#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zdx n GLN 26 N 0.00 2.35 -0.18 1.61 0.00 -1.26 -4.38 117.38 115.51 1zdx n GLN 26 Ca 0.00 0.86 0.00 0.00 -0.00 0.00 0.00 57.00 57.86 1zdx n GLN 26 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 30.24 27.53 1zdx n GLN 26 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.06 176.21 1zdx n GLU 27 N 5.87 0.00 -3.67 3.69 0.28 -0.08 -4.95 120.64 121.78 1zdx n GLU 27 Ca 0.20 -0.34 -0.15 0.00 -0.16 0.00 0.00 57.16 56.71 1zdx n GLU 27 Cb 0.32 -0.25 -0.15 0.00 1.43 0.00 0.00 31.44 32.79 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 -0.12 0.38 -1.84 1.43 -1.11 -5.05 118.68 112.37 1zdx s LEU 28 Ca 0.00 0.43 -0.27 0.00 -1.03 0.00 0.00 54.13 53.26 1zdx s LEU 28 Cb 0.00 0.44 -0.09 0.00 0.03 0.00 0.00 46.19 46.57 1zdx s LEU 28 CO 0.00 -0.24 1.25 -2.16 0.23 0.00 0.00 176.35 175.44 1zdx s PRO 29 N 2.27 4.11 0.88 1.29 0.04 -1.26 -4.75 135.00 137.58 1zdx s PRO 29 Ca 0.02 2.06 -0.10 0.00 0.04 0.00 0.00 61.00 63.02 1zdx s PRO 29 Cb -0.12 -2.82 0.12 0.00 0.04 0.00 0.00 34.50 31.72 1zdx s PRO 29 CO -0.07 -0.34 1.13 -1.25 0.04 0.00 0.00 177.00 176.51 1zdx s PRO 30 N -2.12 1.34 0.00 0.56 0.04 -1.26 -4.95 135.00 128.61 1zdx s PRO 30 Ca 0.55 1.46 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1zdx s PRO 30 Cb -0.36 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.41 1zdx s PRO 30 CO 0.46 -2.38 0.00 0.41 0.04 0.00 0.00 177.00 175.54 1zdx n GLY 31 N -0.15 -0.60 2.95 0.56 0.00 -0.72 -5.01 105.19 102.21 1zdx n GLY 31 Ca 0.11 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.20 0.51 2.61 -1.32 -1.26 -0.73 115.64 111.25 1zdx s THR 32 Ca 0.00 0.25 0.09 0.00 -1.21 0.00 0.00 61.69 60.82 1zdx s THR 32 Cb 0.00 -0.34 0.05 0.00 -1.51 0.00 0.00 72.50 70.71 1zdx s THR 32 CO 0.00 0.10 0.69 -0.72 -2.21 0.00 0.00 174.62 172.48 1zdx s TYR 33 N 1.83 1.96 -0.21 9.09 -0.85 -0.98 -4.88 117.35 123.31 1zdx s TYR 33 Ca -0.03 -0.60 0.01 0.00 -0.52 0.00 0.00 57.07 55.93 1zdx s TYR 33 Cb -0.12 -2.26 0.05 0.00 0.38 0.00 0.00 41.96 40.01 1zdx s TYR 33 CO -0.07 -0.84 -0.09 0.50 -1.52 0.00 0.00 175.55 173.52 1zdx s ARG 34 N -4.53 1.97 0.38 -3.49 6.06 -1.26 -0.59 118.95 117.50 1zdx s ARG 34 Ca 0.58 -0.93 -0.08 0.00 -2.50 0.00 0.00 55.73 52.81 1zdx s ARG 34 Cb -0.07 -2.50 0.03 0.00 0.06 0.00 0.00 34.95 32.47 1zdx s ARG 34 CO 0.36 -0.48 0.64 0.14 -2.50 0.00 0.00 175.30 173.46 1zdx s VAL 35 N 1.36 0.00 -0.28 7.11 -7.23 -1.07 -4.90 120.40 115.40 1zdx s VAL 35 Ca -0.03 -1.32 -0.10 0.00 -1.81 0.00 0.00 61.98 58.72 1zdx s VAL 35 Cb -0.17 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 1zdx s VAL 35 CO -0.07 0.00 0.16 -1.81 -0.31 0.00 0.00 175.10 173.06 1zdx s ASP 36 N -3.18 5.77 -0.05 4.85 -0.00 -1.01 -2.75 116.67 120.29 1zdx s ASP 36 Ca 0.24 -0.09 -0.30 0.00 -0.00 0.00 0.00 52.55 52.40 1zdx s ASP 36 Cb -0.03 -2.06 -0.07 0.00 -0.00 0.00 0.00 42.92 40.76 1zdx s ASP 36 CO 0.17 -0.06 1.87 -0.63 -0.00 0.00 0.00 175.17 176.53 1zdx s ILE 37 N 1.72 3.26 -0.33 0.77 1.09 0.10 -0.33 121.20 127.47 1zdx s ILE 37 Ca 0.07 0.30 0.03 0.00 -1.10 0.00 0.00 60.65 59.95 1zdx s ILE 37 Cb -0.16 -3.22 0.10 0.00 -1.06 0.00 0.00 42.46 38.12 1zdx s ILE 37 CO 0.09 -0.05 0.06 -0.47 -0.10 0.00 0.00 174.94 174.46 1zdx s TYR 38 N 4.93 3.28 -0.11 3.97 