#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1duz n ILE 1 N 0.00 1.66 -3.68 2.02 5.41 -1.26 -5.03 119.36 118.48 1duz n ILE 1 Ca 0.00 -0.42 -0.15 0.00 1.00 0.00 0.00 62.75 63.18 1duz n ILE 1 Cb 0.00 -1.98 -0.15 0.00 -0.71 0.00 0.00 39.64 36.80 1duz n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1duz s GLN 2 N -1.56 0.08 -0.05 0.38 -0.21 -1.26 -4.40 119.66 112.64 1duz s GLN 2 Ca 0.57 0.57 0.06 0.00 0.02 0.00 0.00 55.36 56.58 1duz s GLN 2 Cb -0.48 -0.20 -0.01 0.00 1.00 0.00 0.00 33.01 33.32 1duz s GLN 2 CO 0.59 -0.27 -0.23 1.03 -2.12 0.00 0.00 175.29 174.29 1duz s ARG 3 N 2.07 2.53 0.30 2.91 0.52 0.33 -4.92 118.95 122.70 1duz s ARG 3 Ca -0.00 -0.87 -0.28 0.00 -0.52 0.00 0.00 55.73 54.06 1duz s ARG 3 Cb -0.12 -2.20 -0.09 0.00 0.52 0.00 0.00 34.95 33.06 1duz s ARG 3 CO -0.07 0.43 1.02 0.99 0.02 0.00 0.00 175.30 177.69 1duz s THR 4 N -0.28 3.83 0.25 0.02 2.01 -1.26 -1.75 115.64 118.46 1duz s THR 4 Ca 0.00 1.67 -0.30 0.00 0.31 0.00 0.00 61.69 63.38 1duz s THR 4 Cb -0.13 -4.00 -0.09 0.00 0.01 0.00 0.00 72.50 68.29 1duz s THR 4 CO 0.03 0.27 1.10 -2.16 -0.69 0.00 0.00 174.62 173.17 1duz s PRO 5 N -1.73 4.63 0.23 4.92 0.04 -1.26 -4.28 135.00 137.55 1duz s PRO 5 Ca 0.48 1.78 -0.16 0.00 0.04 0.00 0.00 61.00 63.13 1duz s PRO 5 Cb -0.26 -3.21 -0.08 0.00 0.04 0.00 0.00 34.50 30.99 1duz s PRO 5 CO 0.32 0.18 0.66 0.15 0.04 0.00 0.00 177.00 178.36 1duz s LYS 6 N -1.14 4.08 -0.03 4.56 1.02 0.13 -4.87 119.74 123.48 1duz s LYS 6 Ca 0.46 0.67 0.02 0.00 0.02 0.00 0.00 55.97 57.14 1duz s LYS 6 Cb -0.31 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.24 1duz s LYS 6 CO 0.39 0.35 -0.09 0.42 -0.92 0.00 0.00 175.35 175.51 1duz s ILE 7 N -1.64 0.80 -0.02 2.17 1.01 -1.26 -2.17 121.20 120.09 1duz s ILE 7 Ca 0.45 -0.34 0.02 0.00 0.00 0.00 0.00 60.65 60.78 1duz s ILE 7 Cb -0.14 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.60 1duz s ILE 7 CO 0.20 0.26 -0.07 -1.10 0.00 0.00 0.00 174.94 174.22 1duz s GLN 8 N 0.38 0.73 -0.10 2.79 -0.21 -0.36 -4.99 119.66 117.89 1duz s GLN 8 Ca -0.06 -0.25 0.03 0.00 0.02 0.00 0.00 55.36 55.10 1duz s GLN 8 Cb -0.11 -0.71 0.00 0.00 1.00 0.00 0.00 33.01 33.20 1duz s GLN 8 CO 0.01 0.11 -0.22 0.54 -2.12 0.00 0.00 175.29 173.61 1duz s VAL 9 N 0.11 1.94 0.25 1.09 0.11 -1.26 -1.13 120.40 121.51 1duz s VAL 9 Ca -0.01 -0.94 -0.21 0.00 -2.93 0.00 0.00 61.98 57.88 1duz s VAL 9 Cb -0.06 -1.70 0.05 0.00 -1.53 0.00 0.00 36.38 33.14 1duz s VAL 9 CO -0.00 0.53 0.84 -0.72 -3.33 0.00 0.00 175.10 172.42 1duz s TYR 10 N 0.49 -0.09 0.06 1.54 1.13 -0.44 -4.65 117.35 115.40 1duz s TYR 10 Ca -0.16 -0.36 0.00 0.00 -1.41 0.00 0.00 57.07 55.15 1duz s TYR 10 Cb -0.17 0.71 -0.04 0.00 -1.10 0.00 0.00 41.96 41.36 1duz s TYR 10 CO 0.06 -1.14 0.19 -1.54 -2.51 0.00 0.00 175.55 170.61 1duz s SER 11 N -3.01 6.22 0.21 -0.18 1.04 -1.26 0.87 113.70 117.59 1duz s SER 11 Ca 0.13 0.23 -0.10 0.00 0.48 0.00 0.00 55.95 56.69 1duz s SER 11 Cb -0.04 -1.88 0.21 0.00 0.10 0.00 0.00 66.02 64.41 1duz s SER 11 CO 0.06 0.18 1.82 -0.09 0.98 0.00 0.00 173.24 176.19 1duz h ARG 12 N 3.17 0.70 -6.31 4.02 2.43 -1.39 -3.45 114.38 113.55 1duz h ARG 12 Ca -0.46 -0.04 -0.61 0.00 -0.81 0.00 0.00 59.98 58.06 1duz h ARG 12 Cb 1.16 -0.16 -0.14 0.00 -0.42 0.00 0.00 29.97 30.42 1duz h ARG 12 CO 0.74 0.46 -0.74 -1.01 -1.51 0.00 0.00 179.97 