#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 0.07 -0.01 1.61 2.00 -1.26 -3.48 119.66 118.59 1zdx s GLN 26 Ca 0.00 0.05 0.01 0.00 -2.00 0.00 0.00 55.36 53.42 1zdx s GLN 26 Cb 0.00 -1.42 0.02 0.00 0.80 0.00 0.00 33.01 32.41 1zdx s GLN 26 CO 0.00 -0.55 0.75 -0.85 -0.50 0.00 0.00 175.29 174.14 1zdx n GLU 27 N 5.27 0.28 -3.19 1.67 0.28 -0.40 -4.97 120.64 119.58 1zdx n GLU 27 Ca -0.06 -0.86 0.02 0.00 -0.16 0.00 0.00 57.16 56.10 1zdx n GLU 27 Cb 0.49 -0.59 -0.01 0.00 1.43 0.00 0.00 31.44 32.77 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 -0.22 -1.55 0.39 -1.84 1.98 -1.11 -5.05 118.68 111.28 1zdx s LEU 28 Ca 0.02 -0.48 -0.25 0.00 -2.89 0.00 0.00 54.13 50.52 1zdx s LEU 28 Cb 0.01 1.97 -0.09 0.00 0.66 0.00 0.00 46.19 48.75 1zdx s LEU 28 CO 0.00 -0.21 1.13 -2.16 -1.89 0.00 0.00 176.35 173.23 1zdx s PRO 29 N 2.15 4.12 1.01 0.98 0.04 -1.26 -4.61 135.00 137.43 1zdx s PRO 29 Ca 0.14 1.75 -0.12 0.00 0.04 0.00 0.00 61.00 62.81 1zdx s PRO 29 Cb -0.06 -2.68 0.20 0.00 0.04 0.00 0.00 34.50 32.00 1zdx s PRO 29 CO -0.13 -0.23 1.08 -1.25 0.04 0.00 0.00 177.00 176.51 1zdx s PRO 30 N -2.29 0.29 0.00 0.56 0.04 -1.26 -4.89 135.00 127.45 1zdx s PRO 30 Ca 0.56 1.07 0.00 0.00 0.04 0.00 0.00 61.00 62.67 1zdx s PRO 30 Cb -0.28 -1.68 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1zdx s PRO 30 CO 0.36 -2.97 0.00 0.41 0.04 0.00 0.00 177.00 174.83 1zdx n GLY 31 N 0.09 0.30 3.16 0.56 0.00 -0.19 -5.00 105.19 104.11 1zdx n GLY 31 Ca 0.07 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.77 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 0.41 0.37 2.61 -1.32 -1.26 -0.17 115.64 112.28 1zdx s THR 32 Ca 0.00 -1.91 0.05 0.00 -1.21 0.00 0.00 61.69 58.62 1zdx s THR 32 Cb 0.00 -1.87 -0.02 0.00 -1.51 0.00 0.00 72.50 69.10 1zdx s THR 32 CO 0.00 -0.68 0.20 0.00 -2.21 0.00 0.00 174.62 171.93 1zdx n TYR 33 N -0.08 -0.22 -3.62 9.09 0.18 -1.26 -5.01 117.16 116.25 1zdx n TYR 33 Ca -0.09 -2.66 -0.21 0.00 1.88 0.00 0.00 57.90 56.82 1zdx n TYR 33 Cb 0.62 0.11 -0.16 0.00 -0.38 0.00 0.00 39.34 39.53 1zdx n TYR 33 CO 0.00 0.00 0.00 0.50 -2.08 0.00 0.00 176.86 175.28 1zdx s ARG 34 N -3.46 0.05 0.35 -3.48 6.06 -1.26 -3.41 118.95 113.79 1zdx s ARG 34 Ca 0.28 0.26 -0.06 0.00 -2.50 0.00 0.00 55.73 53.71 1zdx s ARG 34 Cb 0.01 -0.98 0.02 0.00 0.06 0.00 0.00 34.95 34.07 1zdx s ARG 34 CO 0.20 -0.49 0.55 1.33 -2.50 0.00 0.00 175.30 174.39 1zdx n VAL 35 N 5.31 0.00 -3.73 7.11 0.24 -1.08 -4.85 118.33 121.32 1zdx n VAL 35 Ca -0.05 -1.46 -0.37 0.00 -2.04 0.00 0.00 64.34 60.42 1zdx n VAL 35 Cb 0.50 1.01 -0.12 0.00 -1.47 0.00 0.00 33.84 33.76 1zdx n VAL 35 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1zdx s ASP 36 N -3.03 5.45 0.01 -1.34 1.01 -0.85 -2.02 116.67 115.90 1zdx s ASP 36 Ca 0.24 -0.12 -0.30 0.00 0.71 0.00 0.00 52.55 53.08 1zdx s ASP 36 Cb -0.02 -1.99 -0.07 0.00 1.01 0.00 0.00 42.92 41.85 1zdx s ASP 36 CO 0.17 -0.02 1.66 -0.63 0.21 0.00 0.00 175.17 176.57 1zdx s ILE 37 N 1.52 3.31 -0.33 0.77 1.09 0.72 -0.45 121.20 127.83 1zdx s ILE 37 Ca 0.06 0.58 -0.01 0.00 -1.10 0.00 0.00 60.65 60.18 1zdx s ILE 37 Cb -0.15 -3.37 0.11 0.00 -1.06 0.00 0.00 42.46 37.99 1zdx s ILE 37 CO 0.05 -0.03 0.14 -0.47 -0.10 0.00 0.00 174.94 174.54 1zdx s