5.04 -0.04 -0.52 117.35 133.91 1zdx s TYR 38 Ca 0.84 -2.70 -0.18 0.00 -2.44 0.00 0.00 57.07 52.59 1zdx s TYR 38 Cb -0.37 -2.63 -0.04 0.00 0.35 0.00 0.00 41.96 39.26 1zdx s TYR 38 CO 0.36 -0.93 0.46 -1.17 -1.34 0.00 0.00 175.55 172.93 1zdx s LEU 39 N 1.07 4.29 -1.65 6.97 2.96 0.35 -0.42 118.68 132.24 1zdx s LEU 39 Ca 0.10 0.82 -0.15 0.00 -0.22 0.00 0.00 54.13 54.68 1zdx s LEU 39 Cb -0.19 -2.67 0.13 0.00 0.50 0.00 0.00 46.19 43.96 1zdx s LEU 39 CO -0.12 0.04 0.70 0.59 -1.32 0.00 0.00 176.35 176.24 1zdx n ASN 40 N 3.49 -2.69 -2.76 3.68 3.02 -0.20 -1.03 115.26 118.77 1zdx n ASN 40 Ca -0.08 -1.02 -0.12 0.00 -0.03 0.00 0.00 54.58 53.33 1zdx n ASN 40 Cb 0.52 -2.76 0.06 0.00 -0.61 0.00 0.00 39.78 36.99 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 -2.71 -2.36 -3.66 6.41 4.13 -1.26 -5.05 115.26 110.75 1zdx n ASN 41 Ca 0.00 -0.45 -0.07 0.00 1.68 0.00 0.00 54.58 55.73 1zdx n ASN 41 Cb 0.53 -3.85 -0.08 0.00 -1.54 0.00 0.00 39.78 34.84 1zdx n ASN 41 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 1zdx s GLY 42 N -3.91 -0.51 0.07 7.41 0.00 -0.20 -5.13 107.32 105.04 1zdx s GLY 42 Ca 0.03 1.99 -0.31 0.00 0.00 0.00 0.00 44.72 46.43 1zdx s GLY 42 CO 0.53 2.30 1.81 -0.47 0.00 0.00 0.00 173.10 177.27 1zdx s TYR 43 N 1.95 1.97 -0.17 1.90 5.04 -1.26 -0.50 117.35 126.27 1zdx s TYR 43 Ca -0.08 -0.04 -0.07 0.00 -2.44 0.00 0.00 57.07 54.45 1zdx s TYR 43 Cb -0.08 -4.12 -0.08 0.00 0.35 0.00 0.00 41.96 38.02 1zdx s TYR 43 CO -0.16 -4.72 -0.21 -1.33 -1.34 0.00 0.00 175.55 167.78 1zdx n MET 44 N 6.29 0.38 -3.64 4.97 2.81 0.33 -4.92 117.12 123.34 1zdx n MET 44 Ca 0.18 0.15 -0.10 0.00 -1.81 0.00 0.00 57.70 56.11 1zdx n MET 44 Cb 0.40 -1.17 -0.05 0.00 -0.71 0.00 0.00 33.22 31.70 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 -2.32 -0.91 -0.05 3.04 0.00 -1.18 -4.95 121.76 115.39 1zdx s ALA 45 Ca -0.24 -0.07 -0.03 0.00 0.00 0.00 0.00 51.96 51.63 1zdx s ALA 45 Cb 0.09 0.69 0.03 0.00 0.00 0.00 0.00 23.12 23.93 1zdx s ALA 45 CO 0.32 -0.64 0.12 0.99 0.00 0.00 0.00 175.76 176.55 1zdx s THR 46 N -3.81 -0.03 0.00 0.00 2.01 -1.26 0.03 115.64 112.58 1zdx s THR 46 Ca 0.03 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.15 1zdx s THR 46 Cb 0.02 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.34 1zdx s THR 46 CO -0.12 0.05 0.00 -2.11 -0.69 0.00 0.00 174.62 171.75 1zdx n ARG 47 N 3.78 -2.19 -2.60 4.92 1.85 -1.11 -5.02 116.66 116.29 1zdx n ARG 47 Ca -0.22 0.00 -0.41 0.00 -1.00 0.00 0.00 57.85 56.22 1zdx n ARG 47 Cb 0.54 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.91 1zdx n ARG 47 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 1zdx s ASP 48 N 0.00 7.32 -0.24 2.89 1.11 -1.26 -2.59 116.67 123.91 1zdx s ASP 48 Ca 0.00 1.92 0.02 0.00 0.18 0.00 0.00 52.55 54.67 1zdx s ASP 48 Cb 0.00 -2.59 0.05 0.00 1.07 0.00 0.00 42.92 41.45 1zdx s ASP 48 CO 0.00 -0.22 -0.13 -0.69 1.18 0.00 0.00 175.17 175.30 1zdx s VAL 49 N 0.26 2.12 0.39 -1.27 1.01 0.25 -4.94 120.40 118.22 1zdx s VAL 49 Ca 0.51 -1.43 -0.25 0.00 0.00 0.00 0.00 61.98 60.81 1zdx s VAL 49 Cb -0.26 -2.14 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 1zdx s VAL 49 CO 0.31 0.13 1.11 -0.89 0.00 0.00 0.00 175.10 175.75 1zdx s THR 50 N 1.16 3.45 0.03 3.92 2.01 -1.26 -2.32 115.64 122.62 1zdx s THR 50 