#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 -0.61 -0.09 1.61 4.22 -1.26 -5.02 114.94 113.79 1wuz s ASN 2 Ca 0.00 0.72 0.17 0.00 -2.14 0.00 0.00 52.86 51.61 1wuz s ASN 2 Cb 0.00 1.69 0.36 0.00 1.28 0.00 0.00 41.25 44.58 1wuz s ASN 2 CO 0.00 -0.27 1.17 -1.54 -2.04 0.00 0.00 177.10 174.42 1wuz n SER 3 N 5.40 1.29 -4.50 3.54 3.41 -1.26 -5.02 113.62 116.48 1wuz n SER 3 Ca -0.04 -2.82 -0.42 0.00 -0.26 0.00 0.00 58.87 55.33 1wuz n SER 3 Cb 0.50 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.03 1wuz n SER 3 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1wuz s GLN 4 N -1.49 3.17 -0.00 4.33 -1.52 -1.26 -1.49 119.66 121.39 1wuz s GLN 4 Ca 0.31 -0.62 0.03 0.00 -1.95 0.00 0.00 55.36 53.13 1wuz s GLN 4 Cb 0.32 -4.26 -0.01 0.00 -0.22 0.00 0.00 33.01 28.84 1wuz s GLN 4 CO -0.09 -1.97 -0.09 0.42 -0.25 0.00 0.00 175.29 173.31 1wuz s ILE 5 N 4.77 0.71 0.03 1.08 -1.09 -0.60 -5.05 121.20 121.05 1wuz s ILE 5 Ca 0.29 -0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 1wuz s ILE 5 Cb -0.12 -0.60 -0.02 0.00 -1.58 0.00 0.00 42.46 40.13 1wuz s ILE 5 CO 0.11 0.17 -0.04 -1.38 -1.23 0.00 0.00 174.94 172.57 1wuz s HIS 6 N -0.27 0.33 0.40 3.97 -3.43 -1.26 -1.07 115.29 113.96 1wuz s HIS 6 Ca 0.03 -0.56 0.07 0.00 -0.80 0.00 0.00 55.06 53.80 1wuz s HIS 6 Cb -0.04 -0.23 -0.08 0.00 -1.43 0.00 0.00 32.58 30.80 1wuz s HIS 6 CO -0.00 -0.19 0.01 0.71 -2.00 0.00 0.00 174.74 173.27 1wuz s TYR 7 N -1.60 2.48 -0.08 0.38 2.02 0.31 -4.90 117.35 115.97 1wuz s TYR 7 Ca -0.14 -0.68 0.02 0.00 -0.37 0.00 0.00 57.07 55.90 1wuz s TYR 7 Cb -0.09 -1.73 0.02 0.00 -0.40 0.00 0.00 41.96 39.75 1wuz s TYR 7 CO -0.01 0.43 -0.12 -1.12 -1.57 0.00 0.00 175.55 173.15 1wuz s SER 8 N -3.69 1.97 -0.15 2.29 0.01 -1.00 -2.72 113.70 110.40 1wuz s SER 8 Ca 0.35 -0.32 -0.06 0.00 1.31 0.00 0.00 55.95 57.23 1wuz s SER 8 Cb 0.10 -0.88 0.07 0.00 0.21 0.00 0.00 66.02 65.52 1wuz s SER 8 CO 0.18 0.00 0.32 -0.51 0.41 0.00 0.00 173.24 173.64 1wuz s ILE 9 N 0.90 -0.44 0.29 1.44 2.07 -1.06 -4.59 121.20 119.81 1wuz s ILE 9 Ca -0.10 0.23 -0.29 0.00 -1.41 0.00 0.00 60.65 59.08 1wuz s ILE 9 Cb -0.15 -0.52 -0.10 0.00 0.13 0.00 0.00 42.46 41.82 1wuz s ILE 9 CO 0.01 0.09 1.24 -2.16 -1.91 0.00 0.00 174.94 172.21 1wuz s PRO 10 N 2.34 4.45 1.01 3.50 0.04 -1.26 -2.12 135.00 142.97 1wuz s PRO 10 Ca -0.01 2.05 -0.17 0.00 0.04 0.00 0.00 61.00 62.91 1wuz s PRO 10 Cb -0.12 -3.14 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 1wuz s PRO 10 CO -0.10 -0.08 -0.20 0.39 0.04 0.00 0.00 177.00 177.06 1wuz n GLU 11 N 1.32 -0.56 -2.05 4.56 1.02 -0.90 -3.00 120.64 121.02 1wuz n GLU 11 Ca 0.01 -0.14 -0.16 0.00 -0.02 0.00 0.00 57.16 56.85 1wuz n GLU 11 Cb 0.43 -1.53 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 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 -0.44 -1.21 -2.52 3.49 2.13 -1.14 -4.92 120.64 116.03 1wuz n GLU 12 Ca 0.02 0.85 -0.41 0.00 0.66 0.00 0.00 57.16 58.29 1wuz n GLU 12 Cb 0.59 -5.17 -0.03 0.00 0.27 0.00 0.00 31.44 27.11 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 -2.73 2.69 0.60 4.31 0.00 -1.16 -4.90 121.76 120.57 1wuz s ALA 13 Ca 0.00 -1.61 -0.18 0.00 0.00 0.00 0.00 51.96 50.18 1wuz s ALA 13 Cb 0.00 -4.35 -0.07 0.00 0.00 0.00 0.00 23.12 18.70 1wuz s ALA 13 CO 0.00 -3.45 0.68 0.36 0.00 0.00 0.00 175.76 173.35 1wuz n LYS 14 N 9.21 0.61 -1.66 0.00 0.00 -1.26 -4.58 118.16 120.48 1wuz n LYS 