#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 0.45 0.00 1.61 2.00 -1.26 -3.79 119.66 118.66 1zdx s GLN 26 Ca 0.00 0.91 0.00 0.00 -2.00 0.00 0.00 55.36 54.27 1zdx s GLN 26 Cb 0.00 0.52 0.00 0.00 0.80 0.00 0.00 33.01 34.33 1zdx s GLN 26 CO 0.00 -0.37 0.65 -0.85 -0.50 0.00 0.00 175.29 174.22 1zdx n GLU 27 N 5.38 0.00 -3.41 1.67 0.28 -0.08 -4.89 120.64 119.58 1zdx n GLU 27 Ca -0.06 -0.64 0.01 0.00 -0.16 0.00 0.00 57.16 56.32 1zdx n GLU 27 Cb 0.51 -0.47 -0.03 0.00 1.43 0.00 0.00 31.44 32.89 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 -1.27 0.44 -1.84 2.96 -0.67 -5.02 118.68 113.28 1zdx s LEU 28 Ca 0.00 1.24 -0.21 0.00 -0.22 0.00 0.00 54.13 54.94 1zdx s LEU 28 Cb 0.00 2.24 -0.10 0.00 0.50 0.00 0.00 46.19 48.83 1zdx s LEU 28 CO 0.00 -0.24 0.98 -2.16 -1.32 0.00 0.00 176.35 173.61 1zdx s PRO 29 N 2.88 4.10 1.14 0.98 0.04 -1.26 -4.56 135.00 138.33 1zdx s PRO 29 Ca 0.07 1.22 -0.14 0.00 0.04 0.00 0.00 61.00 62.20 1zdx s PRO 29 Cb -0.13 -2.20 0.27 0.00 0.04 0.00 0.00 34.50 32.48 1zdx s PRO 29 CO -0.20 -0.15 1.04 -1.25 0.04 0.00 0.00 177.00 176.48 1zdx s PRO 30 N -3.12 -0.75 0.00 0.56 0.04 -1.26 -4.98 135.00 125.49 1zdx s PRO 30 Ca 0.63 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1zdx s PRO 30 Cb -0.12 -1.59 0.00 0.00 0.04 0.00 0.00 34.50 32.83 1zdx s PRO 30 CO 0.16 -3.55 0.00 0.41 0.04 0.00 0.00 177.00 174.06 1zdx n GLY 31 N 0.17 -0.49 3.02 0.56 0.00 -0.96 -5.03 105.19 102.46 1zdx n GLY 31 Ca 0.04 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.01 0.04 2.61 -1.32 -1.26 -1.63 115.64 110.07 1zdx s THR 32 Ca 0.00 0.02 0.06 0.00 -1.21 0.00 0.00 61.69 60.56 1zdx s THR 32 Cb 0.00 -0.22 -0.02 0.00 -1.51 0.00 0.00 72.50 70.75 1zdx s THR 32 CO 0.00 0.01 -0.17 -0.72 -2.21 0.00 0.00 174.62 171.52 1zdx s TYR 33 N 0.20 1.52 -0.29 9.09 -0.85 -1.05 -4.89 117.35 121.08 1zdx s TYR 33 Ca -0.01 -0.36 -0.11 0.00 -0.52 0.00 0.00 57.07 56.07 1zdx s TYR 33 Cb -0.02 -0.91 -0.04 0.00 0.38 0.00 0.00 41.96 41.38 1zdx s TYR 33 CO -0.01 0.06 0.18 0.50 -1.52 0.00 0.00 175.55 174.77 1zdx s ARG 34 N -1.12 3.76 0.35 -3.49 3.00 -1.26 -0.67 118.95 119.52 1zdx s ARG 34 Ca 0.05 -0.44 -0.15 0.00 -1.00 0.00 0.00 55.73 54.18 1zdx s ARG 34 Cb -0.08 -3.64 0.04 0.00 0.00 0.00 0.00 34.95 31.27 1zdx s ARG 34 CO 0.01 -0.26 0.73 0.14 0.00 0.00 0.00 175.30 175.93 1zdx s VAL 35 N 1.72 0.00 -0.21 7.11 -7.23 -0.47 -4.88 120.40 116.44 1zdx s VAL 35 Ca 0.07 -1.08 -0.07 0.00 -1.81 0.00 0.00 61.98 59.08 1zdx s VAL 35 Cb -0.16 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.10 1zdx s VAL 35 CO 0.09 0.00 0.06 -1.81 -0.31 0.00 0.00 175.10 173.13 1zdx s ASP 36 N -3.06 5.31 -0.59 4.85 1.01 0.05 -1.65 116.67 122.59 1zdx s ASP 36 Ca 0.16 -0.08 -0.28 0.00 0.71 0.00 0.00 52.55 53.06 1zdx s ASP 36 Cb -0.05 -1.93 0.03 0.00 1.01 0.00 0.00 42.92 41.98 1zdx s ASP 36 CO 0.11 0.07 1.22 -0.63 0.21 0.00 0.00 175.17 176.15 1zdx s ILE 37 N 1.01 3.97 -0.56 0.77 1.01 0.44 -0.24 121.20 127.60 1zdx s ILE 37 Ca 0.04 0.85 -0.08 0.00 0.00 0.00 0.00 60.65 61.45 1zdx s ILE 37 Cb -0.14 -4.71 0.15 0.00 0.01 0.00 0.00 42.46 37.76 1zdx s ILE 37 CO 0.03 -1.37 0.43 -0.31 0.00 0.00 0.00 174.94 173.72 1zdx s TYR 38 N 5.13 3.48 0.12 3.97 1.51 0.08 -0.80 117.35 130.84 1zdx s TYR 