#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zdx n GLN 26 N 0.00 -2.90 0.00 1.61 -0.06 -0.53 -4.90 117.38 110.61 1zdx n GLN 26 Ca 0.00 2.10 0.00 0.00 -2.00 0.00 0.00 57.00 57.10 1zdx n GLN 26 Cb 0.00 -3.48 0.00 0.00 -4.06 0.00 0.00 30.24 22.70 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 -4.17 0.00 -3.15 3.69 0.28 -1.25 -4.79 120.64 111.25 1zdx n GLU 27 Ca -0.02 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.02 1zdx n GLU 27 Cb 0.63 0.00 -0.00 0.00 1.43 0.00 0.00 31.44 33.50 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 -1.42 0.51 -1.84 1.43 -0.84 -4.98 118.68 111.54 1zdx s LEU 28 Ca 0.00 0.32 -0.19 0.00 -1.03 0.00 0.00 54.13 53.22 1zdx s LEU 28 Cb 0.00 1.96 -0.07 0.00 0.03 0.00 0.00 46.19 48.11 1zdx s LEU 28 CO 0.00 -0.26 1.06 -2.16 0.23 0.00 0.00 176.35 175.22 1zdx s PRO 29 N 2.85 3.64 0.93 1.29 0.04 -1.26 -4.58 135.00 137.90 1zdx s PRO 29 Ca 0.14 1.40 -0.12 0.00 0.04 0.00 0.00 61.00 62.45 1zdx s PRO 29 Cb -0.10 -2.07 0.15 0.00 0.04 0.00 0.00 34.50 32.52 1zdx s PRO 29 CO -0.24 -0.57 1.11 -1.25 0.04 0.00 0.00 177.00 176.09 1zdx s PRO 30 N -3.35 1.02 0.00 0.56 0.04 -1.26 -5.00 135.00 127.01 1zdx s PRO 30 Ca 0.68 0.44 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1zdx s PRO 30 Cb -0.18 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1zdx s PRO 30 CO 0.24 -2.31 0.00 0.41 0.04 0.00 0.00 177.00 175.38 1zdx n GLY 31 N -1.75 -0.59 3.00 0.56 0.00 -1.21 -5.02 105.19 100.18 1zdx n GLY 31 Ca 0.06 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.54 -0.03 -0.11 2.61 -1.32 -1.26 -2.35 115.64 110.64 1zdx s THR 32 Ca 0.00 0.11 0.04 0.00 -1.21 0.00 0.00 61.69 60.62 1zdx s THR 32 Cb 0.00 -0.28 0.00 0.00 -1.51 0.00 0.00 72.50 70.72 1zdx s THR 32 CO 0.00 0.04 -0.24 -0.72 -2.21 0.00 0.00 174.62 171.50 1zdx s TYR 33 N 0.80 2.57 -0.42 9.09 -0.85 -0.68 -4.83 117.35 123.03 1zdx s TYR 33 Ca -0.06 -1.09 -0.23 0.00 -0.52 0.00 0.00 57.07 55.18 1zdx s TYR 33 Cb -0.08 -1.72 0.02 0.00 0.38 0.00 0.00 41.96 40.56 1zdx s TYR 33 CO -0.04 -0.45 0.76 0.50 -1.52 0.00 0.00 175.55 174.80 1zdx s ARG 34 N 0.41 3.50 0.25 -3.49 3.00 -1.26 -0.56 118.95 120.80 1zdx s ARG 34 Ca -0.17 -0.02 -0.14 0.00 -1.00 0.00 0.00 55.73 54.40 1zdx s ARG 34 Cb -0.18 -3.90 0.00 0.00 0.00 0.00 0.00 34.95 30.88 1zdx s ARG 34 CO 0.07 -1.01 0.52 0.14 0.00 0.00 0.00 175.30 175.02 1zdx s VAL 35 N 3.16 0.00 -0.33 7.11 -7.23 0.12 -4.84 120.40 118.39 1zdx s VAL 35 Ca 0.29 -1.30 -0.10 0.00 -1.81 0.00 0.00 61.98 59.07 1zdx s VAL 35 Cb -0.13 -2.12 0.01 0.00 0.56 0.00 0.00 36.38 34.70 1zdx s VAL 35 CO 0.20 -0.02 0.16 -1.81 -0.31 0.00 0.00 175.10 173.33 1zdx s ASP 36 N -2.99 5.55 0.01 4.85 1.01 -0.32 -1.71 116.67 123.07 1zdx s ASP 36 Ca 0.20 -0.74 -0.30 0.00 0.71 0.00 0.00 52.55 52.42 1zdx s ASP 36 Cb -0.01 -1.99 -0.08 0.00 1.01 0.00 0.00 42.92 41.85 1zdx s ASP 36 CO 0.08 -0.26 1.95 -0.63 0.21 0.00 0.00 175.17 176.51 1zdx s ILE 37 N 1.57 3.08 -0.45 0.77 1.09 0.14 -0.36 121.20 127.04 1zdx s ILE 37 Ca 0.03 0.10 0.01 0.00 -1.10 0.00 0.00 60.65 59.69 1zdx s ILE 37 Cb -0.18 -3.07 0.12 0.00 -1.06 0.00 0.00 42.46 38.27 1zdx s ILE 37 CO 0.06 -0.01 0.21 -0.31 -0.10 0.00 0.00 174.94 174.78 1zdx s TYR 38 N 4.62 3.52 -0.14 3.97 1.51 -0.00 -0.36 117.35 130.46 1zdx s TYR 38 Ca 0.87 -2.86 -0.25 