14 Ca 0.14 0.24 -0.51 0.00 -0.00 0.00 0.00 58.31 58.17 1wuz n LYS 14 Cb 0.50 -1.88 -0.06 0.00 -0.00 0.00 0.00 35.03 33.59 1wuz n LYS 14 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1wuz n HIS 15 N -1.81 1.98 0.00 5.58 8.25 -1.26 -1.80 115.22 126.16 1wuz n HIS 15 Ca 0.12 0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.99 1wuz n HIS 15 Cb 0.48 -2.48 0.00 0.00 1.12 0.00 0.00 29.99 29.11 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 3.52 0.92 3.75 -1.41 0.00 -0.87 -4.87 105.19 106.22 1wuz n GLY 16 Ca 0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.83 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 4.53 0.61 2.61 2.01 -0.75 -4.62 115.64 118.04 1wuz s THR 17 Ca 0.00 1.76 -0.19 0.00 0.31 0.00 0.00 61.69 63.57 1wuz s THR 17 Cb 0.00 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 1wuz s THR 17 CO 0.00 0.42 1.30 0.33 -0.69 0.00 0.00 174.62 175.98 1wuz n PHE 18 N 2.33 2.02 0.01 4.92 7.35 -1.25 -1.78 117.46 131.06 1wuz n PHE 18 Ca -0.03 0.42 0.00 0.00 -0.76 0.00 0.00 57.45 57.09 1wuz n PHE 18 Cb 0.49 -2.30 0.00 0.00 0.35 0.00 0.00 39.48 38.03 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 -1.59 0.12 0.00 -2.13 0.31 0.41 -4.82 118.33 110.63 1wuz n VAL 19 Ca 0.14 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 1wuz n VAL 19 Cb 0.47 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.27 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 2.47 1.59 3.57 2.92 0.00 -1.26 -2.39 105.19 112.10 1wuz n GLY 20 Ca 0.00 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.21 1wuz n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1wuz s ARG 21 N -2.00 3.19 0.07 1.61 3.52 -1.26 -2.63 118.95 121.45 1wuz s ARG 21 Ca 0.00 0.49 -0.16 0.00 -0.13 0.00 0.00 55.73 55.93 1wuz s ARG 21 Cb 0.00 -4.17 -0.14 0.00 -1.56 0.00 0.00 34.95 29.08 1wuz s ARG 21 CO 0.00 -2.07 1.32 0.97 -0.81 0.00 0.00 175.30 174.70 1wuz h ILE 22 N 6.46 1.33 0.14 4.11 2.10 -1.93 -2.50 117.51 127.22 1wuz h ILE 22 Ca -0.27 -1.71 -0.01 0.00 1.08 0.00 0.00 64.86 63.95 1wuz h ILE 22 Cb 1.10 1.92 0.00 0.00 -1.09 0.00 0.00 36.82 38.76 1wuz h ILE 22 CO 1.18 0.53 -0.07 0.00 -1.08 0.00 0.00 178.15 178.71 1wuz h ALA 23 N 0.58 -0.19 -1.00 0.18 0.00 -1.89 -0.47 119.26 116.46 1wuz h ALA 23 Ca -0.01 -0.22 0.15 0.00 0.00 0.00 0.00 54.91 54.83 1wuz h ALA 23 Cb 1.08 0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.85 1wuz h ALA 23 CO 0.10 -0.36 0.62 0.37 0.00 0.00 0.00 179.25 179.98 1wuz h GLN 24 N -0.68 0.86 0.00 0.00 5.75 -1.84 0.29 115.11 119.49 1wuz h GLN 24 Ca -0.02 -0.05 -0.17 0.00 -0.15 0.00 0.00 58.65 58.26 1wuz h GLN 24 Cb 0.50 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.83 1wuz h GLN 24 CO 0.03 0.57 -0.81 -0.44 -2.65 0.00 0.00 178.83 175.54 1wuz h ASP 25 N 0.89 0.03 -0.18 -0.69 5.19 -1.44 -3.24 116.42 116.97 1wuz h ASP 25 Ca 0.53 -0.02 -0.21 0.00 -0.62 0.00 0.00 57.03 56.71 1wuz h ASP 25 Cb 0.67 -0.01 0.01 0.00 0.18 0.00 0.00 39.33 40.18 1wuz h ASP 25 CO -0.31 0.82 -0.69 -0.07 -3.12 0.00 0.00 179.24 175.87 1wuz h LEU 26 N 0.01 0.94 -0.36 1.55 4.07 0.83 -3.48 115.31 118.87 1wuz h LEU 26 Ca -0.01 -0.57 0.00 0.00 0.08 0.00 0.00 57.88 57.37 1wuz h LEU 26 Cb 1.42 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 42.89 1wuz h LEU 26 CO 0.11 1.37 0.00 0.61 -1.08 0.00 0.00 178.44 179.45 1wuz n GLY 27 N 0.57 0.92 3.31 0.83 0.00 0.78 -5.08 105.19 106.51 1wuz