#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 0.45 0.00 1.61 2.00 -1.26 -4.61 119.66 117.85 1zdx s GLN 26 Ca 0.00 0.80 0.00 0.00 -2.00 0.00 0.00 55.36 54.16 1zdx s GLN 26 Cb 0.00 0.05 0.00 0.00 0.80 0.00 0.00 33.01 33.86 1zdx s GLN 26 CO 0.00 -0.59 0.74 -0.85 -0.50 0.00 0.00 175.29 174.09 1zdx n GLU 27 N 5.40 0.00 -3.15 1.67 0.00 -0.71 -5.01 120.64 118.83 1zdx n GLU 27 Ca -0.03 -0.73 0.04 0.00 0.00 0.00 0.00 57.16 56.44 1zdx n GLU 27 Cb 0.50 -0.48 -0.01 0.00 0.00 0.00 0.00 31.44 31.45 1zdx n GLU 27 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1zdx s LEU 28 N 0.00 -1.22 0.64 -1.84 0.20 -0.72 -4.99 118.68 110.74 1zdx s LEU 28 Ca 0.00 0.68 -0.12 0.00 0.69 0.00 0.00 54.13 55.38 1zdx s LEU 28 Cb 0.00 1.99 -0.02 0.00 -0.43 0.00 0.00 46.19 47.73 1zdx s LEU 28 CO 0.00 -0.23 1.04 -2.16 -0.29 0.00 0.00 176.35 174.71 1zdx s PRO 29 N 2.88 3.29 1.14 0.98 0.04 -1.26 -4.46 135.00 137.61 1zdx s PRO 29 Ca 0.16 0.93 -0.18 0.00 0.04 0.00 0.00 61.00 61.94 1zdx s PRO 29 Cb -0.13 -2.04 0.26 0.00 0.04 0.00 0.00 34.50 32.63 1zdx s PRO 29 CO -0.20 -0.82 1.18 -1.25 0.04 0.00 0.00 177.00 175.95 1zdx s PRO 30 N -4.85 -0.71 0.00 0.56 0.04 -1.26 -5.01 135.00 123.77 1zdx s PRO 30 Ca 0.58 -0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.43 1zdx s PRO 30 Cb -0.13 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.74 1zdx s PRO 30 CO 0.50 -3.35 0.00 0.41 0.04 0.00 0.00 177.00 174.60 1zdx n GLY 31 N -1.80 0.09 3.13 0.56 0.00 -1.24 -5.05 105.19 100.87 1zdx n GLY 31 Ca 0.14 -0.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 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 -4.00 0.98 -0.03 2.61 -1.32 -1.26 -1.28 115.64 111.34 1zdx s THR 32 Ca 0.00 -1.09 0.03 0.00 -1.21 0.00 0.00 61.69 59.42 1zdx s THR 32 Cb 0.00 -0.93 0.00 0.00 -1.51 0.00 0.00 72.50 70.06 1zdx s THR 32 CO 0.00 -0.14 -0.11 -0.72 -2.21 0.00 0.00 174.62 171.43 1zdx s TYR 33 N -1.06 1.17 0.51 9.09 -0.85 -1.26 -4.99 117.35 119.97 1zdx s TYR 33 Ca -0.02 -0.31 -0.17 0.00 -0.52 0.00 0.00 57.07 56.05 1zdx s TYR 33 Cb -0.09 -0.82 -0.08 0.00 0.38 0.00 0.00 41.96 41.35 1zdx s TYR 33 CO 0.01 -0.12 0.99 -0.98 -1.52 0.00 0.00 175.55 173.93 1zdx s ARG 34 N 0.17 3.89 0.14 -3.49 1.70 -1.26 -0.66 118.95 119.44 1zdx s ARG 34 Ca -0.04 1.04 -0.25 0.00 -0.47 0.00 0.00 55.73 56.01 1zdx s ARG 34 Cb -0.10 -2.12 0.08 0.00 -0.57 0.00 0.00 34.95 32.24 1zdx s ARG 34 CO 0.01 -0.32 1.04 0.14 -1.08 0.00 0.00 175.30 175.08 1zdx s VAL 35 N -2.50 0.00 -0.42 4.99 -7.23 -1.00 -4.90 120.40 109.34 1zdx s VAL 35 Ca 0.60 -0.57 -0.18 0.00 -1.81 0.00 0.00 61.98 60.02 1zdx s VAL 35 Cb -0.11 -2.27 0.02 0.00 0.56 0.00 0.00 36.38 34.58 1zdx s VAL 35 CO 0.29 0.00 0.49 -1.81 -0.31 0.00 0.00 175.10 173.76 1zdx s ASP 36 N -3.10 6.23 0.08 4.85 1.01 0.25 -2.92 116.67 123.08 1zdx s ASP 36 Ca 0.16 -0.57 -0.31 0.00 0.71 0.00 0.00 52.55 52.54 1zdx s ASP 36 Cb -0.01 -2.25 -0.08 0.00 1.01 0.00 0.00 42.92 41.60 1zdx s ASP 36 CO 0.02 -0.63 1.44 -0.63 0.21 0.00 0.00 175.17 175.59 1zdx s ILE 37 N 2.31 3.32 -0.55 0.77 1.09 0.23 -0.45 121.20 127.92 1zdx s ILE 37 Ca 0.15 0.88 0.04 0.00 -1.10 0.00 0.00 60.65 60.62 1zdx s ILE 37 Cb -0.16 -3.56 0.16 0.00 -1.06 0.00 0.00 42.46 37.84 1zdx s ILE 37 CO 0.15 0.04 0.39 -0.31 -0.10 0.00 