#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 -5.36 -0.99 1.61 -0.06 -1.26 -5.06 117.38 106.26 1zdx n GLN 26 Ca 0.00 3.81 -0.02 0.00 -2.00 0.00 0.00 57.00 58.78 1zdx n GLN 26 Cb 0.00 -4.37 -0.03 0.00 -4.06 0.00 0.00 30.24 21.78 1zdx n GLN 26 CO 0.00 0.00 0.00 -0.85 -0.20 0.00 0.00 177.06 176.01 1zdx n GLU 27 N 1.93 0.00 -3.15 3.69 0.28 -0.51 -4.99 120.64 117.89 1zdx n GLU 27 Ca 0.00 -1.08 0.04 0.00 -0.16 0.00 0.00 57.16 55.96 1zdx n GLU 27 Cb 0.00 0.19 -0.01 0.00 1.43 0.00 0.00 31.44 33.05 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 -1.35 0.45 -1.84 1.43 -0.73 -4.97 118.68 111.67 1zdx s LEU 28 Ca 0.09 0.73 -0.21 0.00 -1.03 0.00 0.00 54.13 53.71 1zdx s LEU 28 Cb 0.10 2.09 -0.09 0.00 0.03 0.00 0.00 46.19 48.31 1zdx s LEU 28 CO -0.04 -0.25 1.00 -2.16 0.23 0.00 0.00 176.35 175.13 1zdx s PRO 29 N 2.86 4.01 0.92 1.29 0.04 -1.26 -4.50 135.00 138.36 1zdx s PRO 29 Ca 0.18 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.40 1zdx s PRO 29 Cb -0.14 -2.19 0.14 0.00 0.04 0.00 0.00 34.50 32.36 1zdx s PRO 29 CO -0.21 -0.24 1.11 -1.25 0.04 0.00 0.00 177.00 176.45 1zdx s PRO 30 N -3.11 1.05 0.00 0.56 0.04 -1.26 -4.98 135.00 127.30 1zdx s PRO 30 Ca 0.64 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.96 1zdx s PRO 30 Cb -0.14 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1zdx s PRO 30 CO 0.18 -2.52 0.00 0.41 0.04 0.00 0.00 177.00 175.11 1zdx n GLY 31 N -0.19 -0.55 2.91 0.56 0.00 -0.93 -5.03 105.19 101.96 1zdx n GLY 31 Ca 0.09 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.89 -0.01 -0.04 2.61 -1.32 -1.26 -1.01 115.64 110.72 1zdx s THR 32 Ca 0.00 0.03 0.05 0.00 -1.21 0.00 0.00 61.69 60.55 1zdx s THR 32 Cb 0.00 -0.09 -0.01 0.00 -1.51 0.00 0.00 72.50 70.90 1zdx s THR 32 CO 0.00 0.01 -0.18 -0.72 -2.21 0.00 0.00 174.62 171.52 1zdx s TYR 33 N 0.16 1.73 -0.09 9.09 -0.85 -0.64 -4.90 117.35 121.84 1zdx s TYR 33 Ca -0.01 -0.46 -0.28 0.00 -0.52 0.00 0.00 57.07 55.79 1zdx s TYR 33 Cb -0.02 -1.16 -0.02 0.00 0.38 0.00 0.00 41.96 41.15 1zdx s TYR 33 CO -0.00 -0.14 0.95 0.50 -1.52 0.00 0.00 175.55 175.33 1zdx s ARG 34 N -0.07 4.43 0.37 -3.49 3.00 -1.26 -0.59 118.95 121.33 1zdx s ARG 34 Ca -0.01 1.29 -0.16 0.00 -1.00 0.00 0.00 55.73 55.84 1zdx s ARG 34 Cb -0.11 -3.53 0.05 0.00 0.00 0.00 0.00 34.95 31.37 1zdx s ARG 34 CO 0.02 -0.24 0.79 0.14 0.00 0.00 0.00 175.30 176.01 1zdx s VAL 35 N 1.76 0.00 -0.27 7.11 -7.23 -0.79 -4.90 120.40 116.08 1zdx s VAL 35 Ca 0.46 -0.99 -0.11 0.00 -1.81 0.00 0.00 61.98 59.53 1zdx s VAL 35 Cb -0.18 -2.80 -0.05 0.00 0.56 0.00 0.00 36.38 33.90 1zdx s VAL 35 CO 0.19 0.00 0.19 -1.81 -0.31 0.00 0.00 175.10 173.36 1zdx s ASP 36 N -3.06 6.05 -0.23 4.85 1.01 -0.73 -2.47 116.67 122.08 1zdx s ASP 36 Ca 0.15 0.02 -0.29 0.00 0.71 0.00 0.00 52.55 53.14 1zdx s ASP 36 Cb -0.05 -2.12 -0.01 0.00 1.01 0.00 0.00 42.92 41.75 1zdx s ASP 36 CO 0.11 -0.03 1.30 -0.63 0.21 0.00 0.00 175.17 176.13 1zdx s ILE 37 N 1.62 4.19 -0.54 0.77 1.01 0.29 -0.61 121.20 127.93 1zdx s ILE 37 Ca 0.07 1.39 0.02 0.00 0.00 0.00 0.00 60.65 62.13 1zdx s ILE 37 Cb -0.15 -4.06 0.14 0.00 0.01 0.00 0.00 42.46 38.39 1zdx s ILE 37 CO 0.10 -0.31 0.30 -0.31 0.00 0.00 0.00 174.94 174.71 1zdx s TYR 38 N 4.00 3.27 0.03 3.97 2.02 0.00 -0.65 117.35 130.00 1zdx s TYR 38 Ca 0.56 -3.05 -0.30 0.00 -0.37 0.00 0.00 57.07 53.92 1zdx s TYR 38 Cb -0.19 -2.