#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wuz s ASN 2 N 0.00 5.27 0.11 1.61 0.01 -1.26 -5.06 114.94 115.62 1wuz s ASN 2 Ca 0.00 -0.71 0.00 0.00 -0.71 0.00 0.00 52.86 51.44 1wuz s ASN 2 Cb 0.00 -0.16 0.00 0.00 0.41 0.00 0.00 41.25 41.50 1wuz s ASN 2 CO 0.00 -1.02 0.00 -0.24 -1.51 0.00 0.00 177.10 174.33 1wuz n SER 3 N -1.97 -0.29 -4.55 -1.22 2.88 -1.26 -4.95 113.62 102.26 1wuz n SER 3 Ca 0.10 0.19 -0.43 0.00 -1.33 0.00 0.00 58.87 57.40 1wuz n SER 3 Cb 0.61 0.39 -0.05 0.00 -0.75 0.00 0.00 64.21 64.41 1wuz n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wuz s GLN 4 N -2.00 3.46 0.01 -1.46 0.00 -1.26 -1.46 119.66 116.95 1wuz s GLN 4 Ca 0.00 0.01 0.02 0.00 -0.00 0.00 0.00 55.36 55.39 1wuz s GLN 4 Cb 0.00 -3.93 -0.01 0.00 0.00 0.00 0.00 33.01 29.07 1wuz s GLN 4 CO 0.00 -1.16 -0.06 0.42 0.00 0.00 0.00 175.29 174.49 1wuz s ILE 5 N 3.48 0.47 0.03 3.63 -1.09 -0.68 -5.03 121.20 122.01 1wuz s ILE 5 Ca 0.33 -0.51 -0.00 0.00 -2.23 0.00 0.00 60.65 58.23 1wuz s ILE 5 Cb -0.11 -0.45 -0.03 0.00 -1.58 0.00 0.00 42.46 40.29 1wuz s ILE 5 CO 0.24 -0.04 -0.03 -1.38 -1.23 0.00 0.00 174.94 172.50 1wuz s HIS 6 N -0.54 0.37 0.37 3.97 -3.43 -1.26 -1.17 115.29 113.60 1wuz s HIS 6 Ca -0.02 -0.67 0.04 0.00 -0.80 0.00 0.00 55.06 53.61 1wuz s HIS 6 Cb -0.05 -0.26 -0.05 0.00 -1.43 0.00 0.00 32.58 30.79 1wuz s HIS 6 CO 0.00 -0.23 0.07 0.71 -2.00 0.00 0.00 174.74 173.30 1wuz s TYR 7 N -2.13 1.92 -0.06 0.38 2.02 0.51 -4.90 117.35 115.09 1wuz s TYR 7 Ca -0.09 -1.06 0.03 0.00 -0.37 0.00 0.00 57.07 55.59 1wuz s TYR 7 Cb -0.05 -1.29 0.00 0.00 -0.40 0.00 0.00 41.96 40.22 1wuz s TYR 7 CO -0.03 -0.06 -0.16 -1.54 -1.57 0.00 0.00 175.55 172.20 1wuz s SER 8 N -3.57 2.08 -0.26 2.29 1.04 -0.92 -2.69 113.70 111.67 1wuz s SER 8 Ca 0.29 -0.35 -0.05 0.00 0.48 0.00 0.00 55.95 56.32 1wuz s SER 8 Cb 0.06 -0.79 0.14 0.00 0.10 0.00 0.00 66.02 65.52 1wuz s SER 8 CO 0.14 0.10 0.51 -0.51 0.98 0.00 0.00 173.24 174.46 1wuz s ILE 9 N 0.35 -0.81 0.41 -1.02 1.10 -1.01 -4.42 121.20 115.79 1wuz s ILE 9 Ca -0.10 0.03 -0.25 0.00 -0.51 0.00 0.00 60.65 59.82 1wuz s ILE 9 Cb -0.14 -0.86 -0.08 0.00 0.15 0.00 0.00 42.46 41.52 1wuz s ILE 9 CO 0.04 -0.01 1.19 -2.16 -2.11 0.00 0.00 174.94 171.88 1wuz s PRO 10 N 2.73 3.99 1.02 3.50 0.04 -1.26 -2.49 135.00 142.53 1wuz s PRO 10 Ca 0.07 1.87 -0.18 0.00 0.04 0.00 0.00 61.00 62.79 1wuz s PRO 10 Cb -0.14 -2.64 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 1wuz s PRO 10 CO -0.17 -0.39 -0.27 0.39 0.04 0.00 0.00 177.00 176.60 1wuz n GLU 11 N -0.02 -0.61 -3.22 4.56 1.02 -0.88 -3.63 120.64 117.86 1wuz n GLU 11 Ca 0.05 -0.16 -0.16 0.00 -0.02 0.00 0.00 57.16 56.87 1wuz n GLU 11 Cb 0.46 -1.51 0.05 0.00 -0.02 0.00 0.00 31.44 30.43 1wuz n GLU 11 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1wuz n GLU 12 N -0.35 -5.25 -3.34 3.49 2.13 -1.24 -4.90 120.64 111.18 1wuz n GLU 12 Ca 0.02 0.55 -0.45 0.00 0.66 0.00 0.00 57.16 57.93 1wuz n GLU 12 Cb 0.60 -4.73 -0.06 0.00 0.27 0.00 0.00 31.44 27.53 1wuz n GLU 12 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wuz s ALA 13 N -3.21 3.62 0.84 4.31 0.00 -1.24 -4.95 121.76 121.13 1wuz s ALA 13 Ca 0.38 -2.49 -0.11 0.00 0.00 0.00 0.00 51.96 49.74 1wuz s ALA 13 Cb -0.17 -3.21 0.10 0.00 0.00 0.00 0.00 23.12 19.84 1wuz s ALA 13 CO 0.48 -1.98 1.11 -1.59 0.00 0.00 0.00 175.76 173.78 1wuz s LYS 14 N 1.58 1.69 -0.19 0.00 0.00 -1.26 -4.50 119.74 117.06 1wuz s LYS 