#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 0.60 0.00 1.61 2.00 -1.26 -3.84 119.66 118.77 1zdx s GLN 26 Ca 0.00 0.39 0.00 0.00 -2.00 0.00 0.00 55.36 53.75 1zdx s GLN 26 Cb 0.00 0.28 0.00 0.00 0.80 0.00 0.00 33.01 34.09 1zdx s GLN 26 CO 0.00 -0.11 0.33 -0.85 -0.50 0.00 0.00 175.29 174.15 1zdx n GLU 27 N 2.31 0.00 -3.34 1.67 0.28 -0.40 -4.93 120.64 116.22 1zdx n GLU 27 Ca -0.16 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.72 1zdx n GLU 27 Cb 0.57 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.36 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 -0.52 0.62 -1.84 1.43 -0.86 -5.02 118.68 112.50 1zdx s LEU 28 Ca 0.00 -0.69 -0.16 0.00 -1.03 0.00 0.00 54.13 52.25 1zdx s LEU 28 Cb 0.00 0.85 -0.02 0.00 0.03 0.00 0.00 46.19 47.05 1zdx s LEU 28 CO 0.00 -0.35 1.10 -2.16 0.23 0.00 0.00 176.35 175.18 1zdx s PRO 29 N 2.31 3.01 1.10 1.29 0.04 -1.26 -4.48 135.00 137.01 1zdx s PRO 29 Ca 0.11 1.40 -0.14 0.00 0.04 0.00 0.00 61.00 62.41 1zdx s PRO 29 Cb -0.13 -1.98 0.24 0.00 0.04 0.00 0.00 34.50 32.68 1zdx s PRO 29 CO -0.27 -1.09 1.07 -1.25 0.04 0.00 0.00 177.00 175.50 1zdx s PRO 30 N -3.92 -0.43 0.00 0.56 0.04 -1.26 -4.96 135.00 125.03 1zdx s PRO 30 Ca 0.68 0.48 0.00 0.00 0.04 0.00 0.00 61.00 62.20 1zdx s PRO 30 Cb -0.20 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1zdx s PRO 30 CO 0.38 -3.31 0.00 0.41 0.04 0.00 0.00 177.00 174.52 1zdx n GLY 31 N -0.40 0.23 3.15 0.56 0.00 -1.07 -5.04 105.19 102.61 1zdx n GLY 31 Ca 0.06 -1.12 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 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 0.48 0.02 2.61 -1.32 -1.26 -0.54 115.64 111.62 1zdx s THR 32 Ca 0.00 -1.89 0.00 0.00 -1.21 0.00 0.00 61.69 58.59 1zdx s THR 32 Cb 0.00 -1.70 -0.00 0.00 -1.51 0.00 0.00 72.50 69.28 1zdx s THR 32 CO 0.00 -0.84 0.00 0.00 -2.21 0.00 0.00 174.62 171.58 1zdx n TYR 33 N -0.02 0.01 -3.67 9.09 0.18 -1.15 -4.97 117.16 116.64 1zdx n TYR 33 Ca -0.12 -0.10 -0.21 0.00 1.88 0.00 0.00 57.90 59.36 1zdx n TYR 33 Cb 0.61 -0.00 -0.18 0.00 -0.38 0.00 0.00 39.34 39.39 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 -2.06 -0.01 0.34 -3.48 6.06 -1.26 -3.27 118.95 115.26 1zdx s ARG 34 Ca 0.01 0.33 -0.11 0.00 -2.50 0.00 0.00 55.73 53.45 1zdx s ARG 34 Cb 0.00 -0.64 0.02 0.00 0.06 0.00 0.00 34.95 34.39 1zdx s ARG 34 CO 0.00 -0.35 0.61 0.14 -2.50 0.00 0.00 175.30 173.21 1zdx s VAL 35 N 2.15 0.00 -0.31 7.11 -7.23 -1.00 -4.84 120.40 116.28 1zdx s VAL 35 Ca 0.05 -1.29 -0.17 0.00 -1.81 0.00 0.00 61.98 58.75 1zdx s VAL 35 Cb -0.12 -2.59 -0.02 0.00 0.56 0.00 0.00 36.38 34.21 1zdx s VAL 35 CO -0.04 0.00 0.47 -1.81 -0.31 0.00 0.00 175.10 173.42 1zdx s ASP 36 N -3.11 6.32 -0.01 4.85 -0.00 -0.18 -2.15 116.67 122.39 1zdx s ASP 36 Ca 0.22 0.17 -0.31 0.00 -0.00 0.00 0.00 52.55 52.62 1zdx s ASP 36 Cb -0.03 -2.25 -0.10 0.00 -0.00 0.00 0.00 42.92 40.54 1zdx s ASP 36 CO 0.14 -0.36 1.96 -0.38 -0.00 0.00 0.00 175.17 176.53 1zdx n ILE 37 N 5.28 0.71 -3.94 0.77 5.41 -0.15 -0.27 119.36 127.17 1zdx n ILE 37 Ca -0.06 -0.14 -0.31 0.00 1.00 0.00 0.00 62.75 63.25 1zdx n ILE 37 Cb 0.49 -2.20 -0.15 0.00 -0.71 0.00 0.00 39.64 37.07 1zdx n ILE 37 CO 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 176.55 176.24 1zdx s