#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 4.80 -0.03 1.61 -0.87 -1.26 -4.82 114.94 114.37 1wuz s ASN 2 Ca 0.00 -3.03 0.01 0.00 -1.57 0.00 0.00 52.86 48.28 1wuz s ASN 2 Cb 0.00 -1.74 -0.03 0.00 -0.02 0.00 0.00 41.25 39.46 1wuz s ASN 2 CO 0.00 -0.28 -0.01 -1.54 -2.57 0.00 0.00 177.10 172.70 1wuz n SER 3 N 3.17 4.06 -4.47 -1.22 3.41 -1.26 -4.78 113.62 112.52 1wuz n SER 3 Ca 0.08 -0.01 -0.43 0.00 -0.26 0.00 0.00 58.87 58.25 1wuz n SER 3 Cb 0.35 0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 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 -2.07 3.45 0.00 4.33 -0.21 -1.26 -1.33 119.66 122.57 1wuz s GLN 4 Ca -0.03 -1.36 0.03 0.00 0.02 0.00 0.00 55.36 54.03 1wuz s GLN 4 Cb 0.01 -4.77 -0.01 0.00 1.00 0.00 0.00 33.01 29.24 1wuz s GLN 4 CO 0.09 -1.86 -0.11 0.42 -2.12 0.00 0.00 175.29 171.71 1wuz s ILE 5 N 3.52 0.84 0.03 1.08 -1.09 -0.81 -5.06 121.20 119.71 1wuz s ILE 5 Ca 0.32 -0.54 0.00 0.00 -2.23 0.00 0.00 60.65 58.20 1wuz s ILE 5 Cb -0.07 -0.72 -0.02 0.00 -1.58 0.00 0.00 42.46 40.06 1wuz s ILE 5 CO -0.03 0.17 -0.04 -1.38 -1.23 0.00 0.00 174.94 172.43 1wuz s HIS 6 N -0.37 0.35 0.41 3.97 -3.43 -1.26 -1.07 115.29 113.89 1wuz s HIS 6 Ca 0.03 -0.57 0.04 0.00 -0.80 0.00 0.00 55.06 53.77 1wuz s HIS 6 Cb -0.05 -0.24 -0.05 0.00 -1.43 0.00 0.00 32.58 30.81 1wuz s HIS 6 CO -0.00 -0.18 0.04 0.71 -2.00 0.00 0.00 174.74 173.30 1wuz s TYR 7 N -1.64 2.13 -0.09 0.38 2.02 0.46 -4.89 117.35 115.71 1wuz s TYR 7 Ca -0.13 -0.89 0.01 0.00 -0.37 0.00 0.00 57.07 55.68 1wuz s TYR 7 Cb -0.09 -1.53 0.02 0.00 -0.40 0.00 0.00 41.96 39.96 1wuz s TYR 7 CO -0.01 0.19 -0.10 -1.54 -1.57 0.00 0.00 175.55 172.52 1wuz s SER 8 N -3.68 2.02 -0.08 2.29 1.04 -0.91 -2.70 113.70 111.68 1wuz s SER 8 Ca 0.27 -0.31 -0.03 0.00 0.48 0.00 0.00 55.95 56.36 1wuz s SER 8 Cb 0.07 -0.84 0.04 0.00 0.10 0.00 0.00 66.02 65.39 1wuz s SER 8 CO 0.13 -0.06 0.17 -0.51 0.98 0.00 0.00 173.24 173.96 1wuz s ILE 9 N 1.28 -0.12 0.22 -1.02 2.07 -1.04 -4.52 121.20 118.07 1wuz s ILE 9 Ca -0.03 0.22 -0.30 0.00 -1.41 0.00 0.00 60.65 59.14 1wuz s ILE 9 Cb -0.14 -0.28 -0.09 0.00 0.13 0.00 0.00 42.46 42.08 1wuz s ILE 9 CO -0.04 0.09 1.28 -2.16 -1.91 0.00 0.00 174.94 172.21 1wuz s PRO 10 N 1.52 4.41 0.99 3.50 0.04 -1.26 -2.44 135.00 141.75 1wuz s PRO 10 Ca -0.06 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 62.87 1wuz s PRO 10 Cb -0.12 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 1wuz s PRO 10 CO -0.06 -0.19 -0.07 0.39 0.04 0.00 0.00 177.00 177.10 1wuz n GLU 11 N 2.24 -0.34 -2.56 4.56 1.02 -0.99 -3.02 120.64 121.55 1wuz n GLU 11 Ca 0.04 -0.07 -0.17 0.00 -0.02 0.00 0.00 57.16 56.94 1wuz n GLU 11 Cb 0.43 -1.56 0.01 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 -0.37 -2.51 -2.71 3.49 2.13 -1.24 -4.93 120.64 114.49 1wuz n GLU 12 Ca 0.03 0.78 -0.42 0.00 0.66 0.00 0.00 57.16 58.21 1wuz n GLU 12 Cb 0.56 -5.25 -0.03 0.00 0.27 0.00 0.00 31.44 26.99 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 -2.94 2.95 0.87 4.31 0.00 -1.17 -4.89 121.76 120.89 1wuz s ALA 13 Ca 0.11 -1.65 -0.13 0.00 0.00 0.00 0.00 51.96 50.29 1wuz s ALA 13 Cb -0.05 -4.06 0.07 0.00 0.00 0.00 0.00 23.12 19.08 1wuz s ALA 13 CO 0.13 -3.03 0.85 1.63 0.00 