14 Ca 0.03 1.23 -0.37 0.00 0.00 0.00 0.00 55.97 56.87 1wuz s LYS 14 Cb -0.29 -1.83 -0.14 0.00 0.00 0.00 0.00 37.83 35.58 1wuz s LYS 14 CO 0.03 -2.06 1.82 0.72 0.00 0.00 0.00 175.35 175.86 1wuz n HIS 15 N -3.81 2.19 0.00 1.78 8.25 -1.26 -1.42 115.22 120.95 1wuz n HIS 15 Ca 0.09 0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.82 1wuz n HIS 15 Cb 0.53 -2.56 0.00 0.00 1.12 0.00 0.00 29.99 29.08 1wuz n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wuz n GLY 16 N 4.33 1.08 3.79 -1.41 0.00 -0.76 -4.92 105.19 107.31 1wuz n GLY 16 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 1wuz n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wuz s THR 17 N -2.00 4.38 0.25 2.61 2.01 -0.51 -4.73 115.64 117.66 1wuz s THR 17 Ca 0.00 1.59 -0.31 0.00 0.31 0.00 0.00 61.69 63.28 1wuz s THR 17 Cb 0.00 -3.99 -0.13 0.00 0.01 0.00 0.00 72.50 68.39 1wuz s THR 17 CO 0.00 0.27 1.55 0.33 -0.69 0.00 0.00 174.62 176.07 1wuz n PHE 18 N 0.89 2.55 0.02 4.92 7.35 -1.26 -2.01 117.46 129.92 1wuz n PHE 18 Ca -0.02 0.29 0.00 0.00 -0.76 0.00 0.00 57.45 56.96 1wuz n PHE 18 Cb 0.50 -2.55 0.00 0.00 0.35 0.00 0.00 39.48 37.78 1wuz n PHE 18 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 1wuz n VAL 19 N 2.41 0.30 0.00 -2.13 0.31 -0.63 -4.74 118.33 113.85 1wuz n VAL 19 Ca 0.11 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.54 1wuz n VAL 19 Cb 0.34 -1.26 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 1wuz n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wuz n GLY 20 N 2.73 2.76 3.50 2.92 0.00 -1.20 -2.16 105.19 113.74 1wuz n GLY 20 Ca 0.00 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 1wuz n GLY 20 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1wuz n ARG 21 N 0.00 0.48 -0.00 1.61 1.85 -1.26 -3.17 116.66 116.16 1wuz n ARG 21 Ca 0.00 0.02 -0.18 0.00 -1.00 0.00 0.00 57.85 56.69 1wuz n ARG 21 Cb 0.00 -2.29 -0.08 0.00 -1.05 0.00 0.00 32.46 29.03 1wuz n ARG 21 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 1wuz h ILE 22 N 7.78 1.28 0.12 8.89 2.10 -1.86 -2.59 117.51 133.22 1wuz h ILE 22 Ca -0.14 -2.07 -0.01 0.00 1.08 0.00 0.00 64.86 63.73 1wuz h ILE 22 Cb 1.30 2.13 0.00 0.00 -1.09 0.00 0.00 36.82 39.16 1wuz h ILE 22 CO 1.26 0.65 -0.06 0.00 -1.08 0.00 0.00 178.15 178.92 1wuz h ALA 23 N 0.49 -0.17 -0.95 0.18 0.00 -1.85 -1.64 119.26 115.33 1wuz h ALA 23 Ca -0.08 -0.22 0.10 0.00 0.00 0.00 0.00 54.91 54.71 1wuz h ALA 23 Cb 1.51 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 19.29 1wuz h ALA 23 CO 0.18 -0.36 0.59 1.96 0.00 0.00 0.00 179.25 181.62 1wuz h GLN 24 N -0.64 0.96 0.00 0.00 1.08 -1.86 0.30 115.11 114.96 1wuz h GLN 24 Ca -0.02 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1wuz h GLN 24 Cb 0.49 -0.22 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 1wuz h GLN 24 CO 0.03 0.64 0.00 -0.44 -0.95 0.00 0.00 178.83 178.10 1wuz h ASP 25 N 0.99 0.00 0.17 1.46 3.32 -1.47 -3.18 116.42 117.71 1wuz h ASP 25 Ca 0.45 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 57.14 1wuz h ASP 25 Cb 0.36 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.90 1wuz h ASP 25 CO -0.23 0.00 -1.87 -0.07 -1.72 0.00 0.00 179.24 175.35 1wuz h LEU 26 N 0.00 0.51 -0.70 1.55 4.07 0.31 -3.46 115.31 117.58 1wuz h LEU 26 Ca 0.00 -0.92 0.00 0.00 0.08 0.00 0.00 57.88 57.04 1wuz h LEU 26 Cb 0.64 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.22 1wuz h LEU 26 CO 0.00 1.80 0.00 0.61 -1.08 0.00 0.00 178.44 179.77 1wuz n GLY 27 N 1.92 0.70 3.29 0.83 0.00 0.76 -4.11 105.19 108.58 1wuz n GLY 27 Ca -0.28 -0.26 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 1wuz n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wuz s LEU 28 N -0.70 2.45 0.15 0.99 1.43 -1.23 -5.04 118.68 116.73 1wuz s LEU 28 Ca 0.00 -1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 51.73 1wuz s LEU 28 Cb 0.00 -0.38 -0.07 0.00 0.03 0.00 0.00 46.19 45.77 1wuz s LEU 28 CO 0.00 -0.36 1.08 -1.61 0.23 0.00 0.00 176.35 175.70 1wuz s GLU 29 N -3.76 4.59 0.20 1.70 8.01 -1.26 -4.78 118.70 123.40 1wuz s GLU 29 Ca 0.21 1.67 -0.05 0.00 0.01 0.00 0.00 54.97 56.81 1wuz s GLU 29 Cb 0.03 -3.30 0.14 0.00 -4.31 0.00 0.00 34.13 26.69 1wuz s GLU 29 CO 0.04 0.06 1.59 -0.07 0.01 0.00 0.00 175.26 176.89 1wuz h LEU 30 N 5.38 0.80 -0.37 1.80 -0.00 -1.92 -2.44 115.31 118.56 1wuz h LEU 30 Ca -0.44 -0.32 0.00 0.00 -0.00 0.00 0.00 57.88 57.13 1wuz h LEU 30 Cb 1.21 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.65 1wuz h LEU 30 CO 0.73 1.04 0.00 0.35 -0.00 0.00 0.00 178.44 180.56 1wuz n THR 31 N -4.09 0.05 0.25 0.22 -2.24 -1.26 -3.11 114.28 104.11 1wuz n THR 31 Ca -0.01 -0.11 0.04 0.00 -2.27 0.00 0.00 64.05 61.70 1wuz n THR 31 Cb 0.47 -0.08 0.05 0.00 -2.10 0.00 0.00 70.33 68.66 1wuz n THR 31 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1wuz n GLU 32 N -0.45 0.60 -0.16 -0.78 -0.58 -0.94 -4.61 120.64 113.72 1wuz n GLU 32 Ca 0.17 -1.14 -0.10 0.00 -0.42 0.00 0.00 57.16 55.67 1wuz n GLU 32 Cb 0.17 -1.16 -0.00 0.00 -0.57 0.00 0.00 31.44 29.87 1wuz n GLU 32 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1wuz h LEU 33 N 1.54 0.75 0.23 -4.62 3.38 -1.44 -0.80 115.31 114.36 1wuz h LEU 33 Ca 0.00 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.69 1wuz h LEU 33 Cb 0.39 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1wuz h LEU 33 CO 0.00 0.85 -0.43 0.58 0.09 0.00 0.00 178.44 179.53 1wuz h VAL 34 N 0.63 0.14 0.00 1.22 2.07 -1.81 -1.50 116.25 116.99 1wuz h VAL 34 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 1wuz h VAL 34 Cb 0.44 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1wuz h VAL 34 CO 0.02 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.16 1wuz h PRO 35 N -0.74 0.00 -0.01 1.57 0.13 -1.86 -2.29 132.00 128.80 1wuz h PRO 35 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1wuz h PRO 35 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1wuz h PRO 35 CO -0.18 0.00 -0.01 0.54 -0.23 0.00 0.00 178.00 178.12 1wuz n ARG 36 N -2.49 1.47 -3.57 0.86 1.74 -0.31 -4.91 116.66 109.45 1wuz n ARG 36 Ca 0.02 -0.71 -0.23 0.00 -0.77 0.00 0.00 57.85 56.16 1wuz n ARG 36 Cb 0.25 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.25 1wuz n ARG 36 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1wuz n LEU 37 N -0.15 -3.69 -4.73 0.55 7.99 -0.80 -2.27 117.00 113.90 1wuz n LEU 37 Ca 0.20 -0.85 -0.41 0.00 -0.01 0.00 0.00 56.01 54.94 1wuz n LEU 37 Cb 0.29 -2.73 -0.04 0.00 -0.11 0.00 0.00 43.42 40.83 1wuz n LEU 37 CO 0.17 0.35 0.58 0.12 -1.51 0.00 0.00 177.39 177.10 1wuz s PHE 38 N -3.52 3.73 -0.06 -1.77 2.19 -1.02 -2.41 117.98 115.12 1wuz s PHE 38 Ca 0.27 1.62 -0.21 0.00 0.33 0.00 0.00 56.93 58.94 1wuz s PHE 38 Cb -0.07 -2.97 0.04 0.00 -1.31 0.00 0.00 43.02 38.72 1wuz s PHE 38 CO 0.81 0.18 0.48 1.03 1.83 0.00 0.00 175.22 179.54 1wuz s ARG 39 N 0.26 0.80 0.03 10.12 3.00 0.08 -4.99 118.95 