38 Ca 0.43 -2.10 -0.28 0.00 -1.01 0.00 0.00 57.07 54.11 1zdx s TYR 38 Cb -0.08 -3.48 -0.06 0.00 -0.11 0.00 0.00 41.96 38.23 1zdx s TYR 38 CO 0.25 -0.96 0.89 -1.17 -1.11 0.00 0.00 175.55 173.45 1zdx s LEU 39 N 0.83 4.52 -1.52 -1.29 2.96 0.42 -0.01 118.68 124.58 1zdx s LEU 39 Ca 0.10 1.72 -0.07 0.00 -0.22 0.00 0.00 54.13 55.66 1zdx s LEU 39 Cb -0.22 -3.47 0.06 0.00 0.50 0.00 0.00 46.19 43.05 1zdx s LEU 39 CO -0.03 0.02 0.57 0.59 -1.32 0.00 0.00 176.35 176.19 1zdx n ASN 40 N 2.44 -1.61 -0.52 3.68 3.02 -0.55 -0.76 115.26 120.97 1zdx n ASN 40 Ca -0.00 -1.00 -0.07 0.00 -0.03 0.00 0.00 54.58 53.48 1zdx n ASN 40 Cb 0.49 -2.97 -0.03 0.00 -0.61 0.00 0.00 39.78 36.66 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 -2.86 -4.14 -3.88 6.41 3.02 -1.26 -5.01 115.26 107.54 1zdx n ASN 41 Ca -0.16 0.17 -0.11 0.00 -0.03 0.00 0.00 54.58 54.45 1zdx n ASN 41 Cb 0.61 -2.23 -0.12 0.00 -0.61 0.00 0.00 39.78 37.43 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 -2.68 0.04 0.30 7.41 0.00 0.06 -5.09 107.32 107.36 1zdx s GLY 42 Ca 0.00 -0.05 -0.29 0.00 0.00 0.00 0.00 44.72 44.37 1zdx s GLY 42 CO 0.00 -0.12 1.18 -0.47 0.00 0.00 0.00 173.10 173.69 1zdx s TYR 43 N -0.66 3.38 0.00 1.90 6.14 -1.26 -0.44 117.35 126.40 1zdx s TYR 43 Ca -0.07 1.59 0.00 0.00 0.64 0.00 0.00 57.07 59.23 1zdx s TYR 43 Cb -0.05 -3.43 0.00 0.00 0.42 0.00 0.00 41.96 38.90 1zdx s TYR 43 CO 0.00 -1.04 0.00 -1.33 0.64 0.00 0.00 175.55 173.82 1zdx n MET 44 N 1.03 2.14 -3.61 4.97 2.81 0.02 -4.86 117.12 119.61 1zdx n MET 44 Ca -0.01 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.86 1zdx n MET 44 Cb 0.44 -0.90 -0.02 0.00 -0.71 0.00 0.00 33.22 32.03 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 -1.69 -2.18 -0.09 3.04 0.00 -1.24 -4.82 121.76 114.78 1zdx s ALA 45 Ca 0.00 1.50 -0.01 0.00 0.00 0.00 0.00 51.96 53.45 1zdx s ALA 45 Cb 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 23.12 23.05 1zdx s ALA 45 CO 0.00 -0.69 -0.03 0.99 0.00 0.00 0.00 175.76 176.03 1zdx s THR 46 N -2.26 0.64 0.22 0.00 2.01 -1.26 -0.42 115.64 114.57 1zdx s THR 46 Ca 0.11 -0.08 -0.21 0.00 0.31 0.00 0.00 61.69 61.82 1zdx s THR 46 Cb 0.01 -0.76 0.07 0.00 0.01 0.00 0.00 72.50 71.82 1zdx s THR 46 CO -0.04 0.28 0.97 0.00 -0.69 0.00 0.00 174.62 175.14 1zdx s ARG 47 N 1.86 1.49 0.38 4.92 1.70 -0.66 -4.98 118.95 123.66 1zdx s ARG 47 Ca 0.05 -0.94 -0.28 0.00 -0.47 0.00 0.00 55.73 54.09 1zdx s ARG 47 Cb -0.13 0.43 -0.10 0.00 -0.57 0.00 0.00 34.95 34.58 1zdx s ARG 47 CO -0.07 -0.70 1.44 0.16 -1.08 0.00 0.00 175.30 175.06 1zdx s ASP 48 N -3.25 6.34 -0.32 -2.89 1.47 -1.26 -1.36 116.67 115.39 1zdx s ASP 48 Ca 0.19 2.96 -0.01 0.00 1.18 0.00 0.00 52.55 56.86 1zdx s ASP 48 Cb -0.03 -2.66 0.10 0.00 -0.34 0.00 0.00 42.92 39.99 1zdx s ASP 48 CO 0.06 -0.86 0.12 -0.69 0.68 0.00 0.00 175.17 174.48 1zdx s VAL 49 N -1.14 0.67 -0.66 2.11 1.01 0.16 -4.95 120.40 117.60 1zdx s VAL 49 Ca 0.54 -1.35 -0.26 0.00 0.00 0.00 0.00 61.98 60.90 1zdx s VAL 49 Cb -0.45 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1zdx s VAL 49 CO 0.60 -0.72 1.90 -0.89 0.00 0.00 0.00 175.10 175.99 1zdx s THR 50 N 1.61 3.35 0.44 3.92 2.01 -1.26 -2.53 115.64 123.19 1zdx s THR 50 Ca 0.11 0.10 -0.17 0.00 0.31 0.00 0.00 61.69 62.03 1zdx