0.00 174.94 175.11 1zdx s TYR 38 N 1.62 2.32 0.00 3.97 1.51 0.57 -0.38 117.35 126.96 1zdx s TYR 38 Ca 0.66 -2.79 -0.30 0.00 -1.01 0.00 0.00 57.07 53.63 1zdx s TYR 38 Cb -0.36 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.60 1zdx s TYR 38 CO 0.30 -0.70 0.99 -1.17 -1.11 0.00 0.00 175.55 173.86 1zdx s LEU 39 N -0.57 4.37 -1.62 -1.29 2.96 0.44 -0.24 118.68 122.72 1zdx s LEU 39 Ca 0.27 1.68 -0.16 0.00 -0.22 0.00 0.00 54.13 55.70 1zdx s LEU 39 Cb -0.04 -3.57 0.12 0.00 0.50 0.00 0.00 46.19 43.20 1zdx s LEU 39 CO -0.15 -0.27 0.85 0.59 -1.32 0.00 0.00 176.35 176.04 1zdx n ASN 40 N 3.91 -3.71 -0.02 3.68 3.02 -0.19 -0.91 115.26 121.04 1zdx n ASN 40 Ca 0.06 -0.92 -0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1zdx n ASN 40 Cb 0.51 -3.21 -0.00 0.00 -0.61 0.00 0.00 39.78 36.46 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 -2.74 -3.09 -4.00 6.41 3.02 -1.25 -5.04 115.26 108.57 1zdx n ASN 41 Ca 0.04 0.01 -0.24 0.00 -0.03 0.00 0.00 54.58 54.36 1zdx n ASN 41 Cb 0.52 -0.62 -0.17 0.00 -0.61 0.00 0.00 39.78 38.90 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 -2.36 0.72 0.06 7.41 0.00 -0.09 -5.07 107.32 108.00 1zdx s GLY 42 Ca 0.00 -0.34 -0.31 0.00 0.00 0.00 0.00 44.72 44.07 1zdx s GLY 42 CO 0.00 0.19 1.90 2.98 0.00 0.00 0.00 173.10 178.17 1zdx n TYR 43 N 3.87 2.53 -0.06 1.90 9.36 -1.26 -0.42 117.16 133.08 1zdx n TYR 43 Ca -0.23 -0.22 -0.09 0.00 3.32 0.00 0.00 57.90 60.67 1zdx n TYR 43 Cb 0.51 -2.75 -0.03 0.00 -0.63 0.00 0.00 39.34 36.44 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 6.53 0.39 -3.98 2.98 2.81 0.49 -4.91 117.12 121.43 1zdx n MET 44 Ca 0.19 0.16 -0.10 0.00 -1.81 0.00 0.00 57.70 56.14 1zdx n MET 44 Cb 0.38 -1.18 -0.04 0.00 -0.71 0.00 0.00 33.22 31.67 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 -2.60 -0.21 -0.03 3.04 0.00 -1.24 -4.96 121.76 115.77 1zdx s ALA 45 Ca -0.22 -0.93 -0.01 0.00 0.00 0.00 0.00 51.96 50.81 1zdx s ALA 45 Cb 0.04 1.02 0.03 0.00 0.00 0.00 0.00 23.12 24.21 1zdx s ALA 45 CO 0.32 -0.88 0.04 0.99 0.00 0.00 0.00 175.76 176.23 1zdx s THR 46 N -3.64 -0.06 -0.09 0.00 2.01 -1.26 -0.61 115.64 111.99 1zdx s THR 46 Ca 0.22 0.27 -0.32 0.00 0.31 0.00 0.00 61.69 62.17 1zdx s THR 46 Cb -0.02 -0.11 0.12 0.00 0.01 0.00 0.00 72.50 72.50 1zdx s THR 46 CO 0.11 0.12 1.40 0.00 -0.69 0.00 0.00 174.62 175.56 1zdx s ARG 47 N 1.36 0.03 -0.12 4.92 1.04 -1.15 -5.00 118.95 120.03 1zdx s ARG 47 Ca -0.05 -0.02 -0.29 0.00 -1.04 0.00 0.00 55.73 54.33 1zdx s ARG 47 Cb -0.13 0.01 -0.05 0.00 -2.04 0.00 0.00 34.95 32.74 1zdx s ARG 47 CO -0.03 -0.01 1.77 -0.51 -0.04 0.00 0.00 175.30 176.48 1zdx s ASP 48 N -3.55 6.37 -0.97 -2.89 1.01 -1.26 -2.38 116.67 113.00 1zdx s ASP 48 Ca 0.25 2.06 -0.03 0.00 0.71 0.00 0.00 52.55 55.53 1zdx s ASP 48 Cb 0.03 -2.53 0.26 0.00 1.01 0.00 0.00 42.92 41.69 1zdx s ASP 48 CO -0.05 -1.20 1.02 0.52 0.21 0.00 0.00 175.17 175.68 1zdx n VAL 49 N 6.11 3.87 -1.68 -1.27 0.31 0.17 -4.89 118.33 120.95 1zdx n VAL 49 Ca 0.20 -5.37 -0.45 0.00 -0.01 0.00 0.00 64.34 58.70 1zdx n VAL 49 Cb 0.44 -2.35 -0.03 0.00 -0.91 0.00 0.00 33.84 30.99 1zdx n VAL 49 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 1zdx n THR 50 N 2.05 0.41 -4.46 2.52 -1.04 -1.26 -4.22 114.28 108.28 1zdx n THR 50 Ca 0.24 -0.10 -0.23 0.00 -2.04 0.00 0.00 64.05 61.92 1zdx n THR 50 Cb 0.37 -1.55 -0.10 0.00 -1.82 0.00 0.00 70.33 67.22 1zdx n THR 50 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1zdx s PHE 51 N 0.50 2.11 0.20 -1.42 -0.71 -0.40 -0.15 117.98 118.12 1zdx s PHE 51 Ca 0.74 -0.57 0.09 0.00 -1.04 0.00 0.00 56.93 56.14 1zdx s PHE 51 Cb -0.65 -1.15 -0.05 0.00 -1.21 0.00 0.00 43.02 39.97 1zdx s PHE 51 CO 0.43 0.44 -0.17 -0.80 -1.34 0.00 0.00 175.22 173.78 1zdx s ASN 52 N -3.49 2.84 0.38 1.98 0.01 -0.20 -3.72 114.94 112.74 1zdx s ASN 52 Ca 0.30 -0.96 -0.27 0.00 -0.71 0.00 0.00 52.86 51.22 1zdx s ASN 52 Cb 0.02 -0.18 -0.11 0.00 0.41 0.00 0.00 41.25 41.39 1zdx s ASN 52 CO 0.13 -0.07 1.31 0.41 -1.51 0.00 0.00 177.10 177.37 1zdx n THR 53 N -0.15 2.24 -2.41 1.60 -1.04 -1.26 -1.36 114.28 111.89 1zdx n THR 53 Ca -0.09 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.42 1zdx n THR 53 Cb 0.59 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.47 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 0.74 2.07 2.74 3.41 0.00 -0.60 -4.61 105.19 108.93 1zdx n GLY 54 Ca 0.05 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 45.18 1zdx n GLY 54 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1zdx s ASP 55 N 2.00 1.47 0.00 1.61 1.01 -1.26 -3.99 116.67 117.51 1zdx s ASP 55 Ca 0.00 -0.21 0.00 0.00 0.71 0.00 0.00 52.55 53.05 1zdx s ASP 55 Cb 0.00 0.23 0.00 0.00 1.01 0.00 0.00 42.92 44.16 1zdx s ASP 55 CO 0.00 -0.32 0.00 -1.20 0.21 0.00 0.00 175.17 173.86 1zdx n SER 56 N 5.31 0.00 -0.17 0.27 7.64 -1.26 -4.82 113.62 120.58 1zdx n SER 56 Ca -0.06 -0.97 0.10 0.00 1.01 0.00 0.00 58.87 58.96 1zdx n SER 56 Cb 0.49 0.00 0.42 0.00 -1.01 0.00 0.00 64.21 64.11 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 0.59 0.00 1.43 4.39 -1.96 -3.06 114.58 115.98 1zdx h GLU 57 Ca 0.00 -0.04 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 1zdx h GLU 57 Cb 0.00 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 28.51 1zdx h GLU 57 CO 0.00 0.39 -1.88 1.04 -1.16 0.00 0.00 179.01 177.40 1zdx n GLN 58 N -4.49 0.66 -0.82 2.33 3.00 -1.26 -4.33 117.38 112.47 1zdx n GLN 58 Ca 0.12 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1zdx n GLN 58 Cb 0.36 -1.43 0.00 0.00 0.00 0.00 0.00 30.24 29.17 1zdx n GLN 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1zdx n GLY 59 N 1.56 1.10 3.12 1.08 0.00 -1.16 -1.74 105.19 109.15 1zdx n GLY 59 Ca -0.07 -0.44 -0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 0.14 0.03 -0.61 -4.36 -1.26 -1.56 121.20 111.58 1zdx s ILE 60 Ca 0.00 -1.16 0.02 0.00 -0.26 0.00 0.00 60.65 59.25 1zdx s ILE 60 Cb 0.00 -0.99 -0.02 0.00 1.25 0.00 0.00 42.46 42.70 1zdx s ILE 60 CO 0.00 -0.64 -0.06 0.68 0.24 0.00 0.00 174.94 175.16 1zdx s VAL 61 N -2.83 0.42 0.43 8.37 -7.23 -0.46 -4.56 120.40 114.53 1zdx s VAL 61 Ca -0.03 -0.88 -0.21 0.00 -1.81 0.00 0.00 61.98 59.05 1zdx s VAL 61 Cb 0.00 -0.48 -0.11 0.00 0.56 0.00 0.00 36.38 36.36 1zdx s VAL 61 CO -0.06 -0.32 0.96 -2.16 -0.31 0.00 0.00 175.10 173.22 1zdx s PRO 62 N -1.28 4.22 -1.03 4.82 0.05 -1.26 -1.04 135.00 139.48 1zdx s PRO 62 Ca -0.09 1.16 -0.20 0.00 0.05 0.00 0.00 61.00 61.92 1zdx s PRO 62 Cb -0.08 -2.22 -0.08 0.00 0.05 0.00 0.00 34.50 32.16 1zdx s PRO 62 CO 0.00 -0.04 2.00 0.00 0.05 