#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 0.38 0.00 1.61 2.00 -1.25 -3.40 119.66 118.99 1zdx s GLN 26 Ca 0.00 0.18 0.00 0.00 -2.00 0.00 0.00 55.36 53.54 1zdx s GLN 26 Cb 0.00 -0.42 0.00 0.00 0.80 0.00 0.00 33.01 33.39 1zdx s GLN 26 CO 0.00 -0.93 0.67 -0.85 -0.50 0.00 0.00 175.29 173.68 1zdx n GLU 27 N 5.35 0.00 -3.66 1.67 0.28 -0.31 -4.97 120.64 119.00 1zdx n GLU 27 Ca -0.01 -0.64 -0.06 0.00 -0.16 0.00 0.00 57.16 56.29 1zdx n GLU 27 Cb 0.49 -0.43 -0.07 0.00 1.43 0.00 0.00 31.44 32.86 1zdx n GLU 27 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1zdx s LEU 28 N 0.00 -0.78 0.49 -1.84 2.96 -1.13 -5.04 118.68 113.34 1zdx s LEU 28 Ca 0.00 1.31 -0.15 0.00 -0.22 0.00 0.00 54.13 55.07 1zdx s LEU 28 Cb 0.00 1.96 -0.08 0.00 0.50 0.00 0.00 46.19 48.57 1zdx s LEU 28 CO 0.00 -0.22 0.93 -2.16 -1.32 0.00 0.00 176.35 173.58 1zdx s PRO 29 N 2.15 3.92 1.01 0.98 0.04 -1.26 -4.70 135.00 137.15 1zdx s PRO 29 Ca -0.07 0.85 -0.15 0.00 0.04 0.00 0.00 61.00 61.68 1zdx s PRO 29 Cb -0.09 -2.20 0.20 0.00 0.04 0.00 0.00 34.50 32.45 1zdx s PRO 29 CO -0.17 -0.21 1.14 -1.25 0.04 0.00 0.00 177.00 176.56 1zdx s PRO 30 N -3.98 0.30 0.00 0.56 0.04 -1.26 -5.02 135.00 125.64 1zdx s PRO 30 Ca 0.57 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.77 1zdx s PRO 30 Cb -0.10 -1.75 0.00 0.00 0.04 0.00 0.00 34.50 32.69 1zdx s PRO 30 CO 0.31 -2.74 0.00 0.41 0.04 0.00 0.00 177.00 175.01 1zdx n GLY 31 N -1.83 -0.50 2.93 0.56 0.00 -1.25 -5.05 105.19 100.06 1zdx n GLY 31 Ca 0.09 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 45.06 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 -3.69 0.45 0.23 2.61 -1.32 -1.26 -2.23 115.64 110.44 1zdx s THR 32 Ca 0.00 -0.18 0.08 0.00 -1.21 0.00 0.00 61.69 60.39 1zdx s THR 32 Cb 0.00 -0.42 -0.04 0.00 -1.51 0.00 0.00 72.50 70.53 1zdx s THR 32 CO 0.00 0.16 0.02 -0.72 -2.21 0.00 0.00 174.62 171.87 1zdx s TYR 33 N 0.27 2.80 -0.30 9.09 -0.85 -1.19 -4.93 117.35 122.24 1zdx s TYR 33 Ca -0.03 -0.18 -0.02 0.00 -0.52 0.00 0.00 57.07 56.32 1zdx s TYR 33 Cb -0.07 -1.28 0.05 0.00 0.38 0.00 0.00 41.96 41.03 1zdx s TYR 33 CO -0.00 0.57 0.00 0.50 -1.52 0.00 0.00 175.55 175.10 1zdx s ARG 34 N -3.44 2.49 0.08 -3.49 6.06 -1.26 -1.08 118.95 118.31 1zdx s ARG 34 Ca 0.30 -1.23 -0.07 0.00 -2.50 0.00 0.00 55.73 52.23 1zdx s ARG 34 Cb -0.08 -3.19 -0.01 0.00 0.06 0.00 0.00 34.95 31.74 1zdx s ARG 34 CO 0.20 -0.60 0.15 0.14 -2.50 0.00 0.00 175.30 172.69 1zdx s VAL 35 N 1.28 0.16 -0.37 7.11 -7.23 -0.91 -4.78 120.40 115.65 1zdx s VAL 35 Ca -0.04 -1.30 -0.20 0.00 -1.81 0.00 0.00 61.98 58.63 1zdx s VAL 35 Cb -0.19 -1.38 0.00 0.00 0.56 0.00 0.00 36.38 35.37 1zdx s VAL 35 CO -0.01 -0.71 0.59 -1.81 -0.31 0.00 0.00 175.10 172.85 1zdx s ASP 36 N -2.87 6.37 -0.52 4.85 1.01 0.05 -2.13 116.67 123.42 1zdx s ASP 36 Ca 0.06 -0.01 -0.28 0.00 0.71 0.00 0.00 52.55 53.03 1zdx s ASP 36 Cb 0.05 -2.30 -0.01 0.00 1.01 0.00 0.00 42.92 41.68 1zdx s ASP 36 CO -0.11 -0.58 1.65 -0.63 0.21 0.00 0.00 175.17 175.71 1zdx s ILE 37 N 2.60 3.57 -0.68 0.77 1.09 0.44 -0.08 121.20 128.91 1zdx s ILE 37 Ca 0.22 0.48 -0.17 0.00 -1.10 0.00 0.00 60.65 60.08 1zdx s ILE 37 Cb -0.15 -4.09 0.14 0.00 -1.06 0.00 0.00 42.46 37.31 1zdx s ILE 37 CO 0.15 -0.90 0.72 -0.31 -0.10 0.00 