0.00 0.00 175.76 175.34 1wuz n LYS 14 N 8.47 -0.10 -1.68 0.00 4.76 -1.26 -4.40 118.16 123.94 1wuz n LYS 14 Ca 0.00 0.03 -0.49 0.00 -2.87 0.00 0.00 58.31 54.98 1wuz n LYS 14 Cb 0.47 -2.16 -0.05 0.00 -1.84 0.00 0.00 35.03 31.45 1wuz n LYS 14 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1wuz n HIS 15 N -3.49 2.24 0.00 2.13 8.25 -1.26 -1.68 115.22 121.40 1wuz n HIS 15 Ca 0.11 0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 1wuz n HIS 15 Cb 0.52 -2.60 0.00 0.00 1.12 0.00 0.00 29.99 29.03 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 4.09 1.03 3.80 -1.41 0.00 -0.82 -4.88 105.19 107.00 1wuz n GLY 16 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 4.48 0.46 2.61 2.01 -0.68 -4.65 115.64 117.88 1wuz s THR 17 Ca 0.00 1.44 -0.25 0.00 0.31 0.00 0.00 61.69 63.19 1wuz s THR 17 Cb 0.00 -3.94 -0.08 0.00 0.01 0.00 0.00 72.50 68.49 1wuz s THR 17 CO 0.00 0.27 1.44 0.33 -0.69 0.00 0.00 174.62 175.97 1wuz n PHE 18 N 0.91 2.71 0.00 4.92 7.35 -1.26 -1.92 117.46 130.16 1wuz n PHE 18 Ca -0.03 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.10 1wuz n PHE 18 Cb 0.50 -2.46 0.00 0.00 0.35 0.00 0.00 39.48 37.88 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 -0.28 0.00 0.00 -2.13 0.31 -0.60 -4.76 118.33 110.86 1wuz n VAL 19 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1wuz n VAL 19 Cb 0.42 -0.55 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 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 2.18 3.12 3.50 2.92 0.00 -1.25 -2.15 105.19 113.51 1wuz n GLY 20 Ca 0.00 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 0.51 -0.07 1.61 5.12 -1.26 -3.64 116.66 118.93 1wuz n ARG 21 Ca 0.00 0.04 -0.12 0.00 -1.93 0.00 0.00 57.85 55.84 1wuz n ARG 21 Cb 0.00 -2.30 0.01 0.00 -1.16 0.00 0.00 32.46 29.01 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 7.72 1.28 -0.07 0.55 2.10 -1.89 -2.50 117.51 124.71 1wuz h ILE 22 Ca -0.15 -1.63 -0.04 0.00 1.08 0.00 0.00 64.86 64.12 1wuz h ILE 22 Cb 1.30 1.52 -0.00 0.00 -1.09 0.00 0.00 36.82 38.55 1wuz h ILE 22 CO 1.24 0.53 -0.11 0.00 -1.08 0.00 0.00 178.15 178.73 1wuz h ALA 23 N 0.86 0.11 -1.01 0.18 0.00 -1.87 -1.48 119.26 116.06 1wuz h ALA 23 Ca 0.04 -0.32 0.08 0.00 0.00 0.00 0.00 54.91 54.71 1wuz h ALA 23 Cb 1.01 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 1wuz h ALA 23 CO 0.10 -0.03 0.65 0.37 0.00 0.00 0.00 179.25 180.34 1wuz h GLN 24 N -0.26 1.10 0.00 0.00 -0.00 -1.87 0.23 115.11 114.30 1wuz h GLN 24 Ca 0.01 -0.07 -0.12 0.00 -0.00 0.00 0.00 58.65 58.47 1wuz h GLN 24 Cb 0.67 -0.25 -0.02 0.00 0.00 0.00 0.00 27.48 27.88 1wuz h GLN 24 CO 0.03 0.72 -0.59 -0.44 0.00 0.00 0.00 178.83 178.55 1wuz h ASP 25 N 1.13 0.00 0.07 -0.69 3.32 -1.44 -3.22 116.42 115.59 1wuz h ASP 25 Ca 0.45 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 57.24 1wuz h ASP 25 Cb 0.26 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.83 1wuz h ASP 25 CO -0.20 0.59 -1.06 -0.07 -1.72 0.00 0.00 179.24 176.78 1wuz h LEU 26 N 0.00 0.86 -0.80 1.55 4.07 -0.02 -3.49 115.31 117.48 1wuz h LEU 26 Ca -0.01 -0.70 0.00 0.00 0.08 0.00 0.00 57.88 57.25 1wuz h LEU 26 Cb 1.21 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 42.69 1wuz h LEU 26 CO 0.08 1.50 