0.00 0.00 177.00 179.01 1zdx s LEU 64 N 2.60 4.29 0.59 0.00 1.43 -1.26 -4.82 118.68 121.51 1zdx s LEU 64 Ca 0.55 1.35 0.01 0.00 -1.03 0.00 0.00 54.13 55.02 1zdx s LEU 64 Cb 0.12 -3.31 0.05 0.00 0.03 0.00 0.00 46.19 43.09 1zdx s LEU 64 CO 0.06 -0.27 0.83 0.42 0.23 0.00 0.00 176.35 177.62 1zdx s THR 65 N 1.34 2.53 0.24 5.49 -4.23 -1.23 -0.64 115.64 119.14 1zdx s THR 65 Ca 0.43 -0.64 -0.05 0.00 -1.18 0.00 0.00 61.69 60.25 1zdx s THR 65 Cb -0.18 -2.89 0.20 0.00 1.34 0.00 0.00 72.50 70.97 1zdx s THR 65 CO 0.19 0.00 1.80 -0.09 -0.54 0.00 0.00 174.62 175.99 1zdx h ARG 66 N -0.07 0.72 -0.31 3.99 2.43 -1.70 -1.73 114.38 117.71 1zdx h ARG 66 Ca -0.41 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 58.68 1zdx h ARG 66 Cb 1.29 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1zdx h ARG 66 CO 0.50 0.47 0.02 0.00 -1.51 0.00 0.00 179.97 179.45 1zdx h ALA 67 N 1.44 0.41 -0.41 2.80 0.00 -1.81 -0.40 119.26 121.29 1zdx h ALA 67 Ca 0.38 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1zdx h ALA 67 Cb 0.35 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1zdx h ALA 67 CO -0.25 0.14 0.15 1.96 0.00 0.00 0.00 179.25 181.25 1zdx h GLN 68 N 0.33 0.58 0.05 0.00 4.20 -1.72 0.16 115.11 118.71 1zdx h GLN 68 Ca 0.09 -0.08 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 1zdx h GLN 68 Cb 0.40 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 28.08 1zdx h GLN 68 CO 0.01 0.49 -0.46 -0.07 -0.67 0.00 0.00 178.83 178.13 1zdx h LEU 69 N 0.58 0.32 -2.07 1.46 3.38 -1.23 -3.00 115.31 114.75 1zdx h LEU 69 Ca 0.14 -0.88 0.10 0.00 0.09 0.00 0.00 57.88 57.32 1zdx h LEU 69 Cb 0.14 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1zdx h LEU 69 CO -0.01 1.17 0.27 0.00 0.09 0.00 0.00 178.44 179.96 1zdx h ALA 70 N 0.15 2.18 0.72 1.53 0.00 -0.86 -1.94 119.26 121.04 1zdx h ALA 70 Ca -0.07 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1zdx h ALA 70 Cb 1.29 0.02 0.01 0.00 0.00 0.00 0.00 17.79 19.11 1zdx h ALA 70 CO 0.09 -0.44 -0.35 1.03 0.00 0.00 0.00 179.25 179.58 1zdx h SER 71 N 0.00 -0.82 0.01 0.00 0.87 -0.63 -2.86 113.55 110.13 1zdx h SER 71 Ca 0.16 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 1zdx h SER 71 Cb 0.69 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1zdx h SER 71 CO -0.00 -0.45 0.00 1.15 -0.53 0.00 0.00 176.83 177.00 1zdx n MET 72 N -5.38 0.01 0.00 2.24 0.00 -1.04 -4.01 117.12 108.94 1zdx n MET 72 Ca -0.12 0.25 0.00 0.00 0.00 0.00 0.00 57.70 57.83 1zdx n MET 72 Cb 0.38 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 32.10 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 -1.18 1.26 3.51 3.17 0.00 -0.99 -2.31 105.19 108.65 1zdx n GLY 73 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 1.09 -4.22 0.99 7.94 -0.77 -1.43 117.00 120.60 1zdx n LEU 74 Ca 0.00 0.37 -0.40 0.00 -1.11 0.00 0.00 56.01 54.87 1zdx n LEU 74 Cb 0.00 -1.31 -0.09 0.00 0.53 0.00 0.00 43.42 42.55 1zdx n LEU 74 CO 0.00 -3.09 -0.07 0.21 -1.11 0.00 0.00 177.39 173.33 1zdx s ASN 75 N -2.23 5.63 0.49 1.96 3.84 -0.41 -3.92 114.94 120.31 1zdx s ASN 75 Ca 0.61 -1.78 0.14 0.00 0.21 0.00 0.00 52.86 52.04 1zdx s ASN 75 Cb -0.22 -1.98 1.17 0.00 -0.55 0.00 0.00 41.25 39.67 1zdx s ASN 75 CO 0.64 -0.62 2.11 0.71 -2.79 0.00 0.00 177.10 177.15 1zdx h