s THR 50 Cb -0.18 -3.90 -0.09 0.00 0.01 0.00 0.00 72.50 68.34 1zdx s THR 50 CO -0.25 -0.87 0.91 0.72 -0.69 0.00 0.00 174.62 174.44 1zdx s PHE 51 N 9.43 3.39 0.32 4.92 -0.71 -0.65 -0.67 117.98 134.02 1zdx s PHE 51 Ca 0.69 1.43 0.09 0.00 -1.04 0.00 0.00 56.93 58.09 1zdx s PHE 51 Cb -0.12 -2.73 -0.06 0.00 -1.21 0.00 0.00 43.02 38.90 1zdx s PHE 51 CO 0.17 -0.18 -0.09 0.54 -1.34 0.00 0.00 175.22 174.33 1zdx s ASN 52 N -2.66 3.36 0.67 1.98 2.20 0.14 -2.28 114.94 118.36 1zdx s ASN 52 Ca 0.58 -1.19 -0.16 0.00 -0.94 0.00 0.00 52.86 51.15 1zdx s ASN 52 Cb -0.10 -0.28 0.01 0.00 -2.00 0.00 0.00 41.25 38.88 1zdx s ASN 52 CO 0.23 -0.24 1.20 -0.89 -2.94 0.00 0.00 177.10 174.45 1zdx s THR 53 N -2.76 2.55 0.00 0.54 2.01 -1.26 -0.31 115.64 116.42 1zdx s THR 53 Ca 0.31 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.61 1zdx s THR 53 Cb 0.03 -2.94 0.00 0.00 0.01 0.00 0.00 72.50 69.59 1zdx s THR 53 CO 0.15 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 1zdx n GLY 54 N 0.31 0.40 2.24 4.40 0.00 0.04 -4.51 105.19 108.07 1zdx n GLY 54 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -5.27 0.00 1.61 2.03 -0.31 -4.94 116.55 109.67 1zdx n ASP 55 Ca 0.00 0.88 0.00 0.00 0.52 0.00 0.00 54.79 56.19 1zdx n ASP 55 Cb 0.00 -3.67 0.00 0.00 -0.72 0.00 0.00 41.12 36.73 1zdx n ASP 55 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1zdx n SER 56 N 0.49 0.00 0.04 1.67 7.64 -1.26 -4.93 113.62 117.28 1zdx n SER 56 Ca -0.02 0.00 -0.06 0.00 1.01 0.00 0.00 58.87 59.79 1zdx n SER 56 Cb 0.04 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.28 -0.00 1.43 4.39 -1.89 -3.14 114.58 115.09 1zdx h GLU 57 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1zdx h GLU 57 Cb 0.00 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1zdx h GLU 57 CO 0.00 -0.18 -0.19 1.04 -1.16 0.00 0.00 179.01 178.52 1zdx n GLN 58 N -3.64 0.25 -0.01 2.33 3.00 -1.26 -4.41 117.38 113.64 1zdx n GLN 58 Ca -0.03 -0.09 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 1zdx n GLN 58 Cb 0.16 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.90 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 1.42 0.30 3.26 1.08 0.00 -1.19 -0.90 105.19 109.16 1zdx n GLY 59 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.10 1.56 0.03 -0.61 -4.36 -1.26 -0.78 121.20 113.69 1zdx s ILE 60 Ca 0.00 -1.53 0.04 0.00 -0.26 0.00 0.00 60.65 58.90 1zdx s ILE 60 Cb 0.00 -1.47 -0.02 0.00 1.25 0.00 0.00 42.46 42.22 1zdx s ILE 60 CO 0.00 -0.14 -0.13 0.68 0.24 0.00 0.00 174.94 175.59 1zdx s VAL 61 N -1.32 1.04 0.70 8.37 -7.23 0.58 -4.72 120.40 117.81 1zdx s VAL 61 Ca 0.05 -0.93 -0.15 0.00 -1.81 0.00 0.00 61.98 59.14 1zdx s VAL 61 Cb -0.09 -0.94 0.02 0.00 0.56 0.00 0.00 36.38 35.93 1zdx s VAL 61 CO 0.04 0.01 1.15 -2.16 -0.31 0.00 0.00 175.10 173.82 1zdx s PRO 62 N -1.05 2.49 0.02 4.82 0.04 -1.26 -0.68 135.00 139.37 1zdx s PRO 62 Ca 0.01 1.52 -0.30 0.00 0.04 0.00 0.00 61.00 62.27 1zdx s PRO 62 Cb -0.07 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 1zdx s PRO 62 CO 0.01 -1.52 1.39 0.00 0.04 0.00 0.00 177.00 176.92 1zdx s LEU 64 N 2.13 1.31 0.43 0.00 1.02 -1.26 -4.69 118.68 117.63 1zdx s LEU 64 Ca 0.64 -0.13 0.07 0.00 0.02 0.00 0.00 54.13 54.73 1zdx s LEU 64 Cb -0.32 -0.45 -0.03 