0.00 0.61 -1.08 0.00 0.00 178.44 179.55 1wuz n GLY 27 N 1.10 0.68 1.34 0.83 0.00 0.65 -4.72 105.19 105.07 1wuz n GLY 27 Ca -0.11 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.40 0.00 -4.85 0.99 4.77 -1.22 -5.09 117.00 111.20 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 0.40 -0.06 0.00 -2.33 0.00 0.00 43.42 41.69 1wuz n LEU 28 CO 0.00 -0.19 -0.20 -1.61 -1.33 0.00 0.00 177.39 174.06 1wuz s GLU 29 N -2.62 3.28 0.42 3.23 0.41 -1.26 -4.83 118.70 117.32 1wuz s GLU 29 Ca 0.08 -0.39 0.20 0.00 -0.41 0.00 0.00 54.97 54.46 1wuz s GLU 29 Cb 0.00 -3.00 0.92 0.00 -1.78 0.00 0.00 34.13 30.27 1wuz s GLU 29 CO 0.06 0.67 1.85 -0.07 -0.49 0.00 0.00 175.26 177.27 1wuz h LEU 30 N 3.96 0.00 -1.68 1.80 -0.00 -1.93 -2.31 115.31 115.14 1wuz h LEU 30 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.39 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 0.66 0.29 0.00 0.41 -0.00 0.00 0.00 178.44 179.80 1wuz n THR 31 N -3.67 0.23 0.54 0.22 -1.04 -1.26 -3.92 114.28 105.38 1wuz n THR 31 Ca -0.01 -0.50 0.10 0.00 -2.04 0.00 0.00 64.05 61.60 1wuz n THR 31 Cb 0.41 0.85 -0.13 0.00 -1.82 0.00 0.00 70.33 69.63 1wuz n THR 31 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1wuz n GLU 32 N 0.93 0.51 -0.14 -2.82 4.07 -0.88 -4.39 120.64 117.92 1wuz n GLU 32 Ca 0.17 -0.08 -0.10 0.00 -0.06 0.00 0.00 57.16 57.09 1wuz n GLU 32 Cb 0.49 -1.46 -0.01 0.00 -0.06 0.00 0.00 31.44 30.40 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 0.00 0.72 0.16 4.31 3.38 -1.66 -1.11 115.31 121.12 1wuz h LEU 33 Ca 0.00 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.67 1wuz h LEU 33 Cb 0.67 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 1wuz h LEU 33 CO 0.00 0.87 -0.44 0.58 0.09 0.00 0.00 178.44 179.53 1wuz h VAL 34 N 0.57 0.12 0.00 1.22 2.07 -1.80 -1.27 116.25 117.15 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 0.50 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.39 1wuz h VAL 34 CO 0.02 0.00 0.00 1.55 0.02 0.00 0.00 177.57 179.16 1wuz h PRO 35 N -0.70 0.00 -0.24 1.57 0.13 -1.79 -2.34 132.00 128.63 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 -2.48 1.77 -3.87 0.86 1.74 -0.42 -4.87 116.66 109.39 1wuz n ARG 36 Ca 0.02 -1.17 -0.32 0.00 -0.77 0.00 0.00 57.85 55.61 1wuz n ARG 36 Cb 0.25 -1.35 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 0.41 -2.13 -4.75 0.55 7.99 -0.85 -1.16 117.00 117.06 1wuz n LEU 37 Ca 0.15 -1.07 -0.42 0.00 -0.01 0.00 0.00 56.01 54.66 1wuz n LEU 37 Cb 0.32 -2.18 -0.01 0.00 -0.11 0.00 0.00 43.42 41.45 1wuz n LEU 37 CO 0.11 0.52 1.18 0.33 -1.51 0.00 0.00 177.39 178.02 1wuz n PHE 38 N -4.42 2.84 -3.79 -1.77 7.35 -1.01 -2.69 117.46 113.97 1wuz n PHE 38 Ca -0.18 0.34 -0.13 0.00 -0.76 0.00 0.00 57.45 56.73 1wuz n PHE 38 Cb 0.62 -2.56 -0.11 0.00 0.35 0.00 0.00 39.48 37.79 1wuz n PHE 38 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 1wuz s ARG 39 N -1.13 0.39 -0.05 -4.13 0.52 0.58 -4.98 118.95 110.17 1wuz s ARG 39 Ca 0.60 0.19 0.06 0.00 -0.52 0.00 0.00 55.73 56.06 1wuz s ARG 39 Cb -0.50 0.18 -0.01 0.00 0.52 0.00 0.00 34.95 35.14 1wuz s ARG 39 CO 0.55 -0.07 -0.24 0.08 0.02 0.00 0.00 175.30 175.64 1wuz s VAL 40 N -0.29 2.19 0.15 3.52 1.01 -1.26 -0.25 120.40 