Ca -0.05 1.18 -0.04 0.00 0.31 0.00 0.00 61.69 63.09 1zdx s THR 50 Cb -0.18 -3.65 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 1zdx s THR 50 CO -0.07 0.08 0.07 0.72 -0.69 0.00 0.00 174.62 174.73 1zdx s PHE 51 N -1.50 0.20 0.16 4.92 -0.12 0.09 -0.50 117.98 121.23 1zdx s PHE 51 Ca 0.56 -0.46 0.04 0.00 -0.05 0.00 0.00 56.93 57.02 1zdx s PHE 51 Cb -0.27 -0.15 -0.05 0.00 -0.63 0.00 0.00 43.02 41.93 1zdx s PHE 51 CO 0.34 -0.31 -0.09 0.54 -0.05 0.00 0.00 175.22 175.65 1zdx s ASN 52 N -1.86 1.82 0.13 1.98 2.20 -0.51 -1.76 114.94 116.95 1zdx s ASN 52 Ca -0.09 -1.04 -0.31 0.00 -0.94 0.00 0.00 52.86 50.47 1zdx s ASN 52 Cb -0.04 -0.01 -0.09 0.00 -2.00 0.00 0.00 41.25 39.10 1zdx s ASN 52 CO -0.03 -0.35 1.60 -0.89 -2.94 0.00 0.00 177.10 174.49 1zdx s THR 53 N -3.33 2.75 0.00 0.54 2.01 -1.26 -0.62 115.64 115.73 1zdx s THR 53 Ca 0.19 0.45 0.00 0.00 0.31 0.00 0.00 61.69 62.64 1zdx s THR 53 Cb 0.03 -3.29 0.00 0.00 0.01 0.00 0.00 72.50 69.25 1zdx s THR 53 CO 0.02 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 1zdx n GLY 54 N 3.84 4.51 2.67 4.40 0.00 -0.29 -4.84 105.19 115.47 1zdx n GLY 54 Ca 0.15 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 45.02 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 1.45 3.79 0.26 1.61 2.15 -1.26 -4.47 116.67 120.20 1zdx s ASP 55 Ca 0.00 -1.75 -0.09 0.00 0.43 0.00 0.00 52.55 51.13 1zdx s ASP 55 Cb 0.00 -0.75 0.04 0.00 -0.30 0.00 0.00 42.92 41.91 1zdx s ASP 55 CO 0.00 -0.39 0.51 -1.20 -0.17 0.00 0.00 175.17 173.92 1zdx n SER 56 N 4.68 -1.48 -0.05 -0.34 7.64 -1.26 -4.99 113.62 117.82 1zdx n SER 56 Ca -0.00 -2.06 -0.13 0.00 1.01 0.00 0.00 58.87 57.69 1zdx n SER 56 Cb 0.41 2.48 -0.09 0.00 -1.01 0.00 0.00 64.21 65.99 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 5.08 -1.92 -1.16 114.58 117.59 1zdx h GLU 57 Ca -0.22 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1zdx h GLU 57 Cb 0.81 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.16 1zdx h GLU 57 CO 0.28 -0.28 0.00 1.04 -1.00 0.00 0.00 179.01 179.04 1zdx n GLN 58 N -5.02 0.16 0.00 2.33 3.00 -1.26 -1.33 117.38 115.26 1zdx n GLN 58 Ca -0.04 0.17 0.00 0.00 -0.01 0.00 0.00 57.00 57.11 1zdx n GLN 58 Cb 0.31 -1.70 0.00 0.00 0.00 0.00 0.00 30.24 28.85 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 1.20 0.87 3.02 1.08 0.00 -0.44 -0.91 105.19 110.01 1zdx n GLY 59 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 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 0.10 -0.04 -0.61 -4.36 -1.26 -1.14 121.20 111.88 1zdx s ILE 60 Ca 0.00 -0.81 0.01 0.00 -0.26 0.00 0.00 60.65 59.60 1zdx s ILE 60 Cb 0.00 -0.31 0.02 0.00 1.25 0.00 0.00 42.46 43.42 1zdx s ILE 60 CO 0.00 -0.44 -0.06 0.68 0.24 0.00 0.00 174.94 175.36 1zdx s VAL 61 N -1.39 0.58 0.76 8.37 -7.23 0.21 -4.78 120.40 116.92 1zdx s VAL 61 Ca -0.15 -0.18 -0.12 0.00 -1.81 0.00 0.00 61.98 59.72 1zdx s VAL 61 Cb -0.09 -0.58 0.05 0.00 0.56 0.00 0.00 36.38 36.32 1zdx s VAL 61 CO -0.00 0.22 1.11 -2.16 -0.31 0.00 0.00 175.10 173.96 1zdx s PRO 62 N 0.71 2.26 -0.73 4.82 0.04 -1.26 -1.42 135.00 139.41 1zdx s PRO 62 Ca -0.10 1.29 -0.25 0.00 0.04 0.00 0.00 61.00 61.98 1zdx s PRO 62 Cb -0.13 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.57 1zdx s PRO 62 CO 0.00 -1.66 1.17 0.00 0.04 0.00 0.00 