TYR 38 N 4.49 2.84 -0.11 1.39 1.51 -0.45 -0.21 117.35 126.81 1zdx s TYR 38 Ca 0.91 -2.27 -0.24 0.00 -1.01 0.00 0.00 57.07 54.46 1zdx s TYR 38 Cb -0.51 -2.14 -0.03 0.00 -0.11 0.00 0.00 41.96 39.17 1zdx s TYR 38 CO 0.45 -0.87 0.74 -1.17 -1.11 0.00 0.00 175.55 173.59 1zdx s LEU 39 N 1.23 4.26 -1.66 -1.29 2.96 0.42 -1.43 118.68 123.17 1zdx s LEU 39 Ca 0.03 1.16 -0.17 0.00 -0.22 0.00 0.00 54.13 54.94 1zdx s LEU 39 Cb -0.19 -3.12 0.14 0.00 0.50 0.00 0.00 46.19 43.52 1zdx s LEU 39 CO -0.11 -0.22 0.80 0.59 -1.32 0.00 0.00 176.35 176.09 1zdx n ASN 40 N 4.34 -3.37 -1.20 3.68 3.02 -0.63 -0.83 115.26 120.26 1zdx n ASN 40 Ca 0.01 -0.98 -0.09 0.00 -0.03 0.00 0.00 54.58 53.49 1zdx n ASN 40 Cb 0.50 -2.95 0.01 0.00 -0.61 0.00 0.00 39.78 36.73 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 -2.70 -3.22 -3.79 6.41 3.02 -1.26 -5.05 115.26 108.67 1zdx n ASN 41 Ca 0.05 -0.08 -0.13 0.00 -0.03 0.00 0.00 54.58 54.39 1zdx n ASN 41 Cb 0.51 -2.27 -0.14 0.00 -0.61 0.00 0.00 39.78 37.27 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 -2.79 -0.05 0.22 7.41 0.00 -0.01 -5.13 107.32 106.96 1zdx s GLY 42 Ca 0.08 0.51 -0.32 0.00 0.00 0.00 0.00 44.72 44.99 1zdx s GLY 42 CO 0.09 0.66 1.36 2.98 0.00 0.00 0.00 173.10 178.20 1zdx n TYR 43 N 3.66 1.96 -2.88 1.90 4.19 -1.26 -0.43 117.16 124.29 1zdx n TYR 43 Ca -0.20 0.48 -0.15 0.00 3.31 0.00 0.00 57.90 61.35 1zdx n TYR 43 Cb 0.55 -2.42 0.00 0.00 0.49 0.00 0.00 39.34 37.96 1zdx n TYR 43 CO 0.00 0.00 0.00 -1.33 0.91 0.00 0.00 176.86 176.44 1zdx n MET 44 N 2.04 1.29 0.00 2.98 0.00 0.71 -4.83 117.12 119.31 1zdx n MET 44 Ca 0.13 -3.45 0.00 0.00 0.00 0.00 0.00 57.70 54.38 1zdx n MET 44 Cb 0.30 -1.54 0.00 0.00 0.00 0.00 0.00 33.22 31.98 1zdx n MET 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1zdx n ALA 45 N 0.05 0.00 -3.80 3.04 0.00 -1.26 -4.70 120.51 113.84 1zdx n ALA 45 Ca 0.18 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.38 1zdx n ALA 45 Cb 0.73 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 20.00 1zdx n ALA 45 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1zdx s THR 46 N -2.90 0.65 0.32 0.00 -1.32 -1.26 -0.98 115.64 110.14 1zdx s THR 46 Ca 0.00 -0.06 -0.18 0.00 -1.21 0.00 0.00 61.69 60.24 1zdx s THR 46 Cb 0.00 -0.74 0.06 0.00 -1.51 0.00 0.00 72.50 70.31 1zdx s THR 46 CO 0.00 0.30 0.85 0.00 -2.21 0.00 0.00 174.62 173.56 1zdx s ARG 47 N 1.77 1.94 0.57 7.08 1.70 -0.92 -4.98 118.95 126.11 1zdx s ARG 47 Ca 0.03 -1.23 -0.19 0.00 -0.47 0.00 0.00 55.73 53.87 1zdx s ARG 47 Cb -0.13 0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 34.77 1zdx s ARG 47 CO -0.06 -0.91 1.21 0.16 -1.08 0.00 0.00 175.30 174.62 1zdx s ASP 48 N -3.14 5.35 -0.22 -2.89 1.47 -1.26 -2.37 116.67 113.61 1zdx s ASP 48 Ca 0.17 2.39 -0.04 0.00 1.18 0.00 0.00 52.55 56.25 1zdx s ASP 48 Cb -0.04 -2.60 0.07 0.00 -0.34 0.00 0.00 42.92 40.01 1zdx s ASP 48 CO 0.09 -1.49 0.08 -0.69 0.68 0.00 0.00 175.17 173.85 1zdx s VAL 49 N -1.58 0.19 0.55 2.11 1.01 -1.20 -4.96 120.40 116.50 1zdx s VAL 49 Ca 0.75 -0.52 -0.22 0.00 0.00 0.00 0.00 61.98 61.99 1zdx s VAL 49 Cb -0.30 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.13 1zdx s VAL 49 CO 0.34 -0.39 1.35 -0.89 0.00 0.00 0.00 175.10 175.50 1zdx s THR 50 N 2.00 2.10 0.06 