125.47 1wuz s VAL 40 Ca -0.04 -1.03 -0.15 0.00 0.00 0.00 0.00 61.98 60.76 1wuz s VAL 40 Cb -0.03 -1.79 0.02 0.00 0.00 0.00 0.00 36.38 34.58 1wuz s VAL 40 CO 0.01 0.57 0.40 0.00 0.00 0.00 0.00 175.10 176.08 1wuz s ALA 41 N -0.32 -0.70 0.05 5.51 0.00 -0.87 -4.92 121.76 120.51 1wuz s ALA 41 Ca 0.01 -0.30 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 1wuz s ALA 41 Cb -0.12 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.72 1wuz s ALA 41 CO 0.02 -0.68 0.04 -1.54 0.00 0.00 0.00 175.76 173.60 1wuz s SER 42 N -2.86 0.33 0.00 0.00 1.04 -1.26 -1.42 113.70 109.53 1wuz s SER 42 Ca 0.07 -0.79 0.21 0.00 0.48 0.00 0.00 55.95 55.92 1wuz s SER 42 Cb 0.02 0.22 0.99 0.00 0.10 0.00 0.00 66.02 67.35 1wuz s SER 42 CO -0.07 -0.58 1.67 0.29 0.98 0.00 0.00 173.24 175.53 1wuz n LYS 43 N 0.35 1.34 0.00 4.02 4.76 -1.26 -3.82 118.16 123.55 1wuz n LYS 43 Ca -0.16 -0.51 0.00 0.00 -2.87 0.00 0.00 58.31 54.77 1wuz n LYS 43 Cb 0.60 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.44 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 -0.28 0.00 0.00 4.39 9.92 -1.26 -4.96 116.55 124.36 1wuz n ASP 44 Ca 0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.42 1wuz n ASP 44 Cb 0.19 -0.06 0.00 0.00 -0.64 0.00 0.00 41.12 40.62 1wuz n ASP 44 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1wuz n ARG 45 N -1.53 1.63 -0.95 -1.24 0.63 -1.26 -5.00 116.66 108.93 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 -0.86 0.00 0.00 0.45 0.00 0.00 32.46 32.05 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 2.03 0.32 2.26 5.14 0.00 -1.25 -4.87 105.19 108.82 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 -0.38 1.04 -0.07 1.61 2.03 -1.26 -4.50 116.55 115.02 1wuz n ASP 47 Ca 0.00 -2.91 -0.12 0.00 0.52 0.00 0.00 54.79 52.28 1wuz n ASP 47 Cb 0.19 -0.64 -0.06 0.00 -0.72 0.00 0.00 41.12 39.90 1wuz n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1wuz n LEU 48 N 1.03 2.13 -4.08 -2.67 4.77 -1.26 -4.52 117.00 112.40 1wuz n LEU 48 Ca 0.24 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 56.12 1wuz n LEU 48 Cb 0.53 -0.43 -0.05 0.00 -2.33 0.00 0.00 43.42 41.13 1wuz n LEU 48 CO 0.23 0.54 0.08 -0.76 -1.33 0.00 0.00 177.39 176.15 1wuz s LEU 49 N -6.18 0.85 -0.00 2.23 1.02 -1.26 -2.25 118.68 113.08 1wuz s LEU 49 Ca -0.18 -1.31 -0.19 0.00 0.02 0.00 0.00 54.13 52.46 1wuz s LEU 49 Cb 0.06 1.36 0.04 0.00 0.02 0.00 0.00 46.19 47.66 1wuz s LEU 49 CO 0.28 -1.17 0.41 -1.61 0.02 0.00 0.00 176.35 174.28 1wuz s GLU 50 N -3.53 0.82 -0.04 1.70 0.41 -1.07 -4.72 118.70 112.28 1wuz s GLU 50 Ca 0.30 -0.16 -0.04 0.00 -0.41 0.00 0.00 54.97 54.66 1wuz s GLU 50 Cb 0.01 0.37 -0.04 0.00 -1.78 0.00 0.00 34.13 32.69 1wuz s GLU 50 CO 0.16 -0.25 0.17 0.54 -0.49 0.00 0.00 175.26 175.39 1wuz s VAL 51 N -1.67 5.45 -0.26 2.63 0.11 -1.26 -2.45 120.40 122.94 1wuz s VAL 51 Ca -0.10 -0.07 -0.11 0.00 -2.93 0.00 0.00 61.98 58.77 1wuz s VAL 51 Cb -0.03 -3.50 -0.05 0.00 -1.53 0.00 0.00 36.38 31.27 1wuz s VAL 51 CO 0.03 0.40 0.19 0.21 -3.33 0.00 0.00 175.10 172.60 1wuz s ASN 52 N -1.71 6.07 0.00 3.54 2.47 -1.05 -4.95 114.94 119.31 1wuz s ASN 52 Ca 0.24 0.05 0.17 0.00 0.42 0.00 0.00 52.86 53.74 1wuz s ASN 52 Cb -0.12 -2.12 0.80 0.00 -1.45 