0.00 -1.01 0.00 0.00 57.07 53.82 1zdx s TYR 38 Cb -0.41 -3.02 -0.02 0.00 -0.11 0.00 0.00 41.96 38.40 1zdx s TYR 38 CO 0.40 -0.88 0.82 -1.17 -1.11 0.00 0.00 175.55 173.60 1zdx s LEU 39 N 0.49 4.21 -1.25 -1.29 2.96 0.12 -0.80 118.68 123.11 1zdx s LEU 39 Ca 0.13 1.20 -0.29 0.00 -0.22 0.00 0.00 54.13 54.95 1zdx s LEU 39 Cb -0.22 -3.23 0.04 0.00 0.50 0.00 0.00 46.19 43.29 1zdx s LEU 39 CO -0.04 -0.34 0.55 -0.46 -1.32 0.00 0.00 176.35 174.74 1zdx n ASN 40 N 4.91 -3.16 -3.73 3.68 0.23 -0.13 -0.51 115.26 116.56 1zdx n ASN 40 Ca 0.04 -1.29 -0.26 0.00 -0.53 0.00 0.00 54.58 52.53 1zdx n ASN 40 Cb 0.49 -1.55 0.06 0.00 -2.08 0.00 0.00 39.78 36.70 1zdx n ASN 40 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1zdx n ASN 41 N -2.20 -5.45 -3.70 0.53 3.02 -1.26 -5.01 115.26 101.19 1zdx n ASN 41 Ca -0.15 -0.65 -0.16 0.00 -0.03 0.00 0.00 54.58 53.59 1zdx n ASN 41 Cb 0.57 -4.54 -0.16 0.00 -0.61 0.00 0.00 39.78 35.04 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 -3.38 0.06 0.14 7.41 0.00 0.34 -5.13 107.32 106.76 1zdx s GLY 42 Ca 0.58 0.50 -0.32 0.00 0.00 0.00 0.00 44.72 45.48 1zdx s GLY 42 CO 0.77 1.37 1.75 2.98 0.00 0.00 0.00 173.10 179.97 1zdx n TYR 43 N 4.94 2.55 -0.05 1.90 9.36 -1.26 -0.70 117.16 133.90 1zdx n TYR 43 Ca -0.12 0.01 -0.09 0.00 3.32 0.00 0.00 57.90 61.02 1zdx n TYR 43 Cb 0.50 -2.67 -0.04 0.00 -0.63 0.00 0.00 39.34 36.51 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 4.76 0.23 -3.68 2.98 2.81 0.51 -4.91 117.12 119.82 1zdx n MET 44 Ca 0.18 0.08 -0.08 0.00 -1.81 0.00 0.00 57.70 56.07 1zdx n MET 44 Cb 0.34 -1.02 -0.02 0.00 -0.71 0.00 0.00 33.22 31.81 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 -2.19 -1.46 -0.17 3.04 0.00 -1.24 -4.98 121.76 114.75 1zdx s ALA 45 Ca -0.14 0.13 0.01 0.00 0.00 0.00 0.00 51.96 51.96 1zdx s ALA 45 Cb 0.05 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1zdx s ALA 45 CO 0.20 -0.93 -0.19 0.99 0.00 0.00 0.00 175.76 175.84 1zdx s THR 46 N -3.68 2.21 0.34 0.00 2.01 -1.26 -0.68 115.64 114.58 1zdx s THR 46 Ca 0.08 -0.90 -0.18 0.00 0.31 0.00 0.00 61.69 61.00 1zdx s THR 46 Cb -0.03 -1.92 0.05 0.00 0.01 0.00 0.00 72.50 70.61 1zdx s THR 46 CO -0.01 0.53 0.79 0.00 -0.69 0.00 0.00 174.62 175.24 1zdx s ARG 47 N 1.10 2.06 -0.06 4.92 1.70 -0.69 -4.99 118.95 122.99 1zdx s ARG 47 Ca 0.00 -1.28 -0.29 0.00 -0.47 0.00 0.00 55.73 53.69 1zdx s ARG 47 Cb -0.14 0.60 -0.02 0.00 -0.57 0.00 0.00 34.95 34.82 1zdx s ARG 47 CO -0.08 -0.96 0.94 0.16 -1.08 0.00 0.00 175.30 174.29 1zdx s ASP 48 N -3.05 7.25 -0.27 -2.89 3.84 -1.26 -0.71 116.67 119.58 1zdx s ASP 48 Ca 0.15 1.52 0.02 0.00 -0.00 0.00 0.00 52.55 54.24 1zdx s ASP 48 Cb -0.05 -2.54 0.06 0.00 -1.38 0.00 0.00 42.92 39.01 1zdx s ASP 48 CO 0.10 -0.32 -0.08 -0.69 -0.00 0.00 0.00 175.17 174.17 1zdx s VAL 49 N 1.44 2.31 -0.94 2.11 1.01 0.28 -4.88 120.40 121.74 1zdx s VAL 49 Ca 0.48 -1.63 -0.23 0.00 0.00 0.00 0.00 61.98 60.61 1zdx s VAL 49 Cb -0.19 -2.37 0.06 0.00 0.00 0.00 0.00 36.38 33.88 1zdx s VAL 49 CO 0.22 -0.07 1.33 -0.89 0.00 0.00 0.00 175.10 175.70 1zdx s THR 50 N 1.12 4.07 0.76 3.92 2.01 -1.26 -1.69 115.64 124.57 1zdx s THR 50 Ca -0.08 -0.73 -0.12 0.00 0.31 0.00 0.00 61.69 61.08 1zdx s THR 50 Cb -0.20 -4.96 0.05 0.00 0.01 0.00 0.00 72.50 67.40 1zdx s THR 50 CO -0.04 -1.81 