177.00 176.56 1zdx s LEU 64 N 5.01 3.74 0.62 0.00 1.43 -1.26 -4.81 118.68 123.41 1zdx s LEU 64 Ca 0.31 -0.24 -0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1zdx s LEU 64 Cb -0.11 -1.99 0.05 0.00 0.03 0.00 0.00 46.19 44.17 1zdx s LEU 64 CO 0.11 -0.08 0.89 0.42 0.23 0.00 0.00 176.35 177.93 1zdx s THR 65 N 1.65 2.51 0.26 5.49 -4.23 -1.17 -1.27 115.64 118.87 1zdx s THR 65 Ca 0.06 -0.46 -0.03 0.00 -1.18 0.00 0.00 61.69 60.08 1zdx s THR 65 Cb -0.16 -3.02 0.25 0.00 1.34 0.00 0.00 72.50 70.91 1zdx s THR 65 CO 0.06 -0.01 1.86 -0.09 -0.54 0.00 0.00 174.62 175.89 1zdx h ARG 66 N -0.26 1.02 -0.72 3.99 2.43 -1.72 -1.24 114.38 117.88 1zdx h ARG 66 Ca -0.43 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 58.66 1zdx h ARG 66 Cb 1.30 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 1zdx h ARG 66 CO 0.56 0.67 0.38 0.00 -1.51 0.00 0.00 179.97 180.08 1zdx h ALA 67 N 1.44 0.93 0.02 2.80 0.00 -1.80 -0.29 119.26 122.36 1zdx h ALA 67 Ca 0.41 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1zdx h ALA 67 Cb 0.22 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1zdx h ALA 67 CO -0.19 0.46 -0.01 1.96 0.00 0.00 0.00 179.25 181.47 1zdx h GLN 68 N 1.00 -0.03 0.00 0.00 1.08 -1.67 0.12 115.11 115.61 1zdx h GLN 68 Ca 0.25 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1zdx h GLN 68 Cb 0.06 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1zdx h GLN 68 CO -0.04 0.19 -0.00 -0.07 -0.95 0.00 0.00 178.83 177.96 1zdx h LEU 69 N -0.24 -0.00 -1.10 1.46 3.38 -1.08 -0.61 115.31 117.12 1zdx h LEU 69 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1zdx h LEU 69 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1zdx h LEU 69 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1zdx h ALA 70 N 0.99 1.00 -0.07 1.53 0.00 -1.03 -0.87 119.26 120.81 1zdx h ALA 70 Ca -0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1zdx h ALA 70 Cb 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1zdx h ALA 70 CO 0.00 0.00 -0.59 1.03 0.00 0.00 0.00 179.25 179.69 1zdx h SER 71 N 0.00 0.26 0.28 0.00 0.87 0.83 -2.21 113.55 113.58 1zdx h SER 71 Ca 0.00 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.41 1zdx h SER 71 Cb 0.30 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.19 1zdx h SER 71 CO 0.00 0.79 0.00 0.23 -0.53 0.00 0.00 176.83 177.32 1zdx n MET 72 N -3.88 0.59 -1.01 2.24 2.81 -0.45 -4.89 117.12 112.53 1zdx n MET 72 Ca -0.02 0.02 -0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1zdx n MET 72 Cb 0.61 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.61 1zdx n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1zdx n GLY 73 N 0.86 0.44 3.70 3.03 0.00 -0.83 -4.50 105.19 107.88 1zdx n GLY 73 Ca 0.16 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 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 -0.03 3.63 -4.55 0.99 0.00 -0.51 -1.53 117.00 115.00 1zdx n LEU 74 Ca -0.00 1.19 -0.41 0.00 0.00 0.00 0.00 56.01 56.79 1zdx n LEU 74 Cb 0.01 -1.49 -0.03 0.00 0.00 0.00 0.00 43.42 41.91 1zdx n LEU 74 CO 0.00 -0.37 1.22 0.21 0.00 0.00 0.00 177.39 178.46 1zdx s ASN 75 N -0.08 6.14 0.49 1.96 3.84 -0.99 -4.27 114.94 122.03 1zdx s ASN 75 Ca 0.59 -0.50 0.17 0.00 0.21 0.00 0.00 52.86 53.33 1zdx s ASN 75 Cb -0.57 -2.56 1.20 0.00 -0.55 0.00 0.00 41.25 