n GLY 27 Ca -0.06 -0.21 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 1wuz n GLY 27 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1wuz s LEU 28 N -0.36 1.89 -0.17 0.99 0.05 -1.21 -5.08 118.68 114.78 1wuz s LEU 28 Ca 0.00 -1.30 -0.25 0.00 0.05 0.00 0.00 54.13 52.63 1wuz s LEU 28 Cb 0.00 -0.07 -0.01 0.00 -2.05 0.00 0.00 46.19 44.05 1wuz s LEU 28 CO 0.00 -0.64 0.83 -0.70 -0.55 0.00 0.00 176.35 175.29 1wuz s GLU 29 N -3.96 4.29 0.65 1.48 2.56 -1.26 -4.70 118.70 117.76 1wuz s GLU 29 Ca 0.32 1.02 0.43 0.00 0.00 0.00 0.00 54.97 56.74 1wuz s GLU 29 Cb 0.07 -3.58 2.29 0.00 2.00 0.00 0.00 34.13 34.91 1wuz s GLU 29 CO 0.10 -0.34 2.32 -0.07 -0.56 0.00 0.00 175.26 176.71 1wuz h LEU 30 N 8.38 0.00 -0.47 2.70 3.38 -1.96 0.68 115.31 128.02 1wuz h LEU 30 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 1wuz h LEU 30 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1wuz h LEU 30 CO 0.84 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.72 1wuz n THR 31 N -3.09 0.07 0.03 0.22 -2.24 -1.26 -3.20 114.28 104.82 1wuz n THR 31 Ca -0.02 -0.14 0.02 0.00 -2.27 0.00 0.00 64.05 61.63 1wuz n THR 31 Cb 0.10 -0.01 0.04 0.00 -2.10 0.00 0.00 70.33 68.36 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 -0.35 1.55 -0.15 -0.78 1.02 0.23 -4.65 120.64 117.51 1wuz n GLU 32 Ca 0.17 -1.30 -0.11 0.00 -0.02 0.00 0.00 57.16 55.90 1wuz n GLU 32 Cb 0.19 -1.09 -0.01 0.00 -0.02 0.00 0.00 31.44 30.51 1wuz n GLU 32 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1wuz h LEU 33 N 0.77 0.77 0.20 -4.62 3.38 -1.58 -1.19 115.31 113.04 1wuz h LEU 33 Ca 0.00 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.65 1wuz h LEU 33 Cb 0.41 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.91 1wuz h LEU 33 CO 0.00 0.92 -0.43 0.58 0.09 0.00 0.00 178.44 179.60 1wuz h VAL 34 N 0.61 0.14 0.00 1.22 2.07 -1.82 -1.39 116.25 117.08 1wuz h VAL 34 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1wuz h VAL 34 Cb 0.55 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 1wuz h VAL 34 CO 0.03 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.17 1wuz h PRO 35 N -0.72 0.00 -0.11 1.57 0.13 -1.88 -2.29 132.00 128.71 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 0.71 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.84 1wuz h PRO 35 CO -0.20 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.11 1wuz n ARG 36 N -2.48 1.69 -3.87 0.86 1.74 -0.45 -4.89 116.66 109.26 1wuz n ARG 36 Ca 0.02 -1.02 -0.33 0.00 -0.77 0.00 0.00 57.85 55.75 1wuz n ARG 36 Cb 0.24 -1.43 0.01 0.00 -1.02 0.00 0.00 32.46 30.27 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 0.24 -2.06 -4.75 0.55 7.99 -0.76 -1.26 117.00 116.95 1wuz n LEU 37 Ca 0.17 -1.08 -0.41 0.00 -0.01 0.00 0.00 56.01 54.68 1wuz n LEU 37 Cb 0.33 -2.15 -0.02 0.00 -0.11 0.00 0.00 43.42 41.47 1wuz n LEU 37 CO 0.14 0.53 1.08 0.12 -1.51 0.00 0.00 177.39 177.75 1wuz s PHE 38 N -3.67 3.04 -0.09 -1.77 5.36 -1.07 -2.77 117.98 117.00 1wuz s PHE 38 Ca 0.31 1.08 -0.15 0.00 -0.96 0.00 0.00 56.93 57.22 1wuz s PHE 38 Cb -0.13 -3.79 0.03 0.00 -0.34 0.00 0.00 43.02 38.80 1wuz s PHE 38 CO 0.90 -2.52 0.38 1.03 -1.46 0.00 0.00 175.22 173.55 1wuz s ARG 39 N -0.51 0.57 -0.03 10.12 1.81 0.17 -5.01 118.95 126.07 1wuz s ARG 39 Ca 0.58 0.26 -0.01 0.00 -1.72 0.00 0.00 55.73 54.84 1wuz s ARG 39 Cb -0.41 0.27 -0.04 0.00 -0.45 0.00 0.00 34.95 34.32 1wuz s ARG 