0.00 0.00 41.25 38.35 1wuz s ASN 52 CO 0.15 -0.01 1.54 0.18 -3.72 0.00 0.00 177.10 175.24 1wuz n LEU 53 N 4.78 0.00 0.40 3.21 4.77 -1.26 -0.02 117.00 128.88 1wuz n LEU 53 Ca -0.14 0.41 -0.16 0.00 -0.03 0.00 0.00 56.01 56.09 1wuz n LEU 53 Cb 0.52 -0.41 -0.08 0.00 -2.33 0.00 0.00 43.42 41.12 1wuz n LEU 53 CO 0.34 -0.17 0.42 -0.61 -1.33 0.00 0.00 177.39 176.04 1wuz h GLN 54 N 0.00 -1.00 0.00 3.23 -0.00 -1.92 -3.41 115.11 112.01 1wuz h GLN 54 Ca 0.00 0.07 -0.02 0.00 -0.00 0.00 0.00 58.65 58.70 1wuz h GLN 54 Cb 0.24 0.23 -0.00 0.00 0.00 0.00 0.00 27.48 27.95 1wuz h GLN 54 CO 0.00 -0.67 -1.11 -1.71 0.00 0.00 0.00 178.83 175.34 1wuz n ASN 55 N -5.41 4.53 0.00 -0.69 5.15 -1.23 -5.02 115.26 112.59 1wuz n ASN 55 Ca -0.13 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 1wuz n ASN 55 Cb 0.41 0.85 0.00 0.00 -0.53 0.00 0.00 39.78 40.51 1wuz n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wuz n GLY 56 N 2.60 2.19 3.67 8.20 0.00 0.97 -4.94 105.19 117.89 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 -1.23 3.88 -3.52 -0.61 0.13 -1.26 -3.74 119.36 113.01 1wuz n ILE 57 Ca 0.00 -0.50 -0.37 0.00 -1.10 0.00 0.00 62.75 60.78 1wuz n ILE 57 Cb 0.00 -1.37 -0.09 0.00 -0.84 0.00 0.00 39.64 37.35 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 -2.76 4.13 0.26 9.51 1.98 -1.24 -2.53 118.68 128.03 1wuz s LEU 58 Ca 0.75 0.30 0.11 0.00 -2.89 0.00 0.00 54.13 52.41 1wuz s LEU 58 Cb -0.42 -2.31 -0.05 0.00 0.66 0.00 0.00 46.19 44.07 1wuz s LEU 58 CO 0.47 -0.02 -0.18 0.72 -1.89 0.00 0.00 176.35 175.46 1wuz s PHE 59 N 1.25 2.36 0.44 5.38 -0.71 -1.03 -1.56 117.98 124.11 1wuz s PHE 59 Ca 0.13 -0.32 -0.25 0.00 -1.04 0.00 0.00 56.93 55.46 1wuz s PHE 59 Cb -0.14 -1.05 -0.08 0.00 -1.21 0.00 0.00 43.02 40.53 1wuz s PHE 59 CO 0.06 0.66 1.31 0.08 -1.34 0.00 0.00 175.22 175.99 1wuz s VAL 60 N -2.31 2.53 -0.06 -2.49 1.01 -0.81 -2.58 120.40 115.69 1wuz s VAL 60 Ca 0.28 0.45 0.25 0.00 0.00 0.00 0.00 61.98 62.96 1wuz s VAL 60 Cb -0.06 -3.26 0.44 0.00 0.00 0.00 0.00 36.38 33.51 1wuz s VAL 60 CO 0.15 0.05 1.16 -3.20 0.00 0.00 0.00 175.10 173.26 1wuz n ASN 61 N -0.17 1.17 -0.95 3.32 5.15 -0.96 -1.95 115.26 120.87 1wuz n ASN 61 Ca 0.05 -2.10 0.00 0.00 -0.60 0.00 0.00 54.58 51.93 1wuz n ASN 61 Cb 0.44 -0.34 0.00 0.00 -0.53 0.00 0.00 39.78 39.35 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 0.22 0.00 -4.70 1.20 3.41 -0.96 -4.37 113.62 108.41 1wuz n SER 62 Ca 0.07 -0.95 -0.41 0.00 -0.26 0.00 0.00 58.87 57.32 1wuz n SER 62 Cb 1.06 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.98 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 4.45 -0.01 4.33 1.81 -1.26 -4.48 118.95 121.93 1wuz s ARG 63 Ca 0.00 1.15 0.13 0.00 -1.72 0.00 0.00 55.73 55.29 1wuz s ARG 63 Cb 0.00 -3.49 -0.18 0.00 -0.45 0.00 0.00 34.95 30.82 1wuz s ARG 63 CO 0.00 -0.11 0.33 -0.89 -0.68 0.00 0.00 175.30 173.95 1wuz n ILE 64 N 4.12 0.00 -1.56 1.52 2.08 -1.26 -4.15 119.36 120.12 1wuz n ILE 64 Ca 0.04 -0.27 -0.45 0.00 0.56 0.00 0.00 62.75 62.63 1wuz n ILE 64 Cb 0.50 0.37 -0.01 0.00 -0.75 0.00 0.00 39.64 39.75 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 -1.81 0.84 -0.30 4.38 9.92 -1.26 -3.74 116.55 124.59 1wuz n ASP 65 Ca -0.01 1.15 0.27 