#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 7.09 -0.08 1.61 3.84 -1.25 -4.96 114.94 121.19 1wuz s ASN 2 Ca 0.00 1.30 0.01 0.00 0.21 0.00 0.00 52.86 54.38 1wuz s ASN 2 Cb 0.00 -2.40 -0.05 0.00 -0.55 0.00 0.00 41.25 38.24 1wuz s ASN 2 CO 0.00 0.13 -0.07 -0.24 -2.79 0.00 0.00 177.10 174.13 1wuz n SER 3 N 2.41 3.37 -4.48 -4.21 2.88 -1.26 -4.70 113.62 107.63 1wuz n SER 3 Ca -0.06 -0.04 -0.43 0.00 -1.33 0.00 0.00 58.87 57.00 1wuz n SER 3 Cb 0.50 -0.09 -0.07 0.00 -0.75 0.00 0.00 64.21 63.81 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 -2.16 3.17 -0.03 -1.46 0.00 -1.26 -1.24 119.66 116.68 1wuz s GLN 4 Ca -0.11 -0.68 -0.05 0.00 -0.00 0.00 0.00 55.36 54.53 1wuz s GLN 4 Cb 0.03 -4.03 0.01 0.00 0.00 0.00 0.00 33.01 29.02 1wuz s GLN 4 CO 0.19 -1.10 0.11 0.42 0.00 0.00 0.00 175.29 174.92 1wuz s ILE 5 N 2.65 0.03 0.03 3.63 1.01 -0.85 -5.05 121.20 122.65 1wuz s ILE 5 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.61 1wuz s ILE 5 Cb -0.17 -0.24 -0.02 0.00 0.01 0.00 0.00 42.46 42.04 1wuz s ILE 5 CO 0.15 -0.12 -0.04 -1.38 0.00 0.00 0.00 174.94 173.55 1wuz s HIS 6 N -0.36 0.40 0.29 3.97 -3.43 -1.26 -0.65 115.29 114.24 1wuz s HIS 6 Ca -0.04 -0.60 0.05 0.00 -0.80 0.00 0.00 55.06 53.67 1wuz s HIS 6 Cb -0.03 -0.27 -0.06 0.00 -1.43 0.00 0.00 32.58 30.79 1wuz s HIS 6 CO 0.00 -0.19 0.00 0.71 -2.00 0.00 0.00 174.74 173.27 1wuz s TYR 7 N -1.79 1.88 -0.19 0.38 2.02 -0.83 -4.92 117.35 113.89 1wuz s TYR 7 Ca -0.11 -0.86 -0.01 0.00 -0.37 0.00 0.00 57.07 55.72 1wuz s TYR 7 Cb -0.07 -1.15 0.01 0.00 -0.40 0.00 0.00 41.96 40.35 1wuz s TYR 7 CO -0.02 0.09 -0.15 -1.12 -1.57 0.00 0.00 175.55 172.79 1wuz s SER 8 N -3.43 3.53 -0.05 2.29 0.01 -0.75 -2.76 113.70 112.54 1wuz s SER 8 Ca 0.32 -0.56 0.01 0.00 1.31 0.00 0.00 55.95 57.03 1wuz s SER 8 Cb 0.06 -1.57 0.02 0.00 0.21 0.00 0.00 66.02 64.75 1wuz s SER 8 CO 0.13 -0.01 -0.06 -0.51 0.41 0.00 0.00 173.24 173.20 1wuz s ILE 9 N 1.35 0.63 0.14 1.44 2.07 -1.06 -4.41 121.20 121.37 1wuz s ILE 9 Ca 0.05 -0.18 -0.31 0.00 -1.41 0.00 0.00 60.65 58.80 1wuz s ILE 9 Cb -0.13 -0.63 -0.08 0.00 0.13 0.00 0.00 42.46 41.74 1wuz s ILE 9 CO -0.10 0.24 1.35 -2.16 -1.91 0.00 0.00 174.94 172.36 1wuz s PRO 10 N 0.85 4.35 0.74 3.50 0.04 -1.26 -2.45 135.00 140.78 1wuz s PRO 10 Ca -0.12 2.04 -0.16 0.00 0.04 0.00 0.00 61.00 62.80 1wuz s PRO 10 Cb -0.15 -3.24 -0.06 0.00 0.04 0.00 0.00 34.50 31.10 1wuz s PRO 10 CO 0.01 -0.36 0.31 -1.91 0.04 0.00 0.00 177.00 175.09 1wuz n GLU 11 N 3.55 0.18 -1.72 4.56 2.13 -1.03 -1.70 120.64 126.61 1wuz n GLU 11 Ca 0.10 0.09 -0.20 0.00 0.66 0.00 0.00 57.16 57.81 1wuz n GLU 11 Cb 0.43 -1.65 -0.07 0.00 0.27 0.00 0.00 31.44 30.41 1wuz n GLU 11 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1wuz n GLU 12 N -0.24 -1.43 -1.77 5.31 2.13 -1.24 -4.89 120.64 118.52 1wuz n GLU 12 Ca 0.08 1.16 -0.43 0.00 0.66 0.00 0.00 57.16 58.64 1wuz n GLU 12 Cb 0.50 -5.56 -0.03 0.00 0.27 0.00 0.00 31.44 26.63 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 -2.79 3.11 0.86 4.31 0.00 -0.69 -4.73 121.76 121.83 1wuz s ALA 13 Ca 0.00 0.83 -0.10 0.00 0.00 0.00 0.00 51.96 52.68 1wuz s ALA 13 Cb 0.00 -3.95 0.12 0.00 0.00 0.00 0.00 23.12 19.28 1wuz s ALA 13 CO 0.00 -2.24 1.13 -1.59 0.00 0.00 0.00 175.76 173.06 1wuz s LYS 14 N 5.38 1.42 0.01 0.00 0.00 -1.26 -4.47 119.74 120.81 