1.13 0.72 -0.69 0.00 0.00 174.62 173.92 1zdx s PHE 51 N 4.58 3.11 0.21 4.92 -0.71 -0.99 -1.49 117.98 127.61 1zdx s PHE 51 Ca 0.40 0.93 -0.21 0.00 -1.04 0.00 0.00 56.93 57.02 1zdx s PHE 51 Cb -0.03 -3.26 0.04 0.00 -1.21 0.00 0.00 43.02 38.56 1zdx s PHE 51 CO -0.05 -1.50 0.61 0.54 -1.34 0.00 0.00 175.22 173.48 1zdx s ASN 52 N -4.40 -0.37 0.00 1.98 2.20 -0.02 -3.35 114.94 110.97 1zdx s ASN 52 Ca 0.60 -0.35 -0.30 0.00 -0.94 0.00 0.00 52.86 51.86 1zdx s ASN 52 Cb -0.11 0.63 -0.06 0.00 -2.00 0.00 0.00 41.25 39.71 1zdx s ASN 52 CO 0.51 -1.12 1.52 -0.89 -2.94 0.00 0.00 177.10 174.18 1zdx s THR 53 N -3.85 3.50 0.00 0.54 2.01 -1.26 -1.08 115.64 115.51 1zdx s THR 53 Ca 0.07 0.85 0.00 0.00 0.31 0.00 0.00 61.69 62.92 1zdx s THR 53 Cb -0.03 -3.55 0.00 0.00 0.01 0.00 0.00 72.50 68.94 1zdx s THR 53 CO -0.03 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.49 1zdx n GLY 54 N 3.85 4.75 0.26 4.40 0.00 -0.07 -4.83 105.19 113.55 1zdx n GLY 54 Ca 0.15 -1.55 0.03 0.00 0.00 0.00 0.00 46.02 44.64 1zdx n GLY 54 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1zdx n ASP 55 N -1.28 2.10 -4.13 1.61 4.64 -1.26 -4.34 116.55 113.89 1zdx n ASP 55 Ca 0.00 -1.75 -0.30 0.00 -1.38 0.00 0.00 54.79 51.37 1zdx n ASP 55 Cb 0.00 -0.07 0.19 0.00 -1.04 0.00 0.00 41.12 40.20 1zdx n ASP 55 CO 0.00 0.00 0.00 -0.44 -0.82 0.00 0.00 177.20 175.94 1zdx s SER 56 N -0.81 2.98 0.00 1.67 0.01 -1.26 -4.86 113.70 111.43 1zdx s SER 56 Ca 0.09 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.66 1zdx s SER 56 Cb 0.05 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.90 1zdx s SER 56 CO 0.07 -2.82 0.73 -0.62 0.41 0.00 0.00 173.24 171.01 1zdx n GLU 57 N -3.83 0.00 0.11 12.44 -0.58 -1.26 -0.51 120.64 127.01 1zdx n GLU 57 Ca 0.15 0.73 0.10 0.00 -0.42 0.00 0.00 57.16 57.72 1zdx n GLU 57 Cb 0.59 -1.12 0.45 0.00 -0.57 0.00 0.00 31.44 30.80 1zdx n GLU 57 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1zdx n GLN 58 N -2.51 0.15 -0.43 3.49 3.00 -1.26 -1.45 117.38 118.36 1zdx n GLN 58 Ca 0.00 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.42 1zdx n GLN 58 Cb 0.00 -1.81 0.00 0.00 0.00 0.00 0.00 30.24 28.43 1zdx n GLN 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1zdx n GLY 59 N -0.26 0.78 3.14 1.08 0.00 0.34 -1.98 105.19 108.29 1zdx n GLY 59 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.07 0.15 0.01 -0.61 -4.36 -1.26 -0.90 121.20 112.16 1zdx s ILE 60 Ca 0.00 -1.25 0.02 0.00 -0.26 0.00 0.00 60.65 59.16 1zdx s ILE 60 Cb 0.00 -1.13 -0.01 0.00 1.25 0.00 0.00 42.46 42.56 1zdx s ILE 60 CO 0.00 -0.69 -0.06 0.68 0.24 0.00 0.00 174.94 175.11 1zdx s VAL 61 N -3.19 0.41 0.84 8.37 -7.23 -0.24 -4.64 120.40 114.73 1zdx s VAL 61 Ca -0.00 -0.55 -0.11 0.00 -1.81 0.00 0.00 61.98 59.50 1zdx s VAL 61 Cb 0.02 -0.41 0.10 0.00 0.56 0.00 0.00 36.38 36.64 1zdx s VAL 61 CO -0.07 -0.11 1.09 -2.16 -0.31 0.00 0.00 175.10 173.54 1zdx s PRO 62 N -0.71 1.69 -0.10 4.82 0.04 -1.26 -0.84 135.00 138.64 1zdx s PRO 62 Ca -0.03 0.84 -0.30 0.00 0.04 0.00 0.00 61.00 61.55 1zdx s PRO 62 Cb -0.05 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.61 1zdx s PRO 62 CO -0.00 -1.95 1.08 0.00 0.04 0.00 0.00 177.00 176.17 1zdx s LEU 64 N 2.18 1.61 0.32 0.00 1.02 -1.26 -4.63 118.68 117.92 1zdx s LEU 64 Ca 0.51 -0.09 0.07 