0.00 -0.53 0.00 0.00 54.79 55.67 1wuz n ASP 65 Cb 0.30 -1.24 0.60 0.00 -0.64 0.00 0.00 41.12 40.15 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 1.77 0.23 -0.37 -1.24 0.11 -1.95 0.54 114.38 113.47 1wuz h ARG 66 Ca -0.38 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 59.68 1wuz h ARG 66 Cb 1.36 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.37 1wuz h ARG 66 CO 0.59 0.15 0.22 1.49 0.10 0.00 0.00 179.97 182.53 1wuz h GLU 67 N 0.24 0.51 0.00 0.08 4.57 -1.87 0.39 114.58 118.50 1wuz h GLU 67 Ca 0.56 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.67 1wuz h GLU 67 Cb 1.72 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 30.20 1wuz h GLU 67 CO -0.18 0.39 -0.23 0.93 -1.18 0.00 0.00 179.01 178.75 1wuz h GLU 68 N 0.49 0.00 0.00 1.92 4.39 -1.07 -3.41 114.58 116.90 1wuz h GLU 68 Ca 0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.83 1wuz h GLU 68 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1wuz h GLU 68 CO -0.02 0.37 0.00 -0.11 -1.16 0.00 0.00 179.01 178.09 1wuz n LEU 69 N -4.67 0.00 0.08 1.33 -0.00 0.16 -4.89 117.00 109.00 1wuz n LEU 69 Ca -0.07 0.90 0.00 0.00 -0.00 0.00 0.00 56.01 56.83 1wuz n LEU 69 Cb 0.25 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.27 1wuz n LEU 69 CO 0.13 -0.40 0.00 0.00 -0.00 0.00 0.00 177.39 177.12 1wuz n GLY 71 N -1.44 0.66 0.00 0.00 0.00 0.13 -4.74 105.19 99.79 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 0.54 0.00 0.00 0.00 173.32 173.86 1wuz n ARG 72 N -0.90 0.00 -4.11 1.61 5.12 -1.26 -4.94 116.66 112.18 1wuz n ARG 72 Ca -0.06 0.28 -0.27 0.00 -1.93 0.00 0.00 57.85 55.88 1wuz n ARG 72 Cb 0.43 -0.86 -0.06 0.00 -1.16 0.00 0.00 32.46 30.80 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 -2.11 5.30 0.49 0.55 0.15 -1.26 -5.00 113.70 111.82 1wuz s SER 73 Ca 0.00 -0.19 0.26 0.00 0.70 0.00 0.00 55.95 56.72 1wuz s SER 73 Cb 0.00 -1.32 1.32 0.00 -1.71 0.00 0.00 66.02 64.30 1wuz s SER 73 CO 0.00 0.09 1.88 0.00 1.20 0.00 0.00 173.24 176.41 1wuz h ALA 74 N 2.65 2.56 -3.45 5.45 0.00 -1.89 -3.34 119.26 121.23 1wuz h ALA 74 Ca -0.47 -0.01 -0.68 0.00 0.00 0.00 0.00 54.91 53.74 1wuz h ALA 74 Cb 1.19 0.03 -0.32 0.00 0.00 0.00 0.00 17.79 18.69 1wuz h ALA 74 CO 0.62 -0.83 -0.69 -1.21 0.00 0.00 0.00 179.25 177.14 1wuz s GLU 75 N -5.17 2.47 -0.12 0.00 2.02 -1.26 -4.31 118.70 112.33 1wuz s GLU 75 Ca -0.06 -1.24 -0.01 0.00 0.02 0.00 0.00 54.97 53.68 1wuz s GLU 75 Cb 0.22 -3.22 -0.02 0.00 0.10 0.00 0.00 34.13 31.21 1wuz s GLU 75 CO 0.77 -0.62 -0.09 0.00 0.02 0.00 0.00 175.26 175.34 1wuz s SER 77 N 0.05 5.34 -0.05 0.00 0.01 -1.26 -2.44 113.70 115.35 1wuz s SER 77 Ca -0.03 0.15 0.06 0.00 1.31 0.00 0.00 55.95 57.45 1wuz s SER 77 Cb -0.14 -1.58 -0.01 0.00 0.21 0.00 0.00 66.02 64.50 1wuz s SER 77 CO 0.04 0.36 -0.23 -0.63 0.41 0.00 0.00 173.24 173.18 1wuz s ILE 78 N -0.74 1.90 -0.04 1.44 1.09 -0.80 -5.03 121.20 119.02 1wuz s ILE 78 Ca 0.12 -0.99 0.04 0.00 -1.10 0.00 0.00 60.65 58.72 1wuz s ILE 78 Cb -0.12 -1.60 -0.03 0.00 -1.06 0.00 0.00 42.46 39.66 1wuz s ILE 78 CO 0.02 0.53 -0.15 -1.00 -0.10 0.00 0.00 174.94 174.24 1wuz s HIS 79 N -0.20 2.68 0.05 3.97 3.76 -1.26 -1.95 115.29 122.33 1wuz s HIS 79 Ca -0.01 -0.17 -0.07 0.00 -0.15 