1wuz s LYS 14 Ca 0.89 1.46 -0.33 0.00 0.00 0.00 0.00 55.97 57.99 1wuz s LYS 14 Cb -0.33 -1.78 -0.11 0.00 0.00 0.00 0.00 37.83 35.61 1wuz s LYS 14 CO 0.35 -2.32 1.86 1.58 0.00 0.00 0.00 175.35 176.83 1wuz n HIS 15 N -3.96 2.42 0.00 1.78 -0.00 -1.26 -1.67 115.22 112.53 1wuz n HIS 15 Ca 0.11 -0.09 0.00 0.00 -0.00 0.00 0.00 57.72 57.74 1wuz n HIS 15 Cb 0.52 -2.70 0.00 0.00 -0.00 0.00 0.00 29.99 27.82 1wuz n HIS 15 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1wuz n GLY 16 N 4.30 0.99 3.78 1.57 0.00 -0.84 -4.90 105.19 110.08 1wuz n GLY 16 Ca 0.21 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.85 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 4.22 0.47 2.61 2.01 -0.67 -4.58 115.64 117.71 1wuz s THR 17 Ca 0.00 1.83 -0.24 0.00 0.31 0.00 0.00 61.69 63.59 1wuz s THR 17 Cb 0.00 -4.07 -0.07 0.00 0.01 0.00 0.00 72.50 68.37 1wuz s THR 17 CO 0.00 0.24 1.35 0.12 -0.69 0.00 0.00 174.62 175.64 1wuz s PHE 18 N -1.50 2.52 0.00 4.92 5.36 -1.26 -1.63 117.98 126.39 1wuz s PHE 18 Ca 0.47 1.36 0.00 0.00 -0.96 0.00 0.00 56.93 57.80 1wuz s PHE 18 Cb -0.20 -3.78 0.00 0.00 -0.34 0.00 0.00 43.02 38.70 1wuz s PHE 18 CO 0.25 -2.61 0.00 0.28 -1.46 0.00 0.00 175.22 171.69 1wuz n VAL 19 N -0.43 0.00 0.00 3.12 0.31 -0.77 -4.70 118.33 115.86 1wuz n VAL 19 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1wuz n VAL 19 Cb 0.44 -0.85 0.00 0.00 -0.91 0.00 0.00 33.84 32.52 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 2.24 3.12 3.51 2.92 0.00 -1.25 -1.81 105.19 113.92 1wuz n GLY 20 Ca 0.00 0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 1wuz n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wuz n ARG 21 N -0.03 0.47 -0.10 1.61 5.12 -1.26 -3.60 116.66 118.87 1wuz n ARG 21 Ca 0.00 0.01 -0.14 0.00 -1.93 0.00 0.00 57.85 55.79 1wuz n ARG 21 Cb 0.00 -2.33 -0.04 0.00 -1.16 0.00 0.00 32.46 28.93 1wuz n ARG 21 CO 0.00 0.00 0.00 0.97 -1.93 0.00 0.00 177.63 176.67 1wuz h ILE 22 N 7.82 1.28 -0.02 0.55 2.10 -1.88 -2.51 117.51 124.86 1wuz h ILE 22 Ca -0.14 -1.58 -0.01 0.00 1.08 0.00 0.00 64.86 64.22 1wuz h ILE 22 Cb 1.30 1.53 -0.00 0.00 -1.09 0.00 0.00 36.82 38.55 1wuz h ILE 22 CO 1.28 0.52 -0.02 0.00 -1.08 0.00 0.00 178.15 178.84 1wuz h ALA 23 N 0.72 0.03 -1.00 0.18 0.00 -1.86 -1.10 119.26 116.22 1wuz h ALA 23 Ca 0.04 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.82 1wuz h ALA 23 Cb 0.99 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.69 1wuz h ALA 23 CO 0.09 -0.21 0.63 0.37 0.00 0.00 0.00 179.25 180.14 1wuz h GLN 24 N -0.43 0.96 -0.00 0.00 4.15 -1.87 0.20 115.11 118.12 1wuz h GLN 24 Ca 0.00 -0.06 -0.17 0.00 0.77 0.00 0.00 58.65 59.20 1wuz h GLN 24 Cb 0.51 -0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 1wuz h GLN 24 CO 0.00 0.63 -0.78 -0.44 -1.93 0.00 0.00 178.83 176.32 1wuz h ASP 25 N 0.99 0.07 -0.20 -0.69 5.19 -1.43 -3.23 116.42 117.11 1wuz h ASP 25 Ca 0.50 -0.05 -0.20 0.00 -0.62 0.00 0.00 57.03 56.66 1wuz h ASP 25 Cb 0.50 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.99 1wuz h ASP 25 CO -0.26 0.81 -0.64 -0.07 -3.12 0.00 0.00 179.24 175.96 1wuz h LEU 26 N 0.03 0.94 -0.77 1.55 4.07 0.30 -3.45 115.31 117.97 1wuz h LEU 26 Ca -0.01 -0.55 0.00 0.00 0.08 0.00 0.00 57.88 57.40 1wuz h LEU 26 Cb 1.37 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.83 1wuz h LEU 26 CO 0.11 