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.40 1zdx s TYR 38 CO 0.19 -0.78 0.98 -1.17 -1.57 0.00 0.00 175.55 173.20 1zdx s LEU 39 N -0.17 4.41 -1.33 -1.29 2.96 -1.26 -0.41 118.68 121.59 1zdx s LEU 39 Ca 0.17 1.70 -0.08 0.00 -0.22 0.00 0.00 54.13 55.70 1zdx s LEU 39 Cb -0.24 -3.58 0.05 0.00 0.50 0.00 0.00 46.19 42.93 1zdx s LEU 39 CO -0.01 -0.20 0.49 0.59 -1.32 0.00 0.00 176.35 175.89 1zdx n ASN 40 N 3.56 -4.21 -1.25 3.68 3.02 -0.80 -0.30 115.26 118.96 1zdx n ASN 40 Ca 0.05 -0.34 -0.12 0.00 -0.03 0.00 0.00 54.58 54.14 1zdx n ASN 40 Cb 0.50 -3.47 -0.02 0.00 -0.61 0.00 0.00 39.78 36.19 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 -2.31 -3.91 -0.10 6.41 3.02 -1.26 -4.96 115.26 112.15 1zdx n ASN 41 Ca -0.04 0.05 0.03 0.00 -0.03 0.00 0.00 54.58 54.59 1zdx n ASN 41 Cb 0.56 -2.99 0.04 0.00 -0.61 0.00 0.00 39.78 36.79 1zdx n ASN 41 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1zdx n GLY 42 N -1.13 1.95 2.51 7.41 0.00 0.59 -5.10 105.19 111.42 1zdx n GLY 42 Ca -0.13 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1zdx n GLY 42 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1zdx n TYR 43 N -0.59 0.00 -0.12 1.61 9.36 -1.26 -4.83 117.16 121.34 1zdx n TYR 43 Ca 0.05 0.00 -0.15 0.00 3.32 0.00 0.00 57.90 61.11 1zdx n TYR 43 Cb 0.48 -0.84 -0.12 0.00 -0.63 0.00 0.00 39.34 38.24 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 2.26 0.66 -3.53 2.98 2.81 0.18 -4.96 117.12 117.52 1zdx n MET 44 Ca 0.00 0.11 -0.09 0.00 -1.81 0.00 0.00 57.70 55.91 1zdx n MET 44 Cb 0.00 -1.48 -0.02 0.00 -0.71 0.00 0.00 33.22 31.01 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 -2.47 -1.67 -0.21 3.04 0.00 -1.22 -4.89 121.76 114.33 1zdx s ALA 45 Ca -0.28 0.61 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 1zdx s ALA 45 Cb 0.08 0.65 0.07 0.00 0.00 0.00 0.00 23.12 23.92 1zdx s ALA 45 CO 0.59 -0.79 0.08 0.99 0.00 0.00 0.00 175.76 176.63 1zdx s THR 46 N -3.44 0.15 0.32 0.00 2.01 -1.26 -0.54 115.64 112.87 1zdx s THR 46 Ca 0.05 -0.47 -0.11 0.00 0.31 0.00 0.00 61.69 61.46 1zdx s THR 46 Cb -0.01 -0.85 0.02 0.00 0.01 0.00 0.00 72.50 71.66 1zdx s THR 46 CO -0.08 -0.38 0.60 0.00 -0.69 0.00 0.00 174.62 174.07 1zdx s ARG 47 N 2.02 1.90 0.23 4.92 1.70 -1.03 -4.97 118.95 123.72 1zdx s ARG 47 Ca 0.03 -1.43 -0.32 0.00 -0.47 0.00 0.00 55.73 53.54 1zdx s ARG 47 Cb -0.16 0.53 -0.13 0.00 -0.57 0.00 0.00 34.95 34.61 1zdx s ARG 47 CO -0.15 -0.83 1.46 -0.40 -1.08 0.00 0.00 175.30 174.30 1zdx n ASP 48 N -1.02 2.95 -3.71 -2.89 5.68 -1.26 -1.88 116.55 114.42 1zdx n ASP 48 Ca -0.03 1.13 -0.29 0.00 -0.50 0.00 0.00 54.79 55.10 1zdx n ASP 48 Cb 0.61 -1.45 -0.15 0.00 -1.14 0.00 0.00 41.12 38.99 1zdx n ASP 48 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1zdx s VAL 49 N 0.16 0.61 0.14 2.12 1.01 0.24 -4.93 120.40 119.74 1zdx s VAL 49 Ca 0.70 -1.01 -0.31 0.00 0.00 0.00 0.00 61.98 61.36 1zdx s VAL 49 Cb -0.64 -1.35 -0.08 0.00 0.00 0.00 0.00 36.38 34.32 1zdx s VAL 49 CO 0.47 -0.52 1.29 -0.89 0.00 0.00 0.00 175.10 175.45 1zdx s THR 50 N 1.77 3.49 0.09 3.92 2.01 -1.26 -1.63 115.64 124.04 1zdx s THR 50 Ca 0.06 1.14 0.05 0.00 0.31 0.00 0.00 61.69 63.25 1zdx s THR 50 Cb -0.17 -3.73 