38.77 1zdx s ASN 75 CO 0.58 -1.84 2.07 0.71 -2.79 0.00 0.00 177.10 175.83 1zdx h THR 76 N 6.15 0.99 0.00 -5.21 1.35 -1.91 -2.24 112.91 112.03 1zdx h THR 76 Ca -0.23 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1zdx h THR 76 Cb 1.05 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 1zdx h THR 76 CO 1.29 0.10 0.00 0.00 -0.25 0.00 0.00 175.52 176.66 1zdx h ALA 77 N 1.90 1.00 0.00 6.62 0.00 -1.95 -2.99 119.26 123.83 1zdx h ALA 77 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1zdx h ALA 77 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1zdx h ALA 77 CO 0.01 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.69 1zdx n SER 78 N -2.94 0.46 -4.08 0.00 7.64 -0.84 -4.42 113.62 109.44 1zdx n SER 78 Ca 0.02 0.60 -0.34 0.00 1.01 0.00 0.00 58.87 60.17 1zdx n SER 78 Cb 0.39 -0.70 -0.13 0.00 -1.01 0.00 0.00 64.21 62.76 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 -3.19 2.80 -0.17 0.44 1.01 -1.13 -5.05 120.40 115.12 1zdx s VAL 79 Ca 0.06 -2.11 -0.36 0.00 0.00 0.00 0.00 61.98 59.58 1zdx s VAL 79 Cb 0.10 -2.94 -0.13 0.00 0.00 0.00 0.00 36.38 33.42 1zdx s VAL 79 CO 0.39 -0.58 1.88 0.00 0.00 0.00 0.00 175.10 176.79 1zdx n ALA 80 N 4.45 0.62 0.00 5.51 0.00 -1.26 -1.02 120.51 128.81 1zdx n ALA 80 Ca -0.01 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.70 1zdx n ALA 80 Cb 0.42 -2.44 0.00 0.00 0.00 0.00 0.00 19.45 17.43 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 4.57 0.57 0.10 0.00 0.00 -1.26 -4.95 105.19 104.21 1zdx n GLY 81 Ca 0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.15 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 -1.32 0.72 0.00 1.61 0.00 -0.19 -4.60 117.12 113.35 1zdx n MET 82 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 57.70 57.79 1zdx n MET 82 Cb 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 33.22 31.81 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 -2.97 0.89 0.00 6.12 6.94 -1.23 -2.91 115.26 122.09 1zdx n ASN 83 Ca -0.34 -1.91 0.00 0.00 -0.02 0.00 0.00 54.58 52.31 1zdx n ASN 83 Cb 0.92 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.89 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 -0.02 0.38 0.00 -4.53 -0.00 -1.26 -5.07 117.00 106.51 1zdx n LEU 84 Ca 0.00 -0.38 -0.22 0.00 -0.00 0.00 0.00 56.01 55.41 1zdx n LEU 84 Cb 0.22 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.61 1zdx n LEU 84 CO 0.00 0.10 -0.09 0.00 -0.00 0.00 0.00 177.39 177.40 1zdx n LEU 85 N -0.09 0.00 -4.86 1.47 -0.00 -1.15 -5.13 117.00 107.25 1zdx n LEU 85 Ca 0.00 -2.22 -0.31 0.00 -0.00 0.00 0.00 56.01 53.48 1zdx n LEU 85 Cb 0.42 0.15 0.02 0.00 -0.00 0.00 0.00 43.42 44.00 1zdx n LEU 85 CO 0.00 -0.39 0.72 0.00 -0.00 0.00 0.00 177.39 177.72 1zdx s ALA 86 N -2.61 3.01 -1.49 1.47 0.00 -1.26 -4.94 121.76 115.94 1zdx s ALA 86 Ca 0.09 -0.09 0.28 0.00 0.00 0.00 0.00 51.96 52.24 1zdx s ALA 86 Cb -0.01 -3.09 1.14 0.00 0.00 0.00 0.00 23.12 21.17 1zdx s ALA 86 CO 0.06 -0.82 1.82 -0.25 0.00 0.00 0.00 175.76 176.56 1zdx n ASP 87 N -2.83 0.42 -1.42 0.00 9.92 -1.26 -2.85 116.55 118.52 1zdx n ASP 87 Ca 0.06 -0.40 -0.06 0.00 -0.53 0.00 0.00 54.79 53.86 1zdx n ASP 87 Cb 0.54 -0.09 0.10 0.00 -0.64 0.00 0.00 41.12 41.04 1zdx n ASP 87 CO 0.00 0.00 0.00 -0.90 0.13 0.00 0.00 177.20 176.43 1zdx n ASP 