#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 -0.24 0.02 1.61 -0.87 -1.26 -5.04 114.94 109.15 1wuz s ASN 2 Ca 0.00 0.48 0.00 0.00 -1.57 0.00 0.00 52.86 51.77 1wuz s ASN 2 Cb 0.00 0.42 0.00 0.00 -0.02 0.00 0.00 41.25 41.65 1wuz s ASN 2 CO 0.00 -0.13 0.00 -1.20 -2.57 0.00 0.00 177.10 173.20 1wuz n SER 3 N 3.66 0.02 -4.57 -1.22 7.64 -1.26 -4.94 113.62 112.95 1wuz n SER 3 Ca -0.20 0.03 -0.43 0.00 1.01 0.00 0.00 58.87 59.28 1wuz n SER 3 Cb 0.55 0.01 -0.04 0.00 -1.01 0.00 0.00 64.21 63.73 1wuz n SER 3 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1wuz s GLN 4 N -2.00 3.55 0.01 1.43 0.74 -1.26 -1.53 119.66 120.60 1wuz s GLN 4 Ca 0.00 0.21 0.02 0.00 0.05 0.00 0.00 55.36 55.64 1wuz s GLN 4 Cb 0.00 -3.93 -0.01 0.00 1.10 0.00 0.00 33.01 30.17 1wuz s GLN 4 CO 0.00 -1.25 -0.08 0.42 -0.55 0.00 0.00 175.29 173.83 1wuz s ILE 5 N 3.85 0.60 0.03 -2.34 -1.09 -0.29 -5.03 121.20 116.94 1wuz s ILE 5 Ca 0.38 -0.47 -0.01 0.00 -2.23 0.00 0.00 60.65 58.32 1wuz s ILE 5 Cb -0.10 -0.53 -0.02 0.00 -1.58 0.00 0.00 42.46 40.23 1wuz s ILE 5 CO 0.27 0.06 -0.02 -1.38 -1.23 0.00 0.00 174.94 172.64 1wuz s HIS 6 N -0.40 0.32 0.33 3.97 -3.43 -1.26 -1.18 115.29 113.65 1wuz s HIS 6 Ca 0.01 -0.67 0.04 0.00 -0.80 0.00 0.00 55.06 53.64 1wuz s HIS 6 Cb -0.04 -0.24 -0.06 0.00 -1.43 0.00 0.00 32.58 30.81 1wuz s HIS 6 CO -0.00 -0.25 0.06 0.71 -2.00 0.00 0.00 174.74 173.26 1wuz s TYR 7 N -2.18 1.97 -0.07 0.38 2.02 -0.45 -4.92 117.35 114.11 1wuz s TYR 7 Ca -0.09 -0.96 0.05 0.00 -0.37 0.00 0.00 57.07 55.69 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 -0.04 0.01 -0.21 -1.12 -1.57 0.00 0.00 175.55 172.62 1wuz s SER 8 N -3.50 2.69 -0.26 2.29 0.01 -0.80 -2.67 113.70 111.45 1wuz s SER 8 Ca 0.36 -0.46 -0.05 0.00 1.31 0.00 0.00 55.95 57.10 1wuz s SER 8 Cb 0.09 -0.96 0.13 0.00 0.21 0.00 0.00 66.02 65.49 1wuz s SER 8 CO 0.15 0.17 0.52 -0.51 0.41 0.00 0.00 173.24 173.98 1wuz s ILE 9 N 0.15 -0.82 0.40 1.44 1.10 -1.04 -4.38 121.20 118.04 1wuz s ILE 9 Ca -0.10 0.03 -0.26 0.00 -0.51 0.00 0.00 60.65 59.82 1wuz s ILE 9 Cb -0.15 -0.87 -0.09 0.00 0.15 0.00 0.00 42.46 41.51 1wuz s ILE 9 CO 0.05 -0.00 1.19 -2.16 -2.11 0.00 0.00 174.94 171.91 1wuz s PRO 10 N 2.74 4.06 1.08 3.50 0.04 -1.26 -2.53 135.00 142.64 1wuz s PRO 10 Ca 0.06 1.90 -0.20 0.00 0.04 0.00 0.00 61.00 62.80 1wuz s PRO 10 Cb -0.13 -2.71 0.04 0.00 0.04 0.00 0.00 34.50 31.74 1wuz s PRO 10 CO -0.17 -0.33 -0.25 -0.85 0.04 0.00 0.00 177.00 175.44 1wuz n GLU 11 N 0.13 -1.20 -1.60 4.56 -0.00 -1.00 -3.24 120.64 118.29 1wuz n GLU 11 Ca 0.04 -0.33 -0.14 0.00 -0.00 0.00 0.00 57.16 56.73 1wuz n GLU 11 Cb 0.46 -1.58 -0.05 0.00 -0.00 0.00 0.00 31.44 30.27 1wuz n GLU 11 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1wuz n GLU 12 N -1.17 -0.98 -2.52 3.44 1.02 -1.26 -4.93 120.64 114.23 1wuz n GLU 12 Ca 0.01 0.91 -0.41 0.00 -0.02 0.00 0.00 57.16 57.64 1wuz n GLU 12 Cb 0.64 -5.03 -0.03 0.00 -0.02 0.00 0.00 31.44 27.00 1wuz n GLU 12 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wuz s ALA 13 N -2.55 2.76 1.04 0.62 0.00 -1.20 -4.99 121.76 117.44 1wuz s ALA 13 Ca 0.00 -1.21 -0.12 0.00 0.00 0.00 0.00 51.96 50.64 1wuz s ALA 13 Cb 0.00 -4.22 0.21 0.00 0.00 0.00 0.00 23.12 19.11 1wuz s ALA 13 CO 0.00 -3.21 1.07 -1.59 0.00 0.00 0.00 175.76 172.04 