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 1zdx s THR 50 CO -0.21 0.13 -0.14 0.72 -0.69 0.00 0.00 174.62 174.43 1zdx s PHE 51 N 0.62 1.25 0.25 4.92 -0.71 -0.18 -0.13 117.98 124.01 1zdx s PHE 51 Ca 0.59 -0.52 0.02 0.00 -1.04 0.00 0.00 56.93 55.99 1zdx s PHE 51 Cb -0.34 -0.68 -0.04 0.00 -1.21 0.00 0.00 43.02 40.75 1zdx s PHE 51 CO 0.33 0.08 0.18 -0.80 -1.34 0.00 0.00 175.22 173.67 1zdx s ASN 52 N -2.06 0.79 -1.26 1.98 0.01 0.26 -2.19 114.94 112.48 1zdx s ASN 52 Ca 0.02 -1.53 -0.17 0.00 -0.71 0.00 0.00 52.86 50.48 1zdx s ASN 52 Cb -0.07 0.44 0.10 0.00 0.41 0.00 0.00 41.25 42.13 1zdx s ASN 52 CO 0.02 -0.92 1.62 -0.89 -1.51 0.00 0.00 177.10 175.42 1zdx s THR 53 N -3.87 4.43 0.20 1.60 2.01 -1.26 -0.77 115.64 117.98 1zdx s THR 53 Ca 0.39 -2.12 0.07 0.00 0.31 0.00 0.00 61.69 60.34 1zdx s THR 53 Cb 0.05 -5.09 -0.05 0.00 0.01 0.00 0.00 72.50 67.42 1zdx s THR 53 CO 0.18 -1.88 -0.12 -0.83 -0.69 0.00 0.00 174.62 171.27 1zdx s GLY 54 N 3.78 1.42 -0.45 4.40 0.00 -1.25 -4.96 107.32 110.26 1zdx s GLY 54 Ca 0.50 -1.66 -0.24 0.00 0.00 0.00 0.00 44.72 43.31 1zdx s GLY 54 CO 0.05 -1.73 0.84 -0.35 0.00 0.00 0.00 173.10 171.90 1zdx s ASP 55 N -3.31 6.46 0.27 1.64 3.68 -1.26 -1.37 116.67 122.79 1zdx s ASP 55 Ca 0.23 0.03 0.06 0.00 2.13 0.00 0.00 52.55 54.99 1zdx s ASP 55 Cb 0.01 -2.41 -0.02 0.00 -1.45 0.00 0.00 42.92 39.04 1zdx s ASP 55 CO 0.06 -0.95 0.24 -1.20 0.13 0.00 0.00 175.17 173.45 1zdx n SER 56 N 6.87 -0.60 -0.18 -0.34 7.64 -1.26 -4.91 113.62 120.85 1zdx n SER 56 Ca 0.04 -2.76 -0.03 0.00 1.01 0.00 0.00 58.87 57.13 1zdx n SER 56 Cb 0.48 1.38 0.04 0.00 -1.01 0.00 0.00 64.21 65.10 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 -0.06 -0.08 1.43 5.08 -1.93 -1.72 114.58 117.30 1zdx h GLU 57 Ca -0.19 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.01 1zdx h GLU 57 Cb 0.97 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.22 1zdx h GLU 57 CO 0.28 -0.04 -0.68 1.96 -1.00 0.00 0.00 179.01 179.53 1zdx h GLN 58 N -0.06 0.33 0.00 2.33 7.50 -1.94 -3.43 115.11 119.84 1zdx h GLN 58 Ca 0.26 -0.25 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1zdx h GLN 58 Cb 0.45 0.05 0.00 0.00 0.05 0.00 0.00 27.48 28.03 1zdx h GLN 58 CO -0.59 0.89 0.00 0.41 -1.50 0.00 0.00 178.83 178.04 1zdx n GLY 59 N 0.45 0.93 3.20 3.46 0.00 -0.65 -1.43 105.19 111.15 1zdx n GLY 59 Ca -0.03 -0.09 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 0.15 0.01 -0.61 -4.36 -0.47 -3.78 121.20 110.14 1zdx s ILE 60 Ca 0.00 -1.25 -0.01 0.00 -0.26 0.00 0.00 60.65 59.13 1zdx s ILE 60 Cb 0.00 -1.38 -0.01 0.00 1.25 0.00 0.00 42.46 42.32 1zdx s ILE 60 CO 0.00 -0.67 0.00 0.68 0.24 0.00 0.00 174.94 175.20 1zdx s VAL 61 N -3.87 0.09 0.51 8.37 -7.23 0.05 -4.47 120.40 113.85 1zdx s VAL 61 Ca 0.06 -0.72 -0.20 0.00 -1.81 0.00 0.00 61.98 59.31 1zdx s VAL 61 Cb 0.05 -0.25 -0.07 0.00 0.56 0.00 0.00 36.38 36.67 1zdx s VAL 61 CO -0.10 -0.39 1.07 -2.16 -0.31 0.00 0.00 175.10 173.21 1zdx s PRO 62 N -1.19 3.60 -1.08 4.82 0.04 -1.26 -0.57 135.00 139.36 1zdx s PRO 62 Ca -0.13 1.45 -0.22 0.00 0.04 0.00 0.00 61.00 62.14 1zdx s PRO 62 Cb -0.08 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.43 1zdx s PRO 62 CO -0.00 -0.62 1.64 0.00 0.04 0.00 0.00 177.00 178.05 1zdx s LEU 64 N 6.09 4.52 0.36 0.00 