88 N -1.08 2.86 -4.87 -2.24 5.75 -1.26 -3.90 116.55 111.81 1zdx n ASP 88 Ca 0.12 -3.50 -0.31 0.00 -0.01 0.00 0.00 54.79 51.10 1zdx n ASP 88 Cb 0.29 -0.43 -0.01 0.00 -1.03 0.00 0.00 41.12 39.94 1zdx n ASP 88 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1zdx s ALA 89 N -3.11 3.19 -1.15 2.12 0.00 -1.22 -4.91 121.76 116.68 1zdx s ALA 89 Ca 0.42 -0.09 -0.17 0.00 0.00 0.00 0.00 51.96 52.12 1zdx s ALA 89 Cb 0.38 -2.94 0.13 0.00 0.00 0.00 0.00 23.12 20.69 1zdx s ALA 89 CO -0.04 -0.36 1.45 0.00 0.00 0.00 0.00 175.76 176.81 1zdx s VAL 91 N 2.76 2.68 -1.56 0.00 1.01 -0.40 -4.89 120.40 120.00 1zdx s VAL 91 Ca 0.44 0.60 -0.10 0.00 0.00 0.00 0.00 61.98 62.91 1zdx s VAL 91 Cb -0.01 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 1zdx s VAL 91 CO -0.01 0.11 2.76 -0.81 0.00 0.00 0.00 175.10 177.15 1zdx n PRO 92 N 1.94 3.64 -0.28 2.72 -0.04 -1.26 -4.57 135.00 137.14 1zdx n PRO 92 Ca 0.05 -2.42 0.09 0.00 -0.04 0.00 0.00 63.50 61.18 1zdx n PRO 92 Cb 0.41 -2.87 0.24 0.00 -0.04 0.00 0.00 33.50 31.23 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 7.42 0.28 -0.24 1.53 7.12 -1.90 0.13 115.31 129.66 1zdx h LEU 93 Ca 0.80 0.13 0.00 0.00 0.13 0.00 0.00 57.88 58.94 1zdx h LEU 93 Cb 0.35 0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.60 1zdx h LEU 93 CO 1.78 0.05 -0.01 0.35 -0.13 0.00 0.00 178.44 180.47 1zdx n THR 94 N -5.03 0.00 -0.02 1.05 -2.24 -1.26 -1.02 114.28 105.76 1zdx n THR 94 Ca 0.18 -0.06 -0.02 0.00 -2.27 0.00 0.00 64.05 61.87 1zdx n THR 94 Cb 0.52 -0.23 -0.02 0.00 -2.10 0.00 0.00 70.33 68.50 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 -0.76 0.19 0.23 4.28 -1.04 -0.13 -4.58 114.28 112.47 1zdx n THR 95 Ca 0.21 -0.07 0.12 0.00 -2.04 0.00 0.00 64.05 62.26 1zdx n THR 95 Cb 0.19 -0.64 0.43 0.00 -1.82 0.00 0.00 70.33 68.49 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 -0.00 0.00 -4.77 -2.82 2.07 -0.91 -3.38 114.93 105.12 1zdx h MET 96 Ca -0.08 0.00 -0.65 0.00 -2.07 0.00 0.00 59.70 56.91 1zdx h MET 96 Cb 1.11 0.00 -0.37 0.00 -1.87 0.00 0.00 31.60 30.48 1zdx h MET 96 CO -0.01 0.15 -0.81 0.08 1.07 0.00 0.00 176.91 177.38 1zdx s VAL 97 N -3.51 1.93 0.89 -2.22 1.01 -0.19 -4.97 120.40 113.35 1zdx s VAL 97 Ca 0.02 -1.27 -0.11 0.00 0.00 0.00 0.00 61.98 60.62 1zdx s VAL 97 Cb 0.09 -1.98 0.13 0.00 0.00 0.00 0.00 36.38 34.61 1zdx s VAL 97 CO 0.63 0.14 1.09 -1.58 0.00 0.00 0.00 175.10 175.37 1zdx s GLN 98 N 1.25 1.30 0.00 2.72 0.74 -1.26 -3.93 119.66 120.49 1zdx s GLN 98 Ca -0.04 0.83 0.00 0.00 0.05 0.00 0.00 55.36 56.20 1zdx s GLN 98 Cb -0.17 -1.81 0.00 0.00 1.10 0.00 0.00 33.01 32.12 1zdx s GLN 98 CO -0.08 -2.21 0.00 -3.47 -0.55 0.00 0.00 175.29 168.98 1zdx n ASP 99 N -3.86 0.00 -4.49 6.67 -0.08 -1.26 -4.58 116.55 108.94 1zdx n ASP 99 Ca 0.07 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 53.01 1zdx n ASP 99 Cb 0.55 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.11 1zdx n ASP 99 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1zdx n ALA 100 N 0.00 -1.62 -2.75 -1.67 0.00 -1.25 -4.85 120.51 108.37 1zdx n ALA 100 Ca 0.00 -0.39 -0.09 0.00 0.00 0.00 0.00 53.44 52.96 1zdx n ALA 100 Cb 0.00 -1.91 -0.07 0.00 0.00 0.00 0.00 19.45 17.48 1zdx n ALA 100 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1zdx s THR 101 N -2.12 0.09 -0.37 0.00 -4.23 -1.07 -4.85 115.64 103.08 1zdx s THR 101 Ca 0.64 -1.19 0.12 0.00 -1.18 0.00 0.00 61.69 60.07 1zdx s THR 101 Cb -0.29 -1.61 0.35 0.00 1.34 0.00 0.00 72.50 72.29 1zdx s THR 101 CO 0.60 -0.39 0.74 0.00 -0.54 0.00 0.00 174.62 175.04 1zdx n ALA 102 N -0.18 1.88 -2.48 3.99 0.00 -1.26 -2.15 120.51 120.31 1zdx n ALA 102 Ca -0.11 -3.31 -0.43 0.00 0.00 0.00 0.00 53.44 49.59 1zdx n ALA 102 Cb 0.63 -0.94 -0.02 0.00 0.00 0.00 0.00 19.45 19.12 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 -2.29 2.66 -0.74 0.00 5.04 -1.04 -4.73 115.29 114.19 1zdx s HIS 103 Ca 0.39 0.75 -0.27 0.00 -1.54 0.00 0.00 55.06 54.39 1zdx s HIS 103 Cb 0.34 -4.28 0.02 0.00 0.04 0.00 0.00 32.58 28.71 1zdx s HIS 103 CO -0.08 -1.57 1.39 -1.17 -2.34 0.00 0.00 174.74 170.98 1zdx s LEU 104 N 4.77 3.20 -0.98 8.88 2.96 -1.26 -1.10 118.68 135.15 1zdx s LEU 104 Ca 0.54 -0.37 -0.23 0.00 -0.22 0.00 0.00 54.13 53.84 1zdx s LEU 104 Cb -0.11 -2.56 0.04 0.00 0.50 0.00 0.00 46.19 44.07 1zdx s LEU 104 CO 0.30 -1.92 1.46 -0.62 -1.32 0.00 0.00 176.35 174.25 1zdx s ASP 105 N 4.58 6.39 0.39 3.68 3.68 -1.09 -4.83 116.67 129.47 1zdx s ASP 105 Ca 0.41 -1.30 0.17 0.00 2.13 0.00 0.00 52.55 53.96 1zdx s ASP 105 Cb -0.08 -2.57 0.82 0.00 -1.45 0.00 0.00 42.92 39.64 1zdx s ASP 105 CO 0.14 -1.61 1.83 1.62 0.13 0.00 0.00 175.17 177.29 1zdx h VAL 106 N 6.75 1.04 -0.45 1.11 3.04 -1.92 -0.05 116.25 125.78 1zdx h VAL 106 Ca 0.14 -1.25 -0.13 0.00 -1.01 0.00 0.00 66.70 64.45 1zdx h VAL 106 Cb 1.01 1.72 -0.01 0.00 -2.01 0.00 0.00 31.29 32.00 1zdx h VAL 106 CO 1.40 0.33 -0.23 1.23 -1.01 0.00 0.00 177.57 179.30 1zdx h GLY 107 N 1.37 1.03 0.08 3.17 0.00 -1.96 -2.63 103.07 104.13 1zdx h GLY 107 Ca -0.00 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.39 1zdx h GLY 107 CO 0.04 0.85 -0.59 -0.18 0.00 0.00 0.00 176.54 176.67 1zdx n GLN 108 N -4.14 0.46 -3.80 4.80 -0.06 -1.25 -4.98 117.38 108.42 1zdx n GLN 108 Ca -0.01 -0.34 -0.26 0.00 -2.00 0.00 0.00 57.00 54.40 1zdx n GLN 108 Cb 0.46 -1.49 0.01 0.00 -4.06 0.00 0.00 30.24 25.16 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 -0.97 -3.17 -3.68 3.69 6.02 -0.53 -4.99 117.38 113.75 1zdx n GLN 109 Ca 0.07 0.48 -0.28 0.00 -0.01 0.00 0.00 57.00 57.27 1zdx n GLN 109 Cb 0.37 -4.62 -0.16 0.00 1.02 0.00 0.00 30.24 26.85 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 -6.21 0.50 -0.88 -1.09 3.52 -0.14 -2.41 118.95 112.23 1zdx s ARG 110 Ca 0.13 -0.56 -0.25 0.00 -0.13 0.00 0.00 55.73 54.93 1zdx s ARG 110 Cb -0.05 -1.85 0.03 0.00 -1.56 0.00 0.00 34.95 31.52 1zdx s ARG 110 CO 0.86 -0.80 1.42 -1.17 -0.81 0.00 0.00 175.30 174.79 1zdx s LEU 111 N 1.89 3.33 -1.08 -0.88 2.96 0.55 -2.69 118.68 122.76 1zdx s LEU 111 Ca 0.04 -0.93 -0.23 0.00 -0.22 0.00 0.00 54.13 52.80 1zdx s LEU 111 Cb -0.17 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 1zdx s LEU 111 CO -0.18 -1.74 1.84 0.20 -1.32 0.00 0.00 176.35 175.15 1zdx s ASN 112 N 4.71 5.55 0.11 3.68 0.01 -0.26 -0.86 114.94 127.88 1zdx s ASN 112 Ca 0.43 -1.42 -0.23 0.00 -0.71 0.00 0.00 52.86 50.93 1zdx s ASN 112 Cb -0.04 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 38.97 1zdx s ASN 112 CO 0.02 -2.45 0.68 -0.22 -1.51 0.00 0.00 177.10 173.62 1zdx s LEU 113 N 8.81 4.55 0.02 0.60 1.98 0.44 -2.51 118.68 