06 0.00 2.01 0.00 0.00 34.83 35.66 1zdx s MET 120 CO 0.01 0.04 1.98 0.45 -0.01 0.00 0.00 175.02 177.50 1zdx n SER 121 N 3.79 4.19 -3.39 3.03 2.88 -0.93 -4.72 113.62 118.46 1zdx n SER 121 Ca -0.22 -2.16 -0.23 0.00 -1.33 0.00 0.00 58.87 54.93 1zdx n SER 121 Cb 0.52 -0.96 -0.01 0.00 -0.75 0.00 0.00 64.21 63.01 1zdx n SER 121 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1zdx n ASN 122 N 1.89 -3.45 0.00 -3.46 3.02 -1.26 -4.72 115.26 107.29 1zdx n ASN 122 Ca 0.10 -0.40 0.00 0.00 -0.03 0.00 0.00 54.58 54.25 1zdx n ASN 122 Cb 0.49 -2.87 0.00 0.00 -0.61 0.00 0.00 39.78 36.79 1zdx n ASN 122 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1zdx n ARG 123 N -3.68 0.00 -3.90 3.52 5.12 -1.26 -5.02 116.66 111.44 1zdx n ARG 123 Ca -0.01 0.00 -0.30 0.00 -1.93 0.00 0.00 57.85 55.62 1zdx n ARG 123 Cb 0.53 -0.43 -0.00 0.00 -1.16 0.00 0.00 32.46 31.40 1zdx n ARG 123 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1zdx n ALA 124 N -2.55 -2.24 -0.97 7.54 0.00 -1.26 -5.08 120.51 115.95 1zdx n ALA 124 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1zdx n ALA 124 Cb 0.28 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.34 1zdx n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04