0.00 0.02 0.00 0.00 54.13 54.64 1zdx s LEU 64 Cb -0.20 -0.33 -0.06 0.00 0.02 0.00 0.00 46.19 45.62 1zdx s LEU 64 CO 0.19 -0.01 -0.06 0.42 0.02 0.00 0.00 176.35 176.91 1zdx s THR 65 N 0.45 1.85 0.33 5.49 -4.23 -1.26 -0.54 115.64 117.73 1zdx s THR 65 Ca -0.05 -2.13 0.04 0.00 -1.18 0.00 0.00 61.69 58.37 1zdx s THR 65 Cb -0.09 -2.60 0.30 0.00 1.34 0.00 0.00 72.50 71.45 1zdx s THR 65 CO -0.00 -0.21 1.89 -0.09 -0.54 0.00 0.00 174.62 175.67 1zdx h ARG 66 N 2.13 0.84 0.61 3.99 2.43 -1.75 0.28 114.38 122.92 1zdx h ARG 66 Ca -0.41 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 58.68 1zdx h ARG 66 Cb 1.24 -0.19 0.01 0.00 -0.42 0.00 0.00 29.97 30.61 1zdx h ARG 66 CO 0.70 0.56 -0.29 0.00 -1.51 0.00 0.00 179.97 179.42 1zdx h ALA 67 N 1.56 -0.82 -0.96 2.80 0.00 -1.83 -0.38 119.26 119.63 1zdx h ALA 67 Ca 0.41 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.25 1zdx h ALA 67 Cb 0.42 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.44 1zdx h ALA 67 CO -0.18 -0.88 0.58 1.96 0.00 0.00 0.00 179.25 180.73 1zdx h GLN 68 N -0.98 0.85 0.15 0.00 1.08 -1.53 0.32 115.11 115.02 1zdx h GLN 68 Ca -0.08 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.06 1zdx h GLN 68 Cb 0.68 -0.19 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1zdx h GLN 68 CO 0.14 0.56 -0.07 -0.07 -0.95 0.00 0.00 178.83 178.44 1zdx h LEU 69 N 0.88 -0.18 -0.56 1.46 3.38 -1.01 -3.06 115.31 116.22 1zdx h LEU 69 Ca 0.50 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1zdx h LEU 69 Cb 0.57 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1zdx h LEU 69 CO -0.30 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.62 1zdx n ALA 70 N -2.57 1.43 -0.22 1.53 0.00 -0.15 -0.99 120.51 119.52 1zdx n ALA 70 Ca -0.08 0.06 -0.08 0.00 0.00 0.00 0.00 53.44 53.35 1zdx n ALA 70 Cb 0.26 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 18.47 1zdx n ALA 70 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1zdx h SER 71 N 0.00 0.92 0.10 0.00 0.02 -0.26 -1.84 113.55 112.49 1zdx h SER 71 Ca 0.00 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.74 1zdx h SER 71 Cb 0.20 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.50 1zdx h SER 71 CO 0.00 0.89 0.00 0.23 -1.14 0.00 0.00 176.83 176.81 1zdx n MET 72 N -4.37 0.56 -0.89 3.45 2.81 -0.16 -4.87 117.12 113.64 1zdx n MET 72 Ca 0.04 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.95 1zdx n MET 72 Cb 0.22 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.23 1zdx n MET 72 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1zdx n GLY 73 N 0.34 0.55 3.67 3.03 0.00 -0.69 -4.37 105.19 107.72 1zdx n GLY 73 Ca 0.14 -0.01 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 1zdx n GLY 73 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1zdx n LEU 74 N 0.00 3.08 -4.51 0.99 -0.00 -0.77 -3.52 117.00 112.27 1zdx n LEU 74 Ca 0.00 1.13 -0.42 0.00 -0.00 0.00 0.00 56.01 56.72 1zdx n LEU 74 Cb 0.00 -1.42 -0.03 0.00 -0.00 0.00 0.00 43.42 41.97 1zdx n LEU 74 CO 0.00 -0.46 1.19 0.21 -0.00 0.00 0.00 177.39 178.33 1zdx s ASN 75 N 0.41 6.47 0.42 1.96 3.84 -0.71 -4.27 114.94 123.07 1zdx s ASN 75 Ca 0.70 -1.51 0.10 0.00 0.21 0.00 0.00 52.86 52.37 1zdx s ASN 75 Cb -0.66 -2.49 0.90 0.00 -0.55 0.00 0.00 41.25 38.45 1zdx s ASN 75 CO 0.47 -1.37 2.00 0.71 -2.79 