#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jw0 s GLN 2 N 0.00 2.04 0.04 2.12 0.74 -1.26 0.14 119.66 123.48 3jw0 s GLN 2 Ca 0.00 -0.49 0.07 0.00 0.05 0.00 0.00 55.36 54.99 3jw0 s GLN 2 Cb 0.00 -1.81 -0.02 0.00 1.10 0.00 0.00 33.01 32.28 3jw0 s GLN 2 CO 0.00 -0.11 -0.20 0.96 -0.55 0.00 0.00 175.29 175.39 3jw0 s ILE 3 N 1.14 1.62 0.21 -2.34 -4.36 -0.76 -1.42 121.20 115.30 3jw0 s ILE 3 Ca -0.04 -1.15 0.04 0.00 -0.26 0.00 0.00 60.65 59.24 3jw0 s ILE 3 Cb -0.14 -1.41 -0.03 0.00 1.25 0.00 0.00 42.46 42.13 3jw0 s ILE 3 CO -0.03 0.22 0.32 -0.36 0.24 0.00 0.00 174.94 175.33 3jw0 s PHE 4 N -0.77 3.44 -0.46 1.37 0.08 -0.77 -1.70 117.98 119.17 3jw0 s PHE 4 Ca 0.07 0.02 0.03 0.00 0.12 0.00 0.00 56.93 57.17 3jw0 s PHE 4 Cb -0.09 -1.59 0.15 0.00 -0.57 0.00 0.00 43.02 40.93 3jw0 s PHE 4 CO 0.01 0.47 0.30 0.08 -0.10 0.00 0.00 175.22 175.99 3jw0 s VAL 5 N -1.91 1.14 0.20 -0.44 1.01 -0.83 -1.28 120.40 118.29 3jw0 s VAL 5 Ca 0.34 -2.72 -0.30 0.00 0.00 0.00 0.00 61.98 59.30 3jw0 s VAL 5 Cb -0.10 -1.79 -0.08 0.00 0.00 0.00 0.00 36.38 34.41 3jw0 s VAL 5 CO 0.28 -1.02 1.16 -0.75 0.00 0.00 0.00 175.10 174.77 3jw0 s LYS 6 N 0.10 4.54 0.00 2.72 2.20 -0.41 -3.28 119.74 125.61 3jw0 s LYS 6 Ca 0.23 1.83 0.00 0.00 -0.36 0.00 0.00 55.97 57.67 3jw0 s LYS 6 Cb -0.13 -3.24 0.00 0.00 -1.51 0.00 0.00 37.83 32.95 3jw0 s LYS 6 CO -0.08 -0.00 0.00 0.25 -0.36 0.00 0.00 175.35 175.16 3jw0 n THR 7 N 2.26 0.00 0.27 3.43 -2.24 -0.98 -1.80 114.28 115.23 3jw0 n THR 7 Ca 0.03 0.00 0.16 0.00 -2.27 0.00 0.00 64.05 61.97 3jw0 n THR 7 Cb 0.45 -0.91 0.63 0.00 -2.10 0.00 0.00 70.33 68.40 3jw0 n THR 7 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3jw0 h LEU 8 N 0.00 0.00-10.01 3.22 5.85 -1.88 -3.43 115.31 109.06 3jw0 h LEU 8 Ca 0.00 0.00 -0.56 0.00 0.84 0.00 0.00 57.88 58.16 3jw0 h LEU 8 Cb 0.00 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 3jw0 h LEU 8 CO 0.00 0.02 -0.30 -0.89 -0.34 0.00 0.00 178.44 176.93 3jw0 s THR 9 N -3.63 5.16 0.22 1.05 2.01 -1.26 -4.93 115.64 114.27 3jw0 s THR 9 Ca 0.02 -0.11 0.08 0.00 0.31 0.00 0.00 61.69 61.99 3jw0 s THR 9 Cb 0.09 -3.68 0.08 0.00 0.01 0.00 0.00 72.50 69.00 3jw0 s THR 9 CO 0.56 -0.09 1.11 1.23 -0.69 0.00 0.00 174.62 176.75 3jw0 h GLY 10 N 2.37 0.00 -4.39 4.40 0.00 -2.02 -3.42 103.07 100.02 3jw0 h GLY 10 Ca -0.47 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.28 3jw0 h GLY 10 CO 0.70 0.00 0.49 1.17 0.00 0.00 0.00 176.54 178.90 3jw0 n LYS 11 N -2.02 1.98 -4.00 4.80 4.81 -1.26 -4.87 118.16 117.61 3jw0 n LYS 11 Ca -0.01 0.70 -0.10 0.00 -0.87 0.00 0.00 58.31 58.04 3jw0 n LYS 11 Cb 0.53 -2.28 -0.11 0.00 0.02 0.00 0.00 35.03 33.19 3jw0 n LYS 11 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 