TYR 38 N 3.37 1.29 -0.04 3.97 5.04 0.03 -0.36 117.35 130.65 1zdx s TYR 38 Ca 0.74 -1.63 -0.22 0.00 -2.44 0.00 0.00 57.07 53.52 1zdx s TYR 38 Cb -0.37 -1.44 -0.04 0.00 0.35 0.00 0.00 41.96 40.46 1zdx s TYR 38 CO 0.32 -0.85 0.66 -1.17 -1.34 0.00 0.00 175.55 173.17 1zdx s LEU 39 N 1.46 4.35 -1.59 6.97 2.96 0.48 -0.66 118.68 132.66 1zdx s LEU 39 Ca 0.12 1.17 -0.12 0.00 -0.22 0.00 0.00 54.13 55.08 1zdx s LEU 39 Cb -0.19 -3.02 0.10 0.00 0.50 0.00 0.00 46.19 43.58 1zdx s LEU 39 CO -0.20 -0.03 0.70 0.59 -1.32 0.00 0.00 176.35 176.08 1zdx n ASN 40 N 3.39 -2.58 -2.14 3.68 3.02 -0.45 -0.71 115.26 119.46 1zdx n ASN 40 Ca -0.03 -0.98 -0.15 0.00 -0.03 0.00 0.00 54.58 53.39 1zdx n ASN 40 Cb 0.51 -3.01 0.03 0.00 -0.61 0.00 0.00 39.78 36.69 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 -2.79 -4.66 -3.71 6.41 3.02 -1.26 -5.04 115.26 107.23 1zdx n ASN 41 Ca -0.05 -0.21 -0.12 0.00 -0.03 0.00 0.00 54.58 54.17 1zdx n ASN 41 Cb 0.56 -3.51 -0.12 0.00 -0.61 0.00 0.00 39.78 36.10 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 -2.84 -0.19 0.23 7.41 0.00 0.11 -5.12 107.32 106.92 1zdx s GLY 42 Ca 0.22 1.14 -0.31 0.00 0.00 0.00 0.00 44.72 45.77 1zdx s GLY 42 CO 0.27 1.53 1.14 2.98 0.00 0.00 0.00 173.10 179.02 1zdx n TYR 43 N 4.48 1.43 0.00 1.90 9.36 -1.26 -0.38 117.16 132.68 1zdx n TYR 43 Ca -0.21 0.65 0.00 0.00 3.32 0.00 0.00 57.90 61.66 1zdx n TYR 43 Cb 0.53 -2.30 0.00 0.00 -0.63 0.00 0.00 39.34 36.94 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 1.37 1.53 -3.74 2.98 2.81 0.52 -4.83 117.12 117.77 1zdx n MET 44 Ca 0.12 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.92 1zdx n MET 44 Cb 0.29 -0.73 -0.03 0.00 -0.71 0.00 0.00 33.22 32.04 1zdx n MET 44 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1zdx s ALA 45 N -1.47 -1.16 -0.07 3.04 0.00 -1.14 -4.91 121.76 116.06 1zdx s ALA 45 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 51.82 1zdx s ALA 45 Cb 0.00 0.87 0.02 0.00 0.00 0.00 0.00 23.12 24.02 1zdx s ALA 45 CO 0.00 -0.90 -0.04 0.99 0.00 0.00 0.00 175.76 175.81 1zdx s THR 46 N -3.88 0.61 0.00 0.00 2.01 -1.26 -0.20 115.64 112.92 1zdx s THR 46 Ca 0.09 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1zdx s THR 46 Cb -0.03 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.81 1zdx s THR 46 CO -0.00 0.27 0.00 -2.11 -0.69 0.00 0.00 174.62 172.09 1zdx n ARG 47 N 4.54 -1.46 -2.91 4.92 1.85 -0.86 -5.00 116.66 117.75 1zdx n ARG 47 Ca -0.17 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.32 1zdx n ARG 47 Cb 0.50 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.85 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 7.17 -0.43 2.89 1.01 -1.26 -2.63 116.67 123.42 1zdx s ASP 48 Ca 0.00 1.65 0.06 0.00 0.71 0.00 0.00 52.55 54.97 1zdx s ASP 48 Cb 0.00 -2.51 0.22 0.00 1.01 0.00 0.00 42.92 41.64 1zdx s ASP 48 CO 0.00 -0.07 0.47 0.52 0.21 0.00 0.00 175.17 176.30 1zdx n VAL 49 N 0.43 -0.53 -1.55 -1.27 0.31 -1.22 -5.00 118.33 109.50 1zdx n VAL 49 Ca 0.01 -3.94 -0.52 0.00 -0.01 0.00 0.00 64.34 59.88 1zdx n VAL 49 Cb 0.51 -1.88 -0.05 0.00 -0.91 0.00 0.00 33.84 31.51 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 1.88 0.63 -4.19 2.52 -1.04 -1.26 -4.36 114.28 108.46 1zdx n THR 50 Ca 0.25 -0.16 -0.18 0.00 -2.04 0.00 0.00 64.05 61.92 1zdx n THR 50 Cb 0.50 -0.57 -0.12 0.00 -1.82 0.00 0.00 70.33 68.31 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 -0.09 1.25 0.18 -1.42 -0.12 0.76 -0.53 117.98 118.01 1zdx s PHE 51 Ca 0.78 -0.49 0.01 0.00 -0.05 0.00 0.00 56.93 57.18 1zdx s PHE 51 Cb -0.97 -0.69 -0.04 0.00 -0.63 0.00 0.00 43.02 40.68 1zdx s PHE 51 CO 0.52 0.07 0.04 0.54 -0.05 0.00 0.00 175.22 176.35 1zdx s ASN 52 N -1.94 0.89 0.25 1.98 2.20 -0.41 -1.02 114.94 116.88 1zdx s ASN 52 Ca 0.01 -1.23 -0.31 0.00 -0.94 0.00 0.00 52.86 50.39 1zdx s ASN 52 Cb -0.08 0.19 -0.13 0.00 -2.00 0.00 0.00 41.25 39.23 1zdx s ASN 52 CO 0.02 -0.66 1.50 0.41 -2.94 0.00 0.00 177.10 175.44 1zdx n THR 53 N -0.24 0.81 -3.61 0.54 -1.04 -1.26 -0.67 114.28 108.81 1zdx n THR 53 Ca -0.05 -0.20 -0.01 0.00 -2.04 0.00 0.00 64.05 61.75 1zdx n THR 53 Cb 0.64 -1.66 0.01 0.00 -1.82 0.00 0.00 70.33 67.49 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 2.41 1.02 3.41 3.41 0.00 -0.99 -4.67 105.19 109.79 1zdx n GLY 54 Ca 0.12 -0.99 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.81 6.09 0.35 1.61 -1.08 -1.26 -3.57 116.67 117.01 1zdx s ASP 55 Ca 0.08 -1.13 0.00 0.00 -0.52 0.00 0.00 52.55 50.97 1zdx s ASP 55 Cb -0.01 -2.16 -0.00 0.00 -1.46 0.00 0.00 42.92 39.29 1zdx s ASP 55 CO 0.02 -0.55 0.45 -0.44 0.52 0.00 0.00 175.17 175.17 1zdx s SER 56 N 2.14 1.16 0.32 -0.34 0.01 -1.25 -4.83 113.70 110.91 1zdx s SER 56 Ca 0.04 -1.58 0.03 0.00 1.31 0.00 0.00 55.95 55.76 1zdx s SER 56 Cb -0.22 0.66 0.63 0.00 0.21 0.00 0.00 66.02 67.30 1zdx s SER 56 CO 0.08 -1.28 1.91 -0.33 0.41 0.00 0.00 173.24 174.03 1zdx h GLU 57 N 2.09 0.88 0.00 12.44 5.08 -1.88 0.26 114.58 133.44 1zdx h GLU 57 Ca -0.27 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1zdx h GLU 57 Cb 1.24 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1zdx h GLU 57 CO 0.38 0.58 0.00 1.96 -1.00 0.00 0.00 179.01 180.93 1zdx h GLN 58 N 0.91 0.00 0.00 2.33 4.20 -1.94 -3.42 115.11 117.19 1zdx h GLN 58 Ca 0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.09 1zdx h GLN 58 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1zdx h GLN 58 CO -0.15 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.42 1zdx n GLY 59 N 0.65 0.86 3.17 3.46 0.00 0.08 -1.28 105.19 112.12 1zdx n GLY 59 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.06 0.14 0.00 -0.61 -4.36 -1.23 -2.34 121.20 110.74 1zdx s ILE 60 Ca 0.00 -1.69 0.01 0.00 -0.26 0.00 0.00 60.65 58.71 1zdx s ILE 60 Cb 0.00 -1.74 -0.00 0.00 1.25 0.00 0.00 42.46 41.97 1zdx s ILE 60 CO 0.00 -0.64 -0.03 0.68 0.24 0.00 0.00 174.94 175.19 1zdx s VAL 61 N -3.97 0.23 0.50 8.37 -7.23 0.16 -3.95 120.40 114.51 1zdx s VAL 61 Ca 0.15 -0.24 -0.19 0.00 -1.81 0.00 0.00 61.98 59.88 1zdx s VAL 61 Cb 0.07 -0.22 -0.08 0.00 0.56 0.00 0.00 36.38 36.70 1zdx s VAL 61 CO -0.04 -0.01 1.01 -2.16 -0.31 0.00 0.00 175.10 173.59 1zdx s PRO 62 N -0.27 3.83 -0.57 4.82 0.04 -1.26 -1.29 135.00 140.29 1zdx s PRO 62 Ca -0.01 1.21 -0.28 0.00 0.04 0.00 0.00 61.00 61.97 1zdx s PRO 62 Cb -0.02 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.44 1zdx s PRO 62 CO -0.00 -0.38 1.15 0.00 0.04 0.00 0.00 177.00 177.80 1zdx s LEU 64 N 4.77 1.50 0.63 0.00 1.43 -1.26 -4.72 