0.00 174.94 174.50 1zdx s TYR 38 N 7.24 3.27 -0.07 3.97 1.51 -0.42 -0.25 117.35 132.60 1zdx s TYR 38 Ca 0.64 -1.36 -0.29 0.00 -1.01 0.00 0.00 57.07 55.05 1zdx s TYR 38 Cb -0.14 -3.95 -0.02 0.00 -0.11 0.00 0.00 41.96 37.74 1zdx s TYR 38 CO 0.26 -1.18 0.97 -1.17 -1.11 0.00 0.00 175.55 173.32 1zdx s LEU 39 N 1.78 4.29 -1.59 -1.29 2.96 -1.26 -1.20 118.68 122.37 1zdx s LEU 39 Ca 0.14 1.54 -0.14 0.00 -0.22 0.00 0.00 54.13 55.44 1zdx s LEU 39 Cb -0.20 -3.52 0.11 0.00 0.50 0.00 0.00 46.19 43.08 1zdx s LEU 39 CO -0.00 -0.36 0.83 0.59 -1.32 0.00 0.00 176.35 176.08 1zdx n ASN 40 N 4.57 -3.55 -1.40 3.68 3.02 -0.58 -1.37 115.26 119.63 1zdx n ASN 40 Ca 0.07 -0.91 -0.18 0.00 -0.03 0.00 0.00 54.58 53.53 1zdx n ASN 40 Cb 0.50 -3.29 -0.08 0.00 -0.61 0.00 0.00 39.78 36.30 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 -2.78 -5.18 -3.18 6.41 5.03 -1.26 -4.93 115.26 109.37 1zdx n ASN 41 Ca 0.01 0.44 -0.21 0.00 0.87 0.00 0.00 54.58 55.69 1zdx n ASN 41 Cb 0.53 -4.28 -0.05 0.00 -1.02 0.00 0.00 39.78 34.97 1zdx n ASN 41 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1zdx n GLY 42 N -0.75 3.64 0.42 7.41 0.00 -0.47 -5.06 105.19 110.38 1zdx n GLY 42 Ca -0.18 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 0.63 0.00 -0.08 1.61 9.36 -1.26 -4.63 117.16 122.79 1zdx n TYR 43 Ca 0.25 0.00 -0.12 0.00 3.32 0.00 0.00 57.90 61.34 1zdx n TYR 43 Cb 0.57 -0.20 -0.07 0.00 -0.63 0.00 0.00 39.34 39.01 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 1.47 0.40 -3.65 2.98 2.81 0.65 -4.92 117.12 116.87 1zdx n MET 44 Ca 0.00 0.11 -0.05 0.00 -1.81 0.00 0.00 57.70 55.95 1zdx n MET 44 Cb 0.00 -1.30 -0.01 0.00 -0.71 0.00 0.00 33.22 31.20 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 -2.33 -1.80 -0.15 3.04 0.00 -1.24 -4.92 121.76 114.36 1zdx s ALA 45 Ca -0.22 0.56 -0.04 0.00 0.00 0.00 0.00 51.96 52.25 1zdx s ALA 45 Cb 0.06 0.50 0.06 0.00 0.00 0.00 0.00 23.12 23.73 1zdx s ALA 45 CO 0.37 -0.90 0.08 0.99 0.00 0.00 0.00 175.76 176.30 1zdx s THR 46 N -3.09 -0.04 0.33 0.00 2.01 -1.26 -0.42 115.64 113.16 1zdx s THR 46 Ca 0.10 -0.10 -0.17 0.00 0.31 0.00 0.00 61.69 61.82 1zdx s THR 46 Cb -0.01 -0.54 0.07 0.00 0.01 0.00 0.00 72.50 72.03 1zdx s THR 46 CO -0.03 -0.20 0.88 0.00 -0.69 0.00 0.00 174.62 174.59 1zdx s ARG 47 N 2.12 1.96 0.45 4.92 1.70 -0.91 -4.97 118.95 124.22 1zdx s ARG 47 Ca 0.02 -1.27 -0.25 0.00 -0.47 0.00 0.00 55.73 53.76 1zdx s ARG 47 Cb -0.15 0.54 -0.09 0.00 -0.57 0.00 0.00 34.95 34.68 1zdx s ARG 47 CO -0.08 -0.92 1.35 -0.40 -1.08 0.00 0.00 175.30 174.17 1zdx n ASP 48 N -1.45 2.87 -3.54 -2.89 5.75 -1.26 -2.14 116.55 113.90 1zdx n ASP 48 Ca -0.07 1.09 -0.29 0.00 -0.01 0.00 0.00 54.79 55.52 1zdx n ASP 48 Cb 0.60 -1.55 -0.12 0.00 -1.03 0.00 0.00 41.12 39.02 1zdx n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 1zdx s VAL 49 N -1.21 0.65 -0.12 2.12 1.01 -0.24 -4.95 120.40 117.65 1zdx s VAL 49 Ca 0.62 -2.25 -0.29 0.00 0.00 0.00 0.00 61.98 60.06 1zdx s VAL 49 Cb -0.47 -1.46 -0.06 0.00 0.00 0.00 0.00 36.38 34.39 1zdx s VAL 49 CO 0.57 -1.02 1.92 -0.89 0.00 0.00 0.00 175.10 175.68 1zdx s THR 50 N 0.55 3.25 0.46 3.92 2.01 -1.26 -3.19 115.64 121.38 1zdx s THR 50 Ca 0.21 0.28 0.08 0.00 0.31 0.00 0.00 61.69 62.58 1zdx s THR 50 Cb -0.17 -3.25 