0.00 0.00 55.06 54.65 1wuz s HIS 79 Cb -0.12 -1.62 -0.00 0.00 1.11 0.00 0.00 32.58 31.94 1wuz s HIS 79 CO 0.02 0.18 0.14 -1.17 -0.85 0.00 0.00 174.74 173.07 1wuz s LEU 80 N -0.75 1.60 -0.16 0.89 0.20 0.85 -4.65 118.68 116.66 1wuz s LEU 80 Ca 0.11 -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 46.50 1wuz s LEU 80 CO 0.01 -0.56 -0.00 -1.61 -0.29 0.00 0.00 176.35 173.89 1wuz s GLU 81 N -2.83 0.96 -0.50 1.98 2.02 -0.51 -0.23 118.70 119.60 1wuz s GLU 81 Ca -0.03 -0.39 -0.21 0.00 0.02 0.00 0.00 54.97 54.36 1wuz s GLU 81 Cb 0.00 -1.90 0.04 0.00 0.10 0.00 0.00 34.13 32.38 1wuz s GLU 81 CO -0.05 -0.51 0.72 0.08 0.02 0.00 0.00 175.26 175.51 1wuz s VAL 82 N 1.78 4.73 0.03 2.63 1.01 0.03 -2.05 120.40 128.56 1wuz s VAL 82 Ca 0.00 -0.13 -0.26 0.00 0.00 0.00 0.00 61.98 61.59 1wuz s VAL 82 Cb -0.16 -4.34 -0.05 0.00 0.00 0.00 0.00 36.38 31.83 1wuz s VAL 82 CO -0.07 -0.83 0.83 -0.63 0.00 0.00 0.00 175.10 174.39 1wuz s ILE 83 N 3.03 4.77 -0.06 2.22 1.09 0.65 -0.33 121.20 132.58 1wuz s ILE 83 Ca 0.21 1.75 0.04 0.00 -1.10 0.00 0.00 60.65 61.55 1wuz s ILE 83 Cb -0.16 -4.17 0.00 0.00 -1.06 0.00 0.00 42.46 37.07 1wuz s ILE 83 CO 0.16 0.30 -0.17 0.68 -0.10 0.00 0.00 174.94 175.81 1wuz s VAL 84 N 0.28 1.48 -0.36 2.92 -7.23 0.73 -0.30 120.40 117.92 1wuz s VAL 84 Ca 0.42 -0.71 -0.13 0.00 -1.81 0.00 0.00 61.98 59.75 1wuz s VAL 84 Cb -0.21 -1.29 -0.00 0.00 0.56 0.00 0.00 36.38 35.44 1wuz s VAL 84 CO 0.24 0.43 0.25 -0.62 -0.31 0.00 0.00 175.10 175.09 1wuz s ASP 85 N 0.29 6.02 -0.21 4.85 2.15 -0.31 -2.06 116.67 127.39 1wuz s ASP 85 Ca -0.10 -0.58 -0.04 0.00 0.43 0.00 0.00 52.55 52.25 1wuz s ASP 85 Cb -0.14 -2.13 0.01 0.00 -0.30 0.00 0.00 42.92 40.36 1wuz s ASP 85 CO 0.04 -0.30 0.16 0.54 -0.17 0.00 0.00 175.17 175.44 1wuz n ARG 86 N 5.11 -1.73 -1.36 4.34 3.00 -1.26 -3.42 116.66 121.34 1wuz n ARG 86 Ca -0.12 1.65 -0.31 0.00 -0.01 0.00 0.00 57.85 59.06 1wuz n ARG 86 Cb 0.49 -3.70 0.08 0.00 0.00 0.00 0.00 32.46 29.33 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 -1.39 2.36 -0.42 5.56 0.04 -1.26 -4.26 135.00 135.63 1wuz s PRO 87 Ca 0.06 1.21 -0.22 0.00 0.04 0.00 0.00 61.00 62.10 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 0.45 -1.57 0.72 -0.51 0.04 0.00 0.00 177.00 176.13 1wuz s LEU 88 N -5.72 4.30 -0.10 -3.56 1.02 -1.25 -4.63 118.68 108.75 1wuz s LEU 88 Ca 0.62 -0.07 -0.32 0.00 0.02 0.00 0.00 54.13 54.38 1wuz s LEU 88 Cb -0.18 -2.88 0.13 0.00 0.02 0.00 0.00 46.19 43.28 1wuz s LEU 88 CO 0.53 -0.81 1.42 -1.10 0.02 0.00 0.00 176.35 176.41 1wuz s GLN 89 N 3.05 0.02 0.09 1.70 -1.52 -0.88 -5.03 119.66 117.09 1wuz s GLN 89 Ca 0.27 -0.01 0.06 0.00 -1.95 0.00 0.00 55.36 53.73 1wuz s GLN 89 Cb -0.13 0.00 -0.03 0.00 -0.22 0.00 0.00 33.01 32.63 1wuz s GLN 89 CO 0.20 -0.01 -0.16 0.54 -0.25 0.00 0.00 175.29 175.61 1wuz s VAL 90 N -2.01 1.28 -0.13 1.09 0.11 -1.26 -0.19 120.40 119.29 1wuz s VAL 90 Ca 0.22 -1.41 -0.02 0.00 -2.93 0.00 0.00 61.98 57.84 1wuz s VAL 90 Cb 0.05 -1.24 -0.02 0.00 -1.53 0.00 0.00 36.38 33.63 1wuz s VAL 90 CO -0.05 -0.21 -0.07 -0.36 -3.33 0.00 0.00 175.10 171.07 1wuz s PHE 91 N -1.36 2.94 -0.38 1.54 0.08 0.56 -4.89 117.98 116.47 1wuz s PHE 91 Ca 0.01 -0.35 -0.26 0.00 0.12 0.00 0.00 56.93 