177.91 1duz s HIS 13 N -6.11 2.43 0.34 2.20 3.76 -1.26 -5.05 115.29 111.61 1duz s HIS 13 Ca -0.13 -0.30 -0.29 0.00 -0.15 0.00 0.00 55.06 54.20 1duz s HIS 13 Cb 0.16 -1.10 -0.11 0.00 1.11 0.00 0.00 32.58 32.63 1duz s HIS 13 CO 0.76 0.63 1.46 -2.14 -0.85 0.00 0.00 174.74 174.60 1duz s PRO 14 N -3.30 4.18 0.07 8.40 0.02 -1.26 -4.88 135.00 138.23 1duz s PRO 14 Ca 0.28 2.47 -0.31 0.00 0.02 0.00 0.00 61.00 63.47 1duz s PRO 14 Cb -0.06 -3.01 -0.07 0.00 0.02 0.00 0.00 34.50 31.38 1duz s PRO 14 CO 0.15 -0.47 1.34 0.00 -0.33 0.00 0.00 177.00 177.69 1duz s ALA 15 N -0.81 3.53 -0.08 -1.55 0.00 -1.26 -5.02 121.76 116.57 1duz s ALA 15 Ca 0.54 0.97 0.00 0.00 0.00 0.00 0.00 51.96 53.48 1duz s ALA 15 Cb -0.45 -3.53 0.02 0.00 0.00 0.00 0.00 23.12 19.17 1duz s ALA 15 CO 0.56 -0.65 -0.07 -1.21 0.00 0.00 0.00 175.76 174.40 1duz s GLU 16 N 1.45 1.30 0.17 0.00 2.02 -1.26 -5.10 118.70 117.27 1duz s GLU 16 Ca 0.63 -0.21 -0.34 0.00 0.02 0.00 0.00 54.97 55.07 1duz s GLU 16 Cb -0.33 -1.30 -0.14 0.00 0.10 0.00 0.00 34.13 32.46 1duz s GLU 16 CO 0.29 -0.16 1.56 0.09 0.02 0.00 0.00 175.26 177.06 1duz n ASN 17 N 4.51 3.06 0.00 -0.19 3.02 -1.26 -1.39 115.26 123.01 1duz n ASN 17 Ca -0.17 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.47 1duz n ASN 17 Cb 0.51 -1.43 0.00 0.00 -0.61 0.00 0.00 39.78 38.25 1duz n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1duz n GLY 18 N 3.31 1.42 3.60 7.41 0.00 -0.55 -5.02 105.19 115.37 1duz n GLY 18 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1duz n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1duz s LYS 19 N -0.50 3.51 0.66 1.61 1.02 -0.49 -5.01 119.74 120.54 1duz s LYS 19 Ca 0.00 -0.43 -0.16 0.00 0.02 0.00 0.00 55.97 55.40 1duz s LYS 19 Cb 0.00 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 34.36 1duz s LYS 19 CO 0.00 0.42 1.17 -1.54 -0.92 0.00 0.00 175.35 174.48 1duz s SER 20 N -0.09 4.86 0.00 2.83 1.04 -1.26 -4.18 113.70 116.89 1duz s SER 20 Ca 0.04 2.23 0.00 0.00 0.48 0.00 0.00 55.95 58.70 1duz s SER 20 Cb -0.13 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.42 1duz s SER 20 CO 0.02 -1.81 0.00 -3.20 0.98 0.00 0.00 173.24 169.23 1duz n ASN 21 N -2.23 0.00 -3.97 7.02 2.85 0.50 -4.98 115.26 114.45 1duz n ASN 21 Ca 0.12 -0.64 -0.19 0.00 -0.11 0.00 0.00 54.58 53.76 1duz n ASN 21 Cb 0.51 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.37 1duz n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1duz s PHE 22 N -6.34 0.78 -0.24 1.20 0.40 -1.26 -1.40 117.98 111.12 1duz s PHE 22 Ca 0.00 -0.18 -0.14 0.00 -0.60 0.00 0.00 56.93 56.00 1duz s PHE 22 Cb 0.00 -0.57 -0.04 0.00 0.51 0.00 0.00 43.02 42.92 1duz s PHE 22 CO 0.00 -0.09 0.34 -1.17 0.70 0.00 0.00 175.22 175.00 1duz s LEU 23 N 0.23 4.09 0.07 -0.37 2.96 -0.05 -0.88 118.68 124.73 1duz s LEU 23 Ca -0.03 0.32 0.06 0.00 -0.22 0.00 0.00 54.13 54.26 1duz s LEU 23 Cb -0.08 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.19 1duz s LEU 23 CO 0.00 -0.10 -0.10 0.20 -1.32 0.00 0.00 176.35 175.03 1duz s ASN 24 N 1.35 4.40 -0.22 3.68 0.01 0.25 -1.19 114.94 123.22 1duz s ASN 24 Ca 0.15 -0.32 -0.02 0.00 -0.71 0.00 0.00 52.86 51.96 1duz s ASN 24 Cb -0.15 -0.88 0.06 0.00 0.41 0.00 0.00 41.25 40.69 1duz s ASN 24 CO 0.08 0.21 0.02 0.00 -1.51 0.00 0.00 177.10 175.90 1duz s TYR 26 N 1.70 3.38 -0.10 0.00 5.04 -0.28 -0.82 