3jw0 s THR 12 N -0.71 0.20 -0.09 3.15 2.01 -1.26 -2.31 115.64 116.62 3jw0 s THR 12 Ca 0.61 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.69 3jw0 s THR 12 Cb -0.62 -0.33 0.01 0.00 0.01 0.00 0.00 72.50 71.57 3jw0 s THR 12 CO 0.57 -0.48 -0.16 0.27 -0.69 0.00 0.00 174.62 174.14 3jw0 s ILE 13 N -1.44 1.51 0.20 1.82 -4.36 -1.20 -4.95 121.20 112.77 3jw0 s ILE 13 Ca -0.15 -0.68 -0.19 0.00 -0.26 0.00 0.00 60.65 59.38 3jw0 s ILE 13 Cb -0.10 -1.36 -0.08 0.00 1.25 0.00 0.00 42.46 42.17 3jw0 s ILE 13 CO -0.01 0.44 0.68 -0.89 0.24 0.00 0.00 174.94 175.41 3jw0 s THR 14 N 0.74 4.63 -0.05 8.37 2.01 -1.26 -1.96 115.64 128.13 3jw0 s THR 14 Ca -0.12 1.20 -0.02 0.00 0.31 0.00 0.00 61.69 63.06 3jw0 s THR 14 Cb -0.16 -3.84 0.03 0.00 0.01 0.00 0.00 72.50 68.54 3jw0 s THR 14 CO 0.02 0.24 0.07 -0.76 -0.69 0.00 0.00 174.62 173.51 3jw0 s LEU 15 N -1.91 0.21 -0.21 4.42 1.43 -0.69 -5.01 118.68 116.93 3jw0 s LEU 15 Ca 0.41 0.12 -0.27 0.00 -1.03 0.00 0.00 54.13 53.36 3jw0 s LEU 15 Cb -0.17 -0.06 -0.00 0.00 0.03 0.00 0.00 46.19 45.99 3jw0 s LEU 15 CO 0.21 -0.24 0.92 -1.61 0.23 0.00 0.00 176.35 175.87 3jw0 s GLU 16 N 2.06 4.25 0.33 1.70 0.41 -1.26 -1.83 118.70 124.36 3jw0 s GLU 16 Ca 0.03 1.15 0.05 0.00 -0.41 0.00 0.00 54.97 55.79 3jw0 s GLU 16 Cb -0.12 -3.62 -0.02 0.00 -1.78 0.00 0.00 34.13 28.58 3jw0 s GLU 16 CO -0.03 -0.51 0.33 0.14 -0.49 0.00 0.00 175.26 174.69 3jw0 s VAL 17 N 2.80 0.00 0.27 2.63 -7.23 0.12 -4.98 120.40 114.00 3jw0 s VAL 17 Ca 0.40 -1.90 0.09 0.00 -1.81 0.00 0.00 61.98 58.76 3jw0 s VAL 17 Cb -0.16 -2.54 -0.05 0.00 0.56 0.00 0.00 36.38 34.19 3jw0 s VAL 17 CO 0.08 0.00 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.14 3jw0 s GLU 18 N -3.33 1.56 0.62 4.82 0.41 -1.26 -2.11 118.70 119.41 3jw0 s GLU 18 Ca 0.38 -1.75 0.32 0.00 -0.41 0.00 0.00 54.97 53.51 3jw0 s GLU 18 Cb 0.02 -1.38 1.76 0.00 -1.78 0.00 0.00 34.13 32.75 3jw0 s GLU 18 CO 0.26 0.16 2.08 -1.35 -0.49 0.00 0.00 175.26 175.92 3jw0 h PRO 19 N 2.31 0.00 -0.72 0.39 0.11 -1.95 -2.53 132.00 129.61 3jw0 h PRO 19 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3jw0 h PRO 19 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3jw0 h PRO 19 CO 0.65 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.31 3jw0 n SER 20 N -3.46 3.93 -4.60 -2.05 3.41 -1.26 -3.09 113.62 106.51 3jw0 n SER 20 Ca 0.01 -2.01 -0.43 0.00 -0.26 0.00 0.00 58.87 56.18 3jw0 n SER 20 Cb 0.33 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 3jw0 n SER 20 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3jw0 s ASP 21 N -1.00 6.67 0.84 4.04 1.01 -0.96 -4.90 116.67 122.38 3jw0 s ASP 21 Ca 0.48 0.54 -0.13 0.00 0.71 0.00 0.00 52.55 54.16 3jw0 s ASP 