56.45 1wuz s PHE 91 Cb -0.09 -1.88 0.02 0.00 -0.57 0.00 0.00 43.02 40.49 1wuz s PHE 91 CO 0.03 -0.03 0.94 -1.58 -0.10 0.00 0.00 175.22 174.48 1wuz s HIS 92 N 0.16 3.05 -0.09 0.36 2.46 -0.44 -0.79 115.29 120.00 1wuz s HIS 92 Ca -0.04 0.75 0.00 0.00 0.47 0.00 0.00 55.06 56.25 1wuz s HIS 92 Cb -0.14 -3.72 -0.03 0.00 -0.13 0.00 0.00 32.58 28.56 1wuz s HIS 92 CO 0.04 -0.87 -0.09 0.08 -2.47 0.00 0.00 174.74 171.43 1wuz s VAL 93 N 3.56 3.51 -0.22 0.89 1.01 0.68 -1.92 120.40 127.92 1wuz s VAL 93 Ca 0.39 -0.53 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 1wuz s VAL 93 Cb -0.12 -2.45 0.07 0.00 0.00 0.00 0.00 36.38 33.88 1wuz s VAL 93 CO 0.20 0.56 0.04 -1.61 0.00 0.00 0.00 175.10 174.30 1wuz s GLU 94 N -0.37 0.68 -0.19 2.72 2.02 -0.24 -0.10 118.70 123.22 1wuz s GLU 94 Ca 0.05 -0.54 -0.05 0.00 0.02 0.00 0.00 54.97 54.45 1wuz s GLU 94 Cb -0.12 -2.08 -0.03 0.00 0.10 0.00 0.00 34.13 32.00 1wuz s GLU 94 CO 0.02 -0.70 -0.00 0.14 0.02 0.00 0.00 175.26 174.74 1wuz s VAL 95 N 1.82 4.01 0.15 2.63 -7.23 -0.82 -0.40 120.40 120.55 1wuz s VAL 95 Ca 0.01 -0.30 0.02 0.00 -1.81 0.00 0.00 61.98 59.90 1wuz s VAL 95 Cb -0.17 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 33.93 1wuz s VAL 95 CO -0.11 0.44 0.29 -1.83 -0.31 0.00 0.00 175.10 173.57 1wuz s GLU 96 N 0.84 3.45 -0.26 4.82 -1.05 -1.10 -1.90 118.70 123.51 1wuz s GLU 96 Ca 0.01 -0.56 -0.08 0.00 -0.15 0.00 0.00 54.97 54.18 1wuz s GLU 96 Cb -0.14 -2.96 -0.03 0.00 -0.44 0.00 0.00 34.13 30.55 1wuz s GLU 96 CO 0.02 0.52 0.10 0.14 0.95 0.00 0.00 175.26 176.98 1wuz s VAL 97 N -1.74 4.54 -0.42 1.83 -7.23 -1.02 -2.50 120.40 113.86 1wuz s VAL 97 Ca 0.35 -0.10 -0.23 0.00 -1.81 0.00 0.00 61.98 60.19 1wuz s VAL 97 Cb -0.11 -3.14 0.02 0.00 0.56 0.00 0.00 36.38 33.71 1wuz s VAL 97 CO 0.29 0.32 0.79 -0.60 -0.31 0.00 0.00 175.10 175.58 1wuz s ARG 98 N 1.65 3.53 -0.02 4.82 3.52 -1.02 -4.36 118.95 127.07 1wuz s ARG 98 Ca 0.07 0.05 -0.08 0.00 -0.13 0.00 0.00 55.73 55.64 1wuz s ARG 98 Cb -0.15 -3.89 0.03 0.00 -1.56 0.00 0.00 34.95 29.37 1wuz s ARG 98 CO 0.05 -1.03 0.37 -0.25 -0.81 0.00 0.00 175.30 173.63 1wuz n ASP 99 N 6.64 -0.28 -4.33 -2.12 9.92 -1.26 -2.34 116.55 122.78 1wuz n ASP 99 Ca 0.03 -1.01 -0.21 0.00 -0.53 0.00 0.00 54.79 53.07 1wuz n ASP 99 Cb 0.48 0.42 -0.11 0.00 -0.64 0.00 0.00 41.12 41.28 1wuz n ASP 99 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1wuz s ILE 100 N -2.02 1.76 -0.04 0.53 -1.09 -1.26 -4.67 121.20 114.41 1wuz s ILE 100 Ca 0.09 -1.97 -0.25 0.00 -2.23 0.00 0.00 60.65 56.29 1wuz s ILE 100 Cb -0.00 -1.86 -0.19 0.00 -1.58 0.00 0.00 42.46 38.82 1wuz s ILE 100 CO -0.01 -0.39 1.11 -1.13 -1.23 0.00 0.00 174.94 173.30 1wuz h ASN 101 N 3.10 -0.09 -0.71 3.58 -1.24 -1.87 -3.27 115.58 115.08 1wuz h ASN 101 Ca -0.41 -0.46 -0.30 0.00 0.71 0.00 0.00 56.30 55.85 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 0.54 0.45 0.31 -0.67 -1.29 0.00 0.00 177.43 176.76 1wuz n ASP 102 N -4.88 3.93 0.00 1.15 2.03 -1.26 -4.95 116.55 112.56 1wuz n ASP 102 Ca -0.08 -3.45 0.00 0.00 0.52 0.00 0.00 54.79 51.77 1wuz n ASP 102 Cb 0.27 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.93 1wuz n ASP 102 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87