117.35 126.28 1duz s TYR 26 Ca -0.01 0.42 0.04 0.00 -2.44 0.00 0.00 57.07 55.08 1duz s TYR 26 Cb -0.18 -2.32 0.00 0.00 0.35 0.00 0.00 41.96 39.82 1duz s TYR 26 CO -0.09 0.14 -0.23 0.14 -1.34 0.00 0.00 175.55 174.17 1duz s VAL 27 N 0.82 1.98 0.16 3.14 -7.23 -0.78 -1.22 120.40 117.27 1duz s VAL 27 Ca 0.12 -0.97 -0.11 0.00 -1.81 0.00 0.00 61.98 59.21 1duz s VAL 27 Cb -0.13 -1.71 0.00 0.00 0.56 0.00 0.00 36.38 35.10 1duz s VAL 27 CO 0.04 0.54 0.33 -0.94 -0.31 0.00 0.00 175.10 174.75 1duz s SER 28 N 0.35 -0.02 -0.60 4.85 1.04 -0.92 -1.50 113.70 116.90 1duz s SER 28 Ca -0.18 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.48 1duz s SER 28 Cb -0.18 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1duz s SER 28 CO 0.08 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.00 1duz n GLY 29 N -0.23 0.81 3.78 7.32 0.00 -0.75 -0.69 105.19 115.43 1duz n GLY 29 Ca -0.09 -0.61 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 1duz n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1duz s PHE 30 N -2.16 3.03 -0.28 1.61 -0.71 -1.20 -4.31 117.98 113.96 1duz s PHE 30 Ca 0.00 -0.12 -0.21 0.00 -1.04 0.00 0.00 56.93 55.55 1duz s PHE 30 Cb 0.00 -1.37 0.10 0.00 -1.21 0.00 0.00 43.02 40.54 1duz s PHE 30 CO 0.00 0.54 0.86 -1.58 -1.34 0.00 0.00 175.22 173.70 1duz s HIS 31 N -2.11 -0.71 1.26 3.49 2.46 -0.71 -1.31 115.29 117.66 1duz s HIS 31 Ca 0.32 1.59 -0.21 0.00 0.47 0.00 0.00 55.06 57.23 1duz s HIS 31 Cb -0.08 0.39 0.32 0.00 -0.13 0.00 0.00 32.58 33.08 1duz s HIS 31 CO 0.24 -0.35 1.04 -0.35 -2.47 0.00 0.00 174.74 172.85 1duz n PRO 32 N 3.09 -3.46 0.01 2.88 -0.04 -1.26 -0.51 135.00 135.72 1duz n PRO 32 Ca -0.16 -1.68 0.13 0.00 -0.04 0.00 0.00 63.50 61.76 1duz n PRO 32 Cb 0.57 -1.67 0.43 0.00 -0.04 0.00 0.00 33.50 32.79 1duz n PRO 32 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1duz n SER 33 N -5.03 0.31 -4.71 3.54 3.41 -1.26 -4.81 113.62 105.06 1duz n SER 33 Ca 0.15 0.20 -0.42 0.00 -0.26 0.00 0.00 58.87 58.54 1duz n SER 33 Cb 0.58 -0.20 -0.03 0.00 -0.26 0.00 0.00 64.21 64.31 1duz n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 1duz s ASP 34 N -3.24 6.73 -0.04 4.04 1.11 -1.26 -4.97 116.67 119.05 1duz s ASP 34 Ca 0.12 2.43 -0.28 0.00 0.18 0.00 0.00 52.55 55.00 1duz s ASP 34 Cb 0.17 -2.59 0.06 0.00 1.07 0.00 0.00 42.92 41.64 1duz s ASP 34 CO 0.61 -0.72 0.60 -0.51 1.18 0.00 0.00 175.17 176.34 1duz s ILE 35 N 1.19 0.01 -0.22 0.77 2.07 -1.26 -4.64 121.20 119.12 1duz s ILE 35 Ca 0.67 -0.10 -0.02 0.00 -1.41 0.00 0.00 60.65 59.79 1duz s ILE 35 Cb -0.39 -0.93 0.01 0.00 0.13 0.00 0.00 42.46 41.28 1duz s ILE 35 CO 0.30 -0.05 -0.09 -0.70 -1.91 0.00 0.00 174.94 172.49 1duz s GLU 36 N -1.32 3.04 -0.12 3.50 2.12 -0.09 -4.99 118.70 120.85 1duz s GLU 36 Ca -0.11 -0.83 0.01 0.00 0.36 0.00 0.00 54.97 54.40 1duz s GLU 36 Cb -0.01 -2.89 0.02 0.00 0.26 0.00 0.00 34.13 31.51 1duz s GLU 36 CO 0.08 -0.29 -0.15 0.08 -0.54 0.00 0.00 175.26 174.44 1duz s VAL 37 N 1.36 1.51 0.06 3.70 1.01 -1.26 -1.51 120.40 125.27 1duz s VAL 37 Ca 0.03 -0.64 0.09 0.00 0.00 0.00 0.00 61.98 61.46 1duz s VAL 37 Cb -0.15 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.81 1duz s VAL 37 CO -0.06 0.44 -0.25 -1.81 0.00 0.00 0.00 175.10 173.42 1duz s ASP 38 N 1.09 3.06 -0.12 3.32 1.01 -0.26 -4.99 116.67 119.78 1duz s ASP 38 Ca -0.04 -0.61 -0.06 0.00 0.71 0.00 0.00 52.55 52.55 1duz s ASP 38 Cb -0.14 -0.26 -0.04 0.00 1.01 0.00 0.00 42.92 43.49 1duz s ASP 38 CO -0.03 0.23 0.11 -0.76 0.21 0.00 0.00 175.17 174.92 1duz s LEU 39 N -1.36 4.21 -0.04 1.23 1.43 -1.26 -0.89 118.68 121.99 1duz s LEU 39 Ca 0.11 0.38 0.04 0.00 -1.03 0.00 0.00 54.13 53.64 1duz s LEU 39 Cb -0.10 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.08 1duz s LEU 39 CO 0.03 0.38 -0.15 -0.76 0.23 0.00 0.00 176.35 176.08 1duz s LEU 40 N -0.88 2.70 -0.21 1.79 1.43 0.27 -0.48 118.68 123.29 1duz s LEU 40 Ca 0.14 -0.22 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1duz s LEU 40 Cb -0.12 -1.54 0.02 0.00 0.03 0.00 0.00 46.19 44.58 1duz s LEU 40 CO 0.03 0.34 -0.15 -0.75 0.23 0.00 0.00 176.35 176.05 1duz s LYS 41 N -0.75 2.88 -1.58 1.70 2.20 0.30 -2.45 119.74 122.04 1duz s LYS 41 Ca 0.12 -0.92 -0.15 0.00 -0.36 0.00 0.00 55.97 54.66 1duz s LYS 41 Cb -0.11 -2.71 0.11 0.00 -1.51 0.00 0.00 37.83 33.61 1duz s LYS 41 CO 0.01 -0.29 0.91 0.09 -0.36 0.00 0.00 175.35 175.70 1duz n ASN 42 N 4.61 -4.36 0.00 1.43 3.02 0.39 -1.32 115.26 119.02 1duz n ASN 42 Ca -0.19 -0.83 0.00 0.00 -0.03 0.00 0.00 54.58 53.53 1duz n ASN 42 Cb 0.48 -3.51 0.00 0.00 -0.61 0.00 0.00 39.78 36.15 1duz n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1duz n GLY 43 N -1.58 1.79 3.80 7.41 0.00 -1.26 -5.04 105.19 110.32 1duz n GLY 43 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 1duz n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1duz s GLU 44 N -0.55 3.07 0.16 1.61 2.12 -0.43 -4.99 118.70 119.68 1duz s GLU 44 Ca 0.00 -0.55 -0.32 0.00 0.36 0.00 0.00 54.97 54.47 1duz s GLU 44 Cb 0.00 -2.85 -0.10 0.00 0.26 0.00 0.00 34.13 31.44 1duz s GLU 44 CO 0.00 0.61 1.59 0.50 -0.54 0.00 0.00 175.26 177.42 1duz s ARG 45 N -2.10 4.21 -0.06 4.30 3.52 -1.26 -0.54 118.95 127.02 1duz s ARG 45 Ca 0.27 2.38 -0.27 0.00 -0.13 0.00 0.00 55.73 57.98 1duz s ARG 45 Cb -0.12 -3.18 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 1duz s ARG 45 CO 0.19 -0.63 0.87 0.42 -0.81 0.00 0.00 175.30 175.34 1duz s ILE 46 N 1.25 4.92 0.07 4.11 1.01 0.37 -4.86 121.20 128.06 1duz s ILE 46 Ca 0.71 1.78 0.09 0.00 0.00 0.00 0.00 60.65 63.23 1duz s ILE 46 Cb -0.44 -4.20 -0.17 0.00 0.01 0.00 0.00 42.46 37.66 1duz s ILE 46 CO 0.31 0.15 1.24 -0.33 0.00 0.00 0.00 174.94 176.32 1duz h GLU 47 N 6.90 0.00 -4.23 2.79 4.39 -1.94 -3.40 114.58 119.09 1duz h GLU 47 Ca -0.38 0.00 -0.76 0.00 0.34 0.00 0.00 59.36 58.56 1duz h GLU 47 Cb 1.19 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.61 1duz h GLU 47 CO 0.78 0.88 0.34 0.21 -1.16 0.00 0.00 179.01 180.05 1duz s LYS 48 N -2.74 3.60 -0.05 2.33 2.20 -1.26 -4.97 119.74 118.86 1duz s LYS 48 Ca 0.01 -2.22 0.03 0.00 -0.36 0.00 0.00 55.97 53.43 1duz s LYS 48 Cb 0.09 -4.59 0.00 0.00 -1.51 0.00 0.00 37.83 31.83 1duz s LYS 48 CO 0.81 -1.45 -0.14 0.08 -0.36 0.00 0.00 175.35 174.29 1duz s VAL 49 N 1.01 1.19 0.45 4.02 1.01 -1.26 -4.72 120.40 122.09 1duz s VAL 49 Ca 0.23 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1duz s VAL 49 Cb -0.09 -1.06 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 1duz s VAL 49 CO -0.09 0.36 0.27 -1.61 0.00 0.00 0.00 175.10 174.03 1duz s GLU 50 N 0.30 2.31 0.04 2.72 2.02 -0.51 -4.92 118.70 120.66 1duz s GLU 50 Ca -0.08 -1.82 -0.10 0.00 0.02 0.00 0.00 54.97 52.99 