128.25 1wuz s ARG 39 Ca 0.44 0.12 0.00 0.00 0.00 0.00 0.00 55.73 56.29 1wuz s ARG 39 Cb -0.21 0.37 -0.04 0.00 0.00 0.00 0.00 34.95 35.07 1wuz s ARG 39 CO 0.26 -0.22 0.12 0.08 0.00 0.00 0.00 175.30 175.54 1wuz s VAL 40 N -1.02 4.87 0.21 3.52 1.01 -1.26 -0.56 120.40 127.17 1wuz s VAL 40 Ca -0.10 -0.48 -0.17 0.00 0.00 0.00 0.00 61.98 61.23 1wuz s VAL 40 Cb -0.03 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 33.08 1wuz s VAL 40 CO 0.06 0.25 0.53 0.00 0.00 0.00 0.00 175.10 175.94 1wuz s ALA 41 N -1.32 -0.89 0.08 5.51 0.00 -0.53 -4.82 121.76 119.80 1wuz s ALA 41 Ca 0.27 -0.29 -0.15 0.00 0.00 0.00 0.00 51.96 51.79 1wuz s ALA 41 Cb -0.12 0.87 0.03 0.00 0.00 0.00 0.00 23.12 23.90 1wuz s ALA 41 CO 0.19 -0.83 0.36 0.45 0.00 0.00 0.00 175.76 175.93 1wuz s SER 42 N -2.89 -0.18 -0.13 0.00 0.15 -1.25 -1.52 113.70 107.87 1wuz s SER 42 Ca 0.11 -0.25 -0.13 0.00 0.70 0.00 0.00 55.95 56.37 1wuz s SER 42 Cb -0.01 0.42 -0.25 0.00 -1.71 0.00 0.00 66.02 64.47 1wuz s SER 42 CO -0.01 -0.74 0.39 0.50 1.20 0.00 0.00 173.24 174.58 1wuz h LYS 43 N 2.76 0.20 0.00 5.44 3.64 -1.93 -3.08 116.57 123.60 1wuz h LYS 43 Ca -0.33 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 58.71 1wuz h LYS 43 Cb 1.22 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1wuz h LYS 43 CO 0.47 1.16 0.00 -0.25 -2.27 0.00 0.00 179.45 178.56 1wuz n ASP 44 N -3.83 0.00 -0.00 4.20 9.92 -1.26 -4.45 116.55 121.13 1wuz n ASP 44 Ca -0.30 0.73 0.01 0.00 -0.53 0.00 0.00 54.79 54.71 1wuz n ASP 44 Cb 0.92 -0.23 -0.02 0.00 -0.64 0.00 0.00 41.12 41.15 1wuz n ASP 44 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1wuz n ARG 45 N -1.50 1.31 -0.54 -1.24 1.74 -1.26 -5.00 116.66 110.16 1wuz n ARG 45 Ca 0.00 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 1wuz n ARG 45 Cb 0.00 -0.98 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1wuz n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wuz n GLY 46 N 2.08 1.64 2.27 -0.13 0.00 -1.16 -4.90 105.19 104.98 1wuz n GLY 46 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 1wuz n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1wuz n ASP 47 N 0.00 1.10 -0.09 1.61 2.03 -1.26 -3.86 116.55 116.09 1wuz n ASP 47 Ca 0.00 -2.93 -0.23 0.00 0.52 0.00 0.00 54.79 52.16 1wuz n ASP 47 Cb 0.00 -0.64 -0.12 0.00 -0.72 0.00 0.00 41.12 39.64 1wuz n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1wuz n LEU 48 N 1.00 2.38 0.00 -2.67 4.77 -1.26 -4.35 117.00 116.87 1wuz n LEU 48 Ca 0.24 0.20 -0.10 0.00 -0.03 0.00 0.00 56.01 56.32 1wuz n LEU 48 Cb 0.53 -0.96 -0.01 0.00 -2.33 0.00 0.00 43.42 40.64 1wuz n LEU 48 CO 0.23 0.68 0.20 0.18 -1.33 0.00 0.00 177.39 177.34 1wuz n LEU 49 N -3.83 0.00 -3.66 2.23 4.32 -1.26 -2.36 117.00 112.44 1wuz n LEU 49 Ca -0.41 -2.13 -0.15 0.00 -0.02 0.00 0.00 56.01 53.30 1wuz n LEU 49 Cb 0.91 2.18 -0.08 0.00 -1.62 0.00 0.00 43.42 44.81 1wuz n LEU 49 CO 0.24 -0.54 0.21 -1.61 -1.22 0.00 0.00 177.39 174.47 1wuz s GLU 50 N -2.48 0.77 -0.05 3.23 2.02 -1.08 -4.76 118.70 116.35 1wuz s GLU 50 Ca 0.20 0.23 -0.04 0.00 0.02 0.00 0.00 54.97 55.37 1wuz s GLU 50 Cb -0.01 0.36 -0.04 0.00 0.10 0.00 0.00 34.13 34.54 1wuz s GLU 50 CO 0.14 -0.20 0.17 0.54 0.02 0.00 0.00 175.26 175.94 1wuz s VAL 51 N -0.79 5.45 -0.24 2.63 0.11 -1.26 -2.27 120.40 124.03 1wuz s VAL 51 Ca -0.09 -0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 58.85 1wuz s VAL 51 Cb -0.03 -3.49 -0.05 0.00 -1.53 0.00 