1wuz s LYS 14 N 5.68 0.08 -0.08 0.00 -2.85 -1.26 -4.59 119.74 116.72 1wuz s LYS 14 Ca 0.39 1.01 -0.31 0.00 -1.00 0.00 0.00 55.97 56.06 1wuz s LYS 14 Cb -0.08 -1.66 -0.09 0.00 -2.06 0.00 0.00 37.83 33.94 1wuz s LYS 14 CO 0.17 -3.10 2.02 0.72 0.10 0.00 0.00 175.35 175.26 1wuz n HIS 15 N -4.50 2.29 0.00 1.78 8.25 -1.26 -1.50 115.22 120.27 1wuz n HIS 15 Ca 0.06 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 1wuz n HIS 15 Cb 0.54 -2.73 0.00 0.00 1.12 0.00 0.00 29.99 28.92 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 4.90 1.08 3.78 -1.41 0.00 -0.88 -4.95 105.19 107.70 1wuz n GLY 16 Ca 0.24 0.00 -0.38 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 4.03 0.42 2.61 2.01 -0.56 -4.67 115.64 117.49 1wuz s THR 17 Ca 0.00 1.73 -0.26 0.00 0.31 0.00 0.00 61.69 63.47 1wuz s THR 17 Cb 0.00 -3.98 -0.09 0.00 0.01 0.00 0.00 72.50 68.44 1wuz s THR 17 CO 0.00 0.18 1.44 0.12 -0.69 0.00 0.00 174.62 175.67 1wuz s PHE 18 N -1.53 2.51 0.00 4.92 5.36 -1.26 -1.32 117.98 126.65 1wuz s PHE 18 Ca 0.50 1.23 0.00 0.00 -0.96 0.00 0.00 56.93 57.70 1wuz s PHE 18 Cb -0.21 -3.95 0.00 0.00 -0.34 0.00 0.00 43.02 38.52 1wuz s PHE 18 CO 0.27 -2.94 0.00 0.28 -1.46 0.00 0.00 175.22 171.37 1wuz n VAL 19 N 0.03 0.00 0.00 3.12 0.31 -0.37 -4.74 118.33 116.68 1wuz n VAL 19 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1wuz n VAL 19 Cb 0.41 -0.98 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 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 2.23 3.29 3.51 2.92 0.00 -1.22 -1.91 105.19 114.02 1wuz n GLY 20 Ca 0.00 -0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.17 0.57 -0.03 1.61 1.85 -1.26 -3.29 116.66 115.94 1wuz n ARG 21 Ca 0.00 0.03 -0.17 0.00 -1.00 0.00 0.00 57.85 56.72 1wuz n ARG 21 Cb 0.00 -2.45 -0.07 0.00 -1.05 0.00 0.00 32.46 28.89 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 7.75 1.30 0.09 8.89 2.10 -1.88 -2.47 117.51 133.29 1wuz h ILE 22 Ca -0.16 -1.90 -0.00 0.00 1.08 0.00 0.00 64.86 63.88 1wuz h ILE 22 Cb 1.30 2.00 0.00 0.00 -1.09 0.00 0.00 36.82 39.03 1wuz h ILE 22 CO 1.24 0.60 -0.04 0.00 -1.08 0.00 0.00 178.15 178.87 1wuz h ALA 23 N 0.54 -0.12 -0.20 0.18 0.00 -1.87 -2.72 119.26 115.08 1wuz h ALA 23 Ca -0.04 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.68 1wuz h ALA 23 Cb 1.31 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1wuz h ALA 23 CO 0.14 -0.30 -0.14 0.37 0.00 0.00 0.00 179.25 179.33 1wuz h GLN 24 N -0.65 -0.12 0.00 0.00 -0.00 -1.86 0.32 115.11 112.78 1wuz h GLN 24 Ca -0.01 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1wuz h GLN 24 Cb 0.53 0.03 0.00 0.00 0.00 0.00 0.00 27.48 28.03 1wuz h GLN 24 CO 0.02 -0.08 0.00 -0.44 0.00 0.00 0.00 178.83 178.33 1wuz h ASP 25 N -0.13 0.00 0.25 -0.69 3.32 -1.52 -1.94 116.42 115.71 1wuz h ASP 25 Ca 0.12 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.83 1wuz h ASP 25 Cb 0.31 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.83 1wuz h ASP 25 CO -0.28 0.00 -1.88 -0.07 -1.72 0.00 0.00 179.24 175.29 1wuz h LEU 26 N 0.00 0.30 -0.41 1.55 4.07 -0.40 -3.48 115.31 116.94 1wuz h LEU 26 Ca 0.00 -0.65 0.00 0.00 0.08 0.00 0.00 57.88 57.31 1wuz h LEU 26 Cb 0.08 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.72 1wuz h LEU 26 CO 0.00 1.58 0.00 0.61 -1.08 0.00 0.00 178.44 