0.00 0.00 177.10 176.11 1zdx h THR 76 N 6.28 1.12 0.00 -5.21 1.35 -1.90 -2.82 112.91 111.73 1zdx h THR 76 Ca 0.08 -0.48 -0.10 0.00 -0.55 0.00 0.00 66.41 65.36 1zdx h THR 76 Cb 1.03 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 1zdx h THR 76 CO 1.27 0.16 -0.45 0.00 -0.25 0.00 0.00 175.52 176.25 1zdx h ALA 77 N 1.74 1.11 0.00 6.62 0.00 -1.98 -2.43 119.26 124.32 1zdx h ALA 77 Ca 0.06 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1zdx h ALA 77 Cb 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1zdx h ALA 77 CO 0.00 0.57 0.07 0.77 0.00 0.00 0.00 179.25 180.66 1zdx h SER 78 N 0.00 0.00 -3.70 0.00 0.02 -1.82 -3.38 113.55 104.66 1zdx h SER 78 Ca -0.00 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 60.26 1zdx h SER 78 Cb 0.88 0.00 -0.33 0.00 0.14 0.00 0.00 62.40 63.10 1zdx h SER 78 CO 0.06 0.00 -0.66 -0.69 -1.14 0.00 0.00 176.83 174.40 1zdx s VAL 79 N -4.12 3.16 -0.86 2.27 1.01 -0.91 -4.99 120.40 115.95 1zdx s VAL 79 Ca -0.05 -1.47 -0.23 0.00 0.00 0.00 0.00 61.98 60.23 1zdx s VAL 79 Cb 0.12 -2.88 -0.16 0.00 0.00 0.00 0.00 36.38 33.46 1zdx s VAL 79 CO 0.38 -0.23 1.90 0.00 0.00 0.00 0.00 175.10 177.15 1zdx n ALA 80 N 4.64 2.40 0.00 5.51 0.00 -1.26 -2.36 120.51 129.44 1zdx n ALA 80 Ca -0.11 -3.10 0.00 0.00 0.00 0.00 0.00 53.44 50.23 1zdx n ALA 80 Cb 0.43 -3.58 0.00 0.00 0.00 0.00 0.00 19.45 16.30 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 5.09 0.00 0.08 0.00 0.00 -1.26 -5.05 105.19 104.05 1zdx n GLY 81 Ca 0.47 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.40 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 0.00 1.18 0.00 1.61 0.00 -1.00 -4.65 117.12 114.26 1zdx n MET 82 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.74 1zdx n MET 82 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 33.22 31.84 1zdx n MET 82 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 1zdx n ASN 83 N -2.73 0.23 0.00 6.12 3.02 -1.26 -2.40 115.26 118.24 1zdx n ASN 83 Ca -0.28 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 1zdx n ASN 83 Cb 0.94 -0.11 0.00 0.00 -0.61 0.00 0.00 39.78 40.00 1zdx n ASN 83 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1zdx n LEU 84 N -0.14 0.33 -4.93 3.41 -0.00 -1.26 -5.07 117.00 109.33 1zdx n LEU 84 Ca 0.00 -0.33 -0.26 0.00 -0.00 0.00 0.00 56.01 55.42 1zdx n LEU 84 Cb 0.06 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.54 1zdx n LEU 84 CO 0.00 0.08 0.62 -0.76 -0.00 0.00 0.00 177.39 177.33 1zdx s LEU 85 N -0.06 2.82 0.63 1.47 1.43 -1.01 -5.11 118.68 118.85 1zdx s LEU 85 Ca 0.00 0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 53.57 1zdx s LEU 85 Cb 0.00 -3.14 0.05 0.00 0.03 0.00 0.00 46.19 43.13 1zdx s LEU 85 CO 0.00 -1.58 0.90 0.00 0.23 0.00 0.00 176.35 175.89 1zdx s ALA 86 N -3.25 3.56 -1.21 4.21 0.00 -1.26 -4.93 121.76 118.87 1zdx s ALA 86 Ca 0.60 -1.18 0.19 0.00 0.00 0.00 0.00 51.96 51.56 1zdx s ALA 86 Cb -0.11 -2.30 0.87 0.00 0.00 0.00 0.00 23.12 21.58 1zdx s ALA 86 CO 0.45 -1.05 1.58 -0.25 0.00 0.00 0.00 175.76 176.50 1zdx n ASP 87 N -2.63 0.00 -2.16 0.00 10.43 -1.26 -2.49 116.55 118.43 1zdx n ASP 87 Ca 0.09 0.27 -0.01 0.00 2.57 0.00 0.00 54.79 57.70 1zdx n ASP 87 Cb 0.60 -0.40 0.05 0.00 1.84 0.00 0.00 41.12 43.21 1zdx n ASP 87 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1zdx