1.43 -1.26 -4.82 118.68 124.99 1zdx s LEU 64 Ca 0.54 1.36 0.04 0.00 -1.03 0.00 0.00 54.13 55.04 1zdx s LEU 64 Cb -0.00 -3.09 -0.06 0.00 0.03 0.00 0.00 46.19 43.07 1zdx s LEU 64 CO -0.02 0.23 0.05 0.42 0.23 0.00 0.00 176.35 177.25 1zdx s THR 65 N -1.18 1.30 0.31 5.49 -4.23 -1.26 -0.86 115.64 115.20 1zdx s THR 65 Ca 0.33 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.87 1zdx s THR 65 Cb -0.20 -2.77 0.29 0.00 1.34 0.00 0.00 72.50 71.16 1zdx s THR 65 CO 0.21 0.00 1.86 0.03 -0.54 0.00 0.00 174.62 176.18 1zdx h ARG 66 N 1.99 0.89 0.13 3.99 2.47 -1.80 -1.61 114.38 120.45 1zdx h ARG 66 Ca -0.41 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.25 1zdx h ARG 66 Cb 1.25 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.37 1zdx h ARG 66 CO 0.71 0.59 -0.06 0.00 0.56 0.00 0.00 179.97 181.77 1zdx h ALA 67 N 1.55 -0.18 -0.96 0.04 0.00 -1.86 -1.47 119.26 116.39 1zdx h ALA 67 Ca 0.46 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.28 1zdx h ALA 67 Cb 0.48 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1zdx h ALA 67 CO -0.22 -0.45 0.61 1.96 0.00 0.00 0.00 179.25 181.15 1zdx h GLN 68 N -0.48 1.05 0.05 0.00 1.08 -1.70 0.23 115.11 115.35 1zdx h GLN 68 Ca -0.02 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1zdx h GLN 68 Cb 0.38 -0.24 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 1zdx h GLN 68 CO 0.03 0.70 -0.02 -0.07 -0.95 0.00 0.00 178.83 178.51 1zdx h LEU 69 N 1.09 -0.06 -2.20 1.46 3.38 -1.39 -2.95 115.31 114.63 1zdx h LEU 69 Ca 0.42 -0.59 0.05 0.00 0.09 0.00 0.00 57.88 57.85 1zdx h LEU 69 Cb 0.21 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1zdx h LEU 69 CO -0.19 0.63 0.18 0.00 0.09 0.00 0.00 178.44 179.15 1zdx h ALA 70 N -0.02 1.87 0.51 1.53 0.00 -0.78 -1.60 119.26 120.77 1zdx h ALA 70 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1zdx h ALA 70 Cb 0.65 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1zdx h ALA 70 CO 0.01 -0.27 -0.24 1.03 0.00 0.00 0.00 179.25 179.78 1zdx h SER 71 N 0.00 -0.58 0.00 0.00 0.87 -0.54 -2.49 113.55 110.81 1zdx h SER 71 Ca 0.08 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 1zdx h SER 71 Cb 0.44 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1zdx h SER 71 CO -0.00 -0.21 0.00 1.15 -0.53 0.00 0.00 176.83 177.24 1zdx n MET 72 N -5.27 0.21 -0.68 2.24 0.00 -0.97 -4.80 117.12 107.84 1zdx n MET 72 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.59 1zdx n MET 72 Cb 0.32 -1.30 0.00 0.00 0.00 0.00 0.00 33.22 32.23 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 -0.47 0.70 3.77 3.17 0.00 -0.94 -4.65 105.19 106.77 1zdx n GLY 73 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 1zdx n GLY 73 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1zdx s LEU 74 N 0.00 4.36 -0.84 0.99 1.98 -0.64 -2.37 118.68 122.15 1zdx s LEU 74 Ca 0.00 2.89 -0.20 0.00 -2.89 0.00 0.00 54.13 53.93 1zdx s LEU 74 Cb 0.00 -3.65 0.11 0.00 0.66 0.00 0.00 46.19 43.31 1zdx s LEU 74 CO 0.00 -0.78 1.06 0.21 -1.89 0.00 0.00 176.35 174.95 1zdx s ASN 75 N -0.01 6.49 0.31 3.68 3.84 -0.19 -3.98 114.94 125.08 1zdx s ASN 75 Ca 0.55 -1.76 0.22 0.00 0.21 0.00 0.00 52.86 52.08 1zdx s ASN 75 Cb -0.44 -2.40 1.14 0.00 -0.55 0.00 0.00 41.25 39.00 1zdx s ASN 75 CO 0.55 -1.16 1.67 0.35 -2.79 0.00 0.00 