#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wuz n ASN 2 N 0.00 -7.47 -0.01 1.61 3.02 -1.26 -4.97 115.26 106.18 1wuz n ASN 2 Ca 0.00 0.02 -0.01 0.00 -0.03 0.00 0.00 54.58 54.57 1wuz n ASN 2 Cb 0.00 -4.83 -0.03 0.00 -0.61 0.00 0.00 39.78 34.32 1wuz n ASN 2 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1wuz n SER 3 N -1.34 4.23 -4.54 6.41 2.88 -1.26 -4.88 113.62 115.12 1wuz n SER 3 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1wuz n SER 3 Cb 0.52 0.71 -0.06 0.00 -0.75 0.00 0.00 64.21 64.63 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 -2.11 3.41 -0.03 -1.46 -2.07 -1.26 -0.93 119.66 115.20 1wuz s GLN 4 Ca -0.01 -0.11 -0.05 0.00 -1.82 0.00 0.00 55.36 53.36 1wuz s GLN 4 Cb 0.01 -3.93 0.01 0.00 -1.09 0.00 0.00 33.01 28.01 1wuz s GLN 4 CO 0.13 -1.10 0.13 0.42 -1.32 0.00 0.00 175.29 173.56 1wuz s ILE 5 N 3.24 0.03 0.03 3.63 1.01 -0.68 -5.03 121.20 123.41 1wuz s ILE 5 Ca 0.29 -0.25 0.00 0.00 0.00 0.00 0.00 60.65 60.70 1wuz s ILE 5 Cb -0.12 -0.27 -0.02 0.00 0.01 0.00 0.00 42.46 42.05 1wuz s ILE 5 CO 0.22 -0.14 -0.03 -1.38 0.00 0.00 0.00 174.94 173.61 1wuz s HIS 6 N -0.43 0.33 0.34 3.97 -3.43 -1.26 -0.80 115.29 114.01 1wuz s HIS 6 Ca -0.05 -0.59 0.05 0.00 -0.80 0.00 0.00 55.06 53.67 1wuz s HIS 6 Cb -0.03 -0.23 -0.07 0.00 -1.43 0.00 0.00 32.58 30.82 1wuz s HIS 6 CO 0.01 -0.20 0.04 0.71 -2.00 0.00 0.00 174.74 173.29 1wuz s TYR 7 N -1.73 2.07 -0.10 0.38 2.02 -0.26 -4.90 117.35 114.83 1wuz s TYR 7 Ca -0.13 -0.87 0.03 0.00 -0.37 0.00 0.00 57.07 55.72 1wuz s TYR 7 Cb -0.08 -1.36 0.01 0.00 -0.40 0.00 0.00 41.96 40.13 1wuz s TYR 7 CO -0.02 0.12 -0.18 -1.54 -1.57 0.00 0.00 175.55 172.36 1wuz s SER 8 N -3.52 2.63 -0.19 2.29 1.04 -0.91 -2.73 113.70 112.29 1wuz s SER 8 Ca 0.35 -0.47 -0.05 0.00 0.48 0.00 0.00 55.95 56.27 1wuz s SER 8 Cb 0.08 -1.20 0.10 0.00 0.10 0.00 0.00 66.02 65.10 1wuz s SER 8 CO 0.16 0.07 0.33 -0.51 0.98 0.00 0.00 173.24 174.27 1wuz s ILE 9 N 0.70 -0.52 0.37 -1.02 1.10 -1.06 -4.44 121.20 116.33 1wuz s ILE 9 Ca -0.12 0.08 -0.26 0.00 -0.51 0.00 0.00 60.65 59.84 1wuz s ILE 9 Cb -0.16 -0.65 -0.09 0.00 0.15 0.00 0.00 42.46 41.71 1wuz s ILE 9 CO 0.02 -0.02 1.20 -2.16 -2.11 0.00 0.00 174.94 171.88 1wuz s PRO 10 N 2.49 4.17 1.05 3.50 0.04 -1.26 -2.40 135.00 142.60 1wuz s PRO 10 Ca 0.05 1.94 -0.19 0.00 0.04 0.00 0.00 61.00 62.84 1wuz s PRO 10 Cb -0.14 -2.82 0.02 0.00 0.04 0.00 0.00 34.50 31.60 1wuz s PRO 10 CO -0.12 -0.25 -0.25 0.39 0.04 0.00 0.00 177.00 176.82 1wuz n GLU 11 N 0.36 -0.90 -2.13 4.56 1.02 -0.93 -3.29 120.64 119.32 1wuz n GLU 11 Ca 0.03 -0.25 -0.15 0.00 -0.02 0.00 0.00 57.16 56.78 1wuz n GLU 11 Cb 0.45 -1.55 -0.02 0.00 -0.02 0.00 0.00 31.44 30.30 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 -0.82 -1.14 -2.74 3.49 4.07 -1.25 -4.86 120.64 117.40 1wuz n GLU 12 Ca 0.01 0.76 -0.42 0.00 -0.06 0.00 0.00 57.16 57.45 1wuz n GLU 12 Cb 0.62 -5.04 -0.04 0.00 -0.06 0.00 0.00 31.44 26.93 1wuz n GLU 12 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1wuz s ALA 13 N -2.70 3.04 0.78 4.31 0.00 -1.21 -4.91 121.76 121.07 1wuz s ALA 13 Ca 0.00 -1.35 -0.12 0.00 0.00 0.00 0.00 51.96 50.49 1wuz s ALA 13 Cb 0.00 -3.93 0.07 0.00 0.00 0.00 0.00 23.12 19.26 1wuz s ALA 13 CO 0.00 -2.72 1.13 -1.59 0.00 0.00 0.00 175.76 172.58 1wuz