21 Cb 0.25 -2.48 0.10 0.00 1.01 0.00 0.00 42.92 41.80 3jw0 s ASP 21 CO 0.33 -0.94 1.19 0.35 0.21 0.00 0.00 175.17 176.30 3jw0 n THR 22 N 6.15 1.54 0.21 -1.27 -2.24 -1.26 -2.74 114.28 114.66 3jw0 n THR 22 Ca 0.08 -0.16 0.17 0.00 -2.27 0.00 0.00 64.05 61.87 3jw0 n THR 22 Cb 0.48 -1.15 0.83 0.00 -2.10 0.00 0.00 70.33 68.39 3jw0 n THR 22 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3jw0 h ILE 23 N -1.15 0.49 -0.28 2.28 1.08 -1.38 -0.73 117.51 117.82 3jw0 h ILE 23 Ca -0.45 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.02 3jw0 h ILE 23 Cb 1.29 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 35.87 3jw0 h ILE 23 CO 0.45 0.00 0.18 -0.08 -0.69 0.00 0.00 178.15 178.00 3jw0 h GLU 24 N 0.00 0.35 0.00 2.37 4.81 -1.77 -1.75 114.58 118.59 3jw0 h GLU 24 Ca 0.09 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3jw0 h GLU 24 Cb 0.47 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3jw0 h GLU 24 CO -0.00 0.23 0.00 -0.91 -0.73 0.00 0.00 179.01 177.60 3jw0 h ASN 25 N 0.36 0.00 -0.24 1.04 -0.26 -1.45 -1.38 115.58 113.65 3jw0 h ASN 25 Ca 0.11 0.00 -0.20 0.00 -0.56 0.00 0.00 56.30 55.65 3jw0 h ASN 25 Cb -0.03 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 3jw0 h ASN 25 CO -0.03 0.00 -0.63 0.58 -1.06 0.00 0.00 177.43 176.28 3jw0 h VAL 26 N 0.00 1.27 0.00 2.81 2.07 -1.14 -1.57 116.25 119.70 3jw0 h VAL 26 Ca 0.00 -1.82 -0.05 0.00 0.82 0.00 0.00 66.70 65.66 3jw0 h VAL 26 Cb 0.42 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 3jw0 h VAL 26 CO 0.00 0.59 -0.22 0.11 0.02 0.00 0.00 177.57 178.07 3jw0 h LYS 27 N 0.62 0.00 0.00 1.57 1.57 -0.95 -0.36 116.57 119.01 3jw0 h LYS 27 Ca -0.01 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 3jw0 h LYS 27 Cb 1.25 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.54 3jw0 h LYS 27 CO 0.14 0.22 -0.74 0.00 -0.57 0.00 0.00 179.45 178.49 3jw0 h ALA 28 N 1.78 0.67 0.00 3.86 0.00 -0.95 -2.08 119.26 122.55 3jw0 h ALA 28 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 3jw0 h ALA 28 Cb 0.80 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3jw0 h ALA 28 CO 0.03 0.93 -1.10 1.63 0.00 0.00 0.00 179.25 180.74 3jw0 n LYS 29 N -3.50 0.33 -0.06 0.00 5.02 -0.62 -3.69 118.16 115.63 3jw0 n LYS 29 Ca -0.00 -0.01 -0.08 0.00 -2.02 0.00 0.00 58.31 56.20 3jw0 n LYS 29 Cb 0.76 -1.60 -0.07 0.00 -0.02 0.00 0.00 35.03 34.10 3jw0 n LYS 29 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3jw0 h ILE 30 N 0.00 0.94 -1.10 -0.18 2.04 -1.07 -3.32 117.51 114.81 3jw0 h ILE 30 Ca 0.00 -1.72 0.32 0.00 1.00 0.00 0.00 64.86 64.46 3jw0 h ILE 30 Cb 0.76 1.79 -0.12 0.00 -0.74 0.00 0.00 36.82 38.51 3jw0 h ILE 30 CO 0.00 0.32 0.69 -0.61 0.00 0.00 0.00 178.15 178.55 3jw0 