0.03 0.00 0.01 0.00 0.00 72.50 69.12 1zdx s THR 50 CO -0.04 -0.10 0.62 0.72 -0.69 0.00 0.00 174.62 175.13 1zdx s PHE 51 N 5.84 2.39 0.08 4.92 -0.71 -0.94 -0.50 117.98 129.06 1zdx s PHE 51 Ca 0.86 -0.50 -0.05 0.00 -1.04 0.00 0.00 56.93 56.20 1zdx s PHE 51 Cb -0.34 -2.31 -0.02 0.00 -1.21 0.00 0.00 43.02 39.14 1zdx s PHE 51 CO 0.35 -0.61 0.10 0.54 -1.34 0.00 0.00 175.22 174.26 1zdx s ASN 52 N -4.43 0.27 0.39 1.98 2.20 -0.23 -3.76 114.94 111.36 1zdx s ASN 52 Ca 0.56 -0.82 -0.27 0.00 -0.94 0.00 0.00 52.86 51.39 1zdx s ASN 52 Cb -0.08 0.29 -0.10 0.00 -2.00 0.00 0.00 41.25 39.35 1zdx s ASN 52 CO 0.34 -0.68 1.39 0.35 -2.94 0.00 0.00 177.10 175.55 1zdx n THR 53 N -0.00 2.29 -3.96 0.54 -2.24 -1.26 -0.31 114.28 109.33 1zdx n THR 53 Ca -0.14 -0.50 0.01 0.00 -2.27 0.00 0.00 64.05 61.15 1zdx n THR 53 Cb 0.62 -1.77 0.01 0.00 -2.10 0.00 0.00 70.33 67.09 1zdx n THR 53 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zdx n GLY 54 N 0.63 0.36 3.58 3.38 0.00 -0.80 -4.71 105.19 107.62 1zdx n GLY 54 Ca 0.04 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 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 -3.56 6.49 0.05 1.61 1.11 -1.26 -3.45 116.67 117.66 1zdx s ASP 55 Ca 0.26 0.27 -0.02 0.00 0.18 0.00 0.00 52.55 53.25 1zdx s ASP 55 Cb -0.01 -2.36 0.01 0.00 1.07 0.00 0.00 42.92 41.63 1zdx s ASP 55 CO 0.01 -0.64 0.09 -1.20 1.18 0.00 0.00 175.17 174.62 1zdx n SER 56 N 6.17 -0.27 0.42 0.27 7.64 -1.26 -4.89 113.62 121.70 1zdx n SER 56 Ca 0.01 -1.18 -0.17 0.00 1.01 0.00 0.00 58.87 58.53 1zdx n SER 56 Cb 0.48 0.44 -0.08 0.00 -1.01 0.00 0.00 64.21 64.05 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 -1.03 0.00 1.43 4.39 -1.91 -0.57 114.58 116.89 1zdx h GLU 57 Ca -0.04 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1zdx h GLU 57 Cb 0.14 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1zdx h GLU 57 CO 0.05 -0.68 -0.01 1.96 -1.16 0.00 0.00 179.01 179.17 1zdx h GLN 58 N -1.25 0.00 0.00 2.33 7.50 -1.93 0.17 115.11 121.93 1zdx h GLN 58 Ca -0.11 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.04 1zdx h GLN 58 Cb 0.83 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.36 1zdx h GLN 58 CO 0.18 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 177.92 1zdx n GLY 59 N 1.12 1.17 3.17 3.46 0.00 -1.22 -1.16 105.19 111.73 1zdx n GLY 59 Ca 0.04 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.76 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 0.08 -0.04 -0.61 -4.36 -1.22 -1.90 121.20 111.15 1zdx s ILE 60 Ca 0.00 -0.67 0.03 0.00 -0.26 0.00 0.00 60.65 59.74 1zdx s ILE 60 Cb 0.00 -0.62 0.00 0.00 1.25 0.00 0.00 42.46 43.09 1zdx s ILE 60 CO 0.00 -0.37 -0.11 0.68 0.24 0.00 0.00 174.94 175.38 1zdx s VAL 61 N -1.69 0.95 0.61 8.37 -7.23 0.57 -4.80 120.40 117.19 1zdx s VAL 61 Ca -0.12 -0.44 -0.18 0.00 -1.81 0.00 0.00 61.98 59.43 1zdx s VAL 61 Cb -0.05 -0.85 -0.03 0.00 0.56 0.00 0.00 36.38 36.01 1zdx s VAL 61 CO 0.01 0.30 1.21 -2.84 -0.31 0.00 0.00 175.10 173.47 1zdx s PRO 62 N 0.28 2.86 -0.28 4.82 0.02 -1.26 -1.07 135.00 140.37 1zdx s PRO 62 Ca -0.06 1.83 -0.29 0.00 0.02 0.00 0.00 61.00 62.51 1zdx s PRO 62 Cb -0.11 -1.91 -0.01 0.00 0.02 0.00 0.00 34.50 32.49 1zdx s PRO 62 CO 0.01 -1.29 1.39 0.00 -0.33 0.00 0.00 177.00 