s LYS 14 N 4.52 2.01 -0.20 0.00 -2.85 -1.26 -4.52 119.74 117.44 1wuz s LYS 14 Ca 0.31 1.41 -0.37 0.00 -1.00 0.00 0.00 55.97 56.32 1wuz s LYS 14 Cb -0.12 -1.85 -0.13 0.00 -2.06 0.00 0.00 37.83 33.67 1wuz s LYS 14 CO 0.17 -1.87 1.85 0.72 0.10 0.00 0.00 175.35 176.32 1wuz n HIS 15 N -3.37 2.15 0.00 1.78 8.25 -1.26 -1.31 115.22 121.45 1wuz n HIS 15 Ca 0.11 0.27 0.00 0.00 -0.26 0.00 0.00 57.72 57.83 1wuz n HIS 15 Cb 0.52 -2.56 0.00 0.00 1.12 0.00 0.00 29.99 29.07 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 4.49 1.07 3.78 -1.41 0.00 -0.98 -4.95 105.19 107.19 1wuz n GLY 16 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 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 0.46 2.61 2.01 -0.43 -4.69 115.64 117.82 1wuz s THR 17 Ca 0.00 1.83 -0.25 0.00 0.31 0.00 0.00 61.69 63.58 1wuz s THR 17 Cb 0.00 -4.06 -0.08 0.00 0.01 0.00 0.00 72.50 68.37 1wuz s THR 17 CO 0.00 0.23 1.42 0.12 -0.69 0.00 0.00 174.62 175.70 1wuz s PHE 18 N -1.51 2.43 0.11 4.92 5.36 -1.26 -1.28 117.98 126.76 1wuz s PHE 18 Ca 0.47 1.27 0.00 0.00 -0.96 0.00 0.00 56.93 57.71 1wuz s PHE 18 Cb -0.20 -3.91 0.00 0.00 -0.34 0.00 0.00 43.02 38.57 1wuz s PHE 18 CO 0.25 -2.96 0.00 0.28 -1.46 0.00 0.00 175.22 171.34 1wuz n VAL 19 N -0.29 0.29 0.00 3.12 0.31 -0.53 -4.75 118.33 116.48 1wuz n VAL 19 Ca 0.06 0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.48 1wuz n VAL 19 Cb 0.42 -0.96 0.00 0.00 -0.91 0.00 0.00 33.84 32.39 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 2.27 2.28 3.51 2.92 0.00 -1.24 -2.15 105.19 112.79 1wuz n GLY 20 Ca 0.00 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.03 0.52 -0.04 1.61 1.85 -1.26 -3.54 116.66 115.77 1wuz n ARG 21 Ca 0.00 0.02 -0.16 0.00 -1.00 0.00 0.00 57.85 56.70 1wuz n ARG 21 Cb 0.00 -2.41 -0.07 0.00 -1.05 0.00 0.00 32.46 28.93 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 7.80 1.32 0.09 8.89 2.10 -1.89 -2.51 117.51 133.30 1wuz h ILE 22 Ca -0.15 -1.84 -0.00 0.00 1.08 0.00 0.00 64.86 63.95 1wuz h ILE 22 Cb 1.30 2.01 0.00 0.00 -1.09 0.00 0.00 36.82 39.03 1wuz h ILE 22 CO 1.26 0.57 -0.04 0.00 -1.08 0.00 0.00 178.15 178.86 1wuz h ALA 23 N 0.54 -0.12 -1.00 0.18 0.00 -1.87 -1.37 119.26 115.63 1wuz h ALA 23 Ca -0.03 -0.23 0.12 0.00 0.00 0.00 0.00 54.91 54.77 1wuz h ALA 23 Cb 1.23 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.98 1wuz h ALA 23 CO 0.13 -0.32 0.63 0.37 0.00 0.00 0.00 179.25 180.06 1wuz h GLN 24 N -0.63 0.94 0.00 0.00 -0.00 -1.87 0.21 115.11 113.76 1wuz h GLN 24 Ca -0.01 -0.06 -0.09 0.00 -0.00 0.00 0.00 58.65 58.49 1wuz h GLN 24 Cb 0.51 -0.21 -0.01 0.00 0.00 0.00 0.00 27.48 27.76 1wuz h GLN 24 CO 0.02 0.62 -0.43 -0.44 0.00 0.00 0.00 178.83 178.60 1wuz h ASP 25 N 0.97 0.00 0.16 -0.69 3.32 -1.45 -3.21 116.42 115.52 1wuz h ASP 25 Ca 0.49 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 57.25 1wuz h ASP 25 Cb 0.51 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.09 1wuz h ASP 25 CO -0.26 0.43 -1.22 -0.07 -1.72 0.00 0.00 179.24 176.40 1wuz h LEU 26 N 0.00 0.84 -0.61 1.55 4.07 0.34 -3.49 115.31 118.01 1wuz h LEU 26 Ca -0.00 -0.77 0.00 0.00 0.08 0.00 0.00 57.88 57.19 1wuz h LEU 26 Cb 1.07 -0.27 0.00 0.00 1.08 0.00 0.00 40.66 42.55 1wuz h LEU 26 CO 0.06 1.58 0.00 0.61 -1.08 0.00 0.00 178.44 179.60 1wuz n GLY 