0.00 0.02 0.00 0.00 46.19 45.41 1zdx s LEU 64 CO 0.27 -0.06 0.29 0.42 0.02 0.00 0.00 176.35 177.29 1zdx s THR 65 N 0.94 2.36 0.23 5.49 -4.23 -1.25 -0.77 115.64 118.42 1zdx s THR 65 Ca -0.11 -1.53 -0.06 0.00 -1.18 0.00 0.00 61.69 58.82 1zdx s THR 65 Cb -0.14 -2.89 0.19 0.00 1.34 0.00 0.00 72.50 71.00 1zdx s THR 65 CO -0.00 0.00 1.81 -0.09 -0.54 0.00 0.00 174.62 175.80 1zdx h ARG 66 N 1.18 0.74 0.27 3.99 2.43 -1.70 -1.29 114.38 120.00 1zdx h ARG 66 Ca -0.41 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1zdx h ARG 66 Cb 1.26 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 1zdx h ARG 66 CO 0.63 0.49 -0.13 0.00 -1.51 0.00 0.00 179.97 179.45 1zdx h ALA 67 N 1.42 -0.36 -0.72 2.80 0.00 -1.84 -0.14 119.26 120.41 1zdx h ALA 67 Ca 0.37 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1zdx h ALA 67 Cb 0.30 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 1zdx h ALA 67 CO -0.23 -0.66 0.47 1.96 0.00 0.00 0.00 179.25 180.80 1zdx h GLN 68 N -0.45 0.89 0.05 0.00 1.08 -1.74 0.21 115.11 115.16 1zdx h GLN 68 Ca -0.04 -0.05 -0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1zdx h GLN 68 Cb 0.34 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1zdx h GLN 68 CO 0.06 0.59 -0.03 -0.07 -0.95 0.00 0.00 178.83 178.44 1zdx h LEU 69 N 0.92 -0.06 -2.43 1.46 3.38 -1.17 -2.76 115.31 114.64 1zdx h LEU 69 Ca 0.28 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 57.69 1zdx h LEU 69 Cb -0.02 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1zdx h LEU 69 CO -0.07 0.59 0.08 0.00 0.09 0.00 0.00 178.44 179.13 1zdx h ALA 70 N 0.07 1.56 0.31 1.53 0.00 -0.74 -1.78 119.26 120.20 1zdx h ALA 70 Ca -0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1zdx h ALA 70 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1zdx h ALA 70 CO 0.01 -0.11 -0.15 1.03 0.00 0.00 0.00 179.25 180.04 1zdx h SER 71 N 0.00 -0.35 0.00 0.00 0.87 -0.46 -2.17 113.55 111.44 1zdx h SER 71 Ca 0.03 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1zdx h SER 71 Cb 0.18 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1zdx h SER 71 CO -0.00 -0.05 0.00 1.15 -0.53 0.00 0.00 176.83 177.40 1zdx n MET 72 N -5.16 0.41 -0.95 2.24 0.00 -0.83 -3.79 117.12 109.03 1zdx n MET 72 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.60 1zdx n MET 72 Cb 0.25 -1.00 0.00 0.00 0.00 0.00 0.00 33.22 32.47 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 -0.09 0.47 3.76 3.17 0.00 -0.82 -4.61 105.19 107.06 1zdx n GLY 73 Ca 0.00 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.10 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 4.37 -0.65 0.99 1.98 -0.73 -1.36 118.68 123.28 1zdx s LEU 74 Ca 0.00 2.80 -0.19 0.00 -2.89 0.00 0.00 54.13 53.86 1zdx s LEU 74 Cb 0.00 -3.64 0.12 0.00 0.66 0.00 0.00 46.19 43.33 1zdx s LEU 74 CO 0.00 -0.76 0.75 0.21 -1.89 0.00 0.00 176.35 174.67 1zdx s ASN 75 N 0.19 6.27 0.40 3.68 2.47 -0.64 -4.26 114.94 123.06 1zdx s ASN 75 Ca 0.58 -1.59 0.18 0.00 0.42 0.00 0.00 52.86 52.44 1zdx s ASN 75 Cb -0.44 -2.31 1.08 0.00 -1.45 0.00 0.00 41.25 38.13 1zdx s ASN 75 CO 0.49 -1.07 1.80 0.71 -3.72 0.00 0.00 177.10 175.31 1zdx h THR 76 N 5.82 0.60 0.00 -5.21 1.35 -1.93 -2.37 112.91 111.16 1zdx h THR 76 Ca -0.22 -0.14 -0.03 0.00 -0.55 0.00 