n ASP 88 N -1.40 1.78 -4.48 -2.24 5.68 -1.26 -4.07 116.55 110.57 1zdx n ASP 88 Ca 0.07 -2.34 -0.33 0.00 -0.50 0.00 0.00 54.79 51.68 1zdx n ASP 88 Cb 0.18 -0.41 -0.13 0.00 -1.14 0.00 0.00 41.12 39.63 1zdx n ASP 88 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1zdx s ALA 89 N -2.54 2.85 -0.75 2.12 0.00 -1.04 -5.01 121.76 117.39 1zdx s ALA 89 Ca 0.33 -0.87 -0.26 0.00 0.00 0.00 0.00 51.96 51.16 1zdx s ALA 89 Cb 0.36 -1.33 -0.09 0.00 0.00 0.00 0.00 23.12 22.06 1zdx s ALA 89 CO -0.07 0.33 2.22 0.00 0.00 0.00 0.00 175.76 178.24 1zdx s VAL 91 N 12.45 2.16 -1.32 0.00 1.01 0.30 -4.91 120.40 130.09 1zdx s VAL 91 Ca 0.85 0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.81 1zdx s VAL 91 Cb -0.12 -3.10 0.03 0.00 0.00 0.00 0.00 36.38 33.19 1zdx s VAL 91 CO 0.10 0.03 1.98 -0.81 0.00 0.00 0.00 175.10 176.40 1zdx n PRO 92 N 0.83 2.80 0.08 2.72 -0.04 -1.26 -4.63 135.00 135.50 1zdx n PRO 92 Ca 0.02 -2.82 -0.12 0.00 -0.04 0.00 0.00 63.50 60.55 1zdx n PRO 92 Cb 0.39 -3.38 -0.05 0.00 -0.04 0.00 0.00 33.50 30.42 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 11.93 -0.74 0.00 1.53 7.12 -1.92 0.90 115.31 134.14 1zdx h LEU 93 Ca 0.48 0.09 0.00 0.00 0.13 0.00 0.00 57.88 58.59 1zdx h LEU 93 Cb 0.76 0.29 0.00 0.00 -0.53 0.00 0.00 40.66 41.18 1zdx h LEU 93 CO 1.67 -0.33 0.00 0.35 -0.13 0.00 0.00 178.44 180.00 1zdx n THR 94 N -5.37 0.00 -0.04 1.05 -2.24 -1.26 -1.35 114.28 105.07 1zdx n THR 94 Ca -0.06 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.65 1zdx n THR 94 Cb 0.28 -0.59 -0.03 0.00 -2.10 0.00 0.00 70.33 67.90 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 -0.97 0.41 0.79 4.28 -1.04 -0.96 -4.69 114.28 112.11 1zdx n THR 95 Ca 0.17 -0.10 0.12 0.00 -2.04 0.00 0.00 64.05 62.20 1zdx n THR 95 Cb 0.08 -1.59 0.50 0.00 -1.82 0.00 0.00 70.33 67.51 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 -3.32 0.03 -3.95 -2.82 0.00 0.27 -4.22 117.12 103.11 1zdx n MET 96 Ca -0.15 0.11 -0.30 0.00 -0.00 0.00 0.00 57.70 57.36 1zdx n MET 96 Cb 0.60 -1.54 -0.16 0.00 0.00 0.00 0.00 33.22 32.13 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 -3.02 1.51 0.88 1.12 1.01 -0.46 -5.02 120.40 116.42 1zdx s VAL 97 Ca 0.11 -1.10 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 1zdx s VAL 97 Cb 0.15 -1.72 0.12 0.00 0.00 0.00 0.00 36.38 34.93 1zdx s VAL 97 CO 0.45 -0.01 1.09 -1.58 0.00 0.00 0.00 175.10 175.05 1zdx s GLN 98 N 1.42 1.37 0.00 2.72 0.74 -1.26 -3.79 119.66 120.86 1zdx s GLN 98 Ca -0.04 0.83 0.00 0.00 0.05 0.00 0.00 55.36 56.20 1zdx s GLN 98 Cb -0.18 -1.82 0.00 0.00 1.10 0.00 0.00 33.01 32.11 1zdx s GLN 98 CO -0.07 -2.17 0.00 -3.47 -0.55 0.00 0.00 175.29 169.04 1zdx n ASP 99 N -3.83 0.00 -4.74 6.67 4.64 -1.26 -4.57 116.55 113.46 1zdx n ASP 99 Ca 0.07 0.00 -0.35 0.00 -1.38 0.00 0.00 54.79 53.13 1zdx n ASP 99 Cb 0.55 0.00 0.06 0.00 -1.04 0.00 0.00 41.12 40.69 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 0.00 2.34 0.09 -1.67 0.00 -1.25 -4.87 121.76 116.40 1zdx s ALA 100 Ca 0.00 0.87 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 1zdx s ALA 100 Cb 0.00 -3.44 0.01 0.00 0.00 0.00 0.00 23.12 19.70 1zdx s ALA 100 CO 0.00 -1.51 0.28 0.95 0.00 0.00 0.00 175.76 175.48 1zdx s THR 101 N -1.90 0.11 -0.37 0.00 -4.23 -1.09 -4.71 115.64 103.45 