27 N 1.34 0.75 1.30 0.83 0.00 0.49 -4.92 105.19 104.98 1wuz n GLY 27 Ca -0.13 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.31 0.00 -4.83 0.99 4.77 -1.23 -5.09 117.00 111.30 1wuz n LEU 28 Ca 0.00 -1.22 -0.32 0.00 -0.03 0.00 0.00 56.01 54.44 1wuz n LEU 28 Cb 0.21 0.42 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 1wuz n LEU 28 CO 0.00 -0.19 -0.21 -0.70 -1.33 0.00 0.00 177.39 174.96 1wuz s GLU 29 N -2.60 3.19 0.40 3.23 2.56 -1.26 -4.82 118.70 119.39 1wuz s GLU 29 Ca 0.09 -0.47 0.18 0.00 0.00 0.00 0.00 54.97 54.77 1wuz s GLU 29 Cb 0.00 -2.92 0.82 0.00 2.00 0.00 0.00 34.13 34.03 1wuz s GLU 29 CO 0.06 0.63 1.82 -0.07 -0.56 0.00 0.00 175.26 177.14 1wuz h LEU 30 N 3.73 0.00 -1.66 2.70 -0.00 -1.93 -2.40 115.31 115.76 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 0.67 0.34 0.00 0.35 -0.00 0.00 0.00 178.44 179.80 1wuz n THR 31 N -3.72 0.22 0.81 0.22 -2.24 -1.26 -3.89 114.28 104.41 1wuz n THR 31 Ca -0.01 -0.49 0.08 0.00 -2.27 0.00 0.00 64.05 61.36 1wuz n THR 31 Cb 0.44 0.85 -0.09 0.00 -2.10 0.00 0.00 70.33 69.43 1wuz n THR 31 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1wuz n GLU 32 N 0.91 1.33 -0.14 -0.78 4.07 -0.91 -4.44 120.64 120.67 1wuz n GLU 32 Ca 0.17 -0.06 -0.11 0.00 -0.06 0.00 0.00 57.16 57.10 1wuz n GLU 32 Cb 0.48 -1.32 -0.01 0.00 -0.06 0.00 0.00 31.44 30.54 1wuz n GLU 32 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1wuz h LEU 33 N 0.14 0.75 0.16 4.31 3.38 -1.65 -1.20 115.31 121.21 1wuz h LEU 33 Ca 0.00 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1wuz h LEU 33 Cb 0.42 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.92 1wuz h LEU 33 CO 0.00 0.90 -0.45 0.58 0.09 0.00 0.00 178.44 179.56 1wuz h VAL 34 N 0.59 0.12 0.00 1.22 2.07 -1.82 -1.30 116.25 117.13 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 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 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 -0.71 0.00 -0.24 1.57 0.13 -1.81 -2.36 132.00 128.58 1wuz h PRO 35 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.14 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 -0.23 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.08 1wuz n ARG 36 N -2.50 1.73 -3.90 0.86 1.74 -0.46 -4.87 116.66 109.26 1wuz n ARG 36 Ca 0.02 -1.11 -0.32 0.00 -0.77 0.00 0.00 57.85 55.67 1wuz n ARG 36 Cb 0.25 -1.33 0.01 0.00 -1.02 0.00 0.00 32.46 30.36 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 0.36 -2.01 -4.73 0.55 7.99 -0.89 -1.40 117.00 116.86 1wuz n LEU 37 Ca 0.14 -1.09 -0.42 0.00 -0.01 0.00 0.00 56.01 54.64 1wuz n LEU 37 Cb 0.30 -2.13 -0.02 0.00 -0.11 0.00 0.00 43.42 41.45 1wuz n LEU 37 CO 0.11 0.52 1.22 0.12 -1.51 0.00 0.00 177.39 177.84 1wuz s PHE 38 N -3.73 2.94 -0.11 -1.77 5.36 -1.03 -2.67 117.98 116.98 1wuz s PHE 38 Ca 0.27 0.75 -0.09 0.00 -0.96 0.00 0.00 56.93 56.90 1wuz s PHE 38 Cb -0.11 -3.96 0.03 0.00 -0.34 0.00 0.00 43.02 38.63 1wuz s PHE 38 CO 0.90 -3.37 0.28 1.03 -1.46 0.00 0.00 175.22 172.60 1wuz s ARG 39 N 0.25 0.30 -0.13 10.12 0.52 -0.10 -5.00 118.95 124.92 1wuz s ARG 39 Ca 0.66 0.44 -0.05 0.00 -0.52 0.00 0.00 55.73 56.25 1wuz s ARG 39 Cb -0.45 0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.06 1wuz s ARG 39 CO 0.39 -0.07 0.07 0.08 0.02 0.00 0.00 175.30 175.79 1wuz