177.10 175.72 1zdx n THR 76 N 5.60 1.00 0.68 -5.21 -2.24 -1.26 -1.91 114.28 110.94 1zdx n THR 76 Ca 0.15 0.65 0.11 0.00 -2.27 0.00 0.00 64.05 62.69 1zdx n THR 76 Cb 0.48 -1.63 0.05 0.00 -2.10 0.00 0.00 70.33 67.12 1zdx n THR 76 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1zdx n ALA 77 N -1.78 3.55 0.12 6.98 0.00 -1.26 -2.69 120.51 125.42 1zdx n ALA 77 Ca -0.01 -0.41 0.01 0.00 0.00 0.00 0.00 53.44 53.03 1zdx n ALA 77 Cb 0.07 -0.98 0.33 0.00 0.00 0.00 0.00 19.45 18.87 1zdx n ALA 77 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1zdx h SER 78 N 0.00 0.21 -3.62 0.00 0.02 -1.74 -3.43 113.55 105.00 1zdx h SER 78 Ca 0.00 -0.06 -0.68 0.00 -0.84 0.00 0.00 61.79 60.20 1zdx h SER 78 Cb 0.67 -0.06 -0.19 0.00 0.14 0.00 0.00 62.40 62.96 1zdx h SER 78 CO 0.00 0.47 -0.36 -0.69 -1.14 0.00 0.00 176.83 175.11 1zdx s VAL 79 N -4.48 5.21 -0.29 2.27 1.01 -1.25 -5.00 120.40 117.86 1zdx s VAL 79 Ca -0.05 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 1zdx s VAL 79 Cb 0.15 -3.85 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 1zdx s VAL 79 CO 0.74 -0.17 2.24 0.00 0.00 0.00 0.00 175.10 177.91 1zdx n ALA 80 N 5.29 1.51 0.00 5.51 0.00 -1.26 -1.41 120.51 130.15 1zdx n ALA 80 Ca -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1zdx n ALA 80 Cb 0.49 -2.85 0.00 0.00 0.00 0.00 0.00 19.45 17.08 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 6.00 1.06 0.11 0.00 0.00 -1.26 -4.97 105.19 106.13 1zdx n GLY 81 Ca 0.34 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.80 0.68 0.00 1.61 0.00 -0.50 -4.63 117.12 112.47 1zdx n MET 82 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 57.70 57.75 1zdx n MET 82 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 33.22 31.70 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 -2.94 0.31 0.00 6.12 6.94 -1.10 -1.77 115.26 122.83 1zdx n ASN 83 Ca -0.37 -0.90 0.00 0.00 -0.02 0.00 0.00 54.58 53.29 1zdx n ASN 83 Cb 1.10 -0.15 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 0.03 0.55 -4.84 -4.53 -0.00 -1.26 -5.08 117.00 101.87 1zdx n LEU 84 Ca 0.00 -0.55 -0.32 0.00 -0.00 0.00 0.00 56.01 55.14 1zdx n LEU 84 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.50 1zdx n LEU 84 CO 0.00 0.14 0.71 -0.76 -0.00 0.00 0.00 177.39 177.47 1zdx s LEU 85 N -0.20 3.38 1.04 1.47 2.01 -0.73 -5.06 118.68 120.60 1zdx s LEU 85 Ca 0.00 1.55 -0.15 0.00 0.01 0.00 0.00 54.13 55.54 1zdx s LEU 85 Cb 0.00 -4.49 0.21 0.00 0.01 0.00 0.00 46.19 41.92 1zdx s LEU 85 CO 0.00 -0.91 1.13 0.00 1.01 0.00 0.00 176.35 177.58 1zdx s ALA 86 N -2.88 1.11 -2.00 4.21 0.00 -1.26 -4.86 121.76 116.08 1zdx s ALA 86 Ca 0.58 -0.66 0.16 0.00 0.00 0.00 0.00 51.96 52.04 1zdx s ALA 86 Cb -0.12 -3.00 0.96 0.00 0.00 0.00 0.00 23.12 20.97 1zdx s ALA 86 CO 0.44 -2.93 1.38 -3.47 0.00 0.00 0.00 175.76 171.18 1zdx n ASP 87 N -4.24 0.00 -2.07 0.00 2.03 -1.26 -3.28 116.55 107.73 1zdx n ASP 87 Ca 0.09 -0.55 -0.03 0.00 0.52 0.00 0.00 54.79 54.82 1zdx n ASP 87 Cb 0.59 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 41.05 1zdx n ASP 87 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1zdx n ASP 88 N -0.98 -1.16 -1.36 1.67 5.68 -1.26 -4.58 116.55 114.56 1zdx n ASP 88 Ca 0.12 -1.97 0.08 0.00 -0.50 0.00 0.00 54.79 52.53 1zdx n ASP 88 Cb 0.06 