179.55 1wuz n GLY 27 N 1.84 1.01 2.93 0.83 0.00 0.83 -4.65 105.19 107.98 1wuz n GLY 27 Ca -0.26 -0.31 -0.26 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.20 0.00 -4.54 0.99 4.77 -1.19 -5.07 117.00 111.76 1wuz n LEU 28 Ca 0.00 -2.56 -0.34 0.00 -0.03 0.00 0.00 56.01 53.08 1wuz n LEU 28 Cb 0.22 0.28 -0.12 0.00 -2.33 0.00 0.00 43.42 41.48 1wuz n LEU 28 CO 0.00 -0.37 -0.35 -1.61 -1.33 0.00 0.00 177.39 173.73 1wuz s GLU 29 N -3.48 3.42 0.59 3.23 8.01 -1.26 -4.77 118.70 124.43 1wuz s GLU 29 Ca 0.00 -0.51 0.29 0.00 0.01 0.00 0.00 54.97 54.77 1wuz s GLU 29 Cb -0.00 -2.84 1.78 0.00 -4.31 0.00 0.00 34.13 28.75 1wuz s GLU 29 CO 0.00 0.38 2.23 -0.07 0.01 0.00 0.00 175.26 177.81 1wuz h LEU 30 N 6.22 0.00 -1.77 1.80 -0.00 -1.92 0.18 115.31 119.82 1wuz h LEU 30 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 1wuz h LEU 30 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.85 1wuz h LEU 30 CO 0.60 0.00 0.00 0.41 -0.00 0.00 0.00 178.44 179.45 1wuz n THR 31 N -3.87 0.30 0.48 0.22 -1.04 -1.26 -3.90 114.28 105.21 1wuz n THR 31 Ca -0.02 -0.54 0.06 0.00 -2.04 0.00 0.00 64.05 61.50 1wuz n THR 31 Cb 0.12 0.83 0.02 0.00 -1.82 0.00 0.00 70.33 69.49 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 1.00 1.28 -0.15 -2.82 4.71 0.59 -4.56 120.64 120.70 1wuz n GLU 32 Ca 0.17 -0.92 -0.10 0.00 -0.01 0.00 0.00 57.16 56.30 1wuz n GLU 32 Cb 0.50 -1.17 -0.01 0.00 -1.01 0.00 0.00 31.44 29.75 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 1.76 0.75 0.25 -4.62 3.38 -1.60 -1.12 115.31 114.12 1wuz h LEU 33 Ca 0.00 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.66 1wuz h LEU 33 Cb 0.43 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1wuz h LEU 33 CO 0.00 0.89 -0.36 0.58 0.09 0.00 0.00 178.44 179.63 1wuz h VAL 34 N 0.59 0.25 0.00 1.22 2.07 -1.84 -0.29 116.25 118.26 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 0.51 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1wuz h VAL 34 CO 0.03 0.00 0.00 -0.81 0.02 0.00 0.00 177.57 176.81 1wuz n PRO 35 N -5.46 0.20 -0.11 1.57 -0.04 -1.22 -1.97 135.00 127.98 1wuz n PRO 35 Ca -0.08 0.43 0.12 0.00 -0.04 0.00 0.00 63.50 63.93 1wuz n PRO 35 Cb 0.36 -1.89 0.23 0.00 -0.04 0.00 0.00 33.50 32.17 1wuz n PRO 35 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1wuz n ARG 36 N -2.26 2.27 -3.78 0.54 1.74 -0.42 -4.90 116.66 109.84 1wuz n ARG 36 Ca 0.02 -1.89 -0.31 0.00 -0.77 0.00 0.00 57.85 54.89 1wuz n ARG 36 Cb 0.23 -1.48 0.03 0.00 -1.02 0.00 0.00 32.46 30.22 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 1.16 -2.47 -4.77 0.55 7.99 -0.21 -2.25 117.00 117.00 1wuz n LEU 37 Ca 0.17 -1.04 -0.38 0.00 -0.01 0.00 0.00 56.01 54.76 1wuz n LEU 37 Cb 0.54 -2.29 -0.04 0.00 -0.11 0.00 0.00 43.42 41.53 1wuz n LEU 37 CO 0.15 0.49 0.77 0.12 -1.51 0.00 0.00 177.39 177.41 1wuz s PHE 38 N -3.60 3.33 -0.04 -1.77 5.36 -0.79 -2.47 117.98 118.01 1wuz s PHE 38 Ca 0.35 1.65 -0.29 0.00 -0.96 0.00 0.00 56.93 57.68 1wuz s PHE 38 Cb -0.13 -3.21 0.06 0.00 -0.34 0.00 0.00 43.02 39.40 1wuz s PHE 38 CO 0.88 -0.70 0.63 0.50 -1.46 0.00 0.00 175.22 175.07 1wuz s ARG 39 N -2.16 1.03 0.01 10.12 3.52 0.86 -4.98 118.95 127.35 1wuz s ARG 39 Ca 0.54 0.17 0.06 0.00 -0.13 0.00 0.00 55.73 56.37 1wuz s ARG 39 Cb -0.26 0.48 -0.02 0.00 -1.56 0.00 0.00 