3.92 2.01 -1.26 -2.94 115.64 121.54 1zdx s THR 50 Ca 0.03 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.11 1zdx s THR 50 Cb -0.16 -3.04 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 1zdx s THR 50 CO -0.16 -0.00 -0.04 0.72 -0.69 0.00 0.00 174.62 174.44 1zdx s PHE 51 N -1.31 0.63 0.21 4.92 -0.12 0.30 0.14 117.98 122.75 1zdx s PHE 51 Ca 0.72 -0.95 0.05 0.00 -0.05 0.00 0.00 56.93 56.70 1zdx s PHE 51 Cb -0.40 -0.42 -0.05 0.00 -0.63 0.00 0.00 43.02 41.52 1zdx s PHE 51 CO 0.47 -0.27 -0.06 -0.80 -0.05 0.00 0.00 175.22 174.51 1zdx s ASN 52 N -2.78 2.08 -0.40 1.98 0.01 -0.70 -2.59 114.94 112.55 1zdx s ASN 52 Ca 0.06 -1.13 -0.41 0.00 -0.71 0.00 0.00 52.86 50.67 1zdx s ASN 52 Cb 0.05 -0.05 -0.16 0.00 0.41 0.00 0.00 41.25 41.50 1zdx s ASN 52 CO -0.07 -0.39 1.94 0.41 -1.51 0.00 0.00 177.10 177.49 1zdx n THR 53 N -0.38 0.13 -3.74 1.60 -1.04 -1.26 -2.09 114.28 107.50 1zdx n THR 53 Ca -0.07 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.86 1zdx n THR 53 Cb 0.62 -0.98 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 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 5.70 3.83 2.72 3.41 0.00 -0.74 -4.84 105.19 115.27 1zdx n GLY 54 Ca 0.39 -1.53 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.78 2.99 0.09 1.61 3.68 -1.26 -4.33 116.67 118.67 1zdx s ASP 55 Ca 0.00 -0.89 -0.04 0.00 2.13 0.00 0.00 52.55 53.75 1zdx s ASP 55 Cb 0.00 -0.58 0.01 0.00 -1.45 0.00 0.00 42.92 40.90 1zdx s ASP 55 CO 0.00 -0.32 0.19 -1.20 0.13 0.00 0.00 175.17 173.96 1zdx n SER 56 N 5.06 -0.51 -0.36 -0.34 7.64 -1.26 -4.90 113.62 118.94 1zdx n SER 56 Ca -0.08 -1.35 -0.05 0.00 1.01 0.00 0.00 58.87 58.40 1zdx n SER 56 Cb 0.47 0.85 -0.01 0.00 -1.01 0.00 0.00 64.21 64.51 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 -0.04 0.00 1.43 4.39 -1.91 -0.16 114.58 118.29 1zdx h GLU 57 Ca -0.08 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.52 1zdx h GLU 57 Cb 0.28 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1zdx h GLU 57 CO 0.10 -0.02 -0.49 1.96 -1.16 0.00 0.00 179.01 179.39 1zdx h GLN 58 N -0.04 0.00 0.00 2.33 7.50 -1.96 -3.38 115.11 119.55 1zdx h GLN 58 Ca 0.27 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.42 1zdx h GLN 58 Cb 0.54 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.07 1zdx h GLN 58 CO -0.93 0.49 0.00 0.41 -1.50 0.00 0.00 178.83 177.31 1zdx n GLY 59 N 0.75 0.78 3.15 3.46 0.00 -0.07 -1.27 105.19 111.98 1zdx n GLY 59 Ca 0.01 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 0.01 -0.61 -4.36 -1.26 -1.79 121.20 111.27 1zdx s ILE 60 Ca 0.00 -0.68 0.01 0.00 -0.26 0.00 0.00 60.65 59.72 1zdx s ILE 60 Cb 0.00 -0.55 -0.01 0.00 1.25 0.00 0.00 42.46 43.14 1zdx s ILE 60 CO 0.00 -0.37 -0.03 0.68 0.24 0.00 0.00 174.94 175.45 1zdx s VAL 61 N -1.57 0.22 0.65 8.37 -7.23 -0.89 -4.74 120.40 115.22 1zdx s VAL 61 Ca -0.13 -0.51 -0.17 0.00 -1.81 0.00 0.00 61.98 59.36 1zdx s VAL 61 Cb -0.06 -0.27 -0.00 0.00 0.56 0.00 0.00 36.38 36.61 1zdx s VAL 61 CO 0.01 -0.19 1.20 -2.16 -0.31 0.00 0.00 175.10 173.65 1zdx s PRO 62 N -0.75 2.64 -1.16 4.82 0.04 -1.26 -1.72 135.00 137.61 1zdx s PRO 62 Ca -0.06 1.75 -0.17 0.00 0.04 0.00 0.00 61.00 62.56 1zdx s PRO 62 Cb -0.05 -1.90 0.12 0.00 0.04 0.00 0.00 34.50 32.72 1zdx s PRO 