1.34 0.00 0.61 -1.08 0.00 0.00 178.44 179.42 1wuz n GLY 27 N 0.49 0.69 1.32 0.83 0.00 0.54 -3.92 105.19 105.13 1wuz n GLY 27 Ca -0.05 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.59 1wuz n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wuz n LEU 28 N -0.39 0.00 -4.83 0.99 4.77 -1.23 -5.02 117.00 111.30 1wuz n LEU 28 Ca 0.00 -1.24 -0.33 0.00 -0.03 0.00 0.00 56.01 54.41 1wuz n LEU 28 Cb 0.25 0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 41.73 1wuz n LEU 28 CO 0.00 -0.19 -0.21 -1.61 -1.33 0.00 0.00 177.39 174.04 1wuz s GLU 29 N -2.60 3.20 0.40 3.23 2.02 -1.26 -4.82 118.70 118.86 1wuz s GLU 29 Ca 0.10 -0.45 0.19 0.00 0.02 0.00 0.00 54.97 54.83 1wuz s GLU 29 Cb 0.00 -2.94 0.84 0.00 0.10 0.00 0.00 34.13 32.14 1wuz s GLU 29 CO 0.07 0.65 1.82 -0.07 0.02 0.00 0.00 175.26 177.74 1wuz h LEU 30 N 3.84 0.00 -1.68 1.80 -0.00 -1.92 -2.41 115.31 114.94 1wuz h LEU 30 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 1wuz h LEU 30 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.84 1wuz h LEU 30 CO 0.66 0.33 0.00 0.41 -0.00 0.00 0.00 178.44 179.84 1wuz n THR 31 N -3.69 0.22 0.68 0.22 -1.04 -1.26 -3.91 114.28 105.51 1wuz n THR 31 Ca -0.01 -0.50 0.09 0.00 -2.04 0.00 0.00 64.05 61.59 1wuz n THR 31 Cb 0.43 0.85 -0.12 0.00 -1.82 0.00 0.00 70.33 69.68 1wuz n THR 31 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1wuz n GLU 32 N 0.93 0.72 -0.14 -2.82 4.71 -0.92 -4.41 120.64 118.71 1wuz n GLU 32 Ca 0.17 -0.04 -0.11 0.00 -0.01 0.00 0.00 57.16 57.17 1wuz n GLU 32 Cb 0.49 -1.41 -0.02 0.00 -1.01 0.00 0.00 31.44 29.49 1wuz n GLU 32 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 1wuz h LEU 33 N 0.00 0.73 0.12 -4.62 3.38 -1.65 -1.28 115.31 111.98 1wuz h LEU 33 Ca 0.00 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.65 1wuz h LEU 33 Cb 0.55 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1wuz h LEU 33 CO 0.00 0.89 -0.45 0.58 0.09 0.00 0.00 178.44 179.55 1wuz h VAL 34 N 0.55 0.11 0.00 1.22 2.07 -1.81 -1.13 116.25 117.26 1wuz h VAL 34 Ca 0.11 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.63 1wuz h VAL 34 Cb 0.54 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 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 -0.68 0.00 -0.28 1.57 0.13 -1.80 -2.34 132.00 128.60 1wuz h PRO 35 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1wuz h PRO 35 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1wuz h PRO 35 CO -0.26 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.05 1wuz n ARG 36 N -2.48 1.86 -3.86 0.86 1.74 -0.49 -4.88 116.66 109.41 1wuz n ARG 36 Ca 0.02 -1.31 -0.32 0.00 -0.77 0.00 0.00 57.85 55.46 1wuz n ARG 36 Cb 0.25 -1.36 0.01 0.00 -1.02 0.00 0.00 32.46 30.34 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 0.54 -2.11 -4.74 0.55 7.99 -0.80 -1.29 117.00 117.14 1wuz n LEU 37 Ca 0.15 -1.08 -0.42 0.00 -0.01 0.00 0.00 56.01 54.65 1wuz n LEU 37 Cb 0.35 -2.17 -0.01 0.00 -0.11 0.00 0.00 43.42 41.47 1wuz n LEU 37 CO 0.11 0.52 1.19 0.33 -1.51 0.00 0.00 177.39 178.03 1wuz n PHE 38 N -4.43 2.76 -3.81 -1.77 7.35 -0.97 -2.70 117.46 113.90 1wuz n PHE 38 Ca -0.18 0.32 -0.12 0.00 -0.76 0.00 0.00 57.45 56.71 1wuz n PHE 38 Cb 0.62 -2.56 -0.11 0.00 0.35 0.00 0.00 39.48 37.77 1wuz n PHE 38 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 1wuz s ARG 39 N -0.78 