0.00 36.38 31.28 1wuz s VAL 51 CO 0.05 0.43 0.16 0.21 -3.33 0.00 0.00 175.10 172.62 1wuz s ASN 52 N -1.60 6.07 0.00 3.54 2.47 -1.06 -4.95 114.94 119.41 1wuz s ASN 52 Ca 0.23 0.09 0.18 0.00 0.42 0.00 0.00 52.86 53.78 1wuz s ASN 52 Cb -0.12 -2.10 0.80 0.00 -1.45 0.00 0.00 41.25 38.38 1wuz s ASN 52 CO 0.13 0.06 1.55 0.18 -3.72 0.00 0.00 177.10 175.30 1wuz n LEU 53 N 4.33 0.00 0.30 3.21 4.32 -1.26 -0.01 117.00 127.90 1wuz n LEU 53 Ca -0.15 0.42 -0.12 0.00 -0.02 0.00 0.00 56.01 56.14 1wuz n LEU 53 Cb 0.52 -0.42 -0.06 0.00 -1.62 0.00 0.00 43.42 41.84 1wuz n LEU 53 CO 0.35 -0.17 0.42 -0.61 -1.22 0.00 0.00 177.39 176.16 1wuz h GLN 54 N 0.00 -0.76 0.00 3.23 4.15 -1.92 -3.41 115.11 116.40 1wuz h GLN 54 Ca 0.00 0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1wuz h GLN 54 Cb 0.25 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.11 1wuz h GLN 54 CO 0.00 -0.51 -1.10 -1.71 -1.93 0.00 0.00 178.83 173.58 1wuz n ASN 55 N -4.57 4.27 0.00 -0.69 5.15 -1.23 -4.97 115.26 113.22 1wuz n ASN 55 Ca -0.10 -0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.87 1wuz n ASN 55 Cb 0.31 1.12 0.00 0.00 -0.53 0.00 0.00 39.78 40.69 1wuz n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wuz n GLY 56 N 2.31 2.34 3.60 8.20 0.00 0.99 -4.91 105.19 117.72 1wuz n GLY 56 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1wuz n GLY 56 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1wuz n ILE 57 N -1.71 2.78 -3.48 -0.61 0.13 -1.26 -3.34 119.36 111.88 1wuz n ILE 57 Ca 0.00 -0.50 -0.39 0.00 -1.10 0.00 0.00 62.75 60.76 1wuz n ILE 57 Cb 0.00 -1.12 -0.10 0.00 -0.84 0.00 0.00 39.64 37.58 1wuz n ILE 57 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 1wuz s LEU 58 N -0.87 4.13 0.27 9.51 1.98 -1.19 -2.55 118.68 129.97 1wuz s LEU 58 Ca 0.67 0.04 0.07 0.00 -2.89 0.00 0.00 54.13 52.02 1wuz s LEU 58 Cb -0.50 -2.28 -0.03 0.00 0.66 0.00 0.00 46.19 44.04 1wuz s LEU 58 CO 0.54 -0.16 0.20 0.72 -1.89 0.00 0.00 176.35 175.76 1wuz s PHE 59 N 1.92 3.03 0.38 5.38 -0.71 -0.96 -1.60 117.98 125.42 1wuz s PHE 59 Ca 0.11 -0.16 -0.25 0.00 -1.04 0.00 0.00 56.93 55.59 1wuz s PHE 59 Cb -0.16 -1.48 -0.09 0.00 -1.21 0.00 0.00 43.02 40.08 1wuz s PHE 59 CO 0.11 0.45 1.06 0.08 -1.34 0.00 0.00 175.22 175.57 1wuz s VAL 60 N -2.19 3.69 -0.33 -2.49 1.01 -0.85 -2.64 120.40 116.59 1wuz s VAL 60 Ca 0.35 1.35 0.16 0.00 0.00 0.00 0.00 61.98 63.83 1wuz s VAL 60 Cb -0.07 -3.72 0.44 0.00 0.00 0.00 0.00 36.38 33.03 1wuz s VAL 60 CO 0.25 0.06 1.19 -3.20 0.00 0.00 0.00 175.10 173.40 1wuz n ASN 61 N 0.11 0.08 -0.94 3.32 5.15 -0.99 -1.82 115.26 120.16 1wuz n ASN 61 Ca 0.04 -2.43 0.00 0.00 -0.60 0.00 0.00 54.58 51.59 1wuz n ASN 61 Cb 0.49 0.10 0.00 0.00 -0.53 0.00 0.00 39.78 39.84 1wuz n ASN 61 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1wuz n SER 62 N -0.54 0.00 -4.60 1.20 3.41 -1.02 -4.10 113.62 107.96 1wuz n SER 62 Ca 0.01 -0.94 -0.43 0.00 -0.26 0.00 0.00 58.87 57.25 1wuz n SER 62 Cb 0.83 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.75 1wuz n SER 62 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1wuz s ARG 63 N -1.83 3.83 -0.01 4.33 1.81 -1.26 -4.74 118.95 121.07 1wuz s ARG 63 Ca 0.00 0.56 0.13 0.00 -1.72 0.00 0.00 55.73 54.70 1wuz s ARG 63 Cb 0.00 -3.80 -0.18 0.00 -0.45 0.00 0.00 34.95 30.51 1wuz s ARG 63 CO 0.00 -0.94 0.34 -0.89 -0.68 0.00 0.00 175.30 173.13 1wuz n ILE 64 N 5.97 0.00 -1.74 1.52 2.08 -1.26 -4.12 