0.50 0.32 0.00 -1.14 0.00 0.00 41.12 40.86 1zdx n ASP 88 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1zdx n ALA 89 N -0.97 3.07 -3.83 2.12 0.00 -1.25 -4.93 120.51 114.72 1zdx n ALA 89 Ca -0.18 -1.75 -0.27 0.00 0.00 0.00 0.00 53.44 51.24 1zdx n ALA 89 Cb 0.78 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 19.35 1zdx n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1zdx n VAL 91 N -4.32 0.00 -1.75 0.00 0.31 -0.04 -4.74 118.33 107.79 1zdx n VAL 91 Ca -0.23 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.68 1zdx n VAL 91 Cb 0.65 -0.39 -0.02 0.00 -0.91 0.00 0.00 33.84 33.17 1zdx n VAL 91 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1zdx n PRO 92 N 3.99 2.48 -0.02 5.55 -0.04 -1.26 -4.54 135.00 141.16 1zdx n PRO 92 Ca 0.30 -2.51 -0.09 0.00 -0.04 0.00 0.00 63.50 61.16 1zdx n PRO 92 Cb -0.04 -3.26 -0.03 0.00 -0.04 0.00 0.00 33.50 30.12 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 11.95 -0.34 -0.89 1.53 5.85 -1.93 -0.29 115.31 131.20 1zdx h LEU 93 Ca 0.49 0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.28 1zdx h LEU 93 Cb 0.71 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1zdx h LEU 93 CO 1.79 -0.14 0.00 0.35 -0.34 0.00 0.00 178.44 180.10 1zdx n THR 94 N -5.25 0.03 -0.73 1.05 -2.24 -1.26 -0.68 114.28 105.20 1zdx n THR 94 Ca -0.03 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1zdx n THR 94 Cb 0.17 -0.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.98 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 -0.06 0.00 0.00 4.28 -1.04 -0.68 -4.87 114.28 111.91 1zdx n THR 95 Ca 0.00 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.96 1zdx n THR 95 Cb 0.23 1.73 0.00 0.00 -1.82 0.00 0.00 70.33 70.46 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 -0.02 3.95 -3.96 -2.82 0.00 -0.20 -4.96 117.12 109.11 1zdx n MET 96 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.70 57.40 1zdx n MET 96 Cb 0.18 -0.71 -0.14 0.00 0.00 0.00 0.00 33.22 32.55 1zdx n MET 96 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1zdx s VAL 97 N -1.40 2.52 0.13 1.12 1.01 0.14 -5.05 120.40 118.86 1zdx s VAL 97 Ca 0.00 -3.16 -0.31 0.00 0.00 0.00 0.00 61.98 58.51 1zdx s VAL 97 Cb 0.00 -2.77 -0.08 0.00 0.00 0.00 0.00 36.38 33.53 1zdx s VAL 97 CO 0.00 -0.77 1.42 -1.58 0.00 0.00 0.00 175.10 174.17 1zdx s GLN 98 N -0.09 4.30 0.00 2.72 2.00 -1.26 -2.40 119.66 124.93 1zdx s GLN 98 Ca 0.16 2.13 0.00 0.00 -2.00 0.00 0.00 55.36 55.65 1zdx s GLN 98 Cb -0.25 -3.23 0.00 0.00 0.80 0.00 0.00 33.01 30.33 1zdx s GLN 98 CO -0.01 -0.46 0.00 -3.47 -0.50 0.00 0.00 175.29 170.84 1zdx n ASP 99 N 3.90 0.00 -4.94 6.67 4.64 -1.26 -4.71 116.55 120.85 1zdx n ASP 99 Ca 0.12 0.00 -0.25 0.00 -1.38 0.00 0.00 54.79 53.27 1zdx n ASP 99 Cb 0.42 0.00 -0.02 0.00 -1.04 0.00 0.00 41.12 40.47 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 -2.26 3.80 0.19 -1.67 0.00 -1.01 -4.41 121.76 116.39 1zdx s ALA 100 Ca 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 51.96 50.89 1zdx s ALA 100 Cb 0.00 -1.99 0.02 0.00 0.00 0.00 0.00 23.12 21.15 1zdx s ALA 100 CO 0.00 0.26 0.47 0.95 0.00 0.00 0.00 175.76 177.44 1zdx s THR 101 N -2.02 0.04 -0.12 0.00 -4.23 -0.99 -4.76 115.64 103.55 1zdx s THR 101 Ca 0.38 -0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 