132.57 1zdx s LEU 113 Ca 0.64 1.45 0.01 0.00 -2.89 0.00 0.00 54.13 53.34 1zdx s LEU 113 Cb -0.02 -3.11 -0.02 0.00 0.66 0.00 0.00 46.19 43.71 1zdx s LEU 113 CO 0.04 0.23 -0.05 -0.89 -1.89 0.00 0.00 176.35 173.79 1zdx s THR 114 N -1.04 0.29 -0.08 3.68 2.01 -0.91 -1.03 115.64 118.55 1zdx s THR 114 Ca 0.33 -0.72 -0.05 0.00 0.31 0.00 0.00 61.69 61.56 1zdx s THR 114 Cb -0.21 -0.35 0.03 0.00 0.01 0.00 0.00 72.50 71.98 1zdx s THR 114 CO 0.23 -0.28 0.19 -0.63 -0.69 0.00 0.00 174.62 173.43 1zdx s ILE 115 N -0.99 -0.02 0.36 1.82 -1.09 -1.26 -2.59 121.20 117.42 1zdx s ILE 115 Ca -0.09 0.09 -0.28 0.00 -2.23 0.00 0.00 60.65 58.15 1zdx s ILE 115 Cb -0.07 -0.29 -0.10 0.00 -1.58 0.00 0.00 42.46 40.42 1zdx s ILE 115 CO -0.00 0.04 1.35 -2.16 -1.23 0.00 0.00 174.94 172.93 1zdx s PRO 116 N 0.72 4.20 0.00 2.79 0.04 -1.26 -4.87 135.00 136.61 1zdx s PRO 116 Ca -0.05 2.29 0.11 0.00 0.04 0.00 0.00 61.00 63.39 1zdx s PRO 116 Cb -0.07 -2.97 0.49 0.00 0.04 0.00 0.00 34.50 32.00 1zdx s PRO 116 CO -0.04 -0.35 1.34 1.04 0.04 0.00 0.00 177.00 179.03 1zdx n GLN 117 N 0.54 0.02 -0.09 4.56 1.13 -1.26 -0.82 117.38 121.46 1zdx n GLN 117 Ca 0.01 0.29 -0.12 0.00 -1.94 0.00 0.00 57.00 55.24 1zdx n GLN 117 Cb 0.42 -1.50 0.01 0.00 0.11 0.00 0.00 30.24 29.27 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 2.40 0.64 -0.20 -1.58 0.00 -1.96 -3.33 119.26 115.23 1zdx h ALA 118 Ca 0.00 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.33 1zdx h ALA 118 Cb 0.18 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.79 1zdx h ALA 118 CO 0.00 0.67 0.16 1.19 0.00 0.00 0.00 179.25 181.28 1zdx n PHE 119 N -4.05 0.64 -3.72 0.00 3.01 -0.00 -4.72 117.46 108.62 1zdx n PHE 119 Ca -0.02 -1.21 -0.24 0.00 1.01 0.00 0.00 57.45 56.99 1zdx n PHE 119 Cb 0.54 -0.60 -0.17 0.00 -0.01 0.00 0.00 39.48 39.24 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 -0.73 0.40 -0.58 -1.08 -1.94 -1.25 -2.35 119.30 111.76 1zdx s MET 120 Ca 0.13 0.04 -0.26 0.00 -1.71 0.00 0.00 55.69 53.88 1zdx s MET 120 Cb 0.10 -1.21 -0.06 0.00 2.01 0.00 0.00 34.83 35.67 1zdx s MET 120 CO 0.01 -0.42 2.18 0.45 -0.01 0.00 0.00 175.02 177.22 1zdx s SER 121 N 2.02 4.73 0.03 3.03 0.15 -0.58 -4.49 113.70 118.58 1zdx s SER 121 Ca 0.03 0.62 0.00 0.00 0.70 0.00 0.00 55.95 57.30 1zdx s SER 121 Cb -0.14 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.66 1zdx s SER 121 CO -0.06 -2.77 0.00 0.59 1.20 0.00 0.00 173.24 172.20 1zdx n ASN 122 N 14.88 0.00 -3.87 5.45 3.02 -1.26 -4.46 115.26 129.02 1zdx n ASN 122 Ca 0.32 0.00 -0.12 0.00 -0.03 0.00 0.00 54.58 54.75 1zdx n ASN 122 Cb 0.52 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.56 1zdx n ASN 122 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1zdx s ARG 123 N 0.00 0.02 -1.08 3.52 1.81 -1.26 -5.03 118.95 116.93 1zdx s ARG 123 Ca 0.00 -0.00 -0.23 0.00 -1.72 0.00 0.00 55.73 53.78 1zdx s ARG 123 Cb 0.00 0.01 -0.01 0.00 -0.45 0.00 0.00 34.95 34.49 1zdx s ARG 123 CO 0.00 -0.00 1.79 0.00 -0.68 0.00 0.00 175.30 176.41 1zdx s ALA 124 N -0.03 2.23 0.00 2.13 0.00 -1.26 -4.97 121.76 119.86 1zdx s ALA 124 Ca -0.00 -2.10 0.00 0.00 0.00 0.00 0.00 51.96 49.85 1zdx s ALA 124 Cb -0.00 -4.60 0.00 0.00 0.00 0.00 0.00 23.12 18.52 1zdx s ALA 124 CO -0.00 -4.38 0.00 0.54 0.00 0.00 0.00 175.76 171.92