39 CO 0.44 -0.12 0.07 0.08 -0.68 0.00 0.00 175.30 175.09 1wuz s VAL 40 N -0.43 4.72 -0.36 3.52 1.01 -1.26 -0.57 120.40 127.03 1wuz s VAL 40 Ca -0.06 -0.32 0.05 0.00 0.00 0.00 0.00 61.98 61.65 1wuz s VAL 40 Cb -0.03 -3.12 0.17 0.00 0.00 0.00 0.00 36.38 33.39 1wuz s VAL 40 CO 0.02 0.42 0.49 0.00 0.00 0.00 0.00 175.10 176.04 1wuz s ALA 41 N -1.12 -1.47 0.63 5.51 0.00 -0.46 -4.84 121.76 120.00 1wuz s ALA 41 Ca 0.20 -0.10 -0.13 0.00 0.00 0.00 0.00 51.96 51.93 1wuz s ALA 41 Cb -0.12 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 1wuz s ALA 41 CO 0.11 -2.05 1.04 0.45 0.00 0.00 0.00 175.76 175.31 1wuz s SER 42 N 1.96 5.83 -0.12 0.00 0.15 -1.25 -1.92 113.70 118.35 1wuz s SER 42 Ca 0.14 1.63 -0.05 0.00 0.70 0.00 0.00 55.95 58.37 1wuz s SER 42 Cb -0.10 -2.50 -0.26 0.00 -1.71 0.00 0.00 66.02 61.45 1wuz s SER 42 CO -0.13 -1.13 0.36 0.29 1.20 0.00 0.00 173.24 173.83 1wuz n LYS 43 N -2.51 0.75 0.00 5.44 4.76 -1.24 -3.22 118.16 122.14 1wuz n LYS 43 Ca 0.07 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.77 1wuz n LYS 43 Cb 0.53 -1.71 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1wuz n LYS 43 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1wuz n ASP 44 N -3.45 0.00 -0.00 4.39 8.00 -1.26 -4.49 116.55 119.74 1wuz n ASP 44 Ca -0.32 0.68 0.01 0.00 0.71 0.00 0.00 54.79 55.87 1wuz n ASP 44 Cb 1.05 -0.18 -0.01 0.00 -0.02 0.00 0.00 41.12 41.96 1wuz n ASP 44 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 1wuz n ARG 45 N -1.31 1.40 0.00 -1.24 3.00 -1.26 -5.01 116.66 112.24 1wuz n ARG 45 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1wuz n ARG 45 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 32.46 31.52 1wuz n ARG 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1wuz n GLY 46 N 2.13 2.26 2.27 5.14 0.00 -1.20 -4.89 105.19 110.91 1wuz n GLY 46 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1wuz n GLY 46 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1wuz n ASP 47 N 0.00 1.15 -0.12 1.61 9.92 -1.26 -3.86 116.55 123.99 1wuz n ASP 47 Ca 0.00 -2.95 -0.21 0.00 -0.53 0.00 0.00 54.79 51.11 1wuz n ASP 47 Cb 0.00 -0.63 -0.10 0.00 -0.64 0.00 0.00 41.12 39.75 1wuz n ASP 47 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1wuz n LEU 48 N 0.93 2.38 -4.04 0.64 4.32 -1.26 -4.61 117.00 115.37 1wuz n LEU 48 Ca 0.24 0.07 -0.14 0.00 -0.02 0.00 0.00 56.01 56.17 1wuz n LEU 48 Cb 0.54 -0.76 -0.03 0.00 -1.62 0.00 0.00 43.42 41.55 1wuz n LEU 48 CO 0.23 0.71 0.22 -0.76 -1.22 0.00 0.00 177.39 176.57 1wuz s LEU 49 N -6.79 0.84 -0.04 2.23 1.02 -1.26 -1.97 118.68 112.70 1wuz s LEU 49 Ca -0.32 -1.44 -0.27 0.00 0.02 0.00 0.00 54.13 52.12 1wuz s LEU 49 Cb 0.10 1.74 0.06 0.00 0.02 0.00 0.00 46.19 48.11 1wuz s LEU 49 CO 0.48 -1.39 0.58 -1.61 0.02 0.00 0.00 176.35 174.43 1wuz s GLU 50 N -2.87 0.96 0.03 1.70 2.02 -1.09 -4.86 118.70 114.60 1wuz s GLU 50 Ca 0.28 0.13 -0.14 0.00 0.02 0.00 0.00 54.97 55.26 1wuz s GLU 50 Cb -0.01 0.45 -0.06 0.00 0.10 0.00 0.00 34.13 34.61 1wuz s GLU 50 CO 0.19 -0.29 0.42 0.54 0.02 0.00 0.00 175.26 176.13 1wuz s VAL 51 N -1.25 5.03 -0.40 2.63 0.11 -1.26 -1.49 120.40 123.77 1wuz s VAL 51 Ca -0.12 0.76 -0.15 0.00 -2.93 0.00 0.00 61.98 59.54 1wuz s VAL 51 Cb -0.01 -3.70 0.02 0.00 -1.53 0.00 0.00 36.38 31.15 1wuz s VAL 51 CO 0.08 0.49 0.29 0.21 -3.33 0.00 0.00 175.10 172.85 1wuz s ASN 52 N -1.27 6.10 0.38 3.54 2.47 0.16 -4.93 