119.36 121.80 1wuz n ILE 64 Ca 0.07 -0.27 -0.39 0.00 0.56 0.00 0.00 62.75 62.71 1wuz n ILE 64 Cb 0.48 0.40 0.03 0.00 -0.75 0.00 0.00 39.64 39.80 1wuz n ILE 64 CO 0.00 0.00 0.00 -0.90 0.56 0.00 0.00 176.55 176.21 1wuz n ASP 65 N -1.79 2.82 -0.32 4.38 5.68 -1.26 -3.72 116.55 122.35 1wuz n ASP 65 Ca -0.01 1.04 0.36 0.00 -0.50 0.00 0.00 54.79 55.67 1wuz n ASP 65 Cb 0.30 -1.57 0.74 0.00 -1.14 0.00 0.00 41.12 39.45 1wuz n ASP 65 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 1wuz h ARG 66 N 1.79 0.00 0.01 0.11 -0.00 -1.94 0.48 114.38 114.83 1wuz h ARG 66 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.48 1wuz h ARG 66 Cb 1.29 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 31.26 1wuz h ARG 66 CO 0.59 0.00 -0.06 0.93 -0.00 0.00 0.00 179.97 181.43 1wuz h GLU 67 N 0.00 -0.08 0.17 0.08 4.39 -1.89 0.45 114.58 117.69 1wuz h GLU 67 Ca 0.57 0.01 -0.32 0.00 0.34 0.00 0.00 59.36 59.95 1wuz h GLU 67 Cb 2.39 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 31.07 1wuz h GLU 67 CO -0.01 -0.06 -1.55 0.93 -1.16 0.00 0.00 179.01 177.17 1wuz h GLU 68 N -0.09 0.36 0.00 2.33 3.07 -1.72 -3.39 114.58 115.14 1wuz h GLU 68 Ca -0.00 -0.62 0.00 0.00 -0.50 0.00 0.00 59.36 58.24 1wuz h GLU 68 Cb 0.09 0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1wuz h GLU 68 CO -0.03 1.26 0.00 -0.11 -1.40 0.00 0.00 179.01 178.73 1wuz n LEU 69 N -3.56 0.00 0.11 1.33 -0.00 0.16 -4.87 117.00 110.17 1wuz n LEU 69 Ca -0.18 0.95 0.00 0.00 -0.00 0.00 0.00 56.01 56.79 1wuz n LEU 69 Cb 1.07 -0.45 0.00 0.00 -0.00 0.00 0.00 43.42 44.03 1wuz n LEU 69 CO 0.54 -0.45 0.00 0.00 -0.00 0.00 0.00 177.39 177.47 1wuz n GLY 71 N -0.97 1.07 2.78 0.00 0.00 0.15 -4.75 105.19 103.48 1wuz n GLY 71 Ca 0.00 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 1wuz n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuz n ARG 72 N 0.00 2.49 -3.33 1.61 5.12 -1.26 -4.74 116.66 116.54 1wuz n ARG 72 Ca 0.00 -2.24 -0.02 0.00 -1.93 0.00 0.00 57.85 53.65 1wuz n ARG 72 Cb 0.00 -3.06 -0.05 0.00 -1.16 0.00 0.00 32.46 28.19 1wuz n ARG 72 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1wuz s SER 73 N 3.63 -0.70 0.54 0.55 0.15 -1.26 -5.01 113.70 111.60 1wuz s SER 73 Ca 0.52 0.76 0.30 0.00 0.70 0.00 0.00 55.95 58.24 1wuz s SER 73 Cb 0.14 1.75 1.47 0.00 -1.71 0.00 0.00 66.02 67.67 1wuz s SER 73 CO -0.02 -0.27 1.91 0.00 1.20 0.00 0.00 173.24 176.06 1wuz h ALA 74 N 8.08 2.77 -1.50 5.45 0.00 -1.94 -3.40 119.26 128.72 1wuz h ALA 74 Ca -0.20 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 54.78 1wuz h ALA 74 Cb 1.15 0.06 -0.21 0.00 0.00 0.00 0.00 17.79 18.79 1wuz h ALA 74 CO 0.23 -1.02 -0.08 -1.21 0.00 0.00 0.00 179.25 177.17 1wuz s GLU 75 N -4.97 0.50 -0.02 0.00 2.02 -1.26 -4.65 118.70 110.32 1wuz s GLU 75 Ca -0.05 1.17 0.03 0.00 0.02 0.00 0.00 54.97 56.14 1wuz s GLU 75 Cb 0.21 0.69 -0.03 0.00 0.10 0.00 0.00 34.13 35.10 1wuz s GLU 75 CO 0.76 -0.28 -0.09 0.00 0.02 0.00 0.00 175.26 175.67 1wuz s SER 77 N -1.11 5.35 0.01 0.00 0.01 -1.26 -2.53 113.70 114.17 1wuz s SER 77 Ca 0.14 -0.10 0.05 0.00 1.31 0.00 0.00 55.95 57.36 1wuz s SER 77 Cb -0.11 -1.37 -0.02 0.00 0.21 0.00 0.00 66.02 64.73 1wuz s SER 77 CO 0.04 0.15 -0.16 -0.63 0.41 0.00 0.00 173.24 173.05 1wuz s ILE 78 N -1.45 1.28 -0.02 1.44 1.09 -0.65 -5.02 121.20 117.88 1wuz s ILE 78 Ca 0.29 -0.86 0.05 0.00 -1.10 0.00 0.00 60.65 59.02 1wuz s ILE 78 Cb -0.11 -1.10 -0.03 0.00 -1.06 0.00 0.00 