59.96 1zdx s THR 101 Cb -0.10 -1.61 0.05 0.00 1.34 0.00 0.00 72.50 72.18 1zdx s THR 101 CO 0.31 -0.17 0.09 0.00 -0.54 0.00 0.00 174.62 174.32 1zdx s ALA 102 N -3.89 0.26 -0.26 3.99 0.00 -1.26 -3.01 121.76 117.59 1zdx s ALA 102 Ca 0.10 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 52.07 1zdx s ALA 102 Cb 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 23.12 22.29 1zdx s ALA 102 CO -0.03 -0.88 -0.11 -1.58 0.00 0.00 0.00 175.76 173.16 1zdx s HIS 103 N 2.18 3.25 -0.65 0.00 5.04 -0.02 -4.91 115.29 120.18 1zdx s HIS 103 Ca 0.03 -2.29 -0.28 0.00 -1.54 0.00 0.00 55.06 50.99 1zdx s HIS 103 Cb -0.14 -1.94 0.03 0.00 0.04 0.00 0.00 32.58 30.57 1zdx s HIS 103 CO -0.07 -0.87 1.29 -1.17 -2.34 0.00 0.00 174.74 171.58 1zdx s LEU 104 N 1.11 3.30 -1.20 8.88 1.98 -1.26 -0.58 118.68 130.91 1zdx s LEU 104 Ca -0.08 -0.12 -0.19 0.00 -2.89 0.00 0.00 54.13 50.84 1zdx s LEU 104 Cb -0.20 -2.84 0.07 0.00 0.66 0.00 0.00 46.19 43.88 1zdx s LEU 104 CO -0.05 -1.72 1.62 -0.62 -1.89 0.00 0.00 176.35 173.69 1zdx s ASP 105 N 3.72 6.74 0.40 3.68 3.68 0.47 -4.86 116.67 130.50 1zdx s ASP 105 Ca 0.41 -2.15 0.09 0.00 2.13 0.00 0.00 52.55 53.03 1zdx s ASP 105 Cb -0.08 -2.56 0.87 0.00 -1.45 0.00 0.00 42.92 39.70 1zdx s ASP 105 CO 0.20 -1.25 2.01 1.62 0.13 0.00 0.00 175.17 177.87 1zdx h VAL 106 N 5.92 1.02 -0.96 1.11 3.04 -1.93 -0.34 116.25 124.11 1zdx h VAL 106 Ca 0.36 -0.20 0.08 0.00 -1.01 0.00 0.00 66.70 65.94 1zdx h VAL 106 Cb 0.92 0.39 -0.07 0.00 -2.01 0.00 0.00 31.29 30.52 1zdx h VAL 106 CO 1.43 0.10 0.62 1.23 -1.01 0.00 0.00 177.57 179.94 1zdx h GLY 107 N 0.58 1.45 -1.78 3.17 0.00 -1.95 -1.86 103.07 102.67 1zdx h GLY 107 Ca 0.24 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 47.14 1zdx h GLY 107 CO -0.07 0.26 0.00 -1.06 0.00 0.00 0.00 176.54 175.68 1zdx n GLN 108 N -4.53 2.26 -4.16 4.80 1.13 -0.79 -4.95 117.38 111.15 1zdx n GLN 108 Ca 0.16 -1.85 -0.33 0.00 -1.94 0.00 0.00 57.00 53.04 1zdx n GLN 108 Cb 0.25 -1.47 -0.03 0.00 0.11 0.00 0.00 30.24 29.10 1zdx n GLN 108 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 1zdx n GLN 109 N 1.19 -2.88 -3.94 -1.09 6.02 -0.54 -4.95 117.38 111.18 1zdx n GLN 109 Ca 0.16 0.34 -0.30 0.00 -0.01 0.00 0.00 57.00 57.19 1zdx n GLN 109 Cb 0.56 -4.75 -0.15 0.00 1.02 0.00 0.00 30.24 26.92 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 -6.87 1.53 -1.28 -1.09 3.52 -0.25 -1.78 118.95 112.73 1zdx s ARG 110 Ca 0.44 -1.18 -0.18 0.00 -0.13 0.00 0.00 55.73 54.67 1zdx s ARG 110 Cb -0.24 -2.64 0.07 0.00 -1.56 0.00 0.00 34.95 30.57 1zdx s ARG 110 CO 0.93 -0.70 1.73 -1.17 -0.81 0.00 0.00 175.30 175.27 1zdx s LEU 111 N 1.31 3.82 0.18 -0.88 2.96 0.21 -0.40 118.68 125.89 1zdx s LEU 111 Ca -0.01 -2.39 -0.33 0.00 -0.22 0.00 0.00 54.13 51.17 1zdx s LEU 111 Cb -0.19 -2.58 -0.14 0.00 0.50 0.00 0.00 46.19 43.79 1zdx s LEU 111 CO -0.09 -1.20 1.56 0.59 -1.32 0.00 0.00 176.35 175.89 1zdx n ASN 112 N 8.47 3.13 -3.99 3.68 3.02 0.26 -0.82 115.26 129.00 1zdx n ASN 112 Ca 0.48 1.09 -0.09 0.00 -0.03 0.00 0.00 54.58 56.04 1zdx n ASN 112 Cb 0.46 -1.44 -0.10 0.00 -0.61 0.00 0.00 39.78 38.09 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 0.75 2.15 0.00 3.41 2.96 0.45 -0.84 118.68 127.56 1zdx s LEU 113 Ca 0.76 -0.66 -0.12 0.00 -0.22 