1duz s GLU 50 Cb -0.13 -2.09 0.01 0.00 0.10 0.00 0.00 34.13 32.02 1duz s GLU 50 CO 0.02 -0.25 0.22 -3.38 0.02 0.00 0.00 175.26 171.89 1duz s HIS 51 N -2.61 0.01 1.08 1.61 -3.43 -1.26 -0.91 115.29 109.78 1duz s HIS 51 Ca 0.40 -0.21 -0.13 0.00 -0.80 0.00 0.00 55.06 54.32 1duz s HIS 51 Cb 0.01 0.00 0.23 0.00 -1.43 0.00 0.00 32.58 31.39 1duz s HIS 51 CO 0.23 -0.45 1.07 -1.54 -2.00 0.00 0.00 174.74 172.05 1duz s SER 52 N -2.07 1.85 0.15 7.38 1.04 0.42 -4.98 113.70 117.49 1duz s SER 52 Ca -0.05 1.28 -0.28 0.00 0.48 0.00 0.00 55.95 57.38 1duz s SER 52 Cb -0.01 -2.00 -0.07 0.00 0.10 0.00 0.00 66.02 64.04 1duz s SER 52 CO -0.04 -3.63 0.88 -1.81 0.98 0.00 0.00 173.24 169.63 1duz s ASP 53 N -3.09 7.48 0.12 7.02 1.01 -1.26 -4.75 116.67 123.19 1duz s ASP 53 Ca 0.67 1.75 -0.35 0.00 0.71 0.00 0.00 52.55 55.33 1duz s ASP 53 Cb -0.21 -2.56 -0.15 0.00 1.01 0.00 0.00 42.92 41.02 1duz s ASP 53 CO 0.60 0.07 1.53 -0.11 0.21 0.00 0.00 175.17 177.48 1duz n LEU 54 N 2.15 2.69 -4.21 1.23 7.94 -1.26 -4.94 117.00 120.59 1duz n LEU 54 Ca -0.01 1.09 -0.17 0.00 -1.11 0.00 0.00 56.01 55.80 1duz n LEU 54 Cb 0.49 -1.35 -0.07 0.00 0.53 0.00 0.00 43.42 43.01 1duz n LEU 54 CO 0.49 -0.49 -0.05 -0.55 -1.11 0.00 0.00 177.39 175.68 1duz s SER 55 N 0.98 1.27 0.09 1.96 0.15 -1.23 -5.04 113.70 111.88 1duz s SER 55 Ca 0.81 -1.63 -0.10 0.00 0.70 0.00 0.00 55.95 55.74 1duz s SER 55 Cb -0.76 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1duz s SER 55 CO 0.41 -1.11 0.22 0.72 1.20 0.00 0.00 173.24 174.69 1duz s PHE 56 N -3.42 0.10 0.86 3.44 -0.12 -1.26 -1.55 117.98 116.03 1duz s PHE 56 Ca 0.37 -0.51 -0.08 0.00 -0.05 0.00 0.00 56.93 56.66 1duz s PHE 56 Cb 0.02 -0.02 0.18 0.00 -0.63 0.00 0.00 43.02 42.57 1duz s PHE 56 CO 0.24 -0.56 1.17 -1.12 -0.05 0.00 0.00 175.22 174.90 1duz s SER 57 N -2.84 3.60 0.42 1.98 0.01 0.11 -4.92 113.70 112.06 1duz s SER 57 Ca 0.04 -0.15 0.08 0.00 1.31 0.00 0.00 55.95 57.24 1duz s SER 57 Cb 0.04 -0.00 0.89 0.00 0.21 0.00 0.00 66.02 67.16 1duz s SER 57 CO -0.11 -2.38 2.05 0.50 0.41 0.00 0.00 173.24 173.71 1duz h LYS 58 N -1.13 0.51 -0.50 12.44 3.64 -2.03 -0.97 116.57 128.53 1duz h LYS 58 Ca -0.39 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 1duz h LYS 58 Cb 1.24 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 1duz h LYS 58 CO 0.36 0.34 0.00 -0.40 -2.27 0.00 0.00 179.45 177.48 1duz n ASP 59 N -4.48 1.86 0.00 4.20 5.68 -1.26 -4.89 116.55 117.66 1duz n ASP 59 Ca 0.04 -2.13 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 1duz n ASP 59 Cb 0.09 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 1duz n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1duz n TRP 60 N 0.22 0.00 -2.43 2.11 7.02 -0.37 -5.02 117.44 118.98 1duz n TRP 60 Ca 0.09 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.20 1duz n TRP 60 Cb 0.36 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.22 1duz n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1duz s SER 61 N -3.69 6.48 0.42 -0.99 1.04 -1.26 -4.64 113.70 111.06 1duz s SER 61 Ca 0.00 2.14 -0.06 0.00 0.48 0.00 0.00 55.95 58.51 1duz s SER 61 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 1duz s SER 61 CO 0.00 -0.69 0.73 -0.36 0.98 0.00 0.00 173.24 173.90 1duz s PHE 62 N -1.64 3.52 -0.01 5.02 0.08 -0.43 0.08 117.98 124.61 1duz s PHE 62 Ca 0.61 0.83 -0.08 