114.94 121.39 1wuz s ASN 52 Ca 0.27 -0.84 0.26 0.00 0.42 0.00 0.00 52.86 52.97 1wuz s ASN 52 Cb -0.16 -2.16 1.37 0.00 -1.45 0.00 0.00 41.25 38.85 1wuz s ASN 52 CO 0.15 -0.42 1.80 -0.07 -3.72 0.00 0.00 177.10 174.84 1wuz h LEU 53 N 8.61 0.00 -0.08 3.21 3.38 -1.96 0.28 115.31 128.76 1wuz h LEU 53 Ca -0.28 0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.74 1wuz h LEU 53 Cb 1.12 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.82 1wuz h LEU 53 CO 0.72 0.00 -0.35 -0.61 0.09 0.00 0.00 178.44 178.29 1wuz h GLN 54 N 0.00 -0.44 0.00 1.13 -0.00 -1.95 -3.36 115.11 110.49 1wuz h GLN 54 Ca 0.00 0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.66 1wuz h GLN 54 Cb 0.08 0.10 -0.00 0.00 0.00 0.00 0.00 27.48 27.65 1wuz h GLN 54 CO 0.00 -0.29 -1.08 0.09 0.00 0.00 0.00 178.83 177.54 1wuz n ASN 55 N -5.42 4.69 0.00 -0.69 5.03 -1.13 -5.04 115.26 112.69 1wuz n ASN 55 Ca -0.04 -0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.41 1wuz n ASN 55 Cb 0.34 0.52 0.00 0.00 -1.02 0.00 0.00 39.78 39.62 1wuz n ASN 55 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wuz n GLY 56 N 2.93 1.63 3.48 7.41 0.00 0.96 -5.04 105.19 116.57 1wuz n GLY 56 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.74 1wuz n GLY 56 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1wuz s ILE 57 N -2.00 2.63 -0.12 -0.61 1.10 -1.20 -4.03 121.20 116.97 1wuz s ILE 57 Ca 0.00 -2.05 -0.17 0.00 -0.51 0.00 0.00 60.65 57.92 1wuz s ILE 57 Cb 0.00 -2.31 -0.04 0.00 0.15 0.00 0.00 42.46 40.25 1wuz s ILE 57 CO 0.00 -0.21 0.44 -0.76 -2.11 0.00 0.00 174.94 172.30 1wuz s LEU 58 N -2.99 4.27 0.10 8.50 2.01 -1.08 -0.67 118.68 128.83 1wuz s LEU 58 Ca 0.25 0.76 0.09 0.00 0.01 0.00 0.00 54.13 55.24 1wuz s LEU 58 Cb -0.07 -2.63 -0.04 0.00 0.01 0.00 0.00 46.19 43.46 1wuz s LEU 58 CO 0.13 0.03 -0.23 0.72 1.01 0.00 0.00 176.35 178.01 1wuz s PHE 59 N 0.56 2.43 0.38 0.29 -0.71 -0.55 -0.44 117.98 119.93 1wuz s PHE 59 Ca 0.24 -0.33 -0.27 0.00 -1.04 0.00 0.00 56.93 55.53 1wuz s PHE 59 Cb -0.15 -1.33 -0.10 0.00 -1.21 0.00 0.00 43.02 40.23 1wuz s PHE 59 CO 0.09 0.31 1.40 0.08 -1.34 0.00 0.00 175.22 175.77 1wuz s VAL 60 N -1.04 2.31 -0.12 -2.49 1.01 -0.73 -2.66 120.40 116.68 1wuz s VAL 60 Ca 0.15 0.30 0.20 0.00 0.00 0.00 0.00 61.98 62.63 1wuz s VAL 60 Cb -0.10 -3.19 0.39 0.00 0.00 0.00 0.00 36.38 33.48 1wuz s VAL 60 CO 0.07 0.06 1.17 -3.20 0.00 0.00 0.00 175.10 173.20 1wuz n ASN 61 N 0.39 0.65 -0.93 3.32 5.15 -0.83 -2.06 115.26 120.95 1wuz n ASN 61 Ca 0.02 -2.03 0.00 0.00 -0.60 0.00 0.00 54.58 51.97 1wuz n ASN 61 Cb 0.41 -0.17 0.00 0.00 -0.53 0.00 0.00 39.78 39.49 1wuz n ASN 61 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1wuz n SER 62 N -0.14 0.00 -4.66 1.20 2.88 -0.84 -4.46 113.62 107.60 1wuz n SER 62 Ca -0.01 -0.93 -0.43 0.00 -1.33 0.00 0.00 58.87 56.17 1wuz n SER 62 Cb 0.95 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.38 1wuz n SER 62 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1wuz s ARG 63 N -1.79 4.26 -0.01 -1.46 1.70 -1.26 -4.74 118.95 115.65 1wuz s ARG 63 Ca 0.00 1.53 0.12 0.00 -0.47 0.00 0.00 55.73 56.91 1wuz s ARG 63 Cb 0.00 -3.69 -0.17 0.00 -0.57 0.00 0.00 34.95 30.52 1wuz s ARG 63 CO 0.00 -0.64 0.34 -0.89 -1.08 0.00 0.00 175.30 173.03 1wuz n ILE 64 N 5.27 0.00 -1.32 4.99 2.08 -1.26 -4.31 119.36 124.81 1wuz n ILE 64 Ca 0.13 -0.26 -0.40 0.00 0.56 0.00 0.00 62.75 62.77 1wuz n ILE 