62 CO -0.00 -1.45 1.46 0.00 0.04 0.00 0.00 177.00 177.05 1zdx s LEU 64 N 2.83 4.63 0.59 0.00 1.43 -1.26 -4.83 118.68 122.06 1zdx s LEU 64 Ca 0.44 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1zdx s LEU 64 Cb -0.01 -2.63 0.05 0.00 0.03 0.00 0.00 46.19 43.62 1zdx s LEU 64 CO -0.01 -0.80 0.84 0.42 0.23 0.00 0.00 176.35 177.03 1zdx s THR 65 N 2.75 2.55 0.23 5.49 -4.23 -1.26 -0.67 115.64 120.50 1zdx s THR 65 Ca 0.20 -0.58 -0.07 0.00 -1.18 0.00 0.00 61.69 60.07 1zdx s THR 65 Cb -0.15 -2.97 0.19 0.00 1.34 0.00 0.00 72.50 70.90 1zdx s THR 65 CO 0.17 0.00 1.83 -0.09 -0.54 0.00 0.00 174.62 175.99 1zdx h ARG 66 N -0.11 0.83 0.45 3.99 2.43 -1.76 -0.44 114.38 119.77 1zdx h ARG 66 Ca -0.42 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 1zdx h ARG 66 Cb 1.30 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 30.66 1zdx h ARG 66 CO 0.53 0.55 -0.29 0.00 -1.51 0.00 0.00 179.97 179.25 1zdx h ALA 67 N 1.38 -0.71 -0.92 2.80 0.00 -1.80 -1.81 119.26 118.21 1zdx h ALA 67 Ca 0.34 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.24 1zdx h ALA 67 Cb 0.18 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 1zdx h ALA 67 CO -0.18 -0.92 0.54 1.96 0.00 0.00 0.00 179.25 180.66 1zdx h GLN 68 N -0.71 0.81 0.20 0.00 1.08 -1.67 0.23 115.11 115.05 1zdx h GLN 68 Ca -0.05 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 1zdx h GLN 68 Cb 0.59 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.84 1zdx h GLN 68 CO 0.04 0.54 -0.09 -0.07 -0.95 0.00 0.00 178.83 178.30 1zdx h LEU 69 N 0.84 -0.22 -2.63 1.46 3.38 -1.01 -2.19 115.31 114.95 1zdx h LEU 69 Ca 0.47 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1zdx h LEU 69 Cb 0.52 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1zdx h LEU 69 CO -0.29 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.37 1zdx h ALA 70 N 0.11 1.00 0.00 1.53 0.00 -0.69 -0.34 119.26 120.87 1zdx h ALA 70 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1zdx h ALA 70 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1zdx h ALA 70 CO 0.04 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.74 1zdx n SER 71 N -2.92 0.00 -0.21 0.00 2.88 0.76 -1.61 113.62 112.53 1zdx n SER 71 Ca -0.03 0.41 0.08 0.00 -1.33 0.00 0.00 58.87 58.00 1zdx n SER 71 Cb 0.07 -0.46 0.13 0.00 -0.75 0.00 0.00 64.21 63.20 1zdx n SER 71 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 1zdx n MET 72 N -1.46 1.17 -1.36 -1.46 -0.00 -0.22 -4.93 117.12 108.86 1zdx n MET 72 Ca 0.06 -2.50 -0.11 0.00 -0.00 0.00 0.00 57.70 55.15 1zdx n MET 72 Cb 0.24 -1.39 -0.04 0.00 -0.00 0.00 0.00 33.22 32.03 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 -1.22 1.13 3.74 3.17 0.00 -0.63 -4.28 105.19 107.10 1zdx n GLY 73 Ca 0.15 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.48 4.36 -1.12 0.99 1.98 -0.71 -1.34 118.68 120.36 1zdx s LEU 74 Ca 0.00 2.85 -0.16 0.00 -2.89 0.00 0.00 54.13 53.93 1zdx s LEU 74 Cb 0.00 -3.62 0.15 0.00 0.66 0.00 0.00 46.19 43.37 1zdx s LEU 74 CO 0.00 -0.87 1.36 0.21 -1.89 0.00 0.00 176.35 175.16 1zdx s ASN 75 N 0.59 6.91 0.20 3.68 3.84 -0.36 -4.10 114.94 125.69 1zdx s ASN 75 Ca 0.64 -2.63 0.18 0.00 0.21 0.00 0.00 52.86 51.27 1zdx s ASN 75 Cb -0.46 -2.42 0.84 0.00 -0.55 0.00 0.00 41.25 38.67 1zdx s ASN 