176.78 1zdx s LEU 64 N 4.62 3.52 0.68 0.00 1.43 -1.26 -4.79 118.68 122.88 1zdx s LEU 64 Ca 0.61 -2.54 -0.11 0.00 -1.03 0.00 0.00 54.13 51.05 1zdx s LEU 64 Cb -0.19 -1.31 -0.00 0.00 0.03 0.00 0.00 46.19 44.72 1zdx s LEU 64 CO 0.25 -0.29 1.08 0.42 0.23 0.00 0.00 176.35 178.03 1zdx s THR 65 N 0.40 3.85 0.33 5.49 -4.23 -1.25 -3.09 115.64 117.15 1zdx s THR 65 Ca 0.15 0.60 0.12 0.00 -1.18 0.00 0.00 61.69 61.39 1zdx s THR 65 Cb -0.23 -3.59 0.33 0.00 1.34 0.00 0.00 72.50 70.35 1zdx s THR 65 CO -0.04 -0.78 1.65 -0.09 -0.54 0.00 0.00 174.62 174.81 1zdx h ARG 66 N -0.56 0.25 0.14 3.99 2.43 -1.77 0.61 114.38 119.47 1zdx h ARG 66 Ca -0.45 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1zdx h ARG 66 Cb 1.23 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1zdx h ARG 66 CO 0.63 0.17 -0.06 0.00 -1.51 0.00 0.00 179.97 179.19 1zdx h ALA 67 N 1.86 -0.18 -0.71 2.80 0.00 -1.83 -1.50 119.26 119.70 1zdx h ALA 67 Ca 0.71 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 55.53 1zdx h ALA 67 Cb 1.61 0.07 -0.11 0.00 0.00 0.00 0.00 17.79 19.36 1zdx h ALA 67 CO -0.64 -0.32 0.13 1.96 0.00 0.00 0.00 179.25 180.38 1zdx h GLN 68 N -0.74 0.22 0.39 0.00 1.08 -1.42 0.20 115.11 114.84 1zdx h GLN 68 Ca -0.02 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.15 1zdx h GLN 68 Cb 0.53 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1zdx h GLN 68 CO 0.03 0.15 -0.19 -0.07 -0.95 0.00 0.00 178.83 177.80 1zdx h LEU 69 N 0.23 -0.44 -2.38 1.46 3.38 -1.02 -2.81 115.31 113.73 1zdx h LEU 69 Ca 0.40 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1zdx h LEU 69 Cb 0.67 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1zdx h LEU 69 CO -0.52 -0.11 -0.03 0.00 0.09 0.00 0.00 178.44 177.87 1zdx h ALA 70 N -0.32 1.16 0.41 1.53 0.00 -0.74 -1.91 119.26 119.40 1zdx h ALA 70 Ca -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1zdx h ALA 70 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1zdx h ALA 70 CO 0.09 0.04 -0.20 0.77 0.00 0.00 0.00 179.25 179.95 1zdx h SER 71 N 0.00 -0.47 0.00 0.00 0.02 -0.42 -2.74 113.55 109.94 1zdx h SER 71 Ca -0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1zdx h SER 71 Cb 0.17 0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1zdx h SER 71 CO 0.00 -0.18 0.00 1.15 -1.14 0.00 0.00 176.83 176.66 1zdx n MET 72 N -5.25 0.45 -0.92 3.45 0.00 -0.91 -4.83 117.12 109.11 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 0.28 -1.08 0.00 0.00 0.00 0.00 0.00 33.22 32.42 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 -0.06 0.53 3.77 3.17 0.00 -1.03 -4.60 105.19 106.96 1zdx n GLY 73 Ca 0.02 -0.11 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 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 4.14 -0.70 0.99 1.98 -0.77 -0.60 118.68 123.73 1zdx s LEU 74 Ca 0.00 2.84 -0.18 0.00 -2.89 0.00 0.00 54.13 53.89 1zdx s LEU 74 Cb 0.00 -3.93 0.12 0.00 0.66 0.00 0.00 46.19 43.05 1zdx s LEU 74 CO 0.00 -1.08 0.82 0.21 -1.89 0.00 0.00 176.35 174.42 1zdx s ASN 75 N -0.58 6.36 0.53 3.68 2.47 -0.60 -4.18 114.94 122.62 1zdx s ASN 75 Ca 0.60 -1.72 0.23 0.00 0.42 0.00 0.00 52.86 52.39 1zdx s ASN 75 Cb -0.42 -2.32 1.38 0.00 -1.45 0.00 0.00 41.25 38.44 1zdx s ASN 75 CO 0.54 -1.05 2.04 0.71 -3.72 0.00 0.00 177.10 175.61 