THR 76 N 6.14 1.00 -0.01 -5.21 1.35 -1.96 -2.95 112.91 111.28 1zdx h THR 76 Ca -0.21 -0.05 -0.10 0.00 -0.55 0.00 0.00 66.41 65.50 1zdx h THR 76 Cb 1.07 0.85 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 1zdx h THR 76 CO 0.81 0.03 -0.49 0.00 -0.25 0.00 0.00 175.52 175.61 1zdx h ALA 77 N 1.91 1.17 0.00 6.62 0.00 -1.94 -2.98 119.26 124.05 1zdx h ALA 77 Ca 0.06 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1zdx h ALA 77 Cb 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1zdx h ALA 77 CO -0.01 0.62 0.00 0.43 0.00 0.00 0.00 179.25 180.29 1zdx n SER 78 N -3.96 0.76 -4.92 0.00 7.64 -1.11 -4.68 113.62 107.35 1zdx n SER 78 Ca -0.02 0.64 -0.27 0.00 1.01 0.00 0.00 58.87 60.24 1zdx n SER 78 Cb 0.51 -0.82 0.04 0.00 -1.01 0.00 0.00 64.21 62.93 1zdx n SER 78 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1zdx s VAL 79 N -3.25 3.30 0.00 0.44 1.01 -1.13 -4.95 120.40 115.83 1zdx s VAL 79 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.00 1zdx s VAL 79 Cb 0.10 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1zdx s VAL 79 CO 0.48 -0.36 0.00 0.00 0.00 0.00 0.00 175.10 175.22 1zdx n ALA 80 N -2.69 0.00 -0.96 5.51 0.00 -1.26 -4.54 120.51 116.57 1zdx n ALA 80 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 1zdx n ALA 80 Cb 0.58 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.97 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 2.00 3.39 0.11 0.00 0.00 -1.26 -4.08 105.19 105.35 1zdx n GLY 81 Ca 0.00 -1.02 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 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 1.45 0.77 0.00 1.61 0.00 -1.26 -4.53 117.12 115.15 1zdx n MET 82 Ca 0.31 0.08 0.04 0.00 0.00 0.00 0.00 57.70 58.12 1zdx n MET 82 Cb 0.66 -1.46 0.22 0.00 0.00 0.00 0.00 33.22 32.63 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 -2.98 0.00 0.00 6.12 0.23 -1.25 -2.05 115.26 115.33 1zdx n ASN 83 Ca -0.36 -0.38 0.00 0.00 -0.53 0.00 0.00 54.58 53.30 1zdx n ASN 83 Cb 1.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.70 1zdx n ASN 83 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1zdx n LEU 84 N -0.87 0.24 -4.85 -4.53 -0.00 -1.26 -5.05 117.00 100.67 1zdx n LEU 84 Ca 0.05 -0.55 -0.32 0.00 -0.00 0.00 0.00 56.01 55.20 1zdx n LEU 84 Cb 0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.43 1zdx n LEU 84 CO 0.04 0.06 0.69 -0.76 -0.00 0.00 0.00 177.39 177.42 1zdx s LEU 85 N -1.26 3.50 0.81 1.47 1.43 -0.87 -5.05 118.68 118.71 1zdx s LEU 85 Ca 0.00 1.53 -0.11 0.00 -1.03 0.00 0.00 54.13 54.52 1zdx s LEU 85 Cb 0.00 -4.50 0.08 0.00 0.03 0.00 0.00 46.19 41.80 1zdx s LEU 85 CO 0.00 -0.69 1.09 0.00 0.23 0.00 0.00 176.35 176.98 1zdx s ALA 86 N -2.79 2.02 -1.73 4.21 0.00 -1.26 -4.81 121.76 117.39 1zdx s ALA 86 Ca 0.58 0.18 0.17 0.00 0.00 0.00 0.00 51.96 52.89 1zdx s ALA 86 Cb -0.10 -3.26 0.96 0.00 0.00 0.00 0.00 23.12 20.72 1zdx s ALA 86 CO 0.38 -1.98 1.47 -0.25 0.00 0.00 0.00 175.76 175.39 1zdx n ASP 87 N -3.65 0.00 -2.41 0.00 9.92 -1.26 -2.74 116.55 116.41 1zdx n ASP 87 Ca 0.09 -0.27 -0.00 0.00 -0.53 0.00 0.00 54.79 54.07 1zdx n ASP 87 Cb 0.54 -0.13 0.05 0.00 -0.64 0.00 0.00 41.12 40.94 1zdx n ASP 87 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1zdx n ASP 88 N -1.13 0.54 -4.54 -2.24 2.03 -1.26 -3.82 116.55 106.12 1zdx n ASP 88 Ca 0.11 -2.06 -0.25 0.00 0.52 0.00 0.00 54.79 53.11 1zdx n ASP 88 Cb 0.09 -0.11 -0.09 0.00 -0.72 0.00 0.00 41.12 40.29 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 -1.88 2.89 -0.49 -1.67 0.00 -1.22 -5.05 121.76 114.34 1zdx s ALA 89 Ca 0.22 -1.67 -0.27 0.00 0.00 0.00 0.00 51.96 50.24 1zdx s ALA 89 Cb 0.34 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 1zdx s ALA 89 CO -0.08 0.35 2.02 0.00 0.00 0.00 0.00 175.76 178.05 1zdx s VAL 91 N 9.43 4.93 -0.63 0.00 1.01 0.19 -4.98 120.40 130.35 1zdx s VAL 91 Ca 0.81 1.79 -0.26 0.00 0.00 0.00 0.00 61.98 64.31 1zdx s VAL 91 Cb -0.17 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1zdx s VAL 91 CO 0.26 0.17 1.91 -2.16 0.00 0.00 0.00 175.10 175.27 1zdx s PRO 92 N 1.12 2.58 0.00 2.72 0.04 -1.26 -4.40 135.00 135.79 1zdx s PRO 92 Ca 0.45 0.58 0.00 0.00 0.04 0.00 0.00 61.00 62.07 1zdx s PRO 92 Cb -0.19 -4.46 0.00 0.00 0.04 0.00 0.00 34.50 29.89 1zdx s PRO 92 CO 0.22 -2.83 0.46 -0.11 0.04 0.00 0.00 177.00 174.78 1zdx n LEU 93 N 13.09 0.56 0.00 -3.56 7.94 -1.26 -3.55 117.00 130.22 1zdx n LEU 93 Ca 0.23 0.57 0.09 0.00 -1.11 0.00 0.00 56.01 55.79 1zdx n LEU 93 Cb 0.52 -0.26 0.56 0.00 0.53 0.00 0.00 43.42 44.77 1zdx n LEU 93 CO 0.70 -0.26 0.79 0.35 -1.11 0.00 0.00 177.39 177.86 1zdx n THR 94 N -1.28 0.00 0.04 1.96 -2.24 -1.26 0.23 114.28 111.73 1zdx n THR 94 Ca 0.00 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.79 1zdx n THR 94 Cb 0.00 -0.50 0.02 0.00 -2.10 0.00 0.00 70.33 67.75 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 -0.88 0.40 0.00 4.28 -1.04 -1.26 -4.50 114.28 111.27 1zdx n THR 95 Ca 0.14 -0.70 0.00 0.00 -2.04 0.00 0.00 64.05 61.45 1zdx n THR 95 Cb 0.06 0.83 0.00 0.00 -1.82 0.00 0.00 70.33 69.40 1zdx n THR 95 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1zdx n MET 96 N -0.06 2.61 -4.82 -2.82 0.00 -0.26 -5.00 117.12 106.77 1zdx n MET 96 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 57.70 57.39 1zdx n MET 96 Cb 0.14 -0.97 -0.13 0.00 0.00 0.00 0.00 33.22 32.27 1zdx n MET 96 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1zdx s VAL 97 N -1.92 3.21 0.50 1.12 -7.23 0.14 -4.89 120.40 111.33 1zdx s VAL 97 Ca 0.00 -0.66 -0.01 0.00 -1.81 0.00 0.00 61.98 59.50 1zdx s VAL 97 Cb 0.00 -2.28 0.01 0.00 0.56 0.00 0.00 36.38 34.67 1zdx s VAL 97 CO 0.00 0.59 0.74 -1.58 -0.31 0.00 0.00 175.10 174.53 1zdx s GLN 98 N -0.66 2.92 0.00 4.82 2.00 -1.26 -4.41 119.66 123.07 1zdx s GLN 98 Ca 0.10 -0.46 0.00 0.00 -2.00 0.00 0.00 55.36 53.00 1zdx s GLN 98 Cb -0.11 -2.49 0.00 0.00 0.80 0.00 0.00 33.01 31.21 1zdx s GLN 98 CO 0.01 -0.45 0.00 -3.47 -0.50 0.00 0.00 175.29 170.88 1zdx n ASP 99 N -2.23 0.00 -4.75 6.67 4.64 -1.26 -4.61 116.55 115.01 1zdx n ASP 99 Ca 0.03 0.00 -0.35 0.00 -1.38 0.00 0.00 54.79 53.09 1zdx n ASP 99 Cb 0.58 0.00 0.04 0.00 -1.04 0.00 0.00 41.12 40.70 1zdx n ASP 99 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1zdx s ALA 100 N 0.00 2.48 0.09 -1.67 0.00 -1.26 -4.72 121.76 116.68 1zdx s ALA 100 Ca 0.00 0.91 -0.14 0.00 0.00 0.00 0.00 51.96 52.73 1zdx s ALA 100 Cb 0.00 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 19.72 1zdx s ALA 100 CO 0.00 -1.25 0.34 0.95 0.00 0.00 0.00 175.76 175.81 1zdx s THR 