s VAL 40 N 0.47 4.90 0.06 3.52 1.01 -1.26 -0.67 120.40 128.42 1wuz s VAL 40 Ca -0.03 -0.01 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 1wuz s VAL 40 Cb -0.04 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.19 1wuz s VAL 40 CO -0.02 0.57 0.12 0.00 0.00 0.00 0.00 175.10 175.76 1wuz s ALA 41 N -0.58 -0.06 0.06 5.51 0.00 -0.70 -4.89 121.76 121.11 1wuz s ALA 41 Ca 0.11 -0.65 -0.06 0.00 0.00 0.00 0.00 51.96 51.37 1wuz s ALA 41 Cb -0.12 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.32 1wuz s ALA 41 CO 0.02 -0.39 0.10 0.45 0.00 0.00 0.00 175.76 175.94 1wuz s SER 42 N -2.47 0.23 -0.15 0.00 0.15 -1.26 -1.36 113.70 108.83 1wuz s SER 42 Ca -0.00 -0.67 0.14 0.00 0.70 0.00 0.00 55.95 56.13 1wuz s SER 42 Cb 0.02 0.26 0.69 0.00 -1.71 0.00 0.00 66.02 65.27 1wuz s SER 42 CO -0.07 -0.60 1.57 1.17 1.20 0.00 0.00 173.24 176.51 1wuz n LYS 43 N 0.37 3.94 0.00 5.44 4.81 -1.26 -4.07 118.16 127.40 1wuz n LYS 43 Ca -0.17 -2.67 0.00 0.00 -0.87 0.00 0.00 58.31 54.61 1wuz n LYS 43 Cb 0.60 -2.00 0.00 0.00 0.02 0.00 0.00 35.03 33.65 1wuz n LYS 43 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1wuz n ASP 44 N 0.78 0.00 -0.00 3.14 8.00 -1.26 -4.97 116.55 122.24 1wuz n ASP 44 Ca 0.24 0.00 0.01 0.00 0.71 0.00 0.00 54.79 55.74 1wuz n ASP 44 Cb 0.95 -0.03 -0.01 0.00 -0.02 0.00 0.00 41.12 42.01 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 -1.58 1.32 -0.40 -1.24 1.74 -1.26 -5.01 116.66 110.23 1wuz n ARG 45 Ca 0.00 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 1wuz n ARG 45 Cb 0.00 -0.94 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 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 2.15 1.81 2.27 -0.13 0.00 -1.26 -4.90 105.19 105.12 1wuz n GLY 46 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 1.11 -0.12 1.61 9.92 -1.26 -4.49 116.55 123.32 1wuz n ASP 47 Ca 0.00 -2.93 -0.23 0.00 -0.53 0.00 0.00 54.79 51.11 1wuz n ASP 47 Cb 0.00 -0.64 -0.11 0.00 -0.64 0.00 0.00 41.12 39.73 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 1.02 2.51 -4.07 0.64 4.32 -1.26 -4.39 117.00 115.77 1wuz n LEU 48 Ca 0.24 0.11 -0.14 0.00 -0.02 0.00 0.00 56.01 56.20 1wuz n LEU 48 Cb 0.53 -0.91 -0.04 0.00 -1.62 0.00 0.00 43.42 41.38 1wuz n LEU 48 CO 0.23 0.76 0.15 -0.76 -1.22 0.00 0.00 177.39 176.55 1wuz s LEU 49 N -7.02 0.89 -0.02 2.23 1.02 -1.26 -2.02 118.68 112.51 1wuz s LEU 49 Ca -0.34 -1.40 -0.19 0.00 0.02 0.00 0.00 54.13 52.21 1wuz s LEU 49 Cb 0.11 1.53 0.03 0.00 0.02 0.00 0.00 46.19 47.88 1wuz s LEU 49 CO 0.58 -1.28 0.40 -1.61 0.02 0.00 0.00 176.35 174.45 1wuz s GLU 50 N -3.16 0.78 -0.05 1.70 0.41 -1.08 -4.77 118.70 112.53 1wuz s GLU 50 Ca 0.29 -0.12 -0.03 0.00 -0.41 0.00 0.00 54.97 54.71 1wuz s GLU 50 Cb -0.00 0.35 -0.04 0.00 -1.78 0.00 0.00 34.13 32.66 1wuz s GLU 50 CO 0.18 -0.23 0.10 0.54 -0.49 0.00 0.00 175.26 175.37 1wuz s VAL 51 N -1.43 5.00 -0.27 2.63 0.11 -1.26 -2.18 120.40 122.99 1wuz s VAL 51 Ca -0.12 -0.17 -0.12 0.00 -2.93 0.00 0.00 61.98 58.64 1wuz s VAL 51 Cb -0.04 -3.24 -0.05 0.00 -1.53 0.00 0.00 36.38 31.53 1wuz s VAL 51 CO 0.05 0.46 0.22 0.21 -3.33 0.00 0.00 175.10 172.71 1wuz s ASN 52 N -1.44 6.07 0.00 3.54 2.47 -1.04 -4.94 114.94 119.60 1wuz s ASN 52 Ca 0.20 0.06 0.18 0.00 0.42 0.00 0.00 52.86 53.71 1wuz s ASN 52 Cb -0.12 -2.14 