0.00 0.12 0.00 0.00 56.93 58.41 1duz s PHE 62 Cb -0.24 -2.29 0.01 0.00 -0.57 0.00 0.00 43.02 39.93 1duz s PHE 62 CO 0.30 -0.13 0.17 1.52 -0.10 0.00 0.00 175.22 176.98 1duz s TYR 63 N -2.50 -0.02 -0.06 0.36 -0.85 -0.59 -1.81 117.35 111.87 1duz s TYR 63 Ca 0.48 0.01 -0.06 0.00 -0.52 0.00 0.00 57.07 56.97 1duz s TYR 63 Cb -0.10 -0.01 0.02 0.00 0.38 0.00 0.00 41.96 42.24 1duz s TYR 63 CO 0.38 -0.28 0.17 -0.51 -1.52 0.00 0.00 175.55 173.79 1duz s LEU 64 N -1.17 1.35 -0.20 -3.49 1.43 -0.56 -3.55 118.68 112.49 1duz s LEU 64 Ca -0.13 0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 53.26 1duz s LEU 64 Cb -0.06 0.59 -0.02 0.00 0.03 0.00 0.00 46.19 46.72 1duz s LEU 64 CO 0.02 -0.07 -0.01 -0.22 0.23 0.00 0.00 176.35 176.30 1duz s LEU 65 N 0.05 3.18 -0.05 1.79 2.96 -1.26 -1.87 118.68 123.48 1duz s LEU 65 Ca -0.00 -0.23 -0.03 0.00 -0.22 0.00 0.00 54.13 53.64 1duz s LEU 65 Cb -0.01 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.84 1duz s LEU 65 CO 0.00 0.06 0.12 -0.31 -1.32 0.00 0.00 176.35 174.90 1duz s TYR 66 N 1.01 3.45 -0.06 5.38 1.51 -0.00 -0.44 117.35 128.20 1duz s TYR 66 Ca 0.01 0.36 -0.31 0.00 -1.01 0.00 0.00 57.07 56.12 1duz s TYR 66 Cb -0.14 -1.84 0.08 0.00 -0.11 0.00 0.00 41.96 39.94 1duz s TYR 66 CO 0.01 0.63 0.72 1.52 -1.11 0.00 0.00 175.55 177.32 1duz s TYR 67 N -1.14 -0.62 -0.04 2.71 1.13 -0.09 -0.83 117.35 118.47 1duz s TYR 67 Ca 0.20 1.05 -0.06 0.00 -1.41 0.00 0.00 57.07 56.84 1duz s TYR 67 Cb -0.12 0.42 0.01 0.00 -1.10 0.00 0.00 41.96 41.17 1duz s TYR 67 CO 0.10 -0.59 0.16 -0.08 -2.51 0.00 0.00 175.55 172.64 1duz s THR 68 N -1.26 0.03 0.38 -3.49 -1.32 -0.33 -1.43 115.64 108.22 1duz s THR 68 Ca -0.10 -0.27 -0.27 0.00 -1.21 0.00 0.00 61.69 59.85 1duz s THR 68 Cb -0.00 -0.32 -0.09 0.00 -1.51 0.00 0.00 72.50 70.58 1duz s THR 68 CO 0.08 -0.15 1.34 -1.61 -2.21 0.00 0.00 174.62 172.08 1duz s GLU 69 N -0.48 4.08 0.18 7.08 2.02 -1.26 -0.87 118.70 129.44 1duz s GLU 69 Ca -0.06 2.26 -0.21 0.00 0.02 0.00 0.00 54.97 56.98 1duz s GLU 69 Cb -0.04 -2.88 0.05 0.00 0.10 0.00 0.00 34.13 31.37 1duz s GLU 69 CO 0.01 -0.43 0.59 -0.59 0.02 0.00 0.00 175.26 174.85 1duz s PHE 70 N -1.20 -0.41 -0.27 1.61 -0.71 -0.49 -4.83 117.98 111.67 1duz s PHE 70 Ca 0.54 0.14 0.03 0.00 -1.04 0.00 0.00 56.93 56.60 1duz s PHE 70 Cb -0.40 0.53 0.07 0.00 -1.21 0.00 0.00 43.02 42.01 1duz s PHE 70 CO 0.53 -0.90 -0.08 0.99 -1.34 0.00 0.00 175.22 174.42 1duz s THR 71 N -3.79 2.13 0.63 -4.49 2.01 -1.26 -0.37 115.64 110.49 1duz s THR 71 Ca 0.03 -1.71 -0.17 0.00 0.31 0.00 0.00 61.69 60.16 1duz s THR 71 Cb -0.01 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.19 1duz s THR 71 CO -0.09 -0.12 1.17 -2.16 -0.69 0.00 0.00 174.62 172.73 1duz s PRO 72 N 1.10 2.80 0.43 4.92 0.04 -1.26 -4.75 135.00 138.28 1duz s PRO 72 Ca -0.06 1.66 0.03 0.00 0.04 0.00 0.00 61.00 62.67 1duz s PRO 72 Cb -0.20 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 1duz s PRO 72 CO -0.06 -1.30 0.05 0.95 0.04 0.00 0.00 177.00 176.69 1duz s THR 73 N -1.91 1.12 0.28 1.26 -4.23 -1.26 -1.48 115.64 109.42 1duz s THR 73 Ca 0.73 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 59.26 1duz s THR 73 Cb -0.26 -2.45 0.08 0.00 1.34 0.00 0.00 72.50 71.21 1duz s THR 73 CO 0.37 0.00 1.74 -0.08 -0.54 0.00 0.00 174.62 176.11 1duz h GLU 74 N 1.67 0.52 0.00 3.99 4.81 -1.98 -3.34 114.58 120.24 1duz h GLU 74 Ca -0.41 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 58.64 1duz h GLU 74 Cb 1.28 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1duz h GLU 74 CO 0.69 0.70 -1.84 0.36 -0.73 0.00 0.00 179.01 178.19 1duz n LYS 75 N -4.14 0.59 -2.36 1.92 2.85 -1.26 -4.96 118.16 110.80 1duz n LYS 75 Ca -0.00 -0.17 -0.41 0.00 -1.05 0.00 0.00 58.31 56.68 1duz n LYS 75 Cb 0.38 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.23 1duz n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1duz s ASP 76 N -4.24 7.09 -0.15 -5.58 1.01 -1.26 -5.03 116.67 108.52 1duz s ASP 76 Ca -0.06 2.32 -0.06 0.00 0.71 0.00 0.00 52.55 55.46 1duz s ASP 76 Cb 0.14 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 1duz s ASP 76 CO 0.87 -0.33 0.04 -1.61 0.21 0.00 0.00 175.17 174.35 1duz s GLU 77 N -0.81 3.63 0.21 8.23 2.02 -1.26 -4.74 118.70 125.98 1duz s GLU 77 Ca 0.50 -0.35 0.09 0.00 0.02 0.00 0.00 54.97 55.23 1duz s GLU 77 Cb -0.34 -3.07 -0.05 0.00 0.10 0.00 0.00 34.13 30.78 1duz s GLU 77 CO 0.40 0.44 -0.17 0.71 0.02 0.00 0.00 175.26 176.66 1duz s TYR 78 N -0.12 1.89 0.23 1.61 1.51 -1.26 -0.46 117.35 120.74 1duz s TYR 78 Ca 0.06 -0.48 -0.20 0.00 -1.01 0.00 0.00 57.07 55.44 1duz s TYR 78 Cb -0.12 -0.88 0.03 0.00 -0.11 0.00 0.00 41.96 40.88 1duz s TYR 78 CO 0.01 0.44 0.62 0.00 -1.11 0.00 0.00 175.55 175.51 1duz s ALA 79 N -2.57 -1.13 -0.06 3.71 0.00 -1.03 0.54 121.76 121.22 1duz s ALA 79 Ca 0.22 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 52.07 1duz s ALA 79 Cb -0.03 0.88 -0.01 0.00 0.00 0.00 0.00 23.12 23.96 1duz s ALA 79 CO 0.09 -0.90 -0.24 0.00 0.00 0.00 0.00 175.76 174.71 1duz s ARG 81 N -0.06 2.16 -0.00 0.00 3.52 -0.07 -1.25 118.95 123.25 1duz s ARG 81 Ca -0.06 -0.52 0.08 0.00 -0.13 0.00 0.00 55.73 55.11 1duz s ARG 81 Cb -0.14 -1.97 -0.02 0.00 -1.56 0.00 0.00 34.95 31.26 1duz s ARG 81 CO 0.04 -0.19 -0.25 0.08 -0.81 0.00 0.00 175.30 174.17 1duz s VAL 82 N 1.37 1.99 -0.01 7.11 1.01 -0.04 -1.11 120.40 130.73 1duz s VAL 82 Ca 0.02 -1.14 0.04 0.00 0.00 0.00 0.00 61.98 60.90 1duz s VAL 82 Cb -0.13 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.57 1duz s VAL 82 CO -0.08 0.51 -0.13 0.20 0.00 0.00 0.00 175.10 175.60 1duz s ASN 83 N -0.74 1.54 0.13 3.32 0.01 -0.57 -1.34 114.94 117.30 1duz s ASN 83 Ca 0.10 -0.25 -0.23 0.00 -0.71 0.00 0.00 52.86 51.77 1duz s ASN 83 Cb -0.10 -0.17 0.07 0.00 0.41 0.00 0.00 41.25 41.46 1duz s ASN 83 CO -0.00 0.16 0.58 -2.28 -1.51 0.00 0.00 177.10 174.05 1duz s HIS 84 N -0.33 -0.51 0.56 2.20 5.65 -1.26 -0.91 115.29 120.68 1duz s HIS 84 Ca 0.05 0.36 0.26 0.00 0.25 0.00 0.00 55.06 55.98 1duz s HIS 84 Cb -0.05 0.51 1.49 0.00 -1.18 0.00 0.00 32.58 33.35 1duz s HIS 84 CO -0.00 -0.81 2.03 -0.39 -0.65 0.00 0.00 174.74 174.92 1duz h VAL 85 N 2.15 0.61 0.00 0.89 -1.51 -1.95 -1.11 116.25 115.33 1duz h VAL 85 Ca -0.33 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.14 1duz h VAL 85 Cb 1.29 0.77 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1duz h VAL 85 CO 0.39 0.00 0.00 0.35 -1.23 0.00 0.00 177.57 177.08 1duz n THR 86 N -4.09 0.02 -4.54 7.19 -2.24 -1.26 -4.78 114.28 104.58 1duz n THR 86 Ca 0.06 0.01 -0.33 0.00 -2.27 0.00 0.00 64.05 61.51 1duz n THR 86 Cb 0.48 -0.53 -0.15 0.00 -2.10 0.00 0.00 70.33 68.03 1duz n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1duz