64 Cb 0.46 0.46 0.01 0.00 -0.75 0.00 0.00 39.64 39.81 1wuz n ILE 64 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 1wuz n ASP 65 N -1.73 -2.75 0.06 4.38 9.92 -1.26 -2.86 116.55 122.31 1wuz n ASP 65 Ca -0.01 0.75 -0.01 0.00 -0.53 0.00 0.00 54.79 54.99 1wuz n ASP 65 Cb 0.28 -0.93 0.26 0.00 -0.64 0.00 0.00 41.12 40.09 1wuz n ASP 65 CO 0.00 0.00 0.00 0.08 0.13 0.00 0.00 177.20 177.41 1wuz h ARG 66 N 0.23 0.36 0.00 -1.24 0.11 -1.96 0.30 114.38 112.19 1wuz h ARG 66 Ca -0.40 -0.13 -0.15 0.00 0.10 0.00 0.00 59.98 59.41 1wuz h ARG 66 Cb 1.44 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 32.47 1wuz h ARG 66 CO 0.45 0.59 -1.01 1.05 0.10 0.00 0.00 179.97 181.15 1wuz h GLU 67 N 0.33 0.00 0.00 0.08 4.11 -1.91 0.27 114.58 117.46 1wuz h GLU 67 Ca 0.05 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.45 1wuz h GLU 67 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1wuz h GLU 67 CO 0.04 0.43 -0.23 1.49 0.07 0.00 0.00 179.01 180.81 1wuz h GLU 68 N 0.00 0.00 -0.07 1.06 4.81 -1.83 -3.39 114.58 115.16 1wuz h GLU 68 Ca -0.09 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 1wuz h GLU 68 Cb 1.52 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.88 1wuz h GLU 68 CO 0.06 0.68 -0.16 1.25 -0.73 0.00 0.00 179.01 180.11 1wuz h LEU 69 N -1.00 -0.52 0.00 1.64 7.12 -0.58 -3.45 115.31 118.53 1wuz h LEU 69 Ca -0.05 0.06 0.00 0.00 0.13 0.00 0.00 57.88 58.02 1wuz h LEU 69 Cb 0.77 0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.10 1wuz h LEU 69 CO -0.03 -0.13 0.00 0.00 -0.13 0.00 0.00 178.44 178.14 1wuz n GLY 71 N 0.49 0.68 0.02 0.00 0.00 0.95 -4.88 105.19 102.45 1wuz n GLY 71 Ca 0.00 -0.10 -0.00 0.00 0.00 0.00 0.00 46.02 45.92 1wuz n GLY 71 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1wuz h ARG 72 N 0.15 -0.01 -5.96 1.61 -0.00 -1.90 -3.49 114.38 104.79 1wuz h ARG 72 Ca -0.12 0.00 -0.60 0.00 -0.50 0.00 0.00 59.98 58.76 1wuz h ARG 72 Cb 0.86 0.00 -0.12 0.00 0.00 0.00 0.00 29.97 30.71 1wuz h ARG 72 CO 0.18 -0.00 -0.64 0.45 0.00 0.00 0.00 179.97 179.95 1wuz s SER 73 N -3.90 3.97 0.53 7.04 0.15 -1.26 -5.01 113.70 115.21 1wuz s SER 73 Ca -0.00 -1.11 0.30 0.00 0.70 0.00 0.00 55.95 55.84 1wuz s SER 73 Cb 0.00 -0.44 1.44 0.00 -1.71 0.00 0.00 66.02 65.31 1wuz s SER 73 CO 0.00 -0.24 1.90 0.00 1.20 0.00 0.00 173.24 176.10 1wuz h ALA 74 N 1.89 2.76 -1.74 5.45 0.00 -1.93 -3.42 119.26 122.27 1wuz h ALA 74 Ca -0.42 -0.03 -0.61 0.00 0.00 0.00 0.00 54.91 53.85 1wuz h ALA 74 Cb 1.25 0.06 -0.12 0.00 0.00 0.00 0.00 17.79 18.98 1wuz h ALA 74 CO 0.69 -1.00 -0.60 -1.21 0.00 0.00 0.00 179.25 177.13 1wuz s GLU 75 N -5.02 1.99 -0.28 0.00 2.02 -1.26 -4.43 118.70 111.73 1wuz s GLU 75 Ca -0.05 -1.98 -0.14 0.00 0.02 0.00 0.00 54.97 52.81 1wuz s GLU 75 Cb 0.21 -1.75 0.09 0.00 0.10 0.00 0.00 34.13 32.78 1wuz s GLU 75 CO 0.77 0.00 0.66 0.00 0.02 0.00 0.00 175.26 176.72 1wuz s SER 77 N 1.92 6.23 -0.02 0.00 1.04 -1.26 -2.38 113.70 119.22 1wuz s SER 77 Ca -0.09 0.42 0.05 0.00 0.48 0.00 0.00 55.95 56.81 1wuz s SER 77 Cb -0.07 -1.98 -0.01 0.00 0.10 0.00 0.00 66.02 64.06 1wuz s SER 77 CO -0.19 0.40 -0.17 -0.63 0.98 0.00 0.00 173.24 173.63 1wuz s ILE 78 N -1.02 1.36 -0.03 -1.02 1.09 -0.73 -5.03 121.20 115.83 1wuz s ILE 78 Ca 0.15 -0.72 0.05 0.00 -1.10 0.00 0.00 60.65 59.02 1wuz s ILE 78 Cb -0.12 -1.14 -0.03 0.00 -1.06 0.00 0.00 42.46 40.11 1wuz s ILE 78 CO 0.04 0.39 -0.15 -1.00 -0.10 