118.68 121.03 1zdx s LEU 64 Ca 0.41 -0.39 0.06 0.00 -1.03 0.00 0.00 54.13 53.18 1zdx s LEU 64 Cb -0.08 -1.01 0.10 0.00 0.03 0.00 0.00 46.19 45.23 1zdx s LEU 64 CO 0.24 -0.06 0.86 0.42 0.23 0.00 0.00 176.35 178.05 1zdx s THR 65 N 1.42 2.14 0.18 5.49 -4.23 -1.26 -0.87 115.64 118.51 1zdx s THR 65 Ca 0.01 -0.86 -0.13 0.00 -1.18 0.00 0.00 61.69 59.53 1zdx s THR 65 Cb -0.13 -2.27 0.08 0.00 1.34 0.00 0.00 72.50 71.52 1zdx s THR 65 CO -0.07 0.00 1.77 -0.09 -0.54 0.00 0.00 174.62 175.69 1zdx h ARG 66 N -0.07 0.43 0.51 3.99 9.65 -1.76 -2.00 114.38 125.14 1zdx h ARG 66 Ca -0.32 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.51 1zdx h ARG 66 Cb 1.28 -0.10 -0.00 0.00 -1.39 0.00 0.00 29.97 29.76 1zdx h ARG 66 CO 0.40 0.29 -0.28 0.00 2.80 0.00 0.00 179.97 183.18 1zdx h ALA 67 N 1.29 -0.75 -0.95 2.80 0.00 -1.81 -2.14 119.26 117.71 1zdx h ALA 67 Ca 0.23 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.11 1zdx h ALA 67 Cb 0.18 0.33 -0.08 0.00 0.00 0.00 0.00 17.79 18.22 1zdx h ALA 67 CO -0.19 -0.93 0.61 1.96 0.00 0.00 0.00 179.25 180.70 1zdx h GLN 68 N -0.74 0.84 0.16 0.00 1.08 -1.78 0.21 115.11 114.88 1zdx h GLN 68 Ca -0.06 -0.05 -0.30 0.00 -1.45 0.00 0.00 58.65 56.78 1zdx h GLN 68 Cb 0.59 -0.19 0.03 0.00 -0.05 0.00 0.00 27.48 27.86 1zdx h GLN 68 CO 0.09 0.56 -1.28 -0.07 -0.95 0.00 0.00 178.83 177.17 1zdx h LEU 69 N 0.87 0.84 -1.76 1.46 3.38 -1.37 -2.91 115.31 115.83 1zdx h LEU 69 Ca 0.47 -0.86 0.05 0.00 0.09 0.00 0.00 57.88 57.63 1zdx h LEU 69 Cb 0.58 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1zdx h LEU 69 CO -0.24 1.63 0.25 0.00 0.09 0.00 0.00 178.44 180.17 1zdx h ALA 70 N 0.23 1.97 0.00 1.53 0.00 -0.50 -2.09 119.26 120.40 1zdx h ALA 70 Ca -0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1zdx h ALA 70 Cb 1.97 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.68 1zdx h ALA 70 CO 0.24 -0.04 -0.15 0.77 0.00 0.00 0.00 179.25 180.08 1zdx h SER 71 N 0.30 0.00 -0.61 0.00 0.02 -0.45 -0.92 113.55 111.89 1zdx h SER 71 Ca 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 1zdx h SER 71 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 1zdx h SER 71 CO -0.03 0.15 0.00 1.15 -1.14 0.00 0.00 176.83 176.96 1zdx n MET 72 N -3.32 2.79 -0.10 3.45 0.00 -0.83 -4.77 117.12 114.34 1zdx n MET 72 Ca 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 57.70 55.34 1zdx n MET 72 Cb 0.38 -1.61 0.00 0.00 0.00 0.00 0.00 33.22 31.99 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 1.35 0.61 3.77 3.17 0.00 -0.35 -4.68 105.19 109.05 1zdx n GLY 73 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 4.35 -0.77 0.99 1.98 -0.92 -0.88 118.68 123.42 1zdx s LEU 74 Ca 0.00 2.92 -0.17 0.00 -2.89 0.00 0.00 54.13 54.00 1zdx s LEU 74 Cb 0.00 -3.65 0.16 0.00 0.66 0.00 0.00 46.19 43.36 1zdx s LEU 74 CO 0.00 -0.81 0.82 0.21 -1.89 0.00 0.00 176.35 174.69 1zdx s ASN 75 N 0.01 6.54 0.38 3.68 3.84 -0.37 -4.36 114.94 124.65 1zdx s ASN 75 Ca 0.55 -2.15 0.11 0.00 0.21 0.00 0.00 52.86 51.58 1zdx s ASN 75 Cb -0.45 -2.28 0.88 0.00 -0.55 0.00 0.00 41.25 38.84 1zdx s ASN 75 CO 0.56 -0.85 1.89 0.71 -2.79 0.00 0.00 177.10 176.61 1zdx h THR 76 N 5.41 0.84 0.00 -5.21 1.35 -1.92 -1.13 112.91 112.25 1zdx h THR 76 Ca -0.01 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1zdx h THR 76 Cb 1.05 0.