1zdx s THR 101 Ca 0.74 -0.89 0.13 0.00 -1.18 0.00 0.00 61.69 60.50 1zdx s THR 101 Cb -0.28 -1.20 0.38 0.00 1.34 0.00 0.00 72.50 72.74 1zdx s THR 101 CO 0.40 -0.49 0.81 0.00 -0.54 0.00 0.00 174.62 174.80 1zdx n ALA 102 N 0.03 2.62 -2.14 3.99 0.00 -1.25 -2.44 120.51 121.33 1zdx n ALA 102 Ca -0.16 -3.43 -0.43 0.00 0.00 0.00 0.00 53.44 49.43 1zdx n ALA 102 Cb 0.62 -0.91 -0.03 0.00 0.00 0.00 0.00 19.45 19.14 1zdx n ALA 102 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1zdx s HIS 103 N -2.71 2.17 -0.35 0.00 5.04 -0.79 -4.74 115.29 113.91 1zdx s HIS 103 Ca 0.37 0.54 -0.25 0.00 -1.54 0.00 0.00 55.06 54.18 1zdx s HIS 103 Cb 0.38 -3.93 0.01 0.00 0.04 0.00 0.00 32.58 29.08 1zdx s HIS 103 CO -0.05 -2.92 0.90 -1.17 -2.34 0.00 0.00 174.74 169.16 1zdx s LEU 104 N 4.85 4.02 -0.84 8.88 2.96 -1.26 -0.43 118.68 136.86 1zdx s LEU 104 Ca 0.70 0.64 -0.21 0.00 -0.22 0.00 0.00 54.13 55.04 1zdx s LEU 104 Cb -0.26 -3.24 0.10 0.00 0.50 0.00 0.00 46.19 43.29 1zdx s LEU 104 CO 0.28 -0.80 1.11 -0.62 -1.32 0.00 0.00 176.35 175.00 1zdx s ASP 105 N 1.79 6.44 0.28 3.68 3.68 0.31 -4.89 116.67 127.96 1zdx s ASP 105 Ca 0.37 -1.56 0.25 0.00 2.13 0.00 0.00 52.55 53.74 1zdx s ASP 105 Cb -0.13 -2.43 0.99 0.00 -1.45 0.00 0.00 42.92 39.90 1zdx s ASP 105 CO 0.17 -1.27 1.75 0.58 0.13 0.00 0.00 175.17 176.52 1zdx h VAL 106 N 6.00 0.00 0.46 1.11 2.07 -1.95 0.51 116.25 124.45 1zdx h VAL 106 Ca -0.01 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1zdx h VAL 106 Cb 1.04 1.10 0.00 0.00 -1.52 0.00 0.00 31.29 31.91 1zdx h VAL 106 CO 1.18 0.00 -0.22 1.23 0.02 0.00 0.00 177.57 179.78 1zdx h GLY 107 N 2.57 -0.64 0.84 2.17 0.00 -1.94 -3.32 103.07 102.75 1zdx h GLY 107 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.57 1zdx h GLY 107 CO 0.00 -0.23 -0.62 -0.18 0.00 0.00 0.00 176.54 175.50 1zdx n GLN 108 N -5.24 0.05 -3.53 4.80 -0.06 -1.23 -4.96 117.38 107.20 1zdx n GLN 108 Ca -0.10 0.01 -0.20 0.00 -2.00 0.00 0.00 57.00 54.70 1zdx n GLN 108 Cb 0.30 -1.52 0.06 0.00 -4.06 0.00 0.00 30.24 25.02 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 -1.59 -4.72 -4.98 3.69 6.02 0.04 -4.94 117.38 110.91 1zdx n GLN 109 Ca 0.05 0.72 -0.32 0.00 -0.01 0.00 0.00 57.00 57.44 1zdx n GLN 109 Cb 0.35 -5.43 -0.14 0.00 1.02 0.00 0.00 30.24 26.04 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 -5.50 2.47 -0.58 -1.09 3.52 -0.42 -1.17 118.95 116.18 1zdx s ARG 110 Ca 0.12 -0.75 -0.07 0.00 -0.13 0.00 0.00 55.73 54.90 1zdx s ARG 110 Cb -0.02 -2.32 0.15 0.00 -1.56 0.00 0.00 34.95 31.20 1zdx s ARG 110 CO 0.78 0.58 0.43 -1.17 -0.81 0.00 0.00 175.30 175.11 1zdx s LEU 111 N -0.64 5.66 -0.88 -0.88 2.96 0.51 -0.53 118.68 124.89 1zdx s LEU 111 Ca 0.10 -2.39 -0.25 0.00 -0.22 0.00 0.00 54.13 51.37 1zdx s LEU 111 Cb -0.11 -1.97 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 1zdx s LEU 111 CO 0.01 -0.54 1.75 0.20 -1.32 0.00 0.00 176.35 176.45 1zdx s ASN 112 N 1.78 5.59 -0.13 3.68 -0.87 0.42 -0.82 114.94 124.58 1zdx s ASN 112 Ca 0.12 -0.71 -0.04 0.00 -1.57 0.00 0.00 52.86 50.66 1zdx s ASN 112 Cb -0.21 -2.56 -0.03 0.00 -0.02 0.00 0.00 41.25 38.43 1zdx s ASN 112 CO -0.03 -2.30 0.01 -0.22 -2.57 0.00 0.00 177.10 171.99 1zdx s LEU 113 N 8.27 3.57 0.03 0.60 1.98 0.02 -1.89 118.68 131.25 1zdx s LEU 113 Ca 0.61 0.05 0.02 