h GLN 31 N -1.00 0.30 0.00 2.37 4.15 -1.54 0.73 115.11 120.13 3jw0 h GLN 31 Ca -0.01 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3jw0 h GLN 31 Cb 0.56 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.19 3jw0 h GLN 31 CO -0.01 0.20 0.00 -0.25 -1.93 0.00 0.00 178.83 176.84 3jw0 n ASP 32 N -4.74 0.00 0.00 -0.69 9.92 -1.24 0.44 116.55 120.23 3jw0 n ASP 32 Ca 0.30 0.34 0.00 0.00 -0.53 0.00 0.00 54.79 54.90 3jw0 n ASP 32 Cb 1.03 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 41.09 3jw0 n ASP 32 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3jw0 n LYS 33 N -1.42 5.42 0.00 -1.24 5.02 0.24 -4.81 118.16 121.38 3jw0 n LYS 33 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 3jw0 n LYS 33 Cb 0.14 -0.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.77 3jw0 n LYS 33 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3jw0 n GLU 34 N -0.78 2.18 -1.04 1.97 -0.58 -0.31 -5.04 120.64 117.04 3jw0 n GLU 34 Ca 0.00 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3jw0 n GLU 34 Cb 0.00 -0.90 -0.00 0.00 -0.57 0.00 0.00 31.44 29.97 3jw0 n GLU 34 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3jw0 n GLY 35 N 2.25 0.40 3.60 0.62 0.00 0.17 -5.02 105.19 107.21 3jw0 n GLY 35 Ca 0.00 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 3jw0 n GLY 35 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jw0 s ILE 36 N -2.01 5.28 0.18 -0.61 1.01 -1.26 -5.04 121.20 118.75 3jw0 s ILE 36 Ca 0.00 0.29 -0.33 0.00 0.00 0.00 0.00 60.65 60.61 3jw0 s ILE 36 Cb 0.00 -3.58 -0.14 0.00 0.01 0.00 0.00 42.46 38.76 3jw0 s ILE 36 CO 0.00 0.23 1.50 -2.65 0.00 0.00 0.00 174.94 174.03 3jw0 n PRO 37 N 5.05 2.04 0.31 2.79 -0.02 -1.26 -4.35 135.00 139.56 3jw0 n PRO 37 Ca -0.12 0.73 0.12 0.00 -2.02 0.00 0.00 63.50 62.20 3jw0 n PRO 37 Cb 0.52 -2.45 0.58 0.00 -0.02 0.00 0.00 33.50 32.13 3jw0 n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3jw0 h PRO 38 N 5.25 0.00 -0.73 0.52 0.11 -1.95 -0.82 132.00 134.37 3jw0 h PRO 38 Ca -0.45 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 3jw0 h PRO 38 Cb 1.27 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.33 3jw0 h PRO 38 CO 0.84 0.00 0.10 -0.40 -0.21 0.00 0.00 178.00 178.33 3jw0 n ASP 39 N -2.83 4.60 0.00 -2.05 5.75 -1.26 -3.57 116.55 117.18 3jw0 n ASP 39 Ca -0.00 -2.85 0.00 0.00 -0.01 0.00 0.00 54.79 51.92 3jw0 n ASP 39 Cb 0.59 -0.67 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 3jw0 n ASP 39 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3jw0 n GLN 40 N 0.26 0.48 -4.56 0.11 6.02 -0.31 -4.97 117.38 114.40 3jw0 n GLN 40 Ca 0.27 -0.62 -0.32 0.00 -0.01 0.00 0.00 57.00 56.32 3jw0 n GLN 40 Cb 1.10 -0.59 -0.11 0.00 1.02 0.00 0.00 30.24 