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1zdx h THR 76 CO 0.95 0.11 0.00 0.00 -0.25 0.00 0.00 175.52 176.33 1zdx h ALA 77 N 1.61 1.00 0.00 6.62 0.00 -1.96 -2.56 119.26 123.97 1zdx h ALA 77 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 1zdx h ALA 77 Cb 0.71 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1zdx h ALA 77 CO -0.17 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.51 1zdx n SER 78 N -2.70 0.00 -4.65 0.00 7.64 -0.43 -4.83 113.62 108.65 1zdx n SER 78 Ca 0.02 0.30 -0.23 0.00 1.01 0.00 0.00 58.87 59.97 1zdx n SER 78 Cb 0.33 -0.42 -0.07 0.00 -1.01 0.00 0.00 64.21 63.03 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 -2.85 3.50 0.29 0.44 1.01 -0.96 -5.00 120.40 116.83 1zdx s VAL 79 Ca 0.16 -1.84 -0.19 0.00 0.00 0.00 0.00 61.98 60.10 1zdx s VAL 79 Cb 0.16 -2.86 -0.09 0.00 0.00 0.00 0.00 36.38 33.59 1zdx s VAL 79 CO 0.41 -0.34 0.78 0.00 0.00 0.00 0.00 175.10 175.95 1zdx s ALA 80 N -2.24 3.32 -1.46 5.51 0.00 -1.26 -4.39 121.76 121.24 1zdx s ALA 80 Ca 0.31 0.20 -0.09 0.00 0.00 0.00 0.00 51.96 52.38 1zdx s ALA 80 Cb -0.07 -2.89 0.04 0.00 0.00 0.00 0.00 23.12 20.20 1zdx s ALA 80 CO 0.20 0.29 0.81 0.41 0.00 0.00 0.00 175.76 177.46 1zdx n GLY 81 N 0.23 -0.52 0.27 0.00 0.00 -1.26 -4.86 105.19 99.05 1zdx n GLY 81 Ca 0.01 0.17 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 -4.35 0.06 0.00 1.61 0.00 -1.26 -4.68 117.12 108.49 1zdx n MET 82 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 57.70 57.69 1zdx n MET 82 Cb 0.57 -0.92 0.00 0.00 0.00 0.00 0.00 33.22 32.87 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 -2.73 0.54 0.00 6.12 6.94 -1.26 -1.39 115.26 123.48 1zdx n ASN 83 Ca -0.05 -0.83 0.00 0.00 -0.02 0.00 0.00 54.58 53.68 1zdx n ASN 83 Cb 0.55 -0.21 0.00 0.00 -2.36 0.00 0.00 39.78 37.76 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 0.37 0.01 -4.80 -4.53 -0.00 -1.26 -5.08 117.00 101.71 1zdx n LEU 84 Ca 0.00 -0.01 -0.34 0.00 -0.00 0.00 0.00 56.01 55.65 1zdx n LEU 84 Cb 0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.48 1zdx n LEU 84 CO 0.00 0.00 0.67 -0.76 -0.00 0.00 0.00 177.39 177.30 1zdx s LEU 85 N -0.00 4.04 0.96 1.47 1.43 -0.49 -5.02 118.68 121.07 1zdx s LEU 85 Ca 0.00 1.79 -0.11 0.00 -1.03 0.00 0.00 54.13 54.78 1zdx s LEU 85 Cb 0.00 -4.39 0.17 0.00 0.03 0.00 0.00 46.19 42.00 1zdx s LEU 85 CO 0.00 -0.36 1.09 0.00 0.23 0.00 0.00 176.35 177.31 1zdx s ALA 86 N -1.97 1.03 -1.33 4.21 0.00 -1.26 -4.72 121.76 117.71 1zdx s ALA 86 Ca 0.60 0.18 0.16 0.00 0.00 0.00 0.00 51.96 52.89 1zdx s ALA 86 Cb -0.14 -3.30 0.78 0.00 0.00 0.00 0.00 23.12 20.46 1zdx s ALA 86 CO 0.18 -2.85 1.47 -3.47 0.00 0.00 0.00 175.76 171.09 1zdx n ASP 87 N -4.26 0.00 -3.11 0.00 2.03 -1.26 -2.66 116.55 107.30 1zdx n ASP 87 Ca 0.08 0.15 -0.16 0.00 0.52 0.00 0.00 54.79 55.38 1zdx n ASP 87 Cb 0.54 -0.33 -0.05 0.00 -0.72 0.00 0.00 41.12 40.55 1zdx n ASP 87 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1zdx s ASP 88 N -2.67 0.10 -0.43 1.67 3.68 -1.26 -4.48 116.67 113.28 1zdx s ASP 88 Ca 0.14 -2.38 0.09 0.00 2.13 0.00 0.00 52.55 52.52 1zdx s ASP 88 Cb 0.11 0.68 0.41 0.00 -1.45 0.00 0.00 42.92 42.67 1zdx s ASP 88 CO 