75 CO 0.44 -0.89 1.56 0.35 -2.79 0.00 0.00 177.10 175.77 1zdx n THR 76 N 5.06 1.08 1.41 -5.21 -2.24 -1.26 -1.37 114.28 111.74 1zdx n THR 76 Ca 0.33 0.42 0.14 0.00 -2.27 0.00 0.00 64.05 62.67 1zdx n THR 76 Cb 0.45 -1.35 0.50 0.00 -2.10 0.00 0.00 70.33 67.83 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 -1.69 2.79 0.06 6.98 0.00 -1.26 -3.12 120.51 124.28 1zdx n ALA 77 Ca 0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 53.44 53.01 1zdx n ALA 77 Cb 0.13 -1.19 -0.02 0.00 0.00 0.00 0.00 19.45 18.38 1zdx n ALA 77 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1zdx h SER 78 N 1.61 -0.21 -3.01 0.00 4.64 -1.55 -3.45 113.55 111.58 1zdx h SER 78 Ca 0.00 0.01 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 1zdx h SER 78 Cb 0.47 0.05 -0.11 0.00 -0.31 0.00 0.00 62.40 62.50 1zdx h SER 78 CO 0.00 0.21 0.69 0.54 -0.87 0.00 0.00 176.83 177.40 1zdx s VAL 79 N -2.33 4.23 0.02 0.95 0.11 -1.24 -4.98 120.40 117.16 1zdx s VAL 79 Ca -0.04 0.30 -0.35 0.00 -2.93 0.00 0.00 61.98 58.96 1zdx s VAL 79 Cb 0.00 -4.64 -0.14 0.00 -1.53 0.00 0.00 36.38 30.07 1zdx s VAL 79 CO 0.11 -1.30 1.62 0.00 -3.33 0.00 0.00 175.10 172.20 1zdx n ALA 80 N 7.90 0.47 -0.27 1.54 0.00 -1.26 -1.48 120.51 127.41 1zdx n ALA 80 Ca 0.02 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.88 1zdx n ALA 80 Cb 0.48 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.62 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 3.55 0.80 0.08 0.00 0.00 -1.26 -4.96 105.19 103.41 1zdx n GLY 81 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.20 0.56 0.00 1.61 0.00 -0.55 -4.69 117.12 111.85 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 -1.34 0.00 0.00 0.00 0.00 0.00 33.22 31.88 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 -2.96 0.20 0.00 6.12 0.23 -1.18 -1.88 115.26 115.79 1zdx n ASN 83 Ca -0.30 -0.60 0.00 0.00 -0.53 0.00 0.00 54.58 53.16 1zdx n ASN 83 Cb 0.83 -0.10 0.00 0.00 -2.08 0.00 0.00 39.78 38.43 1zdx n ASN 83 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1zdx n LEU 84 N 0.08 0.30 -4.85 -4.53 -0.00 -1.26 -5.08 117.00 101.67 1zdx n LEU 84 Ca 0.00 -0.38 -0.32 0.00 -0.00 0.00 0.00 56.01 55.32 1zdx n LEU 84 Cb 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.45 1zdx n LEU 84 CO 0.00 0.08 0.69 -0.76 -0.00 0.00 0.00 177.39 177.40 1zdx s LEU 85 N -0.28 3.52 1.17 1.47 1.43 -0.79 -5.06 118.68 120.14 1zdx s LEU 85 Ca 0.00 1.55 -0.19 0.00 -1.03 0.00 0.00 54.13 54.46 1zdx s LEU 85 Cb 0.00 -4.50 0.28 0.00 0.03 0.00 0.00 46.19 42.00 1zdx s LEU 85 CO 0.00 -0.69 1.16 0.00 0.23 0.00 0.00 176.35 177.06 1zdx s ALA 86 N -2.75 0.96 -1.09 4.21 0.00 -1.26 -4.80 121.76 117.03 1zdx s ALA 86 Ca 0.58 -1.07 0.21 0.00 0.00 0.00 0.00 51.96 51.68 1zdx s ALA 86 Cb -0.10 -2.83 0.93 0.00 0.00 0.00 0.00 23.12 21.11 1zdx s ALA 86 CO 0.37 -3.40 1.67 -3.47 0.00 0.00 0.00 175.76 170.93 1zdx n ASP 87 N -4.59 0.00 -2.79 0.00 -0.08 -1.26 -3.04 116.55 104.78 1zdx n ASP 87 Ca 0.15 0.39 -0.10 0.00 -1.51 0.00 0.00 54.79 53.72 1zdx n ASP 87 Cb 0.60 -0.46 0.04 0.00 2.34 0.00 0.00 41.12 43.64 1zdx n ASP 87 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1zdx n ASP 88 N -1.46 -2.60 -2.75 1.67 2.03 -1.26 -4.48 116.55 107.71 1zdx n ASP 88 Ca 0.06 -3.25 -0.16 0.00 