0.82 0.00 -1.45 0.00 0.00 41.25 38.36 1wuz s ASN 52 CO 0.10 -0.06 1.54 0.18 -3.72 0.00 0.00 177.10 175.14 1wuz n LEU 53 N 5.04 0.00 0.35 3.21 4.77 -1.26 -0.01 117.00 129.10 1wuz n LEU 53 Ca -0.13 0.39 -0.14 0.00 -0.03 0.00 0.00 56.01 56.10 1wuz n LEU 53 Cb 0.52 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1wuz n LEU 53 CO 0.34 -0.16 0.39 -0.61 -1.33 0.00 0.00 177.39 176.02 1wuz h GLN 54 N 0.00 -0.88 0.00 3.23 5.75 -1.92 -3.41 115.11 117.89 1wuz h GLN 54 Ca 0.00 0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 1wuz h GLN 54 Cb 0.23 0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.98 1wuz h GLN 54 CO 0.00 -0.59 -1.16 0.09 -2.65 0.00 0.00 178.83 174.53 1wuz n ASN 55 N -5.15 4.32 0.00 -0.69 4.13 -1.23 -5.02 115.26 111.62 1wuz n ASN 55 Ca -0.11 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.15 1wuz n ASN 55 Cb 0.36 0.91 0.00 0.00 -1.54 0.00 0.00 39.78 39.51 1wuz n ASN 55 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1wuz n GLY 56 N 2.53 2.25 3.66 7.41 0.00 0.99 -4.94 105.19 117.09 1wuz n GLY 56 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.22 3.07 -3.50 -0.61 0.13 -1.26 -3.78 119.36 112.20 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 -1.37 -0.09 0.00 -0.84 0.00 0.00 39.64 37.34 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 -1.81 4.11 0.27 9.51 1.98 -1.23 -2.49 118.68 129.02 1wuz s LEU 58 Ca 0.67 0.29 0.09 0.00 -2.89 0.00 0.00 54.13 52.29 1wuz s LEU 58 Cb -0.48 -2.33 -0.04 0.00 0.66 0.00 0.00 46.19 44.00 1wuz s LEU 58 CO 0.53 -0.05 0.08 0.72 -1.89 0.00 0.00 176.35 175.74 1wuz s PHE 59 N 1.41 2.81 0.40 5.38 -0.71 -0.93 -1.45 117.98 124.90 1wuz s PHE 59 Ca 0.13 -0.22 -0.24 0.00 -1.04 0.00 0.00 56.93 55.57 1wuz s PHE 59 Cb -0.15 -1.32 -0.09 0.00 -1.21 0.00 0.00 43.02 40.25 1wuz s PHE 59 CO 0.07 0.55 1.06 0.08 -1.34 0.00 0.00 175.22 175.64 1wuz s VAL 60 N -2.29 3.65 -0.31 -2.49 1.01 -0.40 -2.63 120.40 116.94 1wuz s VAL 60 Ca 0.33 1.27 0.18 0.00 0.00 0.00 0.00 61.98 63.76 1wuz s VAL 60 Cb -0.06 -3.65 0.46 0.00 0.00 0.00 0.00 36.38 33.13 1wuz s VAL 60 CO 0.22 0.01 1.13 -3.20 0.00 0.00 0.00 175.10 173.25 1wuz n ASN 61 N -0.10 0.73 -1.33 3.32 5.15 -0.85 -2.33 115.26 119.84 1wuz n ASN 61 Ca 0.05 -2.38 0.00 0.00 -0.60 0.00 0.00 54.58 51.65 1wuz n ASN 61 Cb 0.49 -0.18 0.00 0.00 -0.53 0.00 0.00 39.78 39.57 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 -0.49 -0.18 -4.61 1.20 3.41 -1.06 -4.06 113.62 107.84 1wuz n SER 62 Ca 0.04 -1.07 -0.41 0.00 -0.26 0.00 0.00 58.87 57.17 1wuz n SER 62 Cb 0.82 0.29 -0.06 0.00 -0.26 0.00 0.00 64.21 65.00 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 -2.00 3.95 -0.01 4.33 3.00 -1.26 -4.75 118.95 122.21 1wuz s ARG 63 Ca 0.03 0.36 0.13 0.00 0.00 0.00 0.00 55.73 56.25 1wuz s ARG 63 Cb -0.00 -3.71 -0.18 0.00 0.00 0.00 0.00 34.95 31.06 1wuz s ARG 63 CO 0.00 -0.53 0.33 -0.89 0.00 0.00 0.00 175.30 174.21 1wuz n ILE 64 N 5.35 0.00 -1.55 1.52 2.08 -1.26 -4.13 119.36 121.36 1wuz n ILE 64 Ca -0.01 -0.27 -0.46 0.00 0.56 0.00 0.00 62.75 62.57 1wuz n ILE 64 Cb 0.49 0.38 -0.02 0.00 -0.75 0.00 0.00 39.64 39.74 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 -1.80 0.85 -0.22 4.38 5.75 -1.26 -3.74 116.55 120.51 1wuz n ASP 65 Ca -0.01 1.17 0.28 0.00 -0.01 0.00 0.00 54.79 56.22 