0.31 -0.05 -4.13 6.06 0.57 -4.98 118.95 115.96 1wuz s ARG 39 Ca 0.63 0.16 0.07 0.00 -2.50 0.00 0.00 55.73 54.08 1wuz s ARG 39 Cb -0.51 0.15 -0.01 0.00 0.06 0.00 0.00 34.95 34.63 1wuz s ARG 39 CO 0.51 -0.05 -0.25 0.08 -2.50 0.00 0.00 175.30 173.09 1wuz s VAL 40 N -0.21 2.07 0.14 7.11 1.01 -1.26 -0.41 120.40 128.84 1wuz s VAL 40 Ca -0.03 -1.07 -0.08 0.00 0.00 0.00 0.00 61.98 60.80 1wuz s VAL 40 Cb -0.03 -1.73 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 1wuz s VAL 40 CO 0.01 0.57 0.22 0.00 0.00 0.00 0.00 175.10 175.90 1wuz s ALA 41 N -0.31 0.07 0.09 5.51 0.00 -0.90 -4.93 121.76 121.28 1wuz s ALA 41 Ca 0.01 -0.90 -0.17 0.00 0.00 0.00 0.00 51.96 50.90 1wuz s ALA 41 Cb -0.12 0.74 0.04 0.00 0.00 0.00 0.00 23.12 23.77 1wuz s ALA 41 CO 0.02 -0.58 0.41 0.45 0.00 0.00 0.00 175.76 176.06 1wuz s SER 42 N -2.95 -0.27 -0.06 0.00 0.15 -1.24 -2.04 113.70 107.29 1wuz s SER 42 Ca 0.14 -0.17 -0.13 0.00 0.70 0.00 0.00 55.95 56.49 1wuz s SER 42 Cb 0.04 0.46 -0.30 0.00 -1.71 0.00 0.00 66.02 64.51 1wuz s SER 42 CO -0.03 -0.77 0.65 0.11 1.20 0.00 0.00 173.24 174.40 1wuz h LYS 43 N 2.63 0.35 0.00 5.44 1.57 -1.94 -3.05 116.57 121.57 1wuz h LYS 43 Ca -0.33 -0.60 0.00 0.00 -1.87 0.00 0.00 60.65 57.85 1wuz h LYS 43 Cb 1.23 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.77 1wuz h LYS 43 CO 0.45 1.29 0.00 -0.25 -0.57 0.00 0.00 179.45 180.37 1wuz n ASP 44 N -3.72 0.00 -0.00 0.86 8.00 -1.26 -4.52 116.55 115.91 1wuz n ASP 44 Ca -0.24 0.64 0.00 0.00 0.71 0.00 0.00 54.79 55.90 1wuz n ASP 44 Cb 1.01 -0.14 -0.00 0.00 -0.02 0.00 0.00 41.12 41.97 1wuz n ASP 44 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1wuz n ARG 45 N -1.18 1.31 0.00 -1.24 1.74 -1.26 -5.01 116.66 111.02 1wuz n ARG 45 Ca 0.00 -0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1wuz n ARG 45 Cb 0.00 -0.92 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 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 2.20 2.29 2.26 -0.13 0.00 -1.15 -4.89 105.19 105.76 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 1.34 0.00 0.00 0.00 173.32 174.66 1wuz n ASP 47 N 0.00 1.04 -0.01 1.61 -0.08 -1.26 -3.69 116.55 114.17 1wuz n ASP 47 Ca 0.00 -2.92 -0.21 0.00 -1.51 0.00 0.00 54.79 50.15 1wuz n ASP 47 Cb 0.00 -0.64 -0.13 0.00 2.34 0.00 0.00 41.12 42.69 1wuz n ASP 47 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1wuz h LEU 48 N 3.76 0.31 0.00 -2.67 3.38 -1.91 -3.38 115.31 114.80 1wuz h LEU 48 Ca 0.10 -0.82 -0.33 0.00 0.09 0.00 0.00 57.88 56.92 1wuz h LEU 48 Cb 0.85 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.41 1wuz h LEU 48 CO 0.54 1.58 -0.27 0.18 0.09 0.00 0.00 178.44 180.56 1wuz n LEU 49 N -4.00 0.00 -3.69 1.67 4.32 -1.26 -2.06 117.00 111.98 1wuz n LEU 49 Ca -0.25 -2.60 -0.14 0.00 -0.02 0.00 0.00 56.01 53.00 1wuz n LEU 49 Cb 0.86 1.80 -0.09 0.00 -1.62 0.00 0.00 43.42 44.37 1wuz n LEU 49 CO 0.38 -0.51 0.20 -1.61 -1.22 0.00 0.00 177.39 174.63 1wuz s GLU 50 N -2.93 0.64 0.04 3.23 2.02 -1.07 -4.73 118.70 115.89 1wuz s GLU 50 Ca 0.30 0.61 -0.11 0.00 0.02 0.00 0.00 54.97 55.79 1wuz s GLU 50 Cb 0.00 0.31 -0.06 0.00 0.10 0.00 0.00 34.13 34.49 1wuz s GLU 50 CO 0.21 -0.10 0.38 0.54 0.02 0.00 0.00 175.26 176.31 1wuz s VAL 51 N 0.05 5.12 -0.26 2.63 0.11 -1.26 -2.46 120.40 124.32 1wuz s VAL 51 Ca -0.02 0.52 -0.12 0.00 -2.93 0.00 0.00 61.98 