0.00 0.00 174.94 174.12 1wuz s HIS 79 N -0.31 2.67 0.05 3.97 3.76 -1.26 -1.91 115.29 122.25 1wuz s HIS 79 Ca 0.04 -0.18 -0.07 0.00 -0.15 0.00 0.00 55.06 54.70 1wuz s HIS 79 Cb -0.08 -1.59 -0.01 0.00 1.11 0.00 0.00 32.58 32.02 1wuz s HIS 79 CO -0.00 0.20 0.14 -1.17 -0.85 0.00 0.00 174.74 173.06 1wuz s LEU 80 N -0.92 1.61 -0.18 0.89 0.20 0.86 -3.62 118.68 117.53 1wuz s LEU 80 Ca 0.12 -0.52 -0.01 0.00 0.69 0.00 0.00 54.13 54.42 1wuz s LEU 80 Cb -0.11 0.79 0.05 0.00 -0.43 0.00 0.00 46.19 46.49 1wuz s LEU 80 CO 0.02 -0.57 -0.04 -1.61 -0.29 0.00 0.00 176.35 173.86 1wuz s GLU 81 N -2.88 1.35 -0.49 1.98 2.02 -0.81 -1.09 118.70 118.78 1wuz s GLU 81 Ca -0.03 -0.58 -0.21 0.00 0.02 0.00 0.00 54.97 54.17 1wuz s GLU 81 Cb 0.00 -2.11 0.04 0.00 0.10 0.00 0.00 34.13 32.16 1wuz s GLU 81 CO -0.06 -0.49 0.71 0.08 0.02 0.00 0.00 175.26 175.53 1wuz s VAL 82 N 1.63 4.73 0.14 2.63 1.01 -0.53 -1.36 120.40 128.65 1wuz s VAL 82 Ca -0.01 -0.03 -0.26 0.00 0.00 0.00 0.00 61.98 61.69 1wuz s VAL 82 Cb -0.16 -4.32 -0.07 0.00 0.00 0.00 0.00 36.38 31.83 1wuz s VAL 82 CO -0.07 -0.79 0.79 -0.51 0.00 0.00 0.00 175.10 174.52 1wuz s ILE 83 N 3.04 4.42 -0.01 2.22 -1.16 0.26 -0.25 121.20 129.73 1wuz s ILE 83 Ca 0.22 1.73 0.00 0.00 -0.51 0.00 0.00 60.65 62.10 1wuz s ILE 83 Cb -0.15 -4.15 0.01 0.00 0.61 0.00 0.00 42.46 38.77 1wuz s ILE 83 CO 0.17 0.48 0.00 0.68 -2.81 0.00 0.00 174.94 173.46 1wuz s VAL 84 N -0.89 0.05 -0.32 4.00 -7.23 -0.38 -0.66 120.40 114.97 1wuz s VAL 84 Ca 0.37 0.04 -0.13 0.00 -1.81 0.00 0.00 61.98 60.45 1wuz s VAL 84 Cb -0.23 -0.09 -0.03 0.00 0.56 0.00 0.00 36.38 36.60 1wuz s VAL 84 CO 0.26 0.05 0.26 -0.62 -0.31 0.00 0.00 175.10 174.74 1wuz s ASP 85 N 0.34 6.09 -0.19 4.85 2.15 -0.39 -2.50 116.67 127.03 1wuz s ASP 85 Ca -0.03 -0.21 -0.03 0.00 0.43 0.00 0.00 52.55 52.70 1wuz s ASP 85 Cb -0.05 -2.15 0.00 0.00 -0.30 0.00 0.00 42.92 40.43 1wuz s ASP 85 CO -0.01 -0.20 0.13 -1.14 -0.17 0.00 0.00 175.17 173.77 1wuz n ARG 86 N 5.17 -1.58 -1.34 4.34 3.00 -1.26 -3.74 116.66 121.25 1wuz n ARG 86 Ca -0.12 1.55 -0.31 0.00 -0.00 0.00 0.00 57.85 58.97 1wuz n ARG 86 Cb 0.50 -3.44 0.08 0.00 0.00 0.00 0.00 32.46 29.61 1wuz n ARG 86 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 1wuz s PRO 87 N -1.25 2.35 -0.57 -0.14 0.04 -1.26 -4.55 135.00 129.61 1wuz s PRO 87 Ca 0.05 1.21 -0.22 0.00 0.04 0.00 0.00 61.00 62.08 1wuz s PRO 87 Cb -0.01 -1.91 0.05 0.00 0.04 0.00 0.00 34.50 32.67 1wuz s PRO 87 CO 0.40 -1.58 0.85 -0.51 0.04 0.00 0.00 177.00 176.21 1wuz s LEU 88 N -5.74 4.45 -0.09 -3.56 2.01 -1.26 -4.65 118.68 109.84 1wuz s LEU 88 Ca 0.62 -0.69 -0.31 0.00 0.01 0.00 0.00 54.13 53.76 1wuz s LEU 88 Cb -0.18 -2.61 0.10 0.00 0.01 0.00 0.00 46.19 43.51 1wuz s LEU 88 CO 0.53 -1.19 1.38 0.00 1.01 0.00 0.00 176.35 178.09 1wuz s GLN 89 N 3.58 0.03 0.18 1.70 -2.07 -1.04 -5.05 119.66 116.99 1wuz s GLN 89 Ca 0.24 -0.02 0.08 0.00 -1.82 0.00 0.00 55.36 53.84 1wuz s GLN 89 Cb -0.16 0.01 -0.04 0.00 -1.09 0.00 0.00 33.01 31.73 1wuz s GLN 89 CO 0.15 -0.01 -0.16 0.14 -1.32 0.00 0.00 175.29 174.08 1wuz s VAL 90 N -2.00 1.75 -0.07 3.63 -7.23 -1.26 -1.24 120.40 113.98 1wuz s VAL 90 Ca 0.31 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.47 1wuz s VAL 90 Cb 0.01 -1.90 -0.03 0.00 0.56 0.00 0.00 36.38 35.02 1wuz s VAL 90 CO -0.03 -0.44 -0.08 -0.36 -0.31 0.00 0.00 175.10 173.88 1wuz s PHE 91 N -2.43 2.91 -0.40 2.82 