0.52 0.00 0.00 54.79 51.96 1zdx n ASP 88 Cb 0.23 1.59 0.01 0.00 -0.72 0.00 0.00 41.12 42.22 1zdx n ASP 88 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zdx n ALA 89 N 1.62 3.60 -3.94 -1.67 0.00 -1.26 -5.06 120.51 113.80 1zdx n ALA 89 Ca 0.10 -3.57 -0.34 0.00 0.00 0.00 0.00 53.44 49.63 1zdx n ALA 89 Cb 0.62 -0.84 0.01 0.00 0.00 0.00 0.00 19.45 19.25 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 -3.71 2.04 -0.84 0.00 1.01 0.16 -4.82 120.40 114.23 1zdx s VAL 91 Ca 0.33 0.03 -0.06 0.00 0.00 0.00 0.00 61.98 62.29 1zdx s VAL 91 Cb -0.18 -3.02 -0.06 0.00 0.00 0.00 0.00 36.38 33.12 1zdx s VAL 91 CO 0.75 -0.00 2.16 -0.81 0.00 0.00 0.00 175.10 177.20 1zdx n PRO 92 N -1.09 2.05 0.17 2.72 -0.04 -1.26 -4.64 135.00 132.90 1zdx n PRO 92 Ca 0.11 -1.39 0.12 0.00 -0.04 0.00 0.00 63.50 62.30 1zdx n PRO 92 Cb 0.45 -2.39 0.59 0.00 -0.04 0.00 0.00 33.50 32.11 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 7.95 0.00 -2.47 1.53 7.12 -1.90 0.73 115.31 128.27 1zdx h LEU 93 Ca 0.47 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.48 1zdx h LEU 93 Cb 0.24 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.37 1zdx h LEU 93 CO 1.34 0.00 0.00 0.35 -0.13 0.00 0.00 178.44 180.00 1zdx n THR 94 N -2.35 0.74 0.00 1.05 -2.24 -1.26 -4.26 114.28 105.96 1zdx n THR 94 Ca 0.00 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 1zdx n THR 94 Cb 0.14 0.64 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 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 -0.37 0.00 0.86 4.28 -1.04 -0.83 -4.62 114.28 112.56 1zdx n THR 95 Ca 0.00 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.12 1zdx n THR 95 Cb 0.27 -0.61 0.01 0.00 -1.82 0.00 0.00 70.33 68.17 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 -1.67 0.09 -4.31 -2.82 2.81 0.19 -4.93 117.12 106.49 1zdx n MET 96 Ca 0.00 -0.01 -0.27 0.00 -1.81 0.00 0.00 57.70 55.61 1zdx n MET 96 Cb 0.34 -1.52 -0.10 0.00 -0.71 0.00 0.00 33.22 31.23 1zdx n MET 96 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1zdx s VAL 97 N -3.06 3.02 0.30 2.03 -7.23 -1.25 -5.02 120.40 109.18 1zdx s VAL 97 Ca 0.07 -1.67 0.08 0.00 -1.81 0.00 0.00 61.98 58.65 1zdx s VAL 97 Cb 0.16 -2.47 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 1zdx s VAL 97 CO 0.81 -0.07 0.18 -1.58 -0.31 0.00 0.00 175.10 174.13 1zdx s GLN 98 N -2.67 2.61 0.00 4.82 0.74 -1.26 -4.58 119.66 119.31 1zdx s GLN 98 Ca 0.23 -1.32 0.00 0.00 0.05 0.00 0.00 55.36 54.32 1zdx s GLN 98 Cb -0.09 -2.36 0.00 0.00 1.10 0.00 0.00 33.01 31.66 1zdx s GLN 98 CO 0.14 0.22 0.00 -3.47 -0.55 0.00 0.00 175.29 171.63 1zdx n ASP 99 N -1.18 0.00 -4.66 6.67 2.03 -1.26 -4.66 116.55 113.49 1zdx n ASP 99 Ca -0.04 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 54.96 1zdx n ASP 99 Cb 0.60 0.00 0.17 0.00 -0.72 0.00 0.00 41.12 41.16 1zdx n ASP 99 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1zdx s ALA 100 N 0.00 1.29 0.19 -1.67 0.00 -1.26 -4.82 121.76 115.49 1zdx s ALA 100 Ca 0.00 0.38 -0.19 0.00 0.00 0.00 0.00 51.96 52.15 1zdx s ALA 100 Cb 0.00 -3.37 0.04 0.00 0.00 0.00 0.00 23.12 19.78 1zdx s ALA 100 CO 0.00 -2.75 0.54 0.95 0.00 0.00 0.00 175.76 174.50 1zdx s THR 101 N -2.68 0.02 -0.39 0.00 -4.23 -1.05 -4.86 115.64 102.45 1zdx s THR 101 