59.44 1wuz s VAL 51 Cb -0.03 -3.64 -0.05 0.00 -1.53 0.00 0.00 36.38 31.12 1wuz s VAL 51 CO 0.02 0.40 0.23 0.21 -3.33 0.00 0.00 175.10 172.62 1wuz s ASN 52 N -1.52 6.12 0.00 3.54 2.47 -1.05 -4.94 114.94 119.55 1wuz s ASN 52 Ca 0.29 0.12 0.18 0.00 0.42 0.00 0.00 52.86 53.87 1wuz s ASN 52 Cb -0.15 -2.14 0.84 0.00 -1.45 0.00 0.00 41.25 38.35 1wuz s ASN 52 CO 0.16 -0.04 1.55 0.18 -3.72 0.00 0.00 177.10 175.22 1wuz n LEU 53 N 4.84 0.00 0.36 3.21 4.32 -1.26 0.01 117.00 128.48 1wuz n LEU 53 Ca -0.13 0.38 -0.14 0.00 -0.02 0.00 0.00 56.01 56.10 1wuz n LEU 53 Cb 0.52 -0.38 -0.07 0.00 -1.62 0.00 0.00 43.42 41.87 1wuz n LEU 53 CO 0.35 -0.15 0.37 -0.61 -1.22 0.00 0.00 177.39 176.13 1wuz h GLN 54 N 0.00 -0.91 0.00 3.23 4.15 -1.92 -3.41 115.11 116.25 1wuz h GLN 54 Ca 0.00 0.06 -0.02 0.00 0.77 0.00 0.00 58.65 59.46 1wuz h GLN 54 Cb 0.23 0.21 -0.00 0.00 0.21 0.00 0.00 27.48 28.12 1wuz h GLN 54 CO 0.00 -0.61 -1.15 0.09 -1.93 0.00 0.00 178.83 175.23 1wuz n ASN 55 N -5.39 4.38 0.00 -0.69 3.02 -1.23 -5.02 115.26 110.32 1wuz n ASN 55 Ca -0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 1wuz n ASN 55 Cb 0.37 0.83 0.00 0.00 -0.61 0.00 0.00 39.78 40.37 1wuz n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wuz n GLY 56 N 2.61 2.17 3.63 7.41 0.00 0.10 -4.93 105.19 116.19 1wuz n GLY 56 Ca -0.02 0.00 -0.38 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 -1.21 3.70 -3.50 -0.61 0.13 -1.26 -3.72 119.36 112.89 1wuz n ILE 57 Ca 0.00 -0.50 -0.38 0.00 -1.10 0.00 0.00 62.75 60.77 1wuz n ILE 57 Cb 0.00 -1.22 -0.09 0.00 -0.84 0.00 0.00 39.64 37.49 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 -2.20 4.09 0.26 9.51 1.98 -1.24 -2.54 118.68 128.55 1wuz s LEU 58 Ca 0.75 0.25 0.10 0.00 -2.89 0.00 0.00 54.13 52.34 1wuz s LEU 58 Cb -0.42 -2.31 -0.04 0.00 0.66 0.00 0.00 46.19 44.07 1wuz s LEU 58 CO 0.48 -0.06 -0.01 0.72 -1.89 0.00 0.00 176.35 175.58 1wuz s PHE 59 N 1.52 2.69 0.38 5.38 -0.71 -1.03 -1.85 117.98 124.36 1wuz s PHE 59 Ca 0.13 -0.22 -0.26 0.00 -1.04 0.00 0.00 56.93 55.54 1wuz s PHE 59 Cb -0.15 -1.20 -0.09 0.00 -1.21 0.00 0.00 43.02 40.38 1wuz s PHE 59 CO 0.08 0.62 1.16 0.08 -1.34 0.00 0.00 175.22 175.82 1wuz s VAL 60 N -2.30 3.19 -0.29 -2.49 1.01 -0.64 -2.60 120.40 116.28 1wuz s VAL 60 Ca 0.31 1.03 0.20 0.00 0.00 0.00 0.00 61.98 63.52 1wuz s VAL 60 Cb -0.06 -3.59 0.48 0.00 0.00 0.00 0.00 36.38 33.20 1wuz s VAL 60 CO 0.20 0.12 1.21 -3.20 0.00 0.00 0.00 175.10 173.43 1wuz n ASN 61 N 0.26 0.70 -0.95 3.32 5.15 -0.99 -1.99 115.26 120.76 1wuz n ASN 61 Ca 0.03 -2.15 0.00 0.00 -0.60 0.00 0.00 54.58 51.87 1wuz n ASN 61 Cb 0.46 -0.15 0.00 0.00 -0.53 0.00 0.00 39.78 39.56 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 -0.78 0.00 -4.61 1.20 3.41 -0.87 -4.19 113.62 107.77 1wuz n SER 62 Ca 0.01 -0.95 -0.39 0.00 -0.26 0.00 0.00 58.87 57.28 1wuz n SER 62 Cb 0.82 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.69 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 -1.85 4.03 -0.02 4.33 1.81 -1.26 -4.66 118.95 121.34 1wuz s ARG 63 Ca 0.00 0.09 0.12 0.00 -1.72 0.00 0.00 55.73 54.22 1wuz s ARG 63 Cb 0.00 -3.65 -0.19 0.00 -0.45 0.00 0.00 34.95 30.66 1wuz s ARG 63 CO 0.00 -0.28 0.29 -0.89 -0.68 0.00 0.00 175.30 173.74 1wuz n ILE 64 N 5.11 0.00 -1.50 1.52 -0.00 -1.26 -4.05 119.36 119.18 1wuz n ILE 64 Ca -0.08 -0.28 -0.45 0.00 -0.00 0.00 0.00 62.75 61.94 1wuz n ILE 64 Cb 0.51 0.28 -0.02 0.00 -0.00 0.00 0.00 39.64 40.41 1wuz n ILE 64 CO 0.00 0.00 0.00 -0.67 -0.00 0.00 0.00 176.55 175.88 1wuz n ASP 65 N -1.88 -0.03 -0.01 4.38 -0.08 -1.26 -3.64 116.55 114.04 1wuz n ASP 65 Ca -0.02 1.11 0.23 0.00 -1.51 0.00 0.00 54.79 54.60 1wuz n ASP 65 Cb 0.31 -1.14 0.72 0.00 2.34 0.00 0.00 41.12 43.36 1wuz n ASP 65 CO 0.00 0.00 0.00 0.08 0.12 0.00 0.00 177.20 177.40 1wuz h ARG 66 N 1.41 0.00 -0.13 -0.67 0.11 -1.94 0.51 114.38 113.67 1wuz h ARG 66 Ca -0.36 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.69 1wuz h ARG 66 Cb 1.39 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.46 1wuz h ARG 66 CO 0.57 0.00 -0.04 1.49 0.10 0.00 0.00 179.97 182.09 1wuz h GLU 67 N 0.00 0.26 0.00 0.08 4.81 -1.86 0.31 114.58 118.18 1wuz h GLU 67 Ca 0.28 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.39 1wuz h GLU 67 Cb 1.36 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.72 1wuz h GLU 67 CO -0.00 0.57 -0.20 0.93 -0.73 0.00 0.00 179.01 179.57 1wuz h GLU 68 N -0.06 0.00 0.00 1.92 4.39 -1.30 -3.41 114.58 116.12 1wuz h GLU 68 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1wuz h GLU 68 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1wuz h GLU 68 CO 0.02 0.39 0.00 -0.11 -1.16 0.00 0.00 179.01 178.15 1wuz n LEU 69 N -4.67 0.00 0.08 1.33 0.00 0.16 -4.90 117.00 108.99 1wuz n LEU 69 Ca -0.07 0.77 0.00 0.00 0.00 0.00 0.00 56.01 56.71 1wuz n LEU 69 Cb 0.25 -0.27 0.00 0.00 0.00 0.00 0.00 43.42 43.40 1wuz n LEU 69 CO 0.13 -0.27 0.00 0.00 0.00 0.00 0.00 177.39 177.25 1wuz n GLY 71 N -1.46 0.64 0.00 0.00 0.00 0.11 -4.74 105.19 99.73 1wuz n GLY 71 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.88 0.00 -2.60 1.61 1.74 -1.26 -4.94 116.66 110.33 1wuz n ARG 72 Ca -0.05 0.25 -0.30 0.00 -0.77 0.00 0.00 57.85 56.97 1wuz n ARG 72 Cb 0.43 -0.73 -0.02 0.00 -1.02 0.00 0.00 32.46 31.12 1wuz n ARG 72 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wuz s SER 73 N -2.09 6.43 0.60 0.55 0.15 -1.26 -4.94 113.70 113.13 1wuz s SER 73 Ca 0.00 1.18 0.30 0.00 0.70 0.00 0.00 55.95 58.13 1wuz s SER 73 Cb 0.00 -2.35 1.70 0.00 -1.71 0.00 0.00 66.02 63.67 1wuz s SER 73 CO 0.00 -0.54 2.09 0.00 1.20 0.00 0.00 173.24 176.00 1wuz h ALA 74 N 0.72 1.72 -3.38 5.45 0.00 -1.92 -3.39 119.26 118.46 1wuz h ALA 74 Ca -0.47 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.07 1wuz h ALA 74 Cb 1.19 0.01 -0.37 0.00 0.00 0.00 0.00 17.79 18.63 1wuz h ALA 74 CO 0.63 -0.30 -0.75 -1.21 0.00 0.00 0.00 179.25 177.62 1wuz s GLU 75 N -4.55 0.18 -0.06 0.00 2.02 -1.26 -3.99 118.70 111.04 1wuz s GLU 75 Ca -0.05 0.21 0.02 0.00 0.02 0.00 0.00 54.97 55.17 1wuz s GLU 75 Cb 0.14 -0.56 -0.03 0.00 0.10 0.00 0.00 34.13 33.79 1wuz s GLU 75 CO 0.51 -0.24 -0.10 0.00 0.02 0.00 0.00 175.26 175.45 1wuz s SER 77 N -0.76 5.66 -0.02 0.00 0.15 -1.26 -2.56 113.70 114.90 1wuz s SER 77 Ca 0.12 -0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.77 1wuz s SER 77 Cb -0.11 -1.54 0.00 0.00 -1.71 0.00 0.00 66.02 62.66 1wuz s SER 77 CO 0.01 0.12 -0.09 -0.63 1.20 0.00 0.00 173.24 173.85 1wuz s ILE 78 N -1.58 0.76 -0.04 6.45 1.09 -0.58 -5.02 121.20 122.28 1wuz s ILE 78 Ca 0.31 -0.36 0.04 0.00 -1.10 0.00 0.00 60.65 59.54 1wuz s ILE 78 Cb -0.11 -0.67 -0.03 0.00 -1.06 0.00 0.00 42.46 