101 N -1.77 0.09 -0.47 0.00 -4.23 -0.99 -4.82 115.64 103.44 1zdx s THR 101 Ca 0.75 -0.70 0.08 0.00 -1.18 0.00 0.00 61.69 60.65 1zdx s THR 101 Cb -0.28 -1.14 0.31 0.00 1.34 0.00 0.00 72.50 72.73 1zdx s THR 101 CO 0.35 -0.39 0.75 0.00 -0.54 0.00 0.00 174.62 174.79 1zdx n ALA 102 N 0.03 3.10 -2.03 3.99 0.00 -1.26 -1.09 120.51 123.25 1zdx n ALA 102 Ca -0.17 -3.94 -0.42 0.00 0.00 0.00 0.00 53.44 48.91 1zdx n ALA 102 Cb 0.62 -0.85 -0.03 0.00 0.00 0.00 0.00 19.45 19.20 1zdx n ALA 102 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1zdx s HIS 103 N -2.46 1.83 -0.45 0.00 5.04 0.83 -4.84 115.29 115.24 1zdx s HIS 103 Ca 0.41 0.66 -0.29 0.00 -1.54 0.00 0.00 55.06 54.30 1zdx s HIS 103 Cb 0.27 -4.13 0.02 0.00 0.04 0.00 0.00 32.58 28.78 1zdx s HIS 103 CO -0.09 -2.79 1.20 -1.17 -2.34 0.00 0.00 174.74 169.55 1zdx s LEU 104 N 7.11 3.64 -1.05 8.88 1.98 -1.26 -0.57 118.68 137.41 1zdx s LEU 104 Ca 0.77 0.60 -0.15 0.00 -2.89 0.00 0.00 54.13 52.45 1zdx s LEU 104 Cb -0.20 -3.55 0.17 0.00 0.66 0.00 0.00 46.19 43.27 1zdx s LEU 104 CO 0.32 -1.27 1.22 -0.62 -1.89 0.00 0.00 176.35 174.10 1zdx s ASP 105 N 2.76 6.89 0.42 3.68 -1.08 0.14 -4.87 116.67 124.61 1zdx s ASP 105 Ca 0.51 -2.64 0.30 0.00 -0.52 0.00 0.00 52.55 50.20 1zdx s ASP 105 Cb -0.09 -2.36 1.31 0.00 -1.46 0.00 0.00 42.92 40.31 1zdx s ASP 105 CO 0.31 -0.81 1.89 0.58 0.52 0.00 0.00 175.17 177.65 1zdx h VAL 106 N 5.05 0.00 -0.75 1.11 2.07 -1.94 0.55 116.25 122.34 1zdx h VAL 106 Ca 0.22 -0.30 0.10 0.00 0.82 0.00 0.00 66.70 67.54 1zdx h VAL 106 Cb 0.95 1.14 -0.07 0.00 -1.52 0.00 0.00 31.29 31.78 1zdx h VAL 106 CO 1.12 0.00 0.39 1.23 0.02 0.00 0.00 177.57 180.33 1zdx h GLY 107 N 1.72 1.15 -0.00 2.17 0.00 -1.96 -3.30 103.07 102.85 1zdx h GLY 107 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1zdx h GLY 107 CO 0.00 0.06 -0.00 -0.18 0.00 0.00 0.00 176.54 176.42 1zdx n GLN 108 N -4.84 2.56 -3.66 4.80 -0.06 -0.97 -5.00 117.38 110.21 1zdx n GLN 108 Ca 0.12 -1.40 -0.28 0.00 -2.00 0.00 0.00 57.00 53.44 1zdx n GLN 108 Cb 0.29 -0.95 0.01 0.00 -4.06 0.00 0.00 30.24 25.53 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 -0.46 -4.48 -4.04 3.69 6.02 0.03 -4.95 117.38 113.19 1zdx n GLN 109 Ca 0.00 0.57 -0.32 0.00 -0.01 0.00 0.00 57.00 57.24 1zdx n GLN 109 Cb 0.30 -5.38 -0.15 0.00 1.02 0.00 0.00 30.24 26.03 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 -6.35 1.89 -1.28 -1.09 3.52 -0.33 -0.58 118.95 114.74 1zdx s ARG 110 Ca 0.55 -1.60 -0.18 0.00 -0.13 0.00 0.00 55.73 54.36 1zdx s ARG 110 Cb -0.28 -3.05 0.07 0.00 -1.56 0.00 0.00 34.95 30.12 1zdx s ARG 110 CO 0.67 -0.75 1.73 -1.17 -0.81 0.00 0.00 175.30 174.97 1zdx s LEU 111 N 1.01 3.81 -0.01 -0.88 2.96 0.40 -0.68 118.68 125.29 1zdx s LEU 111 Ca 0.01 -2.38 -0.35 0.00 -0.22 0.00 0.00 54.13 51.18 1zdx s LEU 111 Cb -0.20 -2.58 -0.13 0.00 0.50 0.00 0.00 46.19 43.78 1zdx s LEU 111 CO -0.06 -1.23 1.72 0.59 -1.32 0.00 0.00 176.35 176.04 1zdx n ASN 112 N 8.55 3.06 -4.12 3.68 3.02 0.27 -0.31 115.26 129.41 1zdx n ASN 112 Ca 0.48 1.03 -0.15 0.00 -0.03 0.00 0.00 54.58 55.92 1zdx n ASN 112 Cb 0.46 -1.35 -0.11 0.00 -0.61 0.00 0.00 39.78 38.17 1zdx n ASN 112 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1zdx s LEU 113 N 2.62 2.31 0.01 3.41 2.96 0.66 -0.12 118.68 130.53 1zdx s LEU 113 Ca 0.88 -0.65 -0.00 0.00 -0.22 0.00 0.00 54.13 54.14 1zdx s LEU 113 Cb -0.75 -0.