s LEU 87 N -2.20 2.47 0.33 3.22 1.43 -0.42 -4.97 118.68 118.54 1duz s LEU 87 Ca 0.39 -0.47 0.08 0.00 -1.03 0.00 0.00 54.13 53.10 1duz s LEU 87 Cb 0.20 -1.56 0.57 0.00 0.03 0.00 0.00 46.19 45.43 1duz s LEU 87 CO 0.38 0.09 1.77 0.77 0.23 0.00 0.00 176.35 179.58 1duz h SER 88 N 7.28 0.19 -5.10 2.29 4.64 -1.86 -3.44 113.55 117.55 1duz h SER 88 Ca -0.32 -0.07 -0.14 0.00 -0.47 0.00 0.00 61.79 60.79 1duz h SER 88 Cb 1.19 -0.05 -0.18 0.00 -0.31 0.00 0.00 62.40 63.05 1duz h SER 88 CO 0.57 0.53 -0.62 -1.10 -0.87 0.00 0.00 176.83 175.34 1duz s GLN 89 N -4.26 0.52 0.46 4.77 -0.21 -1.26 -5.13 119.66 114.55 1duz s GLN 89 Ca -0.04 -0.86 -0.25 0.00 0.02 0.00 0.00 55.36 54.23 1duz s GLN 89 Cb 0.14 0.19 -0.08 0.00 1.00 0.00 0.00 33.01 34.26 1duz s GLN 89 CO 0.75 -0.11 1.43 -1.25 -2.12 0.00 0.00 175.29 173.99 1duz s PRO 90 N -2.71 3.61 -0.19 2.91 0.04 -1.26 -4.95 135.00 132.45 1duz s PRO 90 Ca -0.04 2.43 -0.09 0.00 0.04 0.00 0.00 61.00 63.34 1duz s PRO 90 Cb -0.01 -2.61 -0.05 0.00 0.04 0.00 0.00 34.50 31.88 1duz s PRO 90 CO -0.05 -0.88 0.10 0.21 0.04 0.00 0.00 177.00 176.42 1duz s LYS 91 N -2.51 4.06 -0.19 4.56 2.47 -0.45 -4.89 119.74 122.80 1duz s LYS 91 Ca 0.62 -0.27 -0.01 0.00 -1.56 0.00 0.00 55.97 54.75 1duz s LYS 91 Cb -0.44 -3.32 0.00 0.00 -1.46 0.00 0.00 37.83 32.62 1duz s LYS 91 CO 0.56 0.31 -0.13 0.42 0.16 0.00 0.00 175.35 176.67 1duz s ILE 92 N 0.30 2.69 -0.18 5.43 1.01 -1.26 -0.86 121.20 128.32 1duz s ILE 92 Ca 0.06 -0.73 -0.03 0.00 0.00 0.00 0.00 60.65 59.95 1duz s ILE 92 Cb -0.12 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 1duz s ILE 92 CO -0.01 0.49 -0.05 -0.69 0.00 0.00 0.00 174.94 174.68 1duz s VAL 93 N 1.25 3.52 0.37 2.92 1.01 -0.38 -4.97 120.40 124.12 1duz s VAL 93 Ca 0.03 -0.47 -0.17 0.00 0.00 0.00 0.00 61.98 61.37 1duz s VAL 93 Cb -0.14 -2.56 -0.10 0.00 0.00 0.00 0.00 36.38 33.58 1duz s VAL 93 CO -0.06 0.46 0.82 -0.54 0.00 0.00 0.00 175.10 175.78 1duz s LYS 94 N 0.93 4.08 -0.05 2.72 1.02 -1.26 -0.94 119.74 126.24 1duz s LYS 94 Ca -0.01 0.84 -0.28 0.00 0.02 0.00 0.00 55.97 56.54 1duz s LYS 94 Cb -0.15 -2.33 -0.03 0.00 -0.52 0.00 0.00 37.83 34.81 1duz s LYS 94 CO 0.01 0.07 0.92 -0.46 -0.92 0.00 0.00 175.35 174.97 1duz s TRP 95 N -2.08 3.60 -0.31 3.18 -0.00 0.19 -4.90 118.94 118.62 1duz s TRP 95 Ca 0.57 1.56 0.01 0.00 -0.00 0.00 0.00 56.10 58.24 1duz s TRP 95 Cb -0.10 -3.06 0.07 0.00 -0.00 0.00 0.00 33.47 30.38 1duz s TRP 95 CO 0.16 -0.05 -0.01 0.34 -0.00 0.00 0.00 176.95 177.40 1duz s ASP 96 N 1.00 4.73 0.20 5.86 -1.08 -1.26 -4.71 116.67 121.41 1duz s ASP 96 Ca 0.47 -1.63 0.00 0.00 -0.52 0.00 0.00 52.55 50.88 1duz s ASP 96 Cb -0.19 -1.64 0.00 0.00 -1.46 0.00 0.00 42.92 39.62 1duz s ASP 96 CO 0.23 -0.30 0.57 0.54 0.52 0.00 0.00 175.17 176.73 1duz n ARG 97 N 4.45 0.01 -0.63 4.34 1.74 -1.26 -1.86 116.66 123.45 1duz n ARG 97 Ca -0.08 0.28 0.09 0.00 -0.77 0.00 0.00 57.85 57.38 1duz n ARG 97 Cb 0.42 -1.85 0.36 0.00 -1.02 0.00 0.00 32.46 30.37 1duz n ARG 97 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1duz n ASP 98 N -1.32 4.82 0.00 0.55 9.92 -1.26 -4.82 116.55 124.45 1duz n ASP 98 Ca 0.00 -2.50 0.00 0.00 -0.53 0.00 0.00 54.79 51.76 1duz n ASP 98 Cb 0.57 -0.58 0.00 0.00 -0.64 0.00 0.00 41.12 40.47 1duz n ASP 98 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56