40.59 1wuz s ILE 78 CO 0.24 0.23 -0.14 -1.00 -0.10 0.00 0.00 174.94 174.17 1wuz s HIS 79 N 0.13 2.69 0.05 3.97 3.76 -1.26 -1.85 115.29 122.78 1wuz s HIS 79 Ca -0.02 -0.16 -0.07 0.00 -0.15 0.00 0.00 55.06 54.65 1wuz s HIS 79 Cb -0.08 -1.61 -0.00 0.00 1.11 0.00 0.00 32.58 32.00 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 -0.82 1.60 -0.15 0.89 0.20 0.91 -4.59 118.68 116.72 1wuz s LEU 80 Ca 0.12 -0.50 -0.02 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 0.01 -0.56 0.02 -1.61 -0.29 0.00 0.00 176.35 173.92 1wuz s GLU 81 N -2.80 0.69 -0.50 1.98 2.02 -0.87 -0.21 118.70 119.02 1wuz s GLU 81 Ca -0.03 -0.26 -0.21 0.00 0.02 0.00 0.00 54.97 54.49 1wuz s GLU 81 Cb 0.00 -1.75 0.05 0.00 0.10 0.00 0.00 34.13 32.53 1wuz s GLU 81 CO -0.05 -0.52 0.69 0.08 0.02 0.00 0.00 175.26 175.48 1wuz s VAL 82 N 1.88 4.76 0.08 2.63 1.01 0.02 -2.12 120.40 128.66 1wuz s VAL 82 Ca 0.01 -0.17 -0.24 0.00 0.00 0.00 0.00 61.98 61.58 1wuz s VAL 82 Cb -0.15 -4.32 -0.06 0.00 0.00 0.00 0.00 36.38 31.84 1wuz s VAL 82 CO -0.07 -0.81 0.74 -0.63 0.00 0.00 0.00 175.10 174.32 1wuz s ILE 83 N 2.95 4.64 -0.05 2.22 1.09 0.45 -0.25 121.20 132.25 1wuz s ILE 83 Ca 0.20 1.58 0.03 0.00 -1.10 0.00 0.00 60.65 61.36 1wuz s ILE 83 Cb -0.16 -4.09 0.01 0.00 -1.06 0.00 0.00 42.46 37.15 1wuz s ILE 83 CO 0.15 0.43 -0.13 0.68 -0.10 0.00 0.00 174.94 175.98 1wuz s VAL 84 N -0.50 1.12 -0.35 2.92 -7.23 0.70 -0.31 120.40 116.76 1wuz s VAL 84 Ca 0.36 -0.52 -0.12 0.00 -1.81 0.00 0.00 61.98 59.89 1wuz s VAL 84 Cb -0.21 -1.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.73 1wuz s VAL 84 CO 0.23 0.34 0.23 -0.62 -0.31 0.00 0.00 175.10 174.98 1wuz s ASP 85 N 0.35 5.94 -0.22 4.85 -1.08 -0.41 -2.02 116.67 124.07 1wuz s ASP 85 Ca -0.08 -0.61 -0.05 0.00 -0.52 0.00 0.00 52.55 51.29 1wuz s ASP 85 Cb -0.13 -2.10 0.01 0.00 -1.46 0.00 0.00 42.92 39.24 1wuz s ASP 85 CO 0.02 -0.29 0.18 0.54 0.52 0.00 0.00 175.17 176.14 1wuz n ARG 86 N 5.08 -1.79 -1.39 4.34 3.00 -1.26 -3.41 116.66 121.23 1wuz n ARG 86 Ca -0.12 1.69 -0.32 0.00 -0.01 0.00 0.00 57.85 59.09 1wuz n ARG 86 Cb 0.49 -3.84 0.08 0.00 0.00 0.00 0.00 32.46 29.19 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 -1.47 2.40 -0.40 5.56 0.04 -1.26 -4.26 135.00 135.60 1wuz s PRO 87 Ca 0.07 1.23 -0.21 0.00 0.04 0.00 0.00 61.00 62.13 1wuz s PRO 87 Cb -0.02 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.62 1wuz s PRO 87 CO 0.47 -1.54 0.68 -0.51 0.04 0.00 0.00 177.00 176.13 1wuz s LEU 88 N -5.65 4.33 -0.09 -3.56 1.02 -1.25 -4.62 118.68 108.86 1wuz s LEU 88 Ca 0.63 -0.05 -0.32 0.00 0.02 0.00 0.00 54.13 54.40 1wuz s LEU 88 Cb -0.18 -2.81 0.14 0.00 0.02 0.00 0.00 46.19 43.35 1wuz s LEU 88 CO 0.52 -0.73 1.43 -1.10 0.02 0.00 0.00 176.35 176.49 1wuz s GLN 89 N 2.88 0.02 0.09 1.70 -1.52 -0.86 -5.02 119.66 116.95 1wuz s GLN 89 Ca 0.25 -0.01 0.06 0.00 -1.95 0.00 0.00 55.36 53.71 1wuz s GLN 89 Cb -0.14 0.01 -0.03 0.00 -0.22 0.00 0.00 33.01 32.63 1wuz s GLN 89 CO 0.18 -0.01 -0.15 0.54 -0.25 0.00 0.00 175.29 175.59 1wuz s VAL 90 N -2.02 1.26 -0.15 1.09 0.11 -1.26 -0.21 120.40 119.22 1wuz s VAL 90 Ca 0.19 -1.44 -0.02 0.00 -2.93 0.00 0.00 61.98 57.78 1wuz s VAL 90 Cb 0.06 -1.26 -0.02 0.00 -1.53 0.00 0.00 36.38 33.63 1wuz s VAL 90 CO -0.06 -0.24 -0.09 -0.36 -3.33 0.00 0.00 175.10 171.02 1wuz s PHE 91 N -1.45 2.90 -0.35 