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.64 1zdx s LEU 113 CO 0.48 -0.19 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.41 1zdx s THR 114 N -1.68 0.06 -0.04 3.68 2.01 -0.25 -1.02 115.64 118.41 1zdx s THR 114 Ca -0.03 -0.49 -0.01 0.00 0.31 0.00 0.00 61.69 61.46 1zdx s THR 114 Cb -0.08 -0.15 0.03 0.00 0.01 0.00 0.00 72.50 72.31 1zdx s THR 114 CO 0.01 -0.27 0.08 -0.63 -0.69 0.00 0.00 174.62 173.11 1zdx s ILE 115 N -0.79 -0.04 0.33 1.82 1.01 -1.26 -2.36 121.20 119.91 1zdx s ILE 115 Ca -0.09 0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.43 1zdx s ILE 115 Cb -0.05 -0.14 -0.11 0.00 0.01 0.00 0.00 42.46 42.16 1zdx s ILE 115 CO -0.01 0.07 1.53 -0.81 0.00 0.00 0.00 174.94 175.72 1zdx n PRO 116 N 3.95 2.65 -0.27 2.79 -0.04 -1.26 -4.89 135.00 137.93 1zdx n PRO 116 Ca -0.24 0.94 0.33 0.00 -0.04 0.00 0.00 63.50 64.48 1zdx n PRO 116 Cb 0.53 -2.69 0.74 0.00 -0.04 0.00 0.00 33.50 32.04 1zdx n PRO 116 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1zdx h GLN 117 N 3.84 0.01 -0.10 0.54 1.08 -1.99 0.29 115.11 118.77 1zdx h GLN 117 Ca -0.49 -0.00 0.03 0.00 -1.45 0.00 0.00 58.65 56.74 1zdx h GLN 117 Cb 1.24 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.66 1zdx h GLN 117 CO 0.71 0.00 0.16 0.00 -0.95 0.00 0.00 178.83 178.76 1zdx h ALA 118 N 1.46 1.53 -0.75 3.87 0.00 -2.01 -1.92 119.26 121.44 1zdx h ALA 118 Ca 0.52 -0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.91 1zdx h ALA 118 Cb 2.06 0.01 -0.32 0.00 0.00 0.00 0.00 17.79 19.54 1zdx h ALA 118 CO -0.01 -0.21 -0.11 1.19 0.00 0.00 0.00 179.25 180.10 1zdx n PHE 119 N -3.50 2.55 -4.00 0.00 3.01 0.09 -4.85 117.46 110.77 1zdx n PHE 119 Ca -0.00 -2.34 -0.19 0.00 1.01 0.00 0.00 57.45 55.92 1zdx n PHE 119 Cb 0.26 -0.73 -0.17 0.00 -0.01 0.00 0.00 39.48 38.83 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 -3.59 0.57 -0.18 -1.08 -1.94 -0.72 -1.28 119.30 111.07 1zdx s MET 120 Ca 0.54 0.01 0.00 0.00 -1.71 0.00 0.00 55.69 54.53 1zdx s MET 120 Cb 0.44 -0.72 0.17 0.00 2.01 0.00 0.00 34.83 36.73 1zdx s MET 120 CO 0.02 -0.14 1.69 0.45 -0.01 0.00 0.00 175.02 177.02 1zdx n SER 121 N 4.30 4.82 -0.11 3.03 2.88 -0.51 -4.71 113.62 123.31 1zdx n SER 121 Ca -0.22 -2.69 0.00 0.00 -1.33 0.00 0.00 58.87 54.63 1zdx n SER 121 Cb 0.50 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 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 0.41 -1.92 0.00 -3.46 3.02 -1.26 -4.84 115.26 107.21 1zdx n ASN 122 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.74 1zdx n ASN 122 Cb 0.69 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.86 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 -0.22 0.00 -3.27 3.52 5.12 -1.26 -4.80 116.66 115.75 1zdx n ARG 123 Ca 0.00 0.00 -0.19 0.00 -1.93 0.00 0.00 57.85 55.73 1zdx n ARG 123 Cb 0.00 -0.08 0.02 0.00 -1.16 0.00 0.00 32.46 31.24 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 0.00 -2.35 0.71 7.54 0.00 -1.26 -5.04 120.51 120.11 1zdx n ALA 124 Ca 0.00 0.31 0.09 0.00 0.00 0.00 0.00 53.44 53.83 1zdx n ALA 124 Cb 0.00 -1.67 0.07 0.00 0.00 0.00 0.00 19.45 17.85 1zdx n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04