34.95 33.59 1wuz s ARG 39 CO 0.33 -0.32 -0.18 0.08 -0.81 0.00 0.00 175.30 174.39 1wuz s VAL 40 N -1.33 1.45 0.04 7.11 1.01 -1.26 -0.19 120.40 127.23 1wuz s VAL 40 Ca -0.11 -0.91 -0.07 0.00 0.00 0.00 0.00 61.98 60.90 1wuz s VAL 40 Cb -0.01 -1.23 0.02 0.00 0.00 0.00 0.00 36.38 35.17 1wuz s VAL 40 CO 0.08 0.30 0.31 0.00 0.00 0.00 0.00 175.10 175.80 1wuz n ALA 41 N 2.34 -0.83 -3.39 5.51 0.00 -0.91 -4.89 120.51 118.33 1wuz n ALA 41 Ca -0.16 -0.29 -0.13 0.00 0.00 0.00 0.00 53.44 52.86 1wuz n ALA 41 Cb 0.54 0.15 -0.03 0.00 0.00 0.00 0.00 19.45 20.10 1wuz n ALA 41 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1wuz s SER 42 N -1.73 -0.55 0.25 0.00 0.15 -1.26 -1.93 113.70 108.64 1wuz s SER 42 Ca 0.07 0.12 0.17 0.00 0.70 0.00 0.00 55.95 57.01 1wuz s SER 42 Cb -0.01 0.57 0.05 0.00 -1.71 0.00 0.00 66.02 64.92 1wuz s SER 42 CO 0.01 -0.87 1.32 0.11 1.20 0.00 0.00 173.24 175.01 1wuz h LYS 43 N 2.28 0.00 0.00 5.44 1.57 -1.95 -3.05 116.57 120.86 1wuz h LYS 43 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1wuz h LYS 43 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1wuz h LYS 43 CO 0.39 0.38 0.00 -0.25 -0.57 0.00 0.00 179.45 179.40 1wuz n ASP 44 N -3.12 0.00 0.00 0.86 8.00 -1.26 -4.73 116.55 116.30 1wuz n ASP 44 Ca -0.00 0.45 0.00 0.00 0.71 0.00 0.00 54.79 55.95 1wuz n ASP 44 Cb 0.72 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 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 -0.82 1.39 -0.92 -1.24 0.63 -1.26 -5.00 116.66 109.44 1wuz n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1wuz n ARG 45 Cb 0.00 -0.89 0.00 0.00 0.45 0.00 0.00 32.46 32.02 1wuz n ARG 45 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1wuz n GLY 46 N 2.14 0.49 2.26 5.14 0.00 -1.15 -4.89 105.19 109.18 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 -0.17 1.05 -0.09 1.61 9.92 -1.26 -4.39 116.55 123.22 1wuz n ASP 47 Ca 0.00 -2.92 -0.15 0.00 -0.53 0.00 0.00 54.79 51.19 1wuz n ASP 47 Cb 0.09 -0.64 -0.07 0.00 -0.64 0.00 0.00 41.12 39.86 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 2.18 0.00 0.64 4.77 -1.26 -4.43 117.00 119.92 1wuz n LEU 48 Ca 0.24 0.05 -0.12 0.00 -0.03 0.00 0.00 56.01 56.15 1wuz n LEU 48 Cb 0.53 -0.56 -0.01 0.00 -2.33 0.00 0.00 43.42 41.06 1wuz n LEU 48 CO 0.23 0.59 0.28 0.18 -1.33 0.00 0.00 177.39 177.34 1wuz n LEU 49 N -3.37 0.00 -3.61 2.23 4.32 -1.26 -2.30 117.00 113.02 1wuz n LEU 49 Ca -0.32 -2.57 -0.16 0.00 -0.02 0.00 0.00 56.01 52.95 1wuz n LEU 49 Cb 0.78 2.81 -0.07 0.00 -1.62 0.00 0.00 43.42 45.33 1wuz n LEU 49 CO 0.10 -0.68 0.27 -1.61 -1.22 0.00 0.00 177.39 174.25 1wuz s GLU 50 N -2.50 0.93 -0.04 3.23 2.02 -1.05 -4.73 118.70 116.56 1wuz s GLU 50 Ca 0.23 0.00 -0.03 0.00 0.02 0.00 0.00 54.97 55.19 1wuz s GLU 50 Cb -0.02 0.43 -0.04 0.00 0.10 0.00 0.00 34.13 34.60 1wuz s GLU 50 CO 0.16 -0.29 0.11 0.54 0.02 0.00 0.00 175.26 175.80 1wuz s VAL 51 N -1.53 5.02 -0.26 2.63 0.11 -1.26 -2.23 120.40 122.88 1wuz s VAL 51 Ca -0.10 -0.20 -0.10 0.00 -2.93 0.00 0.00 61.98 58.65 1wuz s VAL 51 Cb -0.02 -3.27 -0.05 0.00 -1.53 0.00 0.00 36.38 31.52 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 -1.54 5.95 0.00 3.54 3.04 -1.04 -4.95 114.94 119.95 1wuz s ASN 52 Ca 0.21 0.02 0.17 0.00 0.04 0.00 0.00 52.86 53.30 1wuz s ASN 52 Cb -0.12 -2.09 0.73 0.00 -1.54 0.00 0.00 41.25 38.23 1wuz s ASN 52 CO 0.12 0.01 1.52 0.18 -3.04 0.00 0.00 177.10 175.89 1wuz n LEU 53 N 4.65 0.00 0.36 3.21 4.77 -1.26 -0.11 117.00 128.62 1wuz n LEU 53 Ca -0.15 0.46 -0.14 0.00 -0.03 0.00 0.00 56.01 56.16 1wuz n LEU 53 Cb 0.52 -0.46 -0.07 0.00 -2.33 0.00 0.00 43.42 41.08 1wuz n LEU 53 CO 0.34 -0.20 0.47 -0.61 -1.33 0.00 0.00 177.39 176.05 1wuz h GLN 54 N 0.00 -0.88 0.00 3.23 5.75 -1.92 -3.40 115.11 117.88 1wuz h GLN 54 Ca 0.00 0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.55 1wuz h GLN 54 Cb 0.26 0.20 -0.00 0.00 1.07 0.00 0.00 27.48 29.01 1wuz h GLN 54 CO 0.00 -0.59 -1.08 0.09 -2.65 0.00 0.00 178.83 174.60 1wuz n ASN 55 N -4.72 4.62 0.00 -0.69 3.02 -1.23 -5.02 115.26 111.23 1wuz n ASN 55 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1wuz n ASN 55 Cb 0.36 0.96 0.00 0.00 -0.61 0.00 0.00 39.78 40.49 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 2.51 2.29 3.61 7.41 0.00 0.85 -4.91 105.19 116.96 1wuz n GLY 56 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.24 2.73 -3.48 -0.61 0.13 -1.26 -3.71 119.36 111.93 1wuz n ILE 57 Ca 0.00 -0.50 -0.40 0.00 -1.10 0.00 0.00 62.75 60.75 1wuz n ILE 57 Cb 0.00 -1.18 -0.10 0.00 -0.84 0.00 0.00 39.64 37.52 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 -0.94 4.25 0.25 9.51 1.98 -1.21 -2.49 118.68 130.03 1wuz s LEU 58 Ca 0.66 -0.09 0.07 0.00 -2.89 0.00 0.00 54.13 51.88 1wuz s LEU 58 Cb -0.51 -2.26 -0.04 0.00 0.66 0.00 0.00 46.19 44.04 1wuz s LEU 58 CO 0.55 -0.20 0.18 0.72 -1.89 0.00 0.00 176.35 175.71 1wuz s PHE 59 N 1.90 3.10 0.41 5.38 -0.71 -0.95 -1.23 117.98 125.89 1wuz s PHE 59 Ca 0.10 -0.11 -0.24 0.00 -1.04 0.00 0.00 56.93 55.64 1wuz s PHE 59 Cb -0.16 -1.40 -0.08 0.00 -1.21 0.00 0.00 43.02 40.16 1wuz s PHE 59 CO 0.11 0.53 1.10 0.08 -1.34 0.00 0.00 175.22 175.70 1wuz s VAL 60 N -2.12 3.46 -0.29 -2.49 1.01 -0.44 -2.54 120.40 117.00 1wuz s VAL 60 Ca 0.33 1.13 0.20 0.00 0.00 0.00 0.00 61.98 63.63 1wuz s VAL 60 Cb -0.08 -3.59 0.48 0.00 0.00 0.00 0.00 36.38 33.19 1wuz s VAL 60 CO 0.25 0.02 1.15 -3.20 0.00 0.00 0.00 175.10 173.32 1wuz n ASN 61 N -0.15 0.91 -3.66 3.32 2.85 -0.97 -2.08 115.26 115.48 1wuz n ASN 61 Ca 0.05 -2.22 0.01 0.00 -0.11 0.00 0.00 54.58 52.31 1wuz n ASN 61 Cb 0.49 -0.24 0.01 0.00 1.24 0.00 0.00 39.78 41.28 1wuz n ASN 61 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1wuz s SER 62 N -3.13 -0.00 -0.12 1.20 1.04 -1.09 -4.08 113.70 107.52 1wuz s SER 62 Ca 0.24 -0.35 -0.28 0.00 0.48 0.00 0.00 55.95 56.04 1wuz s SER 62 Cb 0.37 0.26 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 1wuz s SER 62 CO -0.04 -0.52 0.94 -0.13 0.98 0.00 0.00 173.24 174.47 1wuz s ARG 63 N -2.12 4.39 -0.01 4.02 1.81 -1.26 -4.78 118.95 120.99 1wuz s ARG 63 Ca 0.25 1.26 0.13 0.00 -1.72 0.00 0.00 55.73 55.66 1wuz s ARG 63 Cb -0.01 -3.55 -0.19 0.00 -0.45 0.00 0.00 34.95 30.75 1wuz s ARG 63 CO 0.01 -0.30 0.34 -0.89 -0.68 0.00 0.00 175.30 173.78 1wuz n ILE 64 N 4.57 0.00 -1.58 1.52 2.08 -1.26 -4.07 119.36 120.62 1wuz n ILE 64 Ca 0.07 -0.28 -0.46 0.00 0.56 0.00 0.00 62.75 62.64 1wuz n ILE 64 Cb 0.49 0.36 -0.03 0.00 -0.75 0.00 0.00 39.64 39.71 1wuz n ILE 64 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1wuz n ASP 65 N -1.83 1.23 0.20 4.38 2.03 -1.26 -4.35 