0.00 66.41 65.47 1zdx h THR 76 Cb 1.08 0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1zdx h THR 76 CO 1.07 0.08 -0.14 0.00 -0.25 0.00 0.00 175.52 176.28 1zdx h ALA 77 N 1.61 1.08 0.00 6.62 0.00 -1.98 -1.75 119.26 124.84 1zdx h ALA 77 Ca 0.55 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.29 1zdx h ALA 77 Cb 1.35 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1zdx h ALA 77 CO -0.25 0.18 -0.17 0.77 0.00 0.00 0.00 179.25 179.77 1zdx h SER 78 N 0.00 0.00 -3.60 0.00 0.02 -1.79 -3.42 113.55 104.76 1zdx h SER 78 Ca -0.00 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 60.33 1zdx h SER 78 Cb 0.56 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.97 1zdx h SER 78 CO 0.02 0.17 -0.10 -0.69 -1.14 0.00 0.00 176.83 175.09 1zdx s VAL 79 N -4.53 5.12 -0.65 2.27 1.01 -0.66 -5.01 120.40 117.95 1zdx s VAL 79 Ca -0.04 0.78 -0.26 0.00 0.00 0.00 0.00 61.98 62.46 1zdx s VAL 79 Cb 0.15 -3.78 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1zdx s VAL 79 CO 0.67 0.13 1.84 0.00 0.00 0.00 0.00 175.10 177.75 1zdx s ALA 80 N 2.07 2.15 0.00 5.51 0.00 -1.26 -3.39 121.76 126.84 1zdx s ALA 80 Ca 0.19 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1zdx s ALA 80 Cb -0.16 -4.33 0.00 0.00 0.00 0.00 0.00 23.12 18.64 1zdx s ALA 80 CO 0.09 -3.96 0.00 0.41 0.00 0.00 0.00 175.76 172.30 1zdx n GLY 81 N 5.80 0.61 0.00 0.00 0.00 -1.26 -5.07 105.19 105.27 1zdx n GLY 81 Ca 0.22 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.82 0.00 1.61 0.00 -1.22 -4.74 117.12 113.59 1zdx n MET 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1zdx n MET 82 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 33.22 32.23 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 -2.37 0.23 0.00 6.12 0.23 -1.26 -2.35 115.26 115.85 1zdx n ASN 83 Ca 0.00 -0.60 0.00 0.00 -0.53 0.00 0.00 54.58 53.45 1zdx n ASN 83 Cb 0.49 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.07 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 0.15 0.00 -4.85 -4.53 -0.00 -1.26 -5.07 117.00 101.44 1zdx n LEU 84 Ca 0.00 -0.22 -0.32 0.00 -0.00 0.00 0.00 56.01 55.47 1zdx n LEU 84 Cb 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.43 1zdx n LEU 84 CO 0.00 0.00 0.54 -0.76 -0.00 0.00 0.00 177.39 177.17 1zdx s LEU 85 N -1.16 3.83 0.84 1.47 1.43 -0.99 -5.05 118.68 119.05 1zdx s LEU 85 Ca 0.00 1.37 -0.11 0.00 -1.03 0.00 0.00 54.13 54.36 1zdx s LEU 85 Cb 0.00 -4.25 0.10 0.00 0.03 0.00 0.00 46.19 42.07 1zdx s LEU 85 CO 0.00 -0.41 1.14 0.00 0.23 0.00 0.00 176.35 177.31 1zdx s ALA 86 N -2.34 1.82 -1.48 4.21 0.00 -1.26 -4.80 121.76 117.91 1zdx s ALA 86 Ca 0.56 0.55 0.20 0.00 0.00 0.00 0.00 51.96 53.27 1zdx s ALA 86 Cb -0.10 -3.40 1.05 0.00 0.00 0.00 0.00 23.12 20.67 1zdx s ALA 86 CO 0.26 -2.30 1.64 -0.25 0.00 0.00 0.00 175.76 175.11 1zdx n ASP 87 N -3.74 0.00 -3.10 0.00 10.43 -1.26 -3.02 116.55 115.86 1zdx n ASP 87 Ca 0.11 -0.07 -0.20 0.00 2.57 0.00 0.00 54.79 57.20 1zdx n ASP 87 Cb 0.52 -0.26 -0.04 0.00 1.84 0.00 0.00 41.12 43.18 1zdx n ASP 87 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 1zdx n ASP 88 N -1.26 -0.42 -4.11 -2.24 8.00 -1.26 -3.83 116.55 111.43 1zdx n ASP 88 Ca 0.10 -2.85 -0.13 0.00 0.71 0.00 0.00 54.79 52.62 1zdx n ASP 88 Cb 0.15 -0.12 -0.11 0.00 -0.02 0.00 0.00 41.12 41.03 1zdx n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1zdx s ALA 89 N -0.88 0.76 -0.56 2.24 0.00 -1.18 -5.06 121.76 117.08 1zdx s ALA 89 Ca 0.35 -0.96 -0.27 0.00 0.00 0.00 0.00 51.96 51.08 1zdx s ALA 89 Cb 0.20 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.34 1zdx s ALA 89 CO -0.13 -0.06 1.99 0.00 0.00 0.00 0.00 175.76 177.56 1zdx s VAL 91 N 9.66 4.30 -1.53 0.00 1.01 0.05 -4.95 120.40 128.95 1zdx s VAL 91 Ca 0.76 1.82 -0.12 0.00 0.00 0.00 0.00 61.98 64.44 1zdx s VAL 91 Cb -0.15 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1zdx s VAL 91 CO 0.23 0.23 2.65 -0.81 0.00 0.00 0.00 175.10 177.41 1zdx n PRO 92 N 3.11 3.30 -0.14 2.72 -0.04 -1.26 -4.49 135.00 138.20 1zdx n PRO 92 Ca 0.04 -2.31 -0.06 0.00 -0.04 0.00 0.00 63.50 61.13 1zdx n PRO 92 Cb 0.48 -2.97 0.01 0.00 -0.04 0.00 0.00 33.50 30.98 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 8.27 -0.92 -0.11 1.53 5.85 -1.93 -0.76 115.31 127.25 1zdx h LEU 93 Ca 0.75 0.19 0.00 0.00 0.84 0.00 0.00 57.88 59.65 1zdx h LEU 93 Cb 0.41 0.46 0.00 0.00 0.37 0.00 0.00 40.66 41.91 1zdx h LEU 93 CO 1.82 -0.28 0.00 0.35 -0.34 0.00 0.00 178.44 179.99 1zdx n THR 94 N -5.41 1.30 -0.06 1.05 -2.24 -1.26 -0.87 114.28 106.79 1zdx n THR 94 Ca 0.03 0.35 -0.13 0.00 -2.27 0.00 0.00 64.05 62.02 1zdx n THR 94 Cb 0.33 -1.20 -0.04 0.00 -2.10 0.00 0.00 70.33 67.32 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 -1.58 1.08 0.00 4.28 -1.04 -0.78 -4.70 114.28 111.54 1zdx n THR 95 Ca 0.02 -0.05 -0.12 0.00 -2.04 0.00 0.00 64.05 61.86 1zdx n THR 95 Cb 0.12 -1.84 -0.08 0.00 -1.82 0.00 0.00 70.33 66.71 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 -0.59 0.05 -5.89 -2.82 2.07 -1.05 -3.26 114.93 103.45 1zdx h MET 96 Ca -0.26 -0.01 -0.59 0.00 -2.07 0.00 0.00 59.70 56.77 1zdx h MET 96 Cb 1.07 -0.01 -0.11 0.00 -1.87 0.00 0.00 31.60 30.68 1zdx h MET 96 CO -0.16 0.27 0.78 0.08 1.07 0.00 0.00 176.91 178.95 1zdx s VAL 97 N -5.27 4.06 0.87 -2.22 1.01 -0.05 -4.97 120.40 113.84 1zdx s VAL 97 Ca -0.14 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 61.76 1zdx s VAL 97 Cb 0.04 -4.78 0.12 0.00 0.00 0.00 0.00 36.38 31.76 1zdx s VAL 97 CO 0.68 -1.61 1.16 -1.58 0.00 0.00 0.00 175.10 173.75 1zdx s GLN 98 N 4.80 1.29 0.00 2.72 0.74 -1.23 -2.77 119.66 125.21 1zdx s GLN 98 Ca 0.29 1.59 0.00 0.00 0.05 0.00 0.00 55.36 57.29 1zdx s GLN 98 Cb -0.13 -1.75 0.00 0.00 1.10 0.00 0.00 33.01 32.23 1zdx s GLN 98 CO 0.13 -2.44 0.00 -3.47 -0.55 0.00 0.00 175.29 168.96 1zdx n ASP 99 N -3.90 -0.28 -4.78 6.67 4.64 -1.26 -4.56 116.55 113.08 1zdx n ASP 99 Ca 0.12 0.00 -0.39 0.00 -1.38 0.00 0.00 54.79 53.14 1zdx n ASP 99 Cb 0.52 -2.34 -0.06 0.00 -1.04 0.00 0.00 41.12 38.19 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 -1.24 3.49 0.01 -1.67 0.00 -1.11 -4.25 121.76 116.99 1zdx s ALA 100 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 51.96 52.06 1zdx s ALA 100 Cb 0.00 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.29 1zdx s ALA 100 CO 0.00 0.28 0.21 0.95 0.00 0.00 0.00 175.76 177.20 1zdx s THR 101 N -0.87 0.08 -0.33 0.00 -4.23 -1.10 -4.50 115.64 104.69 1zdx s THR 101 Ca 0.33 -0.69 -0.01 0.00 -1.18 0.00 0.00 61.69 60.14 1zdx s THR 101 Cb -0.21 -0.67 