0.26 -0.12 1.02 0.00 0.13 0.00 0.00 175.17 176.45 1zdx n ALA 89 N 2.98 4.40 -3.94 3.66 0.00 -1.09 -5.05 120.51 121.47 1zdx n ALA 89 Ca 0.23 -4.03 -0.31 0.00 0.00 0.00 0.00 53.44 49.33 1zdx n ALA 89 Cb 0.51 -0.69 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 1zdx n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1zdx s VAL 91 N -3.96 2.23 -1.21 0.00 1.01 -0.05 -4.82 120.40 113.61 1zdx s VAL 91 Ca 0.25 0.22 -0.21 0.00 0.00 0.00 0.00 61.98 62.24 1zdx s VAL 91 Cb -0.14 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 1zdx s VAL 91 CO 0.71 0.05 1.88 -0.81 0.00 0.00 0.00 175.10 176.93 1zdx n PRO 92 N 1.18 2.07 0.24 2.72 -0.04 -1.26 -4.72 135.00 135.20 1zdx n PRO 92 Ca 0.03 -2.67 -0.16 0.00 -0.04 0.00 0.00 63.50 60.66 1zdx n PRO 92 Cb 0.39 -3.62 -0.08 0.00 -0.04 0.00 0.00 33.50 30.15 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 15.95 -1.14 -0.57 1.53 5.85 -1.90 -2.64 115.31 132.39 1zdx h LEU 93 Ca 0.30 0.10 -0.16 0.00 0.84 0.00 0.00 57.88 58.97 1zdx h LEU 93 Cb 0.90 0.39 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 1zdx h LEU 93 CO 1.34 -0.56 -0.70 0.71 -0.34 0.00 0.00 178.44 178.90 1zdx h THR 94 N -0.83 1.46 0.00 1.05 1.35 -1.85 0.20 112.91 114.30 1zdx h THR 94 Ca -0.03 -2.28 0.00 0.00 -0.55 0.00 0.00 66.41 63.54 1zdx h THR 94 Cb 0.74 2.22 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1zdx h THR 94 CO -0.08 0.66 0.00 0.41 -0.25 0.00 0.00 175.52 176.26 1zdx n THR 95 N -3.76 0.65 0.03 6.82 -1.04 -1.14 -3.06 114.28 112.78 1zdx n THR 95 Ca -0.02 -0.21 0.02 0.00 -2.04 0.00 0.00 64.05 61.80 1zdx n THR 95 Cb 0.68 -0.68 -0.03 0.00 -1.82 0.00 0.00 70.33 68.47 1zdx n THR 95 CO 0.00 0.00 0.00 0.23 -0.64 0.00 0.00 175.07 174.66 1zdx n MET 96 N -2.28 1.06 -3.80 -2.82 2.00 -1.01 -4.88 117.12 105.39 1zdx n MET 96 Ca 0.05 -0.03 -0.30 0.00 0.00 0.00 0.00 57.70 57.42 1zdx n MET 96 Cb 0.40 -1.04 -0.14 0.00 0.00 0.00 0.00 33.22 32.44 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 -2.16 1.65 0.84 2.03 1.01 0.69 -4.78 120.40 119.68 1zdx s VAL 97 Ca -0.01 -2.46 -0.12 0.00 0.00 0.00 0.00 61.98 59.39 1zdx s VAL 97 Cb 0.03 -2.18 0.10 0.00 0.00 0.00 0.00 36.38 34.33 1zdx s VAL 97 CO 0.19 -0.80 1.17 -1.58 0.00 0.00 0.00 175.10 174.08 1zdx s GLN 98 N 0.53 1.51 0.00 2.72 0.74 -1.23 -3.04 119.66 120.90 1zdx s GLN 98 Ca 0.15 1.63 0.00 0.00 0.05 0.00 0.00 55.36 57.20 1zdx s GLN 98 Cb -0.23 -1.77 0.00 0.00 1.10 0.00 0.00 33.01 32.11 1zdx s GLN 98 CO -0.05 -2.29 0.00 -3.47 -0.55 0.00 0.00 175.29 168.93 1zdx n ASP 99 N -3.60 0.00 -4.81 6.67 -0.08 -1.26 -4.65 116.55 108.82 1zdx n ASP 99 Ca 0.13 0.00 -0.32 0.00 -1.51 0.00 0.00 54.79 53.08 1zdx n ASP 99 Cb 0.51 -0.08 0.01 0.00 2.34 0.00 0.00 41.12 43.90 1zdx n ASP 99 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1zdx s ALA 100 N -0.91 2.78 0.33 -1.67 0.00 -1.17 -4.58 121.76 116.54 1zdx s ALA 100 Ca 0.00 0.34 -0.07 0.00 0.00 0.00 0.00 51.96 52.24 1zdx s ALA 100 Cb 0.00 -3.21 0.01 0.00 0.00 0.00 0.00 23.12 19.92 1zdx s ALA 100 CO 0.00 -0.76 0.51 0.95 0.00 0.00 0.00 175.76 176.46 1zdx s THR 101 N -2.52 0.00 -0.10 0.00 -4.23 -1.17 -4.71 115.64 102.91 1zdx s THR 101 Ca 0.63 -1.48 0.02 0.00 -1.18 0.00 0.00 61.69 59.67 1zdx s THR 101 Cb -0.15 -2.58 0.01 