0.00 0.00 54.13 53.89 1zdx s LEU 113 Cb -0.66 0.32 0.02 0.00 0.50 0.00 0.00 46.19 46.37 1zdx s LEU 113 CO 0.40 -0.47 0.26 -0.89 -1.32 0.00 0.00 176.35 174.32 1zdx s THR 114 N -2.62 0.07 0.04 3.68 2.01 -1.16 -1.90 115.64 115.76 1zdx s THR 114 Ca -0.05 -0.61 -0.00 0.00 0.31 0.00 0.00 61.69 61.34 1zdx s THR 114 Cb -0.01 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.80 1zdx s THR 114 CO -0.05 -0.33 -0.04 -0.63 -0.69 0.00 0.00 174.62 172.88 1zdx s ILE 115 N -1.68 0.25 0.42 1.82 1.01 -1.26 -2.36 121.20 119.41 1zdx s ILE 115 Ca -0.12 -1.43 -0.24 0.00 0.00 0.00 0.00 60.65 58.86 1zdx s ILE 115 Cb -0.05 -1.00 -0.08 0.00 0.01 0.00 0.00 42.46 41.35 1zdx s ILE 115 CO 0.02 -0.75 1.18 -2.16 0.00 0.00 0.00 174.94 173.22 1zdx s PRO 116 N -2.81 3.93 0.54 2.79 0.04 -1.26 -4.88 135.00 133.34 1zdx s PRO 116 Ca -0.02 1.85 0.23 0.00 0.04 0.00 0.00 61.00 63.09 1zdx s PRO 116 Cb -0.00 -2.58 1.41 0.00 0.04 0.00 0.00 34.50 33.36 1zdx s PRO 116 CO -0.05 -0.43 2.07 1.96 0.04 0.00 0.00 177.00 180.59 1zdx h GLN 117 N 2.41 0.00 -0.19 4.56 1.08 -1.99 -0.85 115.11 120.14 1zdx h GLN 117 Ca -0.49 0.00 0.06 0.00 -1.45 0.00 0.00 58.65 56.77 1zdx h GLN 117 Cb 1.24 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.66 1zdx h GLN 117 CO 0.62 0.00 0.15 0.00 -0.95 0.00 0.00 178.83 178.64 1zdx h ALA 118 N 1.83 2.10 -0.98 3.87 0.00 -2.01 -2.77 119.26 121.31 1zdx h ALA 118 Ca 0.13 -0.01 -0.64 0.00 0.00 0.00 0.00 54.91 54.40 1zdx h ALA 118 Cb 0.56 0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.07 1zdx h ALA 118 CO -0.00 -0.25 0.75 1.19 0.00 0.00 0.00 179.25 180.94 1zdx n PHE 119 N -4.34 3.15 -3.86 0.00 3.01 -0.32 -4.89 117.46 110.21 1zdx n PHE 119 Ca 0.02 -2.77 -0.27 0.00 1.01 0.00 0.00 57.45 55.45 1zdx n PHE 119 Cb 0.29 -1.30 -0.17 0.00 -0.01 0.00 0.00 39.48 38.29 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 -3.72 1.25 0.14 -1.08 -1.94 -1.05 -1.02 119.30 111.90 1zdx s MET 120 Ca 0.63 -0.28 -0.11 0.00 -1.71 0.00 0.00 55.69 54.21 1zdx s MET 120 Cb 0.50 -1.65 -0.04 0.00 2.01 0.00 0.00 34.83 35.65 1zdx s MET 120 CO 0.01 -0.36 1.48 0.77 -0.01 0.00 0.00 175.02 176.92 1zdx h SER 121 N 8.19 1.00 -2.93 3.03 0.02 -1.76 -3.46 113.55 117.65 1zdx h SER 121 Ca -0.25 -0.46 -0.16 0.00 -0.84 0.00 0.00 61.79 60.08 1zdx h SER 121 Cb 1.12 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 63.34 1zdx h SER 121 CO 0.37 1.25 -0.14 0.59 -1.14 0.00 0.00 176.83 177.77 1zdx n ASN 122 N -4.07 -0.42 -0.17 3.07 3.02 -1.26 -5.04 115.26 110.39 1zdx n ASN 122 Ca -0.02 -1.86 0.02 0.00 -0.03 0.00 0.00 54.58 52.68 1zdx n ASN 122 Cb 0.53 0.86 0.05 0.00 -0.61 0.00 0.00 39.78 40.61 1zdx n ASN 122 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1zdx n ARG 123 N -0.26 -0.07 -1.63 3.52 1.85 -1.26 -4.79 116.66 114.03 1zdx n ARG 123 Ca 0.02 0.72 -0.17 0.00 -1.00 0.00 0.00 57.85 57.42 1zdx n ARG 123 Cb 0.25 -1.07 -0.06 0.00 -1.05 0.00 0.00 32.46 30.53 1zdx n ARG 123 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1zdx n ALA 124 N -3.80 -0.32 -0.88 2.89 0.00 -1.26 -5.09 120.51 112.04 1zdx n ALA 124 Ca 0.06 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1zdx n ALA 124 Cb 0.21 -1.75 0.00 0.00 0.00 0.00 0.00 19.45 17.91 1zdx n ALA 124 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39