Ca 0.66 -0.62 0.03 0.00 -1.18 0.00 0.00 61.69 60.58 1zdx s THR 101 Cb -0.22 -1.45 0.16 0.00 1.34 0.00 0.00 72.50 72.33 1zdx s THR 101 CO 0.59 -0.11 0.35 0.00 -0.54 0.00 0.00 174.62 174.91 1zdx s ALA 102 N -3.84 0.46 -0.36 3.99 0.00 -1.26 -2.29 121.76 118.45 1zdx s ALA 102 Ca 0.07 -1.72 -0.16 0.00 0.00 0.00 0.00 51.96 50.16 1zdx s ALA 102 Cb -0.01 -1.82 -0.00 0.00 0.00 0.00 0.00 23.12 21.29 1zdx s ALA 102 CO -0.05 -2.08 0.37 -1.58 0.00 0.00 0.00 175.76 172.42 1zdx s HIS 103 N 0.77 3.20 -0.48 0.00 5.04 -0.16 -4.75 115.29 118.91 1zdx s HIS 103 Ca 0.24 -0.13 -0.29 0.00 -1.54 0.00 0.00 55.06 53.34 1zdx s HIS 103 Cb -0.09 -2.71 0.03 0.00 0.04 0.00 0.00 32.58 29.85 1zdx s HIS 103 CO -0.08 -0.49 1.19 -1.17 -2.34 0.00 0.00 174.74 171.85 1zdx s LEU 104 N 2.02 3.60 -1.10 8.88 1.98 -1.26 -0.47 118.68 132.32 1zdx s LEU 104 Ca 0.11 0.47 -0.07 0.00 -2.89 0.00 0.00 54.13 51.75 1zdx s LEU 104 Cb -0.17 -3.50 0.29 0.00 0.66 0.00 0.00 46.19 43.47 1zdx s LEU 104 CO 0.12 -1.32 1.24 -0.67 -1.89 0.00 0.00 176.35 173.83 1zdx n ASP 105 N 8.10 5.82 -0.18 3.68 4.64 0.10 -4.89 116.55 133.82 1zdx n ASP 105 Ca 0.12 -3.17 0.12 0.00 -1.38 0.00 0.00 54.79 50.49 1zdx n ASP 105 Cb 0.49 -1.34 0.45 0.00 -1.04 0.00 0.00 41.12 39.68 1zdx n ASP 105 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 1zdx h VAL 106 N 3.57 0.86 0.00 5.18 3.04 -1.93 -0.96 116.25 126.01 1zdx h VAL 106 Ca 0.19 -0.18 -0.11 0.00 -1.01 0.00 0.00 66.70 65.59 1zdx h VAL 106 Cb 0.78 0.28 -0.02 0.00 -2.01 0.00 0.00 31.29 30.33 1zdx h VAL 106 CO 1.13 0.10 -0.52 1.23 -1.01 0.00 0.00 177.57 178.50 1zdx h GLY 107 N 0.53 0.00 0.03 3.17 0.00 -1.93 -2.45 103.07 102.42 1zdx h GLY 107 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1zdx h GLY 107 CO -0.13 0.00 -0.18 -1.06 0.00 0.00 0.00 176.54 175.17 1zdx n GLN 108 N -3.89 1.09 -4.36 4.80 1.13 -0.46 -4.93 117.38 110.75 1zdx n GLN 108 Ca -0.01 -0.64 -0.36 0.00 -1.94 0.00 0.00 57.00 54.05 1zdx n GLN 108 Cb 0.53 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 29.32 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 -0.40 -1.42 -5.09 -1.09 6.02 -0.63 -4.95 117.38 109.81 1zdx n GLN 109 Ca 0.14 0.18 -0.30 0.00 -0.01 0.00 0.00 57.00 57.01 1zdx n GLN 109 Cb 0.35 -4.37 -0.17 0.00 1.02 0.00 0.00 30.24 27.07 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 -7.18 2.61 -0.65 -1.09 3.52 -0.88 -1.02 118.95 114.26 1zdx s ARG 110 Ca 0.46 -0.79 -0.23 0.00 -0.13 0.00 0.00 55.73 55.04 1zdx s ARG 110 Cb -0.26 -2.06 0.06 0.00 -1.56 0.00 0.00 34.95 31.13 1zdx s ARG 110 CO 0.99 0.21 1.00 -1.17 -0.81 0.00 0.00 175.30 175.51 1zdx s LEU 111 N 0.25 4.19 -0.08 -0.88 2.96 0.63 -0.72 118.68 125.04 1zdx s LEU 111 Ca -0.14 -0.82 -0.30 0.00 -0.22 0.00 0.00 54.13 52.66 1zdx s LEU 111 Cb -0.16 -2.50 -0.05 0.00 0.50 0.00 0.00 46.19 43.97 1zdx s LEU 111 CO 0.06 -1.45 1.69 0.20 -1.32 0.00 0.00 176.35 175.53 1zdx s ASN 112 N 3.55 6.57 -0.02 3.68 0.01 0.38 -1.34 114.94 127.77 1zdx s ASN 112 Ca 0.25 2.17 0.02 0.00 -0.71 0.00 0.00 52.86 54.59 1zdx s ASN 112 Cb -0.15 -2.53 0.00 0.00 0.41 0.00 0.00 41.25 38.98 1zdx s ASN 112 CO 0.12 -1.01 -0.07 -0.22 -1.51 0.00 0.00 177.10 174.41 1zdx s LEU 113 N 4.37 1.78 0.05 0.60 1.98 -0.52 -0.99 118.68 125.95 1zdx s LEU 113 Ca 0.75 -0.15 0.06 0.00 -2.89 0.00 0.00 54.13 51.90 1zdx s LEU 113 Cb -0.33 -0.45 -0.02 0.00 0.66 0.00 0.00 46.19 46.05 1zdx s LEU 113 CO 0.30 0.05 -0.17 -0.89 -1.89 0.00 0.00 176.35 173.76 1zdx s THR 114 N 0.20 1.32 -0.01 3.68 2.01 -0.97 -1.60 115.64 120.27 1zdx s THR 114 Ca -0.03 -1.15 0.00 0.00 0.31 0.00 0.00 61.69 60.83 1zdx s THR 114 Cb -0.07 -1.19 0.01 0.00 0.01 0.00 0.00 72.50 71.26 1zdx s THR 114 CO 0.00 0.02 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.32 1zdx s ILE 115 N -0.92 0.12 0.68 1.82 1.01 -1.26 -2.55 121.20 120.10 1zdx s ILE 115 Ca 0.03 0.03 -0.16 0.00 0.00 0.00 0.00 60.65 60.55 1zdx s ILE 115 Cb -0.09 -0.17 0.01 0.00 0.01 0.00 0.00 42.46 42.23 1zdx s ILE 115 CO 0.02 0.08 1.21 -2.16 0.00 0.00 0.00 174.94 174.09 1zdx s PRO 116 N 0.50 2.46 0.65 2.79 0.04 -1.26 -4.90 135.00 135.27 1zdx s PRO 116 Ca -0.05 1.80 0.37 0.00 0.04 0.00 0.00 61.00 63.16 1zdx s PRO 116 Cb -0.07 -1.87 2.03 0.00 0.04 0.00 0.00 34.50 34.63 1zdx s PRO 116 CO -0.01 -1.60 2.19 1.96 0.04 0.00 0.00 177.00 179.58 1zdx h GLN 117 N 0.15 0.00 -0.91 4.56 1.08 -1.99 -0.39 115.11 117.62 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 1.30 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.68 1zdx h GLN 117 CO 0.52 0.00 0.55 0.00 -0.95 0.00 0.00 178.83 178.95 1zdx h ALA 118 N 1.78 1.16 -0.93 3.87 0.00 -2.00 -3.06 119.26 120.07 1zdx h ALA 118 Ca 0.02 -0.10 -0.61 0.00 0.00 0.00 0.00 54.91 54.21 1zdx h ALA 118 Cb 0.27 -0.37 -0.30 0.00 0.00 0.00 0.00 17.79 17.39 1zdx h ALA 118 CO -0.00 0.61 0.57 1.19 0.00 0.00 0.00 179.25 181.62 1zdx n PHE 119 N -4.39 3.04 -4.31 0.00 3.01 -0.16 -4.85 117.46 109.81 1zdx n PHE 119 Ca 0.10 -2.69 -0.20 0.00 1.01 0.00 0.00 57.45 55.67 1zdx n PHE 119 Cb 0.06 -1.19 -0.11 0.00 -0.01 0.00 0.00 39.48 38.23 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 -3.69 1.21 -0.58 -1.08 -1.94 -1.16 -1.23 119.30 110.83 1zdx s MET 120 Ca 0.61 -1.39 0.03 0.00 -1.71 0.00 0.00 55.69 53.22 1zdx s MET 120 Cb 0.49 -1.17 0.40 0.00 2.01 0.00 0.00 34.83 36.56 1zdx s MET 120 CO 0.01 0.23 1.44 0.45 -0.01 0.00 0.00 175.02 177.14 1zdx n SER 121 N 0.24 5.74 -3.92 3.03 2.88 -0.45 -4.60 113.62 116.54 1zdx n SER 121 Ca -0.13 -3.76 -0.31 0.00 -1.33 0.00 0.00 58.87 53.34 1zdx n SER 121 Cb 0.58 -0.67 -0.04 0.00 -0.75 0.00 0.00 64.21 63.33 1zdx n SER 121 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1zdx n ASN 122 N -0.52 -2.62 0.21 -3.46 5.15 -1.26 -4.55 115.26 108.21 1zdx n ASN 122 Ca 0.45 -0.76 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 1zdx n ASN 122 Cb 0.53 -2.21 0.00 0.00 -0.53 0.00 0.00 39.78 37.57 1zdx n ASN 122 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1zdx n ARG 123 N -3.88 0.00 0.00 1.20 5.12 -1.26 -4.99 116.66 112.85 1zdx n ARG 123 Ca 0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.98 1zdx n ARG 123 Cb 0.49 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.79 1zdx n ARG 123 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1zdx n ALA 124 N -3.48 0.00 -0.47 7.54 0.00 -1.26 -5.03 120.51 117.81 1zdx n ALA 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1zdx n ALA 124 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.29 1zdx n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04