116.55 116.95 1wuz n ASP 65 Ca -0.01 1.16 0.18 0.00 0.52 0.00 0.00 54.79 56.64 1wuz n ASP 65 Cb 0.32 -1.25 0.77 0.00 -0.72 0.00 0.00 41.12 40.24 1wuz n ASP 65 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 1wuz h ARG 66 N 2.55 0.00 0.60 -0.67 0.11 -1.95 0.71 114.38 115.73 1wuz h ARG 66 Ca -0.40 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.65 1wuz h ARG 66 Cb 1.34 0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.43 1wuz h ARG 66 CO 0.65 0.00 -0.29 0.93 0.10 0.00 0.00 179.97 181.36 1wuz h GLU 67 N 0.00 -0.77 0.02 0.08 5.08 -1.86 0.37 114.58 117.49 1wuz h GLU 67 Ca 0.11 0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1wuz h GLU 67 Cb 0.92 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 1wuz h GLU 67 CO -0.00 -0.47 -0.36 0.93 -1.00 0.00 0.00 179.01 178.10 1wuz h GLU 68 N -1.13 0.04 0.00 2.33 4.39 -1.69 -3.40 114.58 115.11 1wuz h GLU 68 Ca -0.08 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.56 1wuz h GLU 68 Cb 0.65 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 1wuz h GLU 68 CO 0.13 1.03 0.00 -0.11 -1.16 0.00 0.00 179.01 178.90 1wuz n LEU 69 N -4.51 0.00 0.11 1.33 7.94 0.24 -4.90 117.00 117.22 1wuz n LEU 69 Ca -0.15 0.88 0.00 0.00 -1.11 0.00 0.00 56.01 55.63 1wuz n LEU 69 Cb 0.56 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 44.13 1wuz n LEU 69 CO 0.33 -0.38 0.00 0.00 -1.11 0.00 0.00 177.39 176.22 1wuz n GLY 71 N -1.42 0.76 0.00 0.00 0.00 0.13 -4.77 105.19 99.88 1wuz n GLY 71 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.87 0.00 -4.01 1.61 5.12 -1.26 -4.94 116.66 112.30 1wuz n ARG 72 Ca -0.07 0.25 -0.21 0.00 -1.93 0.00 0.00 57.85 55.88 1wuz n ARG 72 Cb 0.47 -0.86 -0.03 0.00 -1.16 0.00 0.00 32.46 30.88 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 -1.99 5.85 0.66 0.55 0.15 -1.26 -4.99 113.70 112.68 1wuz s SER 73 Ca 0.00 -0.13 0.42 0.00 0.70 0.00 0.00 55.95 56.94 1wuz s SER 73 Cb 0.00 -1.56 2.32 0.00 -1.71 0.00 0.00 66.02 65.07 1wuz s SER 73 CO 0.00 -0.09 2.33 0.00 1.20 0.00 0.00 173.24 176.68 1wuz h ALA 74 N 1.32 1.08 -3.39 5.45 0.00 -1.91 -3.38 119.26 118.43 1wuz h ALA 74 Ca -0.50 -0.00 -0.59 0.00 0.00 0.00 0.00 54.91 53.82 1wuz h ALA 74 Cb 1.24 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 18.65 1wuz h ALA 74 CO 0.60 -0.03 -0.80 -1.21 0.00 0.00 0.00 179.25 177.81 1wuz s GLU 75 N -4.19 1.76 -0.15 0.00 2.02 -1.26 -4.26 118.70 112.62 1wuz s GLU 75 Ca -0.05 -0.71 -0.02 0.00 0.02 0.00 0.00 54.97 54.21 1wuz s GLU 75 Cb 0.13 -2.26 -0.02 0.00 0.10 0.00 0.00 34.13 32.08 1wuz s GLU 75 CO 0.41 -0.44 -0.09 0.00 0.02 0.00 0.00 175.26 175.17 1wuz s SER 77 N 0.44 6.17 -0.02 0.00 0.01 -1.26 -2.48 113.70 116.55 1wuz s SER 77 Ca -0.07 0.32 0.05 0.00 1.31 0.00 0.00 55.95 57.56 1wuz s SER 77 Cb -0.15 -1.91 -0.01 0.00 0.21 0.00 0.00 66.02 64.16 1wuz s SER 77 CO 0.04 0.31 -0.17 -0.63 0.41 0.00 0.00 173.24 173.20 1wuz s ILE 78 N -1.20 1.33 -0.02 1.44 1.09 -0.70 -5.03 121.20 118.11 1wuz s ILE 78 Ca 0.23 -0.71 0.05 0.00 -1.10 0.00 0.00 60.65 59.11 1wuz s ILE 78 Cb -0.12 -1.12 -0.03 0.00 -1.06 0.00 0.00 42.46 40.13 1wuz s ILE 78 CO 0.13 0.38 -0.15 -1.00 -0.10 0.00 0.00 174.94 174.20 1wuz s HIS 79 N -0.31 2.67 0.05 3.97 3.76 -1.26 -1.93 115.29 122.24 1wuz s HIS 79 Ca 0.05 -0.18 -0.04 0.00 -0.15 0.00 