1zdx h THR 76 N 5.74 0.78 0.00 -5.21 1.35 -1.93 -1.22 112.91 112.42 1zdx h THR 76 Ca -0.14 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 1zdx h THR 76 Cb 1.07 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1zdx h THR 76 CO 1.06 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.33 1zdx h ALA 77 N 1.80 1.00 0.00 6.62 0.00 -1.97 -2.93 119.26 123.77 1zdx h ALA 77 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1zdx h ALA 77 Cb 0.75 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1zdx h ALA 77 CO -0.00 0.00 0.00 0.77 0.00 0.00 0.00 179.25 180.02 1zdx h SER 78 N 0.00 0.00 -3.26 0.00 0.02 -1.56 -3.45 113.55 105.31 1zdx h SER 78 Ca 0.00 0.00 -0.67 0.00 -0.84 0.00 0.00 61.79 60.28 1zdx h SER 78 Cb 0.60 0.00 -0.34 0.00 0.14 0.00 0.00 62.40 62.80 1zdx h SER 78 CO 0.00 0.00 -0.87 -0.69 -1.14 0.00 0.00 176.83 174.13 1zdx s VAL 79 N -3.32 2.02 0.22 2.27 1.01 -1.11 -5.04 120.40 116.46 1zdx s VAL 79 Ca 0.05 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 60.98 1zdx s VAL 79 Cb 0.10 -1.77 0.17 0.00 0.00 0.00 0.00 36.38 34.87 1zdx s VAL 79 CO 0.45 0.55 1.81 0.00 0.00 0.00 0.00 175.10 177.91 1zdx h ALA 80 N 7.09 0.99 -0.89 5.51 0.00 -1.87 -3.05 119.26 127.04 1zdx h ALA 80 Ca -0.27 0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.06 1zdx h ALA 80 Cb 1.21 -0.14 -0.39 0.00 0.00 0.00 0.00 17.79 18.47 1zdx h ALA 80 CO 0.52 0.09 -0.36 0.41 0.00 0.00 0.00 179.25 179.91 1zdx n GLY 81 N -1.30 6.22 0.62 0.00 0.00 -1.26 -4.73 105.19 104.74 1zdx n GLY 81 Ca 0.10 -2.59 -0.10 0.00 0.00 0.00 0.00 46.02 43.43 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 -0.73 0.20 0.00 1.61 0.00 -1.15 -4.71 117.12 112.34 1zdx n MET 82 Ca 0.48 0.08 0.00 0.00 0.00 0.00 0.00 57.70 58.26 1zdx n MET 82 Cb 0.84 -0.88 0.00 0.00 0.00 0.00 0.00 33.22 33.18 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 -3.33 0.03 0.00 6.12 6.94 -1.24 -1.93 115.26 121.84 1zdx n ASN 83 Ca -0.18 -0.39 0.00 0.00 -0.02 0.00 0.00 54.58 53.98 1zdx n ASN 83 Cb 0.64 -0.01 0.00 0.00 -2.36 0.00 0.00 39.78 38.04 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 -0.38 0.00 -4.86 -4.53 -0.00 -1.26 -5.08 117.00 100.89 1zdx n LEU 84 Ca 0.00 -0.32 -0.31 0.00 -0.00 0.00 0.00 56.01 55.38 1zdx n LEU 84 Cb 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1zdx n LEU 84 CO 0.00 0.00 0.69 -0.76 -0.00 0.00 0.00 177.39 177.32 1zdx s LEU 85 N -1.76 3.38 0.84 1.47 1.43 -0.81 -5.05 118.68 118.17 1zdx s LEU 85 Ca 0.00 1.44 -0.11 0.00 -1.03 0.00 0.00 54.13 54.43 1zdx s LEU 85 Cb 0.00 -4.45 0.10 0.00 0.03 0.00 0.00 46.19 41.87 1zdx s LEU 85 CO 0.00 -0.76 1.10 0.00 0.23 0.00 0.00 176.35 176.92 1zdx s ALA 86 N -2.98 1.88 -1.33 4.21 0.00 -1.26 -4.77 121.76 117.51 1zdx s ALA 86 Ca 0.56 0.27 0.10 0.00 0.00 0.00 0.00 51.96 52.89 1zdx s ALA 86 Cb -0.11 -3.30 0.50 0.00 0.00 0.00 0.00 23.12 20.22 1zdx s ALA 86 CO 0.46 -2.15 1.24 -0.40 0.00 0.00 0.00 175.76 174.91 1zdx n ASP 87 N -3.79 0.00 -2.34 0.00 5.75 -1.26 -2.56 116.55 112.36 1zdx n ASP 87 Ca 0.09 0.22 -0.01 0.00 -0.01 0.00 0.00 54.79 55.08 1zdx n ASP 87 Cb 0.53 -0.33 0.05 0.00 -1.03 0.00 0.00 41.12 40.33 1zdx n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1zdx n ASP 88 N -1.33 1.75 -4.78 -1.12 4.64 -1.26 -4.14 