42.46 40.16 1wuz s ILE 78 CO 0.21 0.23 -0.16 -1.00 -0.10 0.00 0.00 174.94 174.12 1wuz s HIS 79 N -0.58 2.65 0.04 3.97 3.76 -1.26 -1.91 115.29 121.96 1wuz s HIS 79 Ca 0.05 -0.20 -0.04 0.00 -0.15 0.00 0.00 55.06 54.73 1wuz s HIS 79 Cb -0.07 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 32.02 1wuz s HIS 79 CO 0.00 0.20 0.05 -1.17 -0.85 0.00 0.00 174.74 172.98 1wuz s LEU 80 N -0.95 2.02 -0.16 0.89 0.20 0.87 -4.75 118.68 116.80 1wuz s LEU 80 Ca 0.13 -0.67 -0.01 0.00 0.69 0.00 0.00 54.13 54.27 1wuz s LEU 80 Cb -0.11 0.46 0.04 0.00 -0.43 0.00 0.00 46.19 46.16 1wuz s LEU 80 CO 0.02 -0.53 -0.05 -1.61 -0.29 0.00 0.00 176.35 173.90 1wuz s GLU 81 N -2.96 1.36 -0.46 1.98 2.02 -0.58 -2.17 118.70 117.89 1wuz s GLU 81 Ca -0.02 -0.48 -0.21 0.00 0.02 0.00 0.00 54.97 54.28 1wuz s GLU 81 Cb 0.01 -1.95 0.03 0.00 0.10 0.00 0.00 34.13 32.32 1wuz s GLU 81 CO -0.06 -0.43 0.69 0.08 0.02 0.00 0.00 175.26 175.55 1wuz s VAL 82 N 1.66 4.77 0.11 2.63 1.01 -1.01 -1.45 120.40 128.12 1wuz s VAL 82 Ca 0.01 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.75 1wuz s VAL 82 Cb -0.15 -4.27 -0.06 0.00 0.00 0.00 0.00 36.38 31.89 1wuz s VAL 82 CO -0.08 -0.71 0.90 -0.51 0.00 0.00 0.00 175.10 174.71 1wuz s ILE 83 N 2.96 4.51 0.01 2.22 -1.16 0.28 -1.51 121.20 128.50 1wuz s ILE 83 Ca 0.23 1.95 -0.08 0.00 -0.51 0.00 0.00 60.65 62.24 1wuz s ILE 83 Cb -0.15 -4.27 0.00 0.00 0.61 0.00 0.00 42.46 38.66 1wuz s ILE 83 CO 0.18 0.36 0.17 0.68 -2.81 0.00 0.00 174.94 173.51 1wuz s VAL 84 N -0.18 0.09 -0.25 4.00 -7.23 -0.56 -0.74 120.40 115.53 1wuz s VAL 84 Ca 0.44 -0.75 0.10 0.00 -1.81 0.00 0.00 61.98 59.96 1wuz s VAL 84 Cb -0.23 -0.60 0.46 0.00 0.56 0.00 0.00 36.38 36.57 1wuz s VAL 84 CO 0.28 -0.41 1.33 -0.67 -0.31 0.00 0.00 175.10 175.32 1wuz n ASP 85 N 1.19 2.08 0.00 4.85 2.03 -0.96 -1.41 116.55 124.34 1wuz n ASP 85 Ca -0.21 -3.86 0.00 0.00 0.52 0.00 0.00 54.79 51.23 1wuz n ASP 85 Cb 0.57 -0.57 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1wuz n ASP 85 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1wuz n ARG 86 N -1.12 0.00 -1.84 -0.67 5.12 -1.00 -4.22 116.66 112.93 1wuz n ARG 86 Ca 0.26 0.00 -0.33 0.00 -1.93 0.00 0.00 57.85 55.84 1wuz n ARG 86 Cb 0.84 0.00 0.04 0.00 -1.16 0.00 0.00 32.46 32.18 1wuz n ARG 86 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1wuz s PRO 87 N 0.00 2.89 -0.72 5.56 0.04 -1.26 -4.78 135.00 136.73 1wuz s PRO 87 Ca 0.00 1.42 -0.27 0.00 0.04 0.00 0.00 61.00 62.20 1wuz s PRO 87 Cb 0.00 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.60 1wuz s PRO 87 CO 0.00 -1.18 1.47 -1.17 0.04 0.00 0.00 177.00 176.15 1wuz s LEU 88 N -4.69 3.21 0.00 -3.56 0.20 -1.26 -4.59 118.68 107.99 1wuz s LEU 88 Ca 0.68 -0.29 0.00 0.00 0.69 0.00 0.00 54.13 55.21 1wuz s LEU 88 Cb -0.21 -2.55 0.00 0.00 -0.43 0.00 0.00 46.19 43.00 1wuz s LEU 88 CO 0.39 -2.00 0.00 0.00 -0.29 0.00 0.00 176.35 174.46 1wuz n GLN 89 N 9.29 -1.18 -4.38 1.98 1.13 -0.50 -4.97 117.38 118.75 1wuz n GLN 89 Ca 0.10 0.00 -0.27 0.00 -1.94 0.00 0.00 57.00 54.89 1wuz n GLN 89 Cb 0.50 0.00 -0.11 0.00 0.11 0.00 0.00 30.24 30.74 1wuz n GLN 89 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 1wuz s VAL 90 N -2.96 2.62 -0.12 5.09 1.01 -1.26 -1.49 120.40 123.29 1wuz s VAL 90 Ca 0.00 -1.91 0.01 0.00 0.00 0.00 0.00 61.98 60.08 1wuz s VAL 90 Cb 0.00 -2.27 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 1wuz s VAL 90 CO 0.00 -0.11 -0.17 -0.36 0.00 0.00 0.00 175.10 174.46 1wuz s PHE 91 N -1.68 2.73 -0.05 5.22 0.08 -0.57 -4.92 117.98 118.79 1wuz s PHE 91 Ca 0.22 -0.82 -0.30 0.00 0.12 0.00 0.00 56.93 56.15 1wuz s PHE 91 Cb -0.08 -1.81 -0.05 0.00 -0.57 0.00 0.00 43.02 40.51 1wuz s PHE 91 CO 0.12 -0.31 1.44 -1.58 -0.10 0.00 0.00 175.22 174.78 1wuz s HIS 92 N 0.42 2.61 -0.07 0.36 2.46 -0.54 -2.40 115.29 118.13 1wuz s HIS 92 Ca -0.12 0.69 0.01 0.00 0.47 0.00 0.00 55.06 56.11 1wuz s HIS 92 Cb -0.16 -3.70 0.02 0.00 -0.13 0.00 0.00 32.58 28.61 1wuz s HIS 92 CO 0.06 -2.67 -0.10 0.08 -2.47 0.00 0.00 174.74 169.65 1wuz s VAL 93 N 3.09 0.99 -0.15 0.89 1.01 -0.92 -1.69 120.40 123.62 1wuz s VAL 93 Ca 0.64 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 1wuz s VAL 93 Cb -0.30 -0.94 0.04 0.00 0.00 0.00 0.00 36.38 35.18 1wuz s VAL 93 CO 0.25 0.33 -0.01 -0.70 0.00 0.00 0.00 175.10 174.97 1wuz s GLU 94 N 0.96 0.98 -0.17 2.72 2.12 -0.32 -0.09 118.70 124.90 1wuz s GLU 94 Ca -0.09 -0.30 -0.02 0.00 0.36 0.00 0.00 54.97 54.91 1wuz s GLU 94 Cb -0.15 -1.73 -0.02 0.00 0.26 0.00 0.00 34.13 32.50 1wuz s GLU 94 CO 0.00 -0.45 -0.07 0.14 -0.54 0.00 0.00 175.26 174.34 1wuz s VAL 95 N 1.80 3.41 0.19 3.70 -7.23 -0.80 -0.37 120.40 121.10 1wuz s VAL 95 Ca 0.02 -0.51 -0.00 0.00 -1.81 0.00 0.00 61.98 59.67 1wuz s VAL 95 Cb -0.15 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.26 1wuz s VAL 95 CO -0.07 0.48 0.37 -1.83 -0.31 0.00 0.00 175.10 173.74 1wuz s GLU 96 N 0.76 3.51 -0.36 4.82 -1.05 -1.09 -1.63 118.70 123.65 1wuz s GLU 96 Ca -0.03 -0.37 -0.13 0.00 -0.15 0.00 0.00 54.97 54.29 1wuz s GLU 96 Cb -0.15 -2.86 -0.00 0.00 -0.44 0.00 0.00 34.13 30.68 1wuz s GLU 96 CO 0.02 0.42 0.25 0.14 0.95 0.00 0.00 175.26 177.04 1wuz s VAL 97 N -1.84 5.15 -0.42 1.83 -7.23 -1.05 -2.41 120.40 114.42 1wuz s VAL 97 Ca 0.38 -0.44 -0.24 0.00 -1.81 0.00 0.00 61.98 59.87 1wuz s VAL 97 Cb -0.11 -3.73 0.02 0.00 0.56 0.00 0.00 36.38 33.12 1wuz s VAL 97 CO 0.29 -0.12 0.85 -0.60 -0.31 0.00 0.00 175.10 175.21 1wuz s ARG 98 N 1.68 3.58 0.00 4.82 3.00 -1.04 -4.49 118.95 126.51 1wuz s ARG 98 Ca 0.05 0.17 0.00 0.00 -1.00 0.00 0.00 55.73 54.95 1wuz s ARG 98 Cb -0.18 -3.89 0.00 0.00 0.00 0.00 0.00 34.95 30.88 1wuz s ARG 98 CO 0.10 -1.07 0.00 -3.47 0.00 0.00 0.00 175.30 170.85 1wuz n ASP 99 N 6.82 0.00 -4.11 -2.12 2.03 -1.26 -2.06 116.55 115.84 1wuz n ASP 99 Ca 0.04 -0.97 -0.11 0.00 0.52 0.00 0.00 54.79 54.27 1wuz n ASP 99 Cb 0.48 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.78 1wuz n ASP 99 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1wuz s ILE 100 N -2.02 0.54 0.18 5.18 1.09 -1.26 -4.84 121.20 120.07 1wuz s ILE 100 Ca 0.00 -1.59 -0.13 0.00 -1.10 0.00 0.00 60.65 57.83 1wuz s ILE 100 Cb 0.00 -1.24 0.07 0.00 -1.06 0.00 0.00 42.46 40.24 1wuz s ILE 100 CO 0.00 -0.72 1.82 0.78 -0.10 0.00 0.00 174.94 176.72 1wuz h ASN 101 N 3.57 0.52 0.24 3.58 2.35 -1.85 -1.36 115.58 122.64 1wuz h ASN 101 Ca -0.35 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.37 1wuz h ASN 101 Cb 1.18 -0.11 -0.00 0.00 0.05 0.00 0.00 38.32 39.43 1wuz h ASN 101 CO 0.56 0.37 -0.13 -0.78 -1.65 0.00 0.00 177.43 175.80 1wuz h ASP 102 N 0.64 0.00 0.00 5.81 3.58 -1.97 -3.49 116.42 120.99 1wuz h ASP 102 Ca 0.21 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1wuz h ASP 102 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 1wuz h ASP 102 CO -0.09 0.13 0.00 -3.20 -2.88 0.00 0.00 179.24 173.20