0.12 0.00 1.34 0.00 0.00 72.50 73.08 1zdx s THR 101 CO 0.22 -0.38 0.17 0.00 -0.54 0.00 0.00 174.62 174.09 1zdx s ALA 102 N -1.81 1.01 -0.33 3.99 0.00 -1.26 -1.85 121.76 121.51 1zdx s ALA 102 Ca -0.11 -1.64 -0.11 0.00 0.00 0.00 0.00 51.96 50.10 1zdx s ALA 102 Cb -0.04 -1.56 -0.00 0.00 0.00 0.00 0.00 23.12 21.51 1zdx s ALA 102 CO 0.00 -1.90 0.19 -1.58 0.00 0.00 0.00 175.76 172.48 1zdx s HIS 103 N 1.42 3.20 -0.17 0.00 5.04 0.44 -4.80 115.29 120.42 1zdx s HIS 103 Ca 0.14 -0.52 -0.29 0.00 -1.54 0.00 0.00 55.06 52.85 1zdx s HIS 103 Cb -0.20 -2.41 -0.00 0.00 0.04 0.00 0.00 32.58 30.01 1zdx s HIS 103 CO -0.15 -0.46 1.05 -1.17 -2.34 0.00 0.00 174.74 171.67 1zdx s LEU 104 N 1.64 4.17 -0.68 8.88 2.96 -1.26 -0.18 118.68 134.21 1zdx s LEU 104 Ca 0.05 1.49 -0.11 0.00 -0.22 0.00 0.00 54.13 55.33 1zdx s LEU 104 Cb -0.17 -3.55 0.18 0.00 0.50 0.00 0.00 46.19 43.14 1zdx s LEU 104 CO 0.08 -0.58 0.59 -0.62 -1.32 0.00 0.00 176.35 174.49 1zdx s ASP 105 N 1.23 6.17 0.46 3.68 3.68 0.21 -4.95 116.67 127.15 1zdx s ASP 105 Ca 0.47 -2.46 0.13 0.00 2.13 0.00 0.00 52.55 52.82 1zdx s ASP 105 Cb -0.17 -2.10 1.06 0.00 -1.45 0.00 0.00 42.92 40.25 1zdx s ASP 105 CO 0.12 -0.59 2.06 0.58 0.13 0.00 0.00 175.17 177.47 1zdx h VAL 106 N 5.28 1.08 0.00 1.11 2.07 -1.94 0.17 116.25 124.02 1zdx h VAL 106 Ca -0.03 -0.29 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1zdx h VAL 106 Cb 1.04 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1zdx h VAL 106 CO 0.81 0.09 -0.21 1.23 0.02 0.00 0.00 177.57 179.51 1zdx h GLY 107 N 0.34 0.00 -0.51 2.17 0.00 -1.96 -2.59 103.07 100.52 1zdx h GLY 107 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1zdx h GLY 107 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.36 1zdx n GLN 108 N -3.80 0.66 -4.02 4.80 -0.06 -1.17 -5.00 117.38 108.78 1zdx n GLN 108 Ca -0.02 -1.10 -0.27 0.00 -2.00 0.00 0.00 57.00 53.61 1zdx n GLN 108 Cb 0.31 -1.12 -0.03 0.00 -4.06 0.00 0.00 30.24 25.34 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 0.23 -2.68 -3.86 3.69 6.02 0.04 -4.91 117.38 115.91 1zdx n GLN 109 Ca 0.04 0.34 -0.30 0.00 -0.01 0.00 0.00 57.00 57.07 1zdx n GLN 109 Cb 0.20 -4.28 -0.15 0.00 1.02 0.00 0.00 30.24 27.02 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 -6.72 1.16 -1.18 -1.09 3.52 0.39 -0.77 118.95 114.26 1zdx s ARG 110 Ca 0.03 -1.18 -0.20 0.00 -0.13 0.00 0.00 55.73 54.25 1zdx s ARG 110 Cb -0.01 -2.46 0.06 0.00 -1.56 0.00 0.00 34.95 30.99 1zdx s ARG 110 CO 0.91 -0.83 1.61 -1.17 -0.81 0.00 0.00 175.30 175.01 1zdx s LEU 111 N 1.41 3.70 0.08 -0.88 2.96 0.66 -0.62 118.68 126.00 1zdx s LEU 111 Ca 0.04 -2.02 -0.34 0.00 -0.22 0.00 0.00 54.13 51.60 1zdx s LEU 111 Cb -0.18 -2.57 -0.13 0.00 0.50 0.00 0.00 46.19 43.80 1zdx s LEU 111 CO -0.14 -1.32 1.67 0.59 -1.32 0.00 0.00 176.35 175.83 1zdx n ASN 112 N 8.60 3.19 -3.94 3.68 3.02 0.75 -0.74 115.26 129.81 1zdx n ASN 112 Ca 0.42 1.05 -0.12 0.00 -0.03 0.00 0.00 54.58 55.90 1zdx n ASN 112 Cb 0.48 -1.41 -0.13 0.00 -0.61 0.00 0.00 39.78 38.11 1zdx n ASN 112 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1zdx s LEU 113 N 1.89 2.10 0.06 3.41 2.96 0.98 -0.42 118.68 129.66 1zdx s LEU 113 Ca 0.83 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.56 1zdx s LEU 113 Cb -0.68 -0.05 -0.03 0.00 0.50 0.00 0.00 46.19 45.93 1zdx s LEU 113 CO 0.42 -0.10 -0.13 -0.89 -1.32 0.00 0.00 176.35 174.34 1zdx s THR 114 N -0.60 1.02 -0.02 3.68 2.01 -0.77 -1.48 115.64 119.48 1zdx s THR 114 Ca -0.05 -1.21 0.00 0.00 0.31 0.00 0.00 61.69 60.74 1zdx s THR 114 Cb -0.04 -0.98 0.02 0.00 0.01 0.00 0.00 72.50 71.50 1zdx s THR 114 CO -0.00 -0.21 0.01 -0.63 -0.69 0.00 0.00 174.62 173.10 1zdx s ILE 115 N -1.21 0.07 0.29 1.82 1.01 -1.26 -2.71 121.20 119.22 1zdx s ILE 115 Ca -0.03 0.09 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 1zdx s ILE 115 Cb -0.10 -0.15 -0.12 0.00 0.01 0.00 0.00 42.46 42.10 1zdx s ILE 115 CO 0.02 0.09 1.50 -0.81 0.00 0.00 0.00 174.94 175.74 1zdx n PRO 116 N 3.84 2.46 -0.27 2.79 -0.04 -1.26 -4.88 135.00 137.65 1zdx n PRO 116 Ca -0.23 0.87 0.32 0.00 -0.04 0.00 0.00 63.50 64.42 1zdx n PRO 116 Cb 0.53 -2.59 0.73 0.00 -0.04 0.00 0.00 33.50 32.13 1zdx n PRO 116 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 1zdx h GLN 117 N 4.22 0.01 -0.93 0.54 7.50 -1.98 -0.30 115.11 124.17 1zdx h GLN 117 Ca -0.47 -0.00 0.19 0.00 0.50 0.00 0.00 58.65 58.87 1zdx h GLN 117 Cb 1.25 -0.00 -0.11 0.00 0.05 0.00 0.00 27.48 28.67 1zdx h GLN 117 CO 0.75 0.01 0.51 0.00 -1.50 0.00 0.00 178.83 178.60 1zdx h ALA 118 N 1.47 1.51 -0.98 3.87 0.00 -2.02 -2.57 119.26 120.54 1zdx h ALA 118 Ca 0.51 0.10 -0.62 0.00 0.00 0.00 0.00 54.91 54.90 1zdx h ALA 118 Cb 2.02 -0.00 -0.30 0.00 0.00 0.00 0.00 17.79 19.51 1zdx h ALA 118 CO -0.02 -0.14 0.76 1.19 0.00 0.00 0.00 179.25 181.04 1zdx n PHE 119 N -4.87 3.15 -4.03 0.00 3.01 -0.12 -4.85 117.46 109.75 1zdx n PHE 119 Ca 0.21 -2.65 -0.24 0.00 1.01 0.00 0.00 57.45 55.78 1zdx n PHE 119 Cb 0.56 -1.27 -0.17 0.00 -0.01 0.00 0.00 39.48 38.59 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 -3.66 1.19 0.01 -1.08 -1.94 -0.97 -1.62 119.30 111.23 1zdx s MET 120 Ca 0.62 -0.16 -0.08 0.00 -1.71 0.00 0.00 55.69 54.36 1zdx s MET 120 Cb 0.50 -1.26 -0.04 0.00 2.01 0.00 0.00 34.83 36.03 1zdx s MET 120 CO 0.03 -0.19 1.03 1.03 -0.01 0.00 0.00 175.02 176.91 1zdx h SER 121 N 7.83 -0.24 0.00 3.03 0.87 -1.51 -3.46 113.55 120.07 1zdx h SER 121 Ca -0.29 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 1zdx h SER 121 Cb 1.14 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1zdx h SER 121 CO 0.39 -0.16 0.00 -3.20 -0.53 0.00 0.00 176.83 173.33 1zdx n ASN 122 N -2.80 0.00 -3.83 6.23 2.85 -1.26 -5.07 115.26 111.37 1zdx n ASN 122 Ca -0.03 0.00 -0.22 0.00 -0.11 0.00 0.00 54.58 54.21 1zdx n ASN 122 Cb 0.11 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 40.96 1zdx n ASN 122 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1zdx s ARG 123 N -0.57 0.80 -0.19 1.20 1.81 -1.26 -5.12 118.95 115.61 1zdx s ARG 123 Ca 0.00 -0.02 -0.20 0.00 -1.72 0.00 0.00 55.73 53.80 1zdx s ARG 123 Cb 0.00 -0.99 -0.03 0.00 -0.45 0.00 0.00 34.95 33.48 1zdx s ARG 123 CO 0.00 -0.21 0.57 0.00 -0.68 0.00 0.00 175.30 174.98 1zdx s ALA 124 N 1.53 3.53 0.00 2.13 0.00 -1.26 -4.59 121.76 123.09 1zdx s ALA 124 Ca -0.01 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1zdx s ALA 124 Cb -0.13 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 20.11 1zdx s ALA 124 CO -0.03 -0.46 0.09 0.54 0.00 0.00 0.00 175.76 175.90