116.55 110.31 1zdx n ASP 88 Ca 0.04 -2.25 -0.36 0.00 -1.38 0.00 0.00 54.79 50.84 1zdx n ASP 88 Cb 0.09 -0.42 -0.08 0.00 -1.04 0.00 0.00 41.12 39.67 1zdx n ASP 88 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1zdx s ALA 89 N -2.81 3.59 -1.20 -1.67 0.00 -1.06 -5.00 121.76 113.61 1zdx s ALA 89 Ca 0.31 -0.74 -0.22 0.00 0.00 0.00 0.00 51.96 51.32 1zdx s ALA 89 Cb 0.35 -1.71 -0.06 0.00 0.00 0.00 0.00 23.12 21.70 1zdx s ALA 89 CO -0.07 0.62 1.89 0.00 0.00 0.00 0.00 175.76 178.21 1zdx s VAL 91 N 9.41 2.36 -1.27 0.00 1.01 -1.18 -4.87 120.40 125.86 1zdx s VAL 91 Ca 0.65 0.36 -0.17 0.00 0.00 0.00 0.00 61.98 62.82 1zdx s VAL 91 Cb 0.01 -3.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 1zdx s VAL 91 CO 0.12 0.08 2.06 -0.81 0.00 0.00 0.00 175.10 176.56 1zdx n PRO 92 N 0.87 2.56 -0.00 2.72 -0.04 -1.26 -4.52 135.00 135.32 1zdx n PRO 92 Ca 0.02 -2.56 -0.09 0.00 -0.04 0.00 0.00 63.50 60.83 1zdx n PRO 92 Cb 0.40 -3.28 -0.03 0.00 -0.04 0.00 0.00 33.50 30.56 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 11.71 -0.66 0.00 1.53 6.46 -1.89 0.17 115.31 132.63 1zdx h LEU 93 Ca 0.50 0.11 0.00 0.00 -0.12 0.00 0.00 57.88 58.37 1zdx h LEU 93 Cb 0.70 0.30 0.00 0.00 -0.73 0.00 0.00 40.66 40.93 1zdx h LEU 93 CO 1.79 -0.26 0.00 0.35 -0.62 0.00 0.00 178.44 179.70 1zdx n THR 94 N -5.35 0.00 -0.02 1.05 -2.24 -1.26 -0.56 114.28 105.90 1zdx n THR 94 Ca -0.03 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.69 1zdx n THR 94 Cb 0.26 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 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 -0.61 1.05 0.19 4.28 -1.04 -0.68 -4.84 114.28 112.64 1zdx n THR 95 Ca 0.04 0.13 0.03 0.00 -2.04 0.00 0.00 64.05 62.20 1zdx n THR 95 Cb 0.02 -1.80 0.38 0.00 -1.82 0.00 0.00 70.33 67.11 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 -0.39 0.00 -4.92 -2.82 2.07 -0.43 -3.35 114.93 105.09 1zdx h MET 96 Ca -0.11 0.00 -0.66 0.00 -2.07 0.00 0.00 59.70 56.86 1zdx h MET 96 Cb 0.72 0.00 -0.26 0.00 -1.87 0.00 0.00 31.60 30.19 1zdx h MET 96 CO -0.06 0.35 -0.67 0.08 1.07 0.00 0.00 176.91 177.68 1zdx s VAL 97 N -4.21 3.79 0.37 -2.22 1.01 0.28 -4.95 120.40 114.46 1zdx s VAL 97 Ca -0.03 -0.49 -0.13 0.00 0.00 0.00 0.00 61.98 61.34 1zdx s VAL 97 Cb 0.14 -2.82 -0.08 0.00 0.00 0.00 0.00 36.38 33.63 1zdx s VAL 97 CO 0.72 0.29 0.77 -1.58 0.00 0.00 0.00 175.10 175.30 1zdx s GLN 98 N 1.52 3.90 0.00 2.72 0.74 -1.26 -3.77 119.66 123.50 1zdx s GLN 98 Ca 0.05 0.60 0.00 0.00 0.05 0.00 0.00 55.36 56.06 1zdx s GLN 98 Cb -0.15 -2.39 0.00 0.00 1.10 0.00 0.00 33.01 31.57 1zdx s GLN 98 CO 0.00 0.04 0.00 -3.47 -0.55 0.00 0.00 175.29 171.31 1zdx n ASP 99 N -0.88 0.00 -4.84 6.67 4.64 -1.26 -4.63 116.55 116.25 1zdx n ASP 99 Ca 0.03 0.00 -0.32 0.00 -1.38 0.00 0.00 54.79 53.12 1zdx n ASP 99 Cb 0.54 -0.36 -0.05 0.00 -1.04 0.00 0.00 41.12 40.20 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 -1.28 3.14 0.17 -1.67 0.00 -1.25 -4.58 121.76 116.28 1zdx s ALA 100 Ca 0.00 0.19 -0.19 0.00 0.00 0.00 0.00 51.96 51.96 1zdx s ALA 100 Cb 0.00 -3.01 0.04 0.00 0.00 0.00 0.00 23.12 20.15 1zdx s ALA 100 CO 0.00 0.03 0.52 0.95 0.00 0.00 0.00 175.76 177.27 1zdx s THR 101 N -2.31 0.03 -0.20 0.00 -4.23 -1.13 -4.70 115.64 103.09 1zdx s THR 101 Ca 0.58 -0.48 -0.01 0.00 -1.18 0.00 0.00 61.69 60.60 1zdx s THR 101 Cb -0.10 -1.30 0.05 0.00 1.34 0.00 0.00 72.50 72.50 1zdx s THR 101 CO 0.22 -0.13 -0.03 0.00 -0.54 0.00 0.00 174.62 174.14 1zdx s ALA 102 N -3.82 1.52 -0.31 3.99 0.00 -1.26 -2.67 121.76 119.21 1zdx s ALA 102 Ca 0.05 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.06 1zdx s ALA 102 Cb -0.00 -1.25 0.09 0.00 0.00 0.00 0.00 23.12 21.96 1zdx s ALA 102 CO -0.08 -1.04 0.01 -1.58 0.00 0.00 0.00 175.76 173.07 1zdx s HIS 103 N 1.61 3.21 -0.60 0.00 5.04 -0.46 -4.91 115.29 119.19 1zdx s HIS 103 Ca -0.02 -2.54 -0.28 0.00 -1.54 0.00 0.00 55.06 50.68 1zdx s HIS 103 Cb -0.17 -2.39 0.03 0.00 0.04 0.00 0.00 32.58 30.09 1zdx s HIS 103 CO -0.07 -0.90 1.20 -1.17 -2.34 0.00 0.00 174.74 171.46 1zdx s LEU 104 N 1.10 3.43 -1.42 8.88 1.98 -1.26 -0.34 118.68 131.04 1zdx s LEU 104 Ca 0.05 0.03 -0.15 0.00 -2.89 0.00 0.00 54.13 51.17 1zdx s LEU 104 Cb -0.19 -3.09 0.04 0.00 0.66 0.00 0.00 46.19 43.61 1zdx s LEU 104 CO -0.09 -1.52 2.15 -0.67 -1.89 0.00 0.00 176.35 174.32 1zdx n ASP 105 N 8.54 4.00 0.32 3.68 -0.08 -0.33 -4.81 116.55 127.87 1zdx n ASP 105 Ca 0.08 -2.85 0.20 0.00 -1.51 0.00 0.00 54.79 50.71 1zdx n ASP 105 Cb 0.49 -1.66 1.10 0.00 2.34 0.00 0.00 41.12 43.39 1zdx n ASP 105 CO 0.00 0.00 0.00 1.62 0.12 0.00 0.00 177.20 178.94 1zdx h VAL 106 N 4.26 0.17 -0.11 5.18 3.04 -1.92 0.32 116.25 127.18 1zdx h VAL 106 Ca 0.55 0.00 -0.08 0.00 -1.01 0.00 0.00 66.70 66.16 1zdx h VAL 106 Cb 0.68 0.97 -0.01 0.00 -2.01 0.00 0.00 31.29 30.91 1zdx h VAL 106 CO 1.82 0.00 -0.30 1.23 -1.01 0.00 0.00 177.57 179.31 1zdx h GLY 107 N 0.00 0.22 -0.63 3.17 0.00 -1.94 -3.26 103.07 100.63 1zdx h GLY 107 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1zdx h GLY 107 CO -0.00 0.16 -0.08 -0.18 0.00 0.00 0.00 176.54 176.44 1zdx n GLN 108 N -4.13 1.13 -3.97 4.80 -0.06 -0.00 -4.99 117.38 110.16 1zdx n GLN 108 Ca -0.01 -0.86 -0.30 0.00 -2.00 0.00 0.00 57.00 53.82 1zdx n GLN 108 Cb 0.39 -1.13 0.01 0.00 -4.06 0.00 0.00 30.24 25.45 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 0.20 -4.64 -4.81 3.69 6.02 -0.57 -4.94 117.38 112.32 1zdx n GLN 109 Ca 0.05 0.53 -0.33 0.00 -0.01 0.00 0.00 57.00 57.23 1zdx n GLN 109 Cb 0.22 -5.25 -0.13 0.00 1.02 0.00 0.00 30.24 26.10 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 -6.60 2.78 -0.56 -1.09 3.52 -1.21 -0.77 118.95 115.02 1zdx s ARG 110 Ca 0.52 -0.67 -0.27 0.00 -0.13 0.00 0.00 55.73 55.18 1zdx s ARG 110 Cb -0.27 -2.48 0.03 0.00 -1.56 0.00 0.00 34.95 30.67 1zdx s ARG 110 CO 0.86 0.52 1.11 -1.17 -0.81 0.00 0.00 175.30 175.80 1zdx s LEU 111 N -0.45 3.67 -0.97 -0.88 0.20 0.89 -1.19 118.68 119.95 1zdx s LEU 111 Ca 0.06 -0.02 -0.24 0.00 0.69 0.00 0.00 54.13 54.62 1zdx s LEU 111 Cb -0.12 -3.08 -0.02 0.00 -0.43 0.00 0.00 46.19 42.54 1zdx s LEU 111 CO 0.02 -1.38 1.78 0.20 -0.29 0.00 0.00 176.35 176.68 1zdx s ASN 112 N 2.88 5.62 0.11 3.68 0.01 0.54 -1.30 114.94 126.49 1zdx s ASN 112 Ca 0.39 -1.05 0.02 0.00 -0.71 0.00 0.00 52.86 51.52 1zdx s ASN 112 Cb -0.09 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.97 1zdx s ASN 112 CO 0.24 -2.32 0.20 -0.76 -1.51 0.00 0.00 177.10 172.95 1zdx s LEU 113 N 8.33 4.17 -0.04 0.60 1.43 -0.34 -1.35 118.68 131.47 1zdx s LEU 113 Ca 0.62 