0.00 1.34 0.00 0.00 72.50 71.12 1zdx s THR 101 CO 0.37 0.00 -0.16 0.00 -0.54 0.00 0.00 174.62 174.30 1zdx s ALA 102 N -3.18 1.68 -0.23 3.99 0.00 -1.26 -3.14 121.76 119.62 1zdx s ALA 102 Ca 0.27 -0.71 0.01 0.00 0.00 0.00 0.00 51.96 51.53 1zdx s ALA 102 Cb -0.01 -0.79 0.06 0.00 0.00 0.00 0.00 23.12 22.38 1zdx s ALA 102 CO 0.16 -0.01 -0.07 -1.58 0.00 0.00 0.00 175.76 174.27 1zdx s HIS 103 N 0.86 2.48 -0.44 0.00 5.04 -0.59 -4.83 115.29 117.81 1zdx s HIS 103 Ca -0.09 -1.76 -0.29 0.00 -1.54 0.00 0.00 55.06 51.37 1zdx s HIS 103 Cb -0.15 -1.62 0.02 0.00 0.04 0.00 0.00 32.58 30.86 1zdx s HIS 103 CO 0.00 -0.78 1.21 -1.17 -2.34 0.00 0.00 174.74 171.67 1zdx s LEU 104 N 1.37 3.66 -0.95 8.88 2.96 -1.26 -0.34 118.68 133.00 1zdx s LEU 104 Ca -0.05 0.65 -0.20 0.00 -0.22 0.00 0.00 54.13 54.30 1zdx s LEU 104 Cb -0.18 -3.55 0.10 0.00 0.50 0.00 0.00 46.19 43.06 1zdx s LEU 104 CO -0.07 -1.25 1.23 -0.62 -1.32 0.00 0.00 176.35 174.32 1zdx s ASP 105 N 2.76 6.57 0.48 3.68 -1.08 0.57 -4.86 116.67 124.78 1zdx s ASP 105 Ca 0.51 -1.79 0.23 0.00 -0.52 0.00 0.00 52.55 50.98 1zdx s ASP 105 Cb -0.10 -2.46 1.23 0.00 -1.46 0.00 0.00 42.92 40.14 1zdx s ASP 105 CO 0.30 -1.24 2.01 1.62 0.52 0.00 0.00 175.17 178.38 1zdx h VAL 106 N 6.17 0.77 -0.12 1.11 3.04 -1.93 0.38 116.25 125.67 1zdx h VAL 106 Ca 0.15 -0.69 -0.02 0.00 -1.01 0.00 0.00 66.70 65.13 1zdx h VAL 106 Cb 1.02 1.42 -0.00 0.00 -2.01 0.00 0.00 31.29 31.72 1zdx h VAL 106 CO 1.22 0.17 -0.01 1.23 -1.01 0.00 0.00 177.57 179.18 1zdx h GLY 107 N 0.91 0.23 0.96 3.17 0.00 -1.94 -2.64 103.07 103.76 1zdx h GLY 107 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 1zdx h GLY 107 CO 0.02 0.16 -0.24 -0.18 0.00 0.00 0.00 176.54 176.30 1zdx n GLN 108 N -4.78 0.40 -3.89 4.80 -0.06 -1.22 -4.94 117.38 107.69 1zdx n GLN 108 Ca -0.06 -0.18 -0.27 0.00 -2.00 0.00 0.00 57.00 54.49 1zdx n GLN 108 Cb 0.21 -1.50 -0.00 0.00 -4.06 0.00 0.00 30.24 24.89 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 -1.14 -2.95 -4.04 3.69 6.02 -0.25 -4.96 117.38 113.75 1zdx n GLN 109 Ca 0.10 0.42 -0.30 0.00 -0.01 0.00 0.00 57.00 57.21 1zdx n GLN 109 Cb 0.32 -4.45 -0.16 0.00 1.02 0.00 0.00 30.24 26.97 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 -6.43 2.36 -0.87 -1.09 3.52 -0.04 -2.01 118.95 114.39 1zdx s ARG 110 Ca 0.10 -0.58 -0.25 0.00 -0.13 0.00 0.00 55.73 54.87 1zdx s ARG 110 Cb -0.04 -2.15 0.03 0.00 -1.56 0.00 0.00 34.95 31.24 1zdx s ARG 110 CO 0.88 -0.23 1.41 -1.17 -0.81 0.00 0.00 175.30 175.38 1zdx s LEU 111 N 1.46 3.32 -0.83 -0.88 2.96 0.41 -0.31 118.68 124.81 1zdx s LEU 111 Ca 0.05 -0.90 -0.25 0.00 -0.22 0.00 0.00 54.13 52.81 1zdx s LEU 111 Cb -0.13 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.96 1zdx s LEU 111 CO -0.11 -1.74 1.89 0.20 -1.32 0.00 0.00 176.35 175.27 1zdx s ASN 112 N 4.65 5.26 0.02 3.68 0.01 0.54 -0.79 114.94 128.30 1zdx s ASN 112 Ca 0.43 -0.43 -0.02 0.00 -0.71 0.00 0.00 52.86 52.12 1zdx s ASN 112 Cb -0.04 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 1zdx s ASN 112 CO 0.03 -2.57 0.20 -0.22 -1.51 0.00 0.00 177.10 173.02 1zdx s LEU 113 N 9.50 4.37 0.03 0.60 1.98 0.17 -1.55 118.68 133.77 1zdx s LEU 113 Ca 0.68 0.33 0.03 0.00 -2.89 0.00 0.00 54.13 52.28 1zdx s LEU 113 Cb -0.08 -2.74 -0.02 0.00 0.66 0.00 0.00 46.19 44.01 1zdx s LEU 113 CO 0.05 0.23 -0.10 -0.89 -1.89 0.00 0.00 176.35 173.74 1zdx s THR 114 N -1.39 0.81 -0.06 3.68 2.01 -1.19 -1.34 115.64 118.16 1zdx s THR 114 Ca 0.30 -0.83 -0.05 0.00 0.31 0.00 0.00 61.69 61.42 1zdx s THR 114 Cb -0.13 -0.75 0.02 0.00 0.01 0.00 0.00 72.50 71.65 1zdx s THR 114 CO 0.22 -0.06 0.16 -0.63 -0.69 0.00 0.00 174.62 173.62 1zdx s ILE 115 N -0.81 -0.01 0.43 1.82 1.01 -1.26 -3.03 121.20 119.35 1zdx s ILE 115 Ca -0.01 0.03 -0.25 0.00 0.00 0.00 0.00 60.65 60.42 1zdx s ILE 115 Cb -0.07 -0.23 -0.08 0.00 0.01 0.00 0.00 42.46 42.09 1zdx s ILE 115 CO 0.01 0.01 1.22 -2.16 0.00 0.00 0.00 174.94 174.02 1zdx s PRO 116 N 0.26 3.89 0.55 2.79 0.04 -1.26 -4.91 135.00 136.36 1zdx s PRO 116 Ca -0.02 1.94 0.25 0.00 0.04 0.00 0.00 61.00 63.22 1zdx s PRO 116 Cb -0.03 -2.61 1.46 0.00 0.04 0.00 0.00 34.50 33.36 1zdx s PRO 116 CO -0.01 -0.49 2.05 1.96 0.04 0.00 0.00 177.00 180.55 1zdx h GLN 117 N 2.43 0.00 0.00 4.56 1.08 -1.99 -0.44 115.11 120.75 1zdx h GLN 117 Ca -0.49 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.71 1zdx h GLN 117 Cb 1.25 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.68 1zdx h GLN 117 CO 0.62 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 178.50 1zdx n ALA 118 N -2.51 1.26 -1.86 3.87 0.00 -1.26 -2.14 120.51 117.86 1zdx n ALA 118 Ca 0.05 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.32 1zdx n ALA 118 Cb 0.43 -1.12 0.07 0.00 0.00 0.00 0.00 19.45 18.83 1zdx n ALA 118 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1zdx n PHE 119 N -1.60 2.11 -4.24 0.00 3.01 -0.17 -4.97 117.46 111.59 1zdx n PHE 119 Ca 0.01 -2.08 -0.20 0.00 1.01 0.00 0.00 57.45 56.19 1zdx n PHE 119 Cb 0.07 -0.39 -0.12 0.00 -0.01 0.00 0.00 39.48 39.03 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 -3.52 1.01 0.82 -1.08 -1.94 -0.91 -1.24 119.30 112.45 1zdx s MET 120 Ca 0.49 -1.15 -0.14 0.00 -1.71 0.00 0.00 55.69 53.18 1zdx s MET 120 Cb 0.41 -1.05 0.20 0.00 2.01 0.00 0.00 34.83 36.40 1zdx s MET 120 CO 0.01 0.23 0.78 -1.13 -0.01 0.00 0.00 175.02 174.90 1zdx n SER 121 N 0.88 -1.47 -0.13 3.03 3.41 -0.06 -4.67 113.62 114.61 1zdx n SER 121 Ca -0.18 -1.02 -0.04 0.00 -0.26 0.00 0.00 58.87 57.37 1zdx n SER 121 Cb 0.55 -0.70 0.02 0.00 -0.26 0.00 0.00 64.21 63.83 1zdx n SER 121 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1zdx h ASN 122 N -2.04 -0.45 -2.73 4.04 4.21 -1.98 -3.42 115.58 113.22 1zdx h ASN 122 Ca -0.29 0.14 -0.30 0.00 1.21 0.00 0.00 56.30 57.06 1zdx h ASN 122 Cb 0.86 0.29 -0.36 0.00 -1.12 0.00 0.00 38.32 37.99 1zdx h ASN 122 CO 0.19 -0.16 -0.62 -0.13 -1.29 0.00 0.00 177.43 175.42 1zdx s ARG 123 N -6.21 0.14 0.08 0.81 1.81 -1.26 -5.10 118.95 109.22 1zdx s ARG 123 Ca -0.14 0.36 -0.31 0.00 -1.72 0.00 0.00 55.73 53.92 1zdx s ARG 123 Cb 0.15 -0.84 -0.08 0.00 -0.45 0.00 0.00 34.95 33.73 1zdx s ARG 123 CO 0.71 -0.52 1.50 0.00 -0.68 0.00 0.00 175.30 176.31 1zdx s ALA 124 N 2.33 3.64 0.00 2.13 0.00 -1.26 -4.86 121.76 123.74 1zdx s ALA 124 Ca 0.05 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1zdx s ALA 124 Cb -0.14 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1zdx s ALA 124 CO -0.10 -0.86 0.06 0.54 0.00 0.00 0.00 175.76 175.40