1wuz n ASP 65 Cb 0.30 -1.22 0.69 0.00 -1.03 0.00 0.00 41.12 39.86 1wuz n ASP 65 CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 1wuz h ARG 66 N 2.00 0.07 -0.41 0.11 0.11 -1.94 0.52 114.38 114.84 1wuz h ARG 66 Ca -0.38 -0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.62 1wuz h ARG 66 Cb 1.36 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.41 1wuz h ARG 66 CO 0.61 0.05 -0.02 1.49 0.10 0.00 0.00 179.97 182.20 1wuz h GLU 67 N 0.07 0.74 0.00 0.08 4.22 -1.87 0.36 114.58 118.19 1wuz h GLU 67 Ca 0.47 -0.25 -0.02 0.00 0.08 0.00 0.00 59.36 59.64 1wuz h GLU 67 Cb 1.73 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.91 1wuz h GLU 67 CO -0.05 0.83 -0.22 0.93 -2.18 0.00 0.00 179.01 178.33 1wuz h GLU 68 N 0.57 0.00 0.00 1.92 4.39 -1.01 -3.41 114.58 117.05 1wuz h GLU 68 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1wuz h GLU 68 Cb 0.51 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.16 1wuz h GLU 68 CO 0.02 0.34 0.00 -0.11 -1.16 0.00 0.00 179.01 178.10 1wuz n LEU 69 N -4.68 0.00 0.08 1.33 -0.00 0.15 -4.90 117.00 108.98 1wuz n LEU 69 Ca -0.07 0.87 0.00 0.00 -0.00 0.00 0.00 56.01 56.81 1wuz n LEU 69 Cb 0.23 -0.37 0.00 0.00 -0.00 0.00 0.00 43.42 43.28 1wuz n LEU 69 CO 0.12 -0.37 0.00 0.00 -0.00 0.00 0.00 177.39 177.14 1wuz n GLY 71 N -1.43 1.31 0.45 0.00 0.00 0.12 -4.48 105.19 101.15 1wuz n GLY 71 Ca 0.00 -0.02 0.27 0.00 0.00 0.00 0.00 46.02 46.26 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 0.00 0.04 -4.44 1.61 3.08 -1.97 -3.34 114.38 109.36 1wuz h ARG 72 Ca 0.00 -0.00 -0.72 0.00 0.07 0.00 0.00 59.98 59.32 1wuz h ARG 72 Cb 0.00 -0.01 -0.24 0.00 0.08 0.00 0.00 29.97 29.81 1wuz h ARG 72 CO 0.00 0.02 -0.42 -1.12 -1.07 0.00 0.00 179.97 177.39 1wuz s SER 73 N -5.69 5.96 0.38 7.04 0.01 -1.26 -4.95 113.70 115.18 1wuz s SER 73 Ca -0.05 -1.19 0.14 0.00 1.31 0.00 0.00 55.95 56.16 1wuz s SER 73 Cb 0.21 -2.11 0.97 0.00 0.21 0.00 0.00 66.02 65.31 1wuz s SER 73 CO 0.77 -0.52 1.82 0.00 0.41 0.00 0.00 173.24 175.71 1wuz h ALA 74 N 8.59 2.04 -3.67 1.44 0.00 -1.94 -3.33 119.26 122.38 1wuz h ALA 74 Ca -0.26 0.04 -0.67 0.00 0.00 0.00 0.00 54.91 54.02 1wuz h ALA 74 Cb 1.11 -0.04 -0.37 0.00 0.00 0.00 0.00 17.79 18.48 1wuz h ALA 74 CO 0.78 -0.36 -0.73 -1.83 0.00 0.00 0.00 179.25 177.10 1wuz s GLU 75 N -5.58 1.96 -0.15 0.00 -1.05 -1.26 -4.65 118.70 107.97 1wuz s GLU 75 Ca -0.09 -1.59 -0.02 0.00 -0.15 0.00 0.00 54.97 53.12 1wuz s GLU 75 Cb 0.24 -3.13 -0.02 0.00 -0.44 0.00 0.00 34.13 30.78 1wuz s GLU 75 CO 0.79 -0.77 -0.08 0.00 0.95 0.00 0.00 175.26 176.15 1wuz s SER 77 N 0.54 6.01 -0.02 0.00 0.01 -1.26 -2.46 113.70 116.53 1wuz s SER 77 Ca -0.06 0.20 0.04 0.00 1.31 0.00 0.00 55.95 57.44 1wuz s SER 77 Cb -0.15 -1.79 -0.01 0.00 0.21 0.00 0.00 66.02 64.29 1wuz s SER 77 CO 0.03 0.22 -0.13 -0.63 0.41 0.00 0.00 173.24 173.14 1wuz s ILE 78 N -1.35 1.08 -0.03 1.44 1.09 -0.56 -5.02 121.20 117.85 1wuz s ILE 78 Ca 0.29 -0.56 0.04 0.00 -1.10 0.00 0.00 60.65 59.32 1wuz s ILE 78 Cb -0.12 -0.91 -0.03 0.00 -1.06 0.00 0.00 42.46 40.34 1wuz s ILE 78 CO 0.21 0.31 -0.14 -1.00 -0.10 0.00 0.00 174.94 174.21 1wuz s HIS 79 N -0.18 2.68 0.05 3.97 3.76 -1.26 -1.89 115.29 122.41 1wuz s HIS 79 Ca 0.03 -0.17 -0.07 0.00 -0.15 0.00 0.00 55.06 54.70 1wuz s HIS 79 Cb -0.07 -1.59 -0.01 0.00 1.11 0.00 0.00 32.58 32.02 1wuz s HIS 79 CO 0.00 0.21 0.13 -1.17 -0.85 0.00 0.00 174.74 173.07 1wuz s LEU 80 N -0.94 1.65 -0.16 0.89 0.20 0.85 -4.58 118.68 116.59 1wuz s LEU 80 Ca 0.13 -0.52 -0.02 0.00 0.69 0.00 0.00 54.13 54.41 1wuz s LEU 80 Cb -0.11 0.75 0.05 0.00 -0.43 0.00 0.00 46.19 46.45 1wuz s LEU 80 CO 0.02 -0.56 0.00 -1.61 -0.29 0.00 0.00 176.35 173.92 1wuz s GLU 81 N -2.81 0.85 -0.47 1.98 2.02 -0.46 -0.90 118.70 118.91 1wuz s GLU 81 Ca -0.03 -0.33 -0.21 0.00 0.02 0.00 0.00 54.97 54.42 1wuz s GLU 81 Cb 0.00 -1.83 0.03 0.00 0.10 0.00 0.00 34.13 32.44 1wuz s GLU 81 CO -0.05 -0.51 0.67 0.08 0.02 0.00 0.00 175.26 175.46 1wuz s VAL 82 N 1.82 4.80 -0.01 2.63 1.01 -0.73 -1.72 120.40 128.20 1wuz s VAL 82 Ca 0.01 -0.03 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 1wuz s VAL 82 Cb -0.16 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 31.91 1wuz s VAL 82 CO -0.07 -0.70 0.67 -0.51 0.00 0.00 0.00 175.10 174.49 1wuz s ILE 83 N 2.88 4.91 -0.02 2.22 -1.16 0.15 -0.75 121.20 129.43 1wuz s ILE 83 Ca 0.21 1.40 0.03 0.00 -0.51 0.00 0.00 60.65 61.79 1wuz s ILE 83 Cb -0.15 -4.01 -0.00 0.00 0.61 0.00 0.00 42.46 38.90 1wuz s ILE 83 CO 0.17 0.35 -0.12 0.68 -2.81 0.00 0.00 174.94 173.22 1wuz s VAL 84 N 0.16 0.98 -0.33 4.00 -7.23 -0.51 -0.92 120.40 116.56 1wuz s VAL 84 Ca 0.35 -0.50 -0.10 0.00 -1.81 0.00 0.00 61.98 59.93 1wuz s VAL 84 Cb -0.19 -0.84 0.01 0.00 0.56 0.00 0.00 36.38 35.92 1wuz s VAL 84 CO 0.19 0.29 0.16 -0.62 -0.31 0.00 0.00 175.10 174.80 1wuz s ASP 85 N -0.05 5.54 -0.18 4.85 2.15 -0.49 -2.46 116.67 126.02 1wuz s ASP 85 Ca 0.00 -0.70 -0.04 0.00 0.43 0.00 0.00 52.55 52.25 1wuz s ASP 85 Cb -0.07 -1.99 0.00 0.00 -0.30 0.00 0.00 42.92 40.56 1wuz s ASP 85 CO 0.00 -0.25 0.14 -1.14 -0.17 0.00 0.00 175.17 173.75 1wuz n ARG 86 N 4.97 -1.50 -1.43 4.34 0.63 -1.26 -3.35 116.66 119.05 1wuz n ARG 86 Ca -0.13 1.50 -0.32 0.00 -0.92 0.00 0.00 57.85 57.98 1wuz n ARG 86 Cb 0.48 -3.39 0.08 0.00 0.45 0.00 0.00 32.46 30.07 1wuz n ARG 86 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1wuz s PRO 87 N -1.28 2.44 -0.43 -0.14 0.04 -1.26 -4.24 135.00 130.13 1wuz s PRO 87 Ca 0.06 1.25 -0.21 0.00 0.04 0.00 0.00 61.00 62.14 1wuz s PRO 87 Cb -0.02 -1.91 0.02 0.00 0.04 0.00 0.00 34.50 32.63 1wuz s PRO 87 CO 0.39 -1.51 0.68 -0.51 0.04 0.00 0.00 177.00 176.09 1wuz s LEU 88 N -5.55 4.41 -0.09 -3.56 2.01 -1.26 -4.65 118.68 109.99 1wuz s LEU 88 Ca 0.63 -0.22 -0.31 0.00 0.01 0.00 0.00 54.13 54.25 1wuz s LEU 88 Cb -0.18 -2.80 0.10 0.00 0.01 0.00 0.00 46.19 43.32 1wuz s LEU 88 CO 0.51 -0.79 1.36 -1.10 1.01 0.00 0.00 176.35 177.34 1wuz s GLN 89 N 2.93 0.07 0.14 1.70 -1.52 -1.03 -5.04 119.66 116.90 1wuz s GLN 89 Ca 0.25 -0.04 0.06 0.00 -1.95 0.00 0.00 55.36 53.67 1wuz s GLN 89 Cb -0.14 0.02 -0.04 0.00 -0.22 0.00 0.00 33.01 32.63 1wuz s GLN 89 CO 0.19 -0.03 -0.14 0.08 -0.25 0.00 0.00 175.29 175.15 1wuz s VAL 90 N -2.00 1.38 -0.22 1.09 1.01 -1.26 -1.42 120.40 118.98 1wuz s VAL 90 Ca 0.32 -1.85 0.01 0.00 0.00 0.00 0.00 61.98 60.46 1wuz s VAL 90 Cb -0.00 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.75 1wuz s VAL 90 CO -0.03 -0.49 -0.13 -0.36 0.00 0.00 0.00 175.10 174.09 1wuz s PHE 91 N -2.44 2.99 -0.15 5.22 0.08 0.07 -4.91 117.98 118.85 1wuz s PHE 91 Ca 