0.00 55.06 54.74 1wuz s HIS 79 Cb -0.07 -1.58 -0.02 0.00 1.11 0.00 0.00 32.58 32.01 1wuz s HIS 79 CO -0.00 0.21 0.06 -1.17 -0.85 0.00 0.00 174.74 172.99 1wuz s LEU 80 N -0.96 2.01 -0.09 0.89 0.20 0.99 -4.89 118.68 116.83 1wuz s LEU 80 Ca 0.13 -0.69 -0.00 0.00 0.69 0.00 0.00 54.13 54.26 1wuz s LEU 80 Cb -0.11 0.48 0.02 0.00 -0.43 0.00 0.00 46.19 46.16 1wuz s LEU 80 CO 0.02 -0.54 -0.06 -1.61 -0.29 0.00 0.00 176.35 173.87 1wuz s GLU 81 N -3.06 1.27 -0.46 1.98 2.02 -0.81 -2.31 118.70 117.32 1wuz s GLU 81 Ca -0.01 -0.17 -0.20 0.00 0.02 0.00 0.00 54.97 54.61 1wuz s GLU 81 Cb 0.02 -1.35 0.04 0.00 0.10 0.00 0.00 34.13 32.93 1wuz s GLU 81 CO -0.07 -0.23 0.61 0.08 0.02 0.00 0.00 175.26 175.68 1wuz s VAL 82 N 1.58 4.88 -0.29 2.63 1.01 -1.08 -2.15 120.40 126.98 1wuz s VAL 82 Ca 0.01 -0.19 -0.29 0.00 0.00 0.00 0.00 61.98 61.52 1wuz s VAL 82 Cb -0.13 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.04 1wuz s VAL 82 CO -0.05 -0.66 1.13 -0.63 0.00 0.00 0.00 175.10 174.88 1wuz s ILE 83 N 2.67 4.44 0.03 2.22 1.09 0.74 -2.12 121.20 130.27 1wuz s ILE 83 Ca 0.18 1.68 0.05 0.00 -1.10 0.00 0.00 60.65 61.46 1wuz s ILE 83 Cb -0.16 -4.32 -0.02 0.00 -1.06 0.00 0.00 42.46 36.90 1wuz s ILE 83 CO 0.15 -0.41 -0.16 0.68 -0.10 0.00 0.00 174.94 175.11 1wuz s VAL 84 N 3.71 1.25 -0.31 2.92 -7.23 -0.72 -0.10 120.40 119.92 1wuz s VAL 84 Ca 0.48 -0.98 0.08 0.00 -1.81 0.00 0.00 61.98 59.75 1wuz s VAL 84 Cb -0.14 -1.11 0.51 0.00 0.56 0.00 0.00 36.38 36.20 1wuz s VAL 84 CO 0.15 0.11 1.49 -0.67 -0.31 0.00 0.00 175.10 175.87 1wuz n ASP 85 N 2.03 2.72 0.00 4.85 2.03 -0.96 -1.53 116.55 125.70 1wuz n ASP 85 Ca -0.17 -3.79 0.00 0.00 0.52 0.00 0.00 54.79 51.35 1wuz n ASP 85 Cb 0.54 -0.64 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 -1.11 0.00 -2.00 -0.67 1.74 -1.09 -4.29 116.66 109.25 1wuz n ARG 86 Ca 0.36 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 57.10 1wuz n ARG 86 Cb 1.05 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.52 1wuz n ARG 86 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1wuz s PRO 87 N 0.00 3.07 -0.68 5.56 0.04 -1.26 -4.72 135.00 137.00 1wuz s PRO 87 Ca 0.00 1.49 -0.27 0.00 0.04 0.00 0.00 61.00 62.27 1wuz s PRO 87 Cb 0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1wuz s PRO 87 CO 0.00 -1.05 1.60 -0.51 0.04 0.00 0.00 177.00 177.07 1wuz s LEU 88 N -4.36 3.23 0.00 -3.56 1.02 -1.26 -4.61 118.68 109.15 1wuz s LEU 88 Ca 0.70 -0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.78 1wuz s LEU 88 Cb -0.22 -2.54 0.00 0.00 0.02 0.00 0.00 46.19 43.45 1wuz s LEU 88 CO 0.35 -2.13 0.00 1.67 0.02 0.00 0.00 176.35 176.25 1wuz n GLN 89 N 9.26 -0.87 -4.41 1.70 0.00 -0.58 -4.99 117.38 117.50 1wuz n GLN 89 Ca 0.13 0.00 -0.27 0.00 -0.00 0.00 0.00 57.00 56.86 1wuz n GLN 89 Cb 0.51 0.00 -0.13 0.00 0.00 0.00 0.00 30.24 30.62 1wuz n GLN 89 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1wuz s VAL 90 N -3.00 2.05 -0.16 1.69 1.01 -1.26 -1.75 120.40 118.97 1wuz s VAL 90 Ca 0.00 -1.64 -0.05 0.00 0.00 0.00 0.00 61.98 60.30 1wuz s VAL 90 Cb 0.00 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.53 1wuz s VAL 90 CO 0.00 0.07 -0.01 -0.36 0.00 0.00 0.00 175.10 174.80 1wuz s PHE 91 N -1.06 3.09 -0.22 5.22 0.08 -0.90 -4.90 117.98 119.29 1wuz s PHE 91 Ca 0.11 -0.20 -0.29 0.00 0.12 0.00 0.00 56.93 56.67 1wuz s PHE 91 Cb -0.10 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.34 1wuz s PHE 91 CO 0.05 0.01 1.47 -1.58 -0.10 0.00 0.00 175.22 175.07 1wuz s HIS 92 N 0.39 2.38 -0.10 0.36 2.46 -0.58 -2.65 115.29 117.55 1wuz s HIS 92 Ca -0.02 0.68 0.02 0.00 0.47 0.00 0.00 55.06 56.21 1wuz s HIS 92 Cb -0.14 -3.89 0.01 0.00 -0.13 0.00 0.00 32.58 28.44 1wuz s HIS 92 CO 0.02 -2.47 -0.14 0.08 -2.47 0.00 0.00 174.74 169.76 1wuz s VAL 93 N 4.61 1.40 -0.13 0.89 1.01 -0.98 -1.14 120.40 126.07 1wuz s VAL 93 Ca 0.65 -0.60 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 1wuz s VAL 93 Cb -0.23 -1.28 0.04 0.00 0.00 0.00 0.00 36.38 34.91 1wuz s VAL 93 CO 0.25 0.42 0.01 -1.61 0.00 0.00 0.00 175.10 174.18 1wuz s GLU 94 N 0.92 0.67 -0.14 2.72 2.02 -0.32 -0.01 118.70 124.56 1wuz s GLU 94 Ca -0.08 -0.16 -0.02 0.00 0.02 0.00 0.00 54.97 54.72 1wuz s GLU 94 Cb -0.15 -1.54 -0.02 0.00 0.10 0.00 0.00 34.13 32.51 1wuz s GLU 94 CO -0.00 -0.46 -0.06 0.14 0.02 0.00 0.00 175.26 174.89 1wuz s VAL 95 N 1.91 3.69 0.09 2.63 -7.23 -0.81 -1.34 120.40 119.33 1wuz s VAL 95 Ca 0.02 -0.44 0.02 0.00 -1.81 0.00 0.00 61.98 59.77 1wuz s VAL 95 Cb -0.15 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.16 1wuz s VAL 95 CO -0.07 0.51 0.16 -0.70 -0.31 0.00 0.00 175.10 174.70 1wuz s GLU 96 N 0.24 3.18 -0.28 4.82 2.12 -1.09 -1.72 118.70 125.98 1wuz s GLU 96 Ca -0.04 -0.59 -0.12 0.00 0.36 0.00 0.00 54.97 54.58 1wuz s GLU 96 Cb -0.14 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.32 1wuz s GLU 96 CO 0.03 0.57 0.26 0.14 -0.54 0.00 0.00 175.26 175.72 1wuz s VAL 97 N -1.51 5.26 -0.42 3.70 -7.23 -1.04 -2.50 120.40 116.66 1wuz s VAL 97 Ca 0.32 0.29 -0.26 0.00 -1.81 0.00 0.00 61.98 60.53 1wuz s VAL 97 Cb -0.12 -3.60 0.02 0.00 0.56 0.00 0.00 36.38 33.24 1wuz s VAL 97 CO 0.25 0.21 0.92 -0.13 -0.31 0.00 0.00 175.10 176.04 1wuz s ARG 98 N 1.87 3.67 -0.06 4.82 0.52 -1.05 -4.44 118.95 124.27 1wuz s ARG 98 Ca 0.10 0.33 -0.18 0.00 -0.52 0.00 0.00 55.73 55.46 1wuz s ARG 98 Cb -0.16 -3.87 0.06 0.00 0.52 0.00 0.00 34.95 31.50 1wuz s ARG 98 CO 0.11 -1.10 0.80 -0.40 0.02 0.00 0.00 175.30 174.72 1wuz n ASP 99 N 6.99 -0.58 -4.34 0.23 5.75 -1.26 -2.38 116.55 120.96 1wuz n ASP 99 Ca 0.06 -1.00 -0.21 0.00 -0.01 0.00 0.00 54.79 53.63 1wuz n ASP 99 Cb 0.48 0.87 -0.11 0.00 -1.03 0.00 0.00 41.12 41.33 1wuz n ASP 99 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 1wuz s ILE 100 N -2.00 1.85 -0.05 2.12 -1.09 -1.26 -4.73 121.20 116.04 1wuz s ILE 100 Ca 0.19 -2.00 -0.25 0.00 -2.23 0.00 0.00 60.65 56.37 1wuz s ILE 100 Cb -0.00 -1.91 -0.19 0.00 -1.58 0.00 0.00 42.46 38.78 1wuz s ILE 100 CO -0.02 -0.37 1.06 -1.13 -1.23 0.00 0.00 174.94 173.26 1wuz h ASN 101 N 3.07 -0.08 -0.64 3.58 -1.24 -1.86 -3.30 115.58 115.10 1wuz h ASN 101 Ca -0.41 -0.49 -0.30 0.00 0.71 0.00 0.00 56.30 55.81 1wuz h ASN 101 Cb 1.21 0.02 -0.18 0.00 0.73 0.00 0.00 38.32 40.11 1wuz h ASN 101 CO 0.53 0.49 0.25 -0.67 -1.29 0.00 0.00 177.43 176.74 1wuz n ASP 102 N -4.86 3.38 0.00 1.15 -0.08 -1.26 -4.96 116.55 109.92 1wuz n ASP 102 Ca -0.08 -3.58 0.00 0.00 -1.51 0.00 0.00 54.79 49.61 1wuz n ASP 102 Cb 0.29 -0.72 0.00 0.00 2.34 0.00 0.00 41.12 43.02 1wuz n ASP 102 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91