0.12 -0.11 0.00 -1.03 0.00 0.00 54.13 53.73 1zdx s LEU 113 Cb -0.04 -2.77 0.02 0.00 0.03 0.00 0.00 46.19 43.43 1zdx s LEU 113 CO -0.02 0.11 0.25 -0.89 0.23 0.00 0.00 176.35 176.03 1zdx s THR 114 N -1.62 0.04 -0.13 5.49 2.01 -1.09 -1.53 115.64 118.82 1zdx s THR 114 Ca 0.33 -0.35 -0.09 0.00 0.31 0.00 0.00 61.69 61.88 1zdx s THR 114 Cb -0.12 -0.48 0.04 0.00 0.01 0.00 0.00 72.50 71.95 1zdx s THR 114 CO 0.26 -0.19 0.32 -0.63 -0.69 0.00 0.00 174.62 173.69 1zdx s ILE 115 N -0.80 -0.01 0.52 1.82 1.01 -1.26 -2.85 121.20 119.62 1zdx s ILE 115 Ca -0.09 0.05 -0.21 0.00 0.00 0.00 0.00 60.65 60.40 1zdx s ILE 115 Cb -0.05 -0.47 -0.06 0.00 0.01 0.00 0.00 42.46 41.90 1zdx s ILE 115 CO 0.02 0.02 1.19 -2.16 0.00 0.00 0.00 174.94 174.01 1zdx s PRO 116 N 0.67 3.42 0.51 2.79 0.04 -1.26 -4.89 135.00 136.28 1zdx s PRO 116 Ca -0.04 1.81 0.22 0.00 0.04 0.00 0.00 61.00 63.02 1zdx s PRO 116 Cb -0.05 -2.19 1.30 0.00 0.04 0.00 0.00 34.50 33.60 1zdx s PRO 116 CO -0.04 -0.84 2.01 1.96 0.04 0.00 0.00 177.00 180.13 1zdx h GLN 117 N 1.53 0.08 0.00 4.56 1.08 -1.99 -0.68 115.11 119.70 1zdx h GLN 117 Ca -0.50 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 56.70 1zdx h GLN 117 Cb 1.27 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 1zdx h GLN 117 CO 0.58 0.06 0.13 0.00 -0.95 0.00 0.00 178.83 178.64 1zdx h ALA 118 N 1.76 1.12 -0.66 3.87 0.00 -2.00 -1.52 119.26 121.84 1zdx h ALA 118 Ca 0.22 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.67 1zdx h ALA 118 Cb 0.77 0.00 -0.32 0.00 0.00 0.00 0.00 17.79 18.25 1zdx h ALA 118 CO -0.02 -0.12 -0.42 1.19 0.00 0.00 0.00 179.25 179.88 1zdx n PHE 119 N -2.94 2.31 -4.08 0.00 3.01 -0.26 -4.88 117.46 110.61 1zdx n PHE 119 Ca -0.03 -2.19 -0.16 0.00 1.01 0.00 0.00 57.45 56.09 1zdx n PHE 119 Cb 0.19 -0.53 -0.15 0.00 -0.01 0.00 0.00 39.48 38.98 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 -3.55 0.38 -1.26 -1.08 -1.94 -0.57 -1.56 119.30 109.71 1zdx s MET 120 Ca 0.51 -0.11 -0.19 0.00 -1.71 0.00 0.00 55.69 54.18 1zdx s MET 120 Cb 0.42 -0.40 0.04 0.00 2.01 0.00 0.00 34.83 36.90 1zdx s MET 120 CO 0.01 0.04 1.77 0.45 -0.01 0.00 0.00 175.02 177.29 1zdx s SER 121 N 0.16 6.44 0.00 3.03 0.15 0.24 -4.73 113.70 118.99 1zdx s SER 121 Ca -0.01 -2.23 0.00 0.00 0.70 0.00 0.00 55.95 54.40 1zdx s SER 121 Cb -0.05 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 1zdx s SER 121 CO -0.00 -1.59 0.00 0.59 1.20 0.00 0.00 173.24 173.43 1zdx n ASN 122 N 9.70 0.00 -4.08 5.45 3.02 -1.26 -4.23 115.26 123.86 1zdx n ASN 122 Ca 0.47 0.00 -0.18 0.00 -0.03 0.00 0.00 54.58 54.84 1zdx n ASN 122 Cb 0.46 0.00 -0.14 0.00 -0.61 0.00 0.00 39.78 39.50 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 0.79 0.49 3.52 0.52 -1.26 -5.12 118.95 117.88 1zdx s ARG 123 Ca 0.00 -0.59 -0.22 0.00 -0.52 0.00 0.00 55.73 54.40 1zdx s ARG 123 Cb 0.00 -0.74 -0.07 0.00 0.52 0.00 0.00 34.95 34.66 1zdx s ARG 123 CO 0.00 0.19 1.16 0.00 0.02 0.00 0.00 175.30 176.67 1zdx s ALA 124 N -0.69 2.88 0.00 2.13 0.00 -1.26 -4.95 121.76 119.87 1zdx s ALA 124 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 51.96 52.88 1zdx s ALA 124 Cb -0.06 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1zdx s ALA 124 CO 0.01 -0.72 0.00 0.54 0.00 0.00 0.00 175.76 175.59