1.54 0.08 0.66 -4.89 117.98 116.46 1wuz s PHE 91 Ca 0.02 -0.56 -0.27 0.00 0.12 0.00 0.00 56.93 56.24 1wuz s PHE 91 Cb -0.09 -1.91 0.01 0.00 -0.57 0.00 0.00 43.02 40.46 1wuz s PHE 91 CO 0.03 -0.19 0.96 -1.58 -0.10 0.00 0.00 175.22 174.33 1wuz s HIS 92 N 0.49 3.11 -0.06 0.36 2.46 -0.37 -0.80 115.29 120.47 1wuz s HIS 92 Ca -0.07 0.90 0.03 0.00 0.47 0.00 0.00 55.06 56.39 1wuz s HIS 92 Cb -0.15 -3.63 -0.02 0.00 -0.13 0.00 0.00 32.58 28.64 1wuz s HIS 92 CO 0.04 -0.79 -0.13 0.08 -2.47 0.00 0.00 174.74 171.46 1wuz s VAL 93 N 3.49 3.14 -0.24 0.89 1.01 0.70 -2.01 120.40 127.38 1wuz s VAL 93 Ca 0.40 -0.69 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 1wuz s VAL 93 Cb -0.12 -2.25 0.08 0.00 0.00 0.00 0.00 36.38 34.09 1wuz s VAL 93 CO 0.17 0.58 0.07 -1.61 0.00 0.00 0.00 175.10 174.32 1wuz s GLU 94 N -0.61 0.53 -0.16 2.72 2.02 0.17 -0.06 118.70 123.31 1wuz s GLU 94 Ca 0.09 -0.58 -0.06 0.00 0.02 0.00 0.00 54.97 54.44 1wuz s GLU 94 Cb -0.11 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 32.21 1wuz s GLU 94 CO 0.01 -0.81 0.03 0.14 0.02 0.00 0.00 175.26 174.66 1wuz s VAL 95 N 1.87 4.54 0.16 2.63 -7.23 -0.77 -1.96 120.40 119.63 1wuz s VAL 95 Ca 0.04 -0.13 0.05 0.00 -1.81 0.00 0.00 61.98 60.13 1wuz s VAL 95 Cb -0.17 -3.01 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 1wuz s VAL 95 CO -0.18 0.49 0.13 -0.70 -0.31 0.00 0.00 175.10 174.54 1wuz s GLU 96 N 0.16 2.90 -0.18 4.82 2.12 -1.11 -1.53 118.70 125.86 1wuz s GLU 96 Ca 0.03 -0.86 -0.07 0.00 0.36 0.00 0.00 54.97 54.42 1wuz s GLU 96 Cb -0.13 -2.65 -0.04 0.00 0.26 0.00 0.00 34.13 31.58 1wuz s GLU 96 CO 0.01 0.49 0.05 0.14 -0.54 0.00 0.00 175.26 175.41 1wuz s VAL 97 N -1.74 4.65 -0.37 3.70 -7.23 -1.06 -2.55 120.40 115.80 1wuz s VAL 97 Ca 0.31 -0.08 -0.19 0.00 -1.81 0.00 0.00 61.98 60.21 1wuz s VAL 97 Cb -0.10 -3.10 0.00 0.00 0.56 0.00 0.00 36.38 33.75 1wuz s VAL 97 CO 0.23 0.45 0.56 -0.60 -0.31 0.00 0.00 175.10 175.44 1wuz s ARG 98 N 0.48 3.54 0.01 4.82 3.00 -1.02 -4.40 118.95 125.38 1wuz s ARG 98 Ca 0.02 -0.18 -0.12 0.00 -1.00 0.00 0.00 55.73 54.45 1wuz s ARG 98 Cb -0.13 -3.84 0.04 0.00 0.00 0.00 0.00 34.95 31.02 1wuz s ARG 98 CO 0.01 -0.75 0.57 -0.25 0.00 0.00 0.00 175.30 174.88 1wuz n ASP 99 N 5.90 -0.62 -4.28 -2.12 9.92 -1.26 -2.46 116.55 121.63 1wuz n ASP 99 Ca -0.03 -1.19 -0.18 0.00 -0.53 0.00 0.00 54.79 52.85 1wuz n ASP 99 Cb 0.48 0.97 -0.11 0.00 -0.64 0.00 0.00 41.12 41.83 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 -2.15 1.49 0.05 0.53 2.07 -1.26 -4.69 121.20 117.26 1wuz s ILE 100 Ca 0.13 -1.89 -0.14 0.00 -1.41 0.00 0.00 60.65 57.34 1wuz s ILE 100 Cb -0.01 -1.73 -0.29 0.00 0.13 0.00 0.00 42.46 40.56 1wuz s ILE 100 CO 0.00 -0.46 1.10 -0.55 -1.91 0.00 0.00 174.94 173.12 1wuz h ASN 101 N 3.20 0.87 -0.47 4.50 -1.07 -1.85 -3.22 115.58 117.54 1wuz h ASN 101 Ca -0.40 -0.81 0.14 0.00 0.07 0.00 0.00 56.30 55.30 1wuz h ASN 101 Cb 1.20 -0.27 -0.02 0.00 -2.07 0.00 0.00 38.32 37.16 1wuz h ASN 101 CO 0.54 1.62 0.40 0.44 0.07 0.00 0.00 177.43 180.49 1wuz h ASP 102 N 0.27 0.00 0.00 6.14 3.32 -1.97 -3.49 116.42 120.69 1wuz h ASP 102 Ca -0.19 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.86 1wuz h ASP 102 Cb 1.94 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.49 1wuz h ASP 102 CO 0.24 0.00 0.00 -3.20 -1.72 0.00 0.00 179.24 174.56