0.12 -1.77 -0.29 0.00 0.12 0.00 0.00 56.93 55.11 1wuz s PHE 91 Cb -0.03 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 1wuz s PHE 91 CO 0.03 -0.79 1.53 -1.58 -0.10 0.00 0.00 175.22 174.31 1wuz s HIS 92 N 1.26 2.27 -0.05 0.36 2.46 -0.10 -1.77 115.29 119.71 1wuz s HIS 92 Ca 0.00 0.54 0.06 0.00 0.47 0.00 0.00 55.06 56.13 1wuz s HIS 92 Cb -0.16 -3.83 -0.01 0.00 -0.13 0.00 0.00 32.58 28.44 1wuz s HIS 92 CO -0.08 -2.92 -0.24 0.08 -2.47 0.00 0.00 174.74 169.11 1wuz s VAL 93 N 4.31 2.21 -0.20 0.89 1.01 -0.08 -1.69 120.40 126.84 1wuz s VAL 93 Ca 0.67 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1wuz s VAL 93 Cb -0.27 -1.81 0.06 0.00 0.00 0.00 0.00 36.38 34.37 1wuz s VAL 93 CO 0.25 0.57 0.05 -1.61 0.00 0.00 0.00 175.10 174.36 1wuz s GLU 94 N -0.29 0.61 -0.15 2.72 2.02 0.02 -0.11 118.70 123.52 1wuz s GLU 94 Ca 0.00 -0.45 -0.04 0.00 0.02 0.00 0.00 54.97 54.50 1wuz s GLU 94 Cb -0.13 -2.06 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 1wuz s GLU 94 CO 0.02 -0.68 -0.02 0.14 0.02 0.00 0.00 175.26 174.75 1wuz s VAL 95 N 1.86 4.06 0.16 2.63 -7.23 -0.79 -1.10 120.40 119.99 1wuz s VAL 95 Ca 0.00 -0.30 0.05 0.00 -1.81 0.00 0.00 61.98 59.92 1wuz s VAL 95 Cb -0.17 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.95 1wuz s VAL 95 CO -0.10 0.50 0.12 -1.61 -0.31 0.00 0.00 175.10 173.69 1wuz s GLU 96 N 0.28 2.84 -0.26 4.82 2.02 -1.11 -1.49 118.70 125.80 1wuz s GLU 96 Ca -0.02 -0.89 -0.14 0.00 0.02 0.00 0.00 54.97 53.94 1wuz s GLU 96 Cb -0.14 -2.62 -0.04 0.00 0.10 0.00 0.00 34.13 31.44 1wuz s GLU 96 CO 0.02 0.49 0.35 0.14 0.02 0.00 0.00 175.26 176.28 1wuz s VAL 97 N -1.73 5.20 -0.35 2.63 -7.23 -1.03 -2.56 120.40 115.33 1wuz s VAL 97 Ca 0.30 0.53 -0.18 0.00 -1.81 0.00 0.00 61.98 60.83 1wuz s VAL 97 Cb -0.10 -3.68 -0.00 0.00 0.56 0.00 0.00 36.38 33.16 1wuz s VAL 97 CO 0.23 0.18 0.52 -0.60 -0.31 0.00 0.00 175.10 175.12 1wuz s ARG 98 N 1.91 3.61 -0.08 4.82 6.06 -1.01 -4.54 118.95 129.72 1wuz s ARG 98 Ca 0.14 -0.17 -0.29 0.00 -2.50 0.00 0.00 55.73 52.92 1wuz s ARG 98 Cb -0.16 -3.81 0.09 0.00 0.06 0.00 0.00 34.95 31.13 1wuz s ARG 98 CO 0.10 -0.65 1.29 -3.47 -2.50 0.00 0.00 175.30 170.06 1wuz n ASP 99 N 5.75 -0.99 -4.46 -2.12 2.03 -1.26 -2.19 116.55 113.31 1wuz n ASP 99 Ca -0.05 -1.05 -0.23 0.00 0.52 0.00 0.00 54.79 53.98 1wuz n ASP 99 Cb 0.49 1.50 -0.10 0.00 -0.72 0.00 0.00 41.12 42.29 1wuz n ASP 99 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1wuz s ILE 100 N -2.00 2.36 -0.08 5.18 -4.36 -1.26 -4.90 121.20 116.13 1wuz s ILE 100 Ca 0.31 -2.37 0.14 0.00 -0.26 0.00 0.00 60.65 58.46 1wuz s ILE 100 Cb -0.00 -2.29 -0.06 0.00 1.25 0.00 0.00 42.46 41.36 1wuz s ILE 100 CO -0.02 -0.41 1.21 -1.13 0.24 0.00 0.00 174.94 174.82 1wuz h ASN 101 N 2.29 0.00 -0.79 4.36 -1.24 -1.90 -3.27 115.58 115.03 1wuz h ASN 101 Ca -0.40 0.00 -0.38 0.00 0.71 0.00 0.00 56.30 56.23 1wuz h ASN 101 Cb 1.25 0.00 -0.23 0.00 0.73 0.00 0.00 38.32 40.08 1wuz h ASN 101 CO 0.61 0.66 0.48 -0.67 -1.29 0.00 0.00 177.43 177.22 1wuz n ASP 102 N -3.16 3.81 0.00 1.15 -0.08 -1.26 -5.09 116.55 111.92 1wuz n ASP 102 Ca -0.03 -3.28 0.00 0.00 -1.51 0.00 0.00 54.79 49.98 1wuz n ASP 102 Cb 0.83 -0.77 0.00 0.00 2.34 0.00 0.00 41.12 43.52 1wuz n ASP 102 CO 0.00 0.00 0.00 -0.46 0.12 0.00 0.00 177.20 176.86