0.08 0.65 -4.89 117.98 116.72 1wuz s PHE 91 Ca 0.18 0.00 -0.25 0.00 0.12 0.00 0.00 56.93 56.98 1wuz s PHE 91 Cb -0.04 -1.70 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 1wuz s PHE 91 CO 0.06 0.32 0.91 -1.58 -0.10 0.00 0.00 175.22 174.83 1wuz s HIS 92 N -0.80 3.03 -0.10 0.36 2.46 -0.56 -1.46 115.29 118.23 1wuz s HIS 92 Ca 0.12 0.62 0.02 0.00 0.47 0.00 0.00 55.06 56.30 1wuz s HIS 92 Cb -0.11 -3.73 -0.02 0.00 -0.13 0.00 0.00 32.58 28.59 1wuz s HIS 92 CO 0.01 -0.91 -0.15 0.08 -2.47 0.00 0.00 174.74 171.30 1wuz s VAL 93 N 3.53 2.88 -0.19 0.89 1.01 -0.25 -1.55 120.40 126.72 1wuz s VAL 93 Ca 0.37 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.57 1wuz s VAL 93 Cb -0.11 -2.16 0.06 0.00 0.00 0.00 0.00 36.38 34.16 1wuz s VAL 93 CO 0.21 0.55 0.04 -1.61 0.00 0.00 0.00 175.10 174.29 1wuz s GLU 94 N -0.04 0.63 -0.19 2.72 2.02 -0.23 -0.10 118.70 123.51 1wuz s GLU 94 Ca -0.04 -0.39 -0.05 0.00 0.02 0.00 0.00 54.97 54.51 1wuz s GLU 94 Cb -0.14 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 31.99 1wuz s GLU 94 CO 0.04 -0.63 0.00 0.14 0.02 0.00 0.00 175.26 174.83 1wuz s VAL 95 N 1.87 4.05 0.16 2.63 -7.23 -0.80 -0.53 120.40 120.55 1wuz s VAL 95 Ca -0.01 -0.29 0.05 0.00 -1.81 0.00 0.00 61.98 59.93 1wuz s VAL 95 Cb -0.17 -2.82 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 1wuz s VAL 95 CO -0.08 0.44 0.11 -1.61 -0.31 0.00 0.00 175.10 173.65 1wuz s GLU 96 N 0.82 2.81 -0.02 4.82 2.02 -1.10 -1.77 118.70 126.27 1wuz s GLU 96 Ca 0.01 -0.89 -0.13 0.00 0.02 0.00 0.00 54.97 53.97 1wuz s GLU 96 Cb -0.14 -2.60 -0.05 0.00 0.10 0.00 0.00 34.13 31.43 1wuz s GLU 96 CO 0.02 0.49 0.36 0.14 0.02 0.00 0.00 175.26 176.29 1wuz s VAL 97 N -1.71 5.11 -0.33 2.63 -7.23 -1.00 -2.56 120.40 115.31 1wuz s VAL 97 Ca 0.30 0.73 -0.00 0.00 -1.81 0.00 0.00 61.98 61.20 1wuz s VAL 97 Cb -0.10 -3.66 0.08 0.00 0.56 0.00 0.00 36.38 33.26 1wuz s VAL 97 CO 0.22 0.58 0.06 -0.60 -0.31 0.00 0.00 175.10 175.05 1wuz s ARG 98 N -1.01 2.10 0.00 4.82 3.00 -0.90 -4.53 118.95 122.44 1wuz s ARG 98 Ca 0.22 -1.55 0.00 0.00 -1.00 0.00 0.00 55.73 53.40 1wuz s ARG 98 Cb -0.16 -3.27 0.00 0.00 0.00 0.00 0.00 34.95 31.52 1wuz s ARG 98 CO 0.12 -0.80 0.00 -0.25 0.00 0.00 0.00 175.30 174.36 1wuz n ASP 99 N 4.52 0.00 -4.61 -2.12 9.92 -1.26 -2.12 116.55 120.88 1wuz n ASP 99 Ca -0.07 0.00 -0.26 0.00 -0.53 0.00 0.00 54.79 53.94 1wuz n ASP 99 Cb 0.42 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.82 1wuz n ASP 99 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1wuz s ILE 100 N -2.55 3.34 0.03 0.53 2.07 -1.26 -4.74 121.20 118.62 1wuz s ILE 100 Ca 0.00 -1.71 -0.17 0.00 -1.41 0.00 0.00 60.65 57.36 1wuz s ILE 100 Cb 0.00 -2.70 -0.29 0.00 0.13 0.00 0.00 42.46 39.59 1wuz s ILE 100 CO 0.00 -0.19 1.06 -1.13 -1.91 0.00 0.00 174.94 172.77 1wuz h ASN 101 N 2.56 0.77 -0.12 4.50 -0.73 -1.88 -3.21 115.58 117.47 1wuz h ASN 101 Ca -0.46 -0.84 0.04 0.00 1.87 0.00 0.00 56.30 56.90 1wuz h ASN 101 Cb 1.22 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 39.56 1wuz h ASN 101 CO 0.57 1.54 0.17 0.44 -0.37 0.00 0.00 177.43 179.78 1wuz h ASP 102 N 0.11 0.00 0.00 1.15 5.19 -1.97 -3.50 116.42 117.40 1wuz h ASP 102 Ca -0.17 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.24 1wuz h ASP 102 Cb 1.81 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.32 1wuz h ASP 102 CO 0.21 0.00 0.00 -3.20 -3.12 0.00 0.00 179.24 173.13