0.00 -2.89 0.00 0.00 54.13 51.92 1zdx s LEU 113 Cb -0.06 -1.85 -0.02 0.00 0.66 0.00 0.00 46.19 44.92 1zdx s LEU 113 CO 0.01 0.26 -0.07 -0.89 -1.89 0.00 0.00 176.35 173.77 1zdx s THR 114 N -0.16 0.48 -0.08 3.68 2.01 -1.02 -0.96 115.64 119.58 1zdx s THR 114 Ca 0.05 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.18 1zdx s THR 114 Cb -0.12 -0.51 0.04 0.00 0.01 0.00 0.00 72.50 71.91 1zdx s THR 114 CO 0.02 -0.24 0.20 -0.63 -0.69 0.00 0.00 174.62 173.28 1zdx s ILE 115 N -1.01 -0.03 0.29 1.82 1.01 -1.26 -2.65 121.20 119.36 1zdx s ILE 115 Ca -0.07 0.11 -0.29 0.00 0.00 0.00 0.00 60.65 60.40 1zdx s ILE 115 Cb -0.08 -0.31 -0.10 0.00 0.01 0.00 0.00 42.46 41.98 1zdx s ILE 115 CO 0.00 0.05 1.43 -2.16 0.00 0.00 0.00 174.94 174.25 1zdx s PRO 116 N 0.89 4.25 0.57 2.79 0.04 -1.26 -4.90 135.00 137.37 1zdx s PRO 116 Ca -0.06 2.35 0.37 0.00 0.04 0.00 0.00 61.00 63.69 1zdx s PRO 116 Cb -0.08 -3.07 1.99 0.00 0.04 0.00 0.00 34.50 33.38 1zdx s PRO 116 CO -0.05 -0.40 2.12 1.96 0.04 0.00 0.00 177.00 180.67 1zdx h GLN 117 N 4.30 0.00 -0.54 4.56 1.08 -1.99 0.10 115.11 122.61 1zdx h GLN 117 Ca -0.48 0.00 0.12 0.00 -1.45 0.00 0.00 58.65 56.85 1zdx h GLN 117 Cb 1.22 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.62 1zdx h GLN 117 CO 0.73 0.00 0.38 0.00 -0.95 0.00 0.00 178.83 178.98 1zdx h ALA 118 N 1.91 2.25 -0.94 3.87 0.00 -2.03 -0.97 119.26 123.36 1zdx h ALA 118 Ca 0.00 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.30 1zdx h ALA 118 Cb 0.08 -0.02 -0.30 0.00 0.00 0.00 0.00 17.79 17.56 1zdx h ALA 118 CO 0.00 -0.39 0.61 1.19 0.00 0.00 0.00 179.25 180.66 1zdx n PHE 119 N -4.44 3.03 -4.37 0.00 3.01 0.02 -4.84 117.46 109.87 1zdx n PHE 119 Ca 0.09 -2.59 -0.19 0.00 1.01 0.00 0.00 57.45 55.77 1zdx n PHE 119 Cb 0.48 -1.18 -0.10 0.00 -0.01 0.00 0.00 39.48 38.67 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 -3.65 1.48 -0.93 -1.08 -1.94 -0.37 -1.74 119.30 111.07 1zdx s MET 120 Ca 0.61 -1.79 -0.01 0.00 -1.71 0.00 0.00 55.69 52.79 1zdx s MET 120 Cb 0.49 -0.63 0.28 0.00 2.01 0.00 0.00 34.83 36.97 1zdx s MET 120 CO 0.02 -0.18 1.15 0.45 -0.01 0.00 0.00 175.02 176.46 1zdx n SER 121 N -0.53 5.30 0.00 3.03 2.88 -1.23 -4.59 113.62 118.48 1zdx n SER 121 Ca -0.03 -3.36 0.00 0.00 -1.33 0.00 0.00 58.87 54.15 1zdx n SER 121 Cb 0.65 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 1zdx n SER 121 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1zdx n ASN 122 N 1.40 0.00 0.00 -3.46 3.02 -1.26 -4.66 115.26 110.30 1zdx n ASN 122 Ca 0.26 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1zdx n ASN 122 Cb 0.36 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.83 1zdx n ASN 122 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1zdx n ARG 123 N -1.95 0.00 -1.71 3.52 1.74 -1.26 -5.07 116.66 111.92 1zdx n ARG 123 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 1zdx n ARG 123 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 1zdx n ARG 123 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1zdx n ALA 124 N -1.78 2.31 -0.56 7.54 0.00 -1.26 -4.99 120.51 121.77 1zdx n ALA 124 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1zdx n ALA 124 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.00 1zdx n ALA 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04