31.65 3jw0 n GLN 40 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3jw0 s GLN 41 N -0.17 2.36 -0.21 -1.09 -0.21 -1.23 -2.83 119.66 116.28 3jw0 s GLN 41 Ca 0.00 -0.82 -0.04 0.00 0.02 0.00 0.00 55.36 54.52 3jw0 s GLN 41 Cb 0.00 -2.37 0.08 0.00 1.00 0.00 0.00 33.01 31.72 3jw0 s GLN 41 CO 0.00 0.58 0.15 1.03 -2.12 0.00 0.00 175.29 174.93 3jw0 s ARG 42 N -1.39 0.15 -0.16 2.91 0.52 -0.98 -4.89 118.95 115.11 3jw0 s ARG 42 Ca 0.16 -0.09 -0.27 0.00 -0.52 0.00 0.00 55.73 55.01 3jw0 s ARG 42 Cb -0.11 -1.42 -0.01 0.00 0.52 0.00 0.00 34.95 33.93 3jw0 s ARG 42 CO 0.06 -0.76 0.90 -0.51 0.02 0.00 0.00 175.30 175.01 3jw0 s LEU 43 N 2.21 4.19 0.14 2.53 2.01 -1.26 -1.82 118.68 126.67 3jw0 s LEU 43 Ca 0.05 1.30 0.05 0.00 0.01 0.00 0.00 54.13 55.55 3jw0 s LEU 43 Cb -0.16 -3.36 -0.04 0.00 0.01 0.00 0.00 46.19 42.64 3jw0 s LEU 43 CO -0.17 -0.44 0.07 -0.63 1.01 0.00 0.00 176.35 176.19 3jw0 s ILE 44 N 2.20 4.25 -0.27 -0.59 -1.09 0.34 -1.50 121.20 124.54 3jw0 s ILE 44 Ca 0.42 -1.07 -0.10 0.00 -2.23 0.00 0.00 60.65 57.66 3jw0 s ILE 44 Cb -0.17 -3.11 0.11 0.00 -1.58 0.00 0.00 42.46 37.71 3jw0 s ILE 44 CO 0.13 -0.02 0.60 0.12 -1.23 0.00 0.00 174.94 174.55 3jw0 s PHE 45 N -1.59 -1.17 -1.43 3.97 5.36 -0.29 -1.21 117.98 121.62 3jw0 s PHE 45 Ca 0.29 2.11 -0.06 0.00 -0.96 0.00 0.00 56.93 58.31 3jw0 s PHE 45 Cb -0.11 0.66 0.03 0.00 -0.34 0.00 0.00 43.02 43.27 3jw0 s PHE 45 CO 0.21 -0.60 0.46 0.00 -1.46 0.00 0.00 175.22 173.84 3jw0 n ALA 46 N 5.20 -0.96 -1.01 11.12 0.00 -1.26 -1.01 120.51 132.59 3jw0 n ALA 46 Ca -0.13 0.19 -0.00 0.00 0.00 0.00 0.00 53.44 53.50 3jw0 n ALA 46 Cb 0.51 -3.15 -0.00 0.00 0.00 0.00 0.00 19.45 16.81 3jw0 n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jw0 n GLY 47 N -1.30 0.40 3.33 0.00 0.00 -1.26 -5.01 105.19 101.35 3jw0 n GLY 47 Ca -0.09 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 3jw0 n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3jw0 s LYS 48 N -0.63 2.75 -0.56 1.61 2.20 -0.18 -5.08 119.74 119.86 3jw0 s LYS 48 Ca 0.00 -0.81 -0.27 0.00 -0.36 0.00 0.00 55.97 54.53 3jw0 s LYS 48 Cb 0.00 -2.32 0.03 0.00 -1.51 0.00 0.00 37.83 34.03 3jw0 s LYS 48 CO 0.00 0.38 1.12 1.14 -0.36 0.00 0.00 175.35 177.63 3jw0 s GLN 49 N -0.14 3.49 1.09 4.03 -2.07 -1.26 -1.14 119.66 123.66 3jw0 s GLN 49 Ca -0.03 0.15 -0.14 0.00 -1.82 0.00 0.00 55.36 53.53 3jw0 s GLN 49 Cb -0.14 -4.01 0.19 0.00 -1.09 0.00 0.00 33.01 27.97 3jw0 s GLN 49 CO 0.04 -1.59 0.73 1.28 -1.32 0.00 0.00 175.29 174.44 3jw0 n LEU 50 N 8.09 -0.64 -4.30 2.60 4.77 -0.56 -5.02 117.00 121.94 3jw0 n LEU 50 Ca 0.07 0.01 -0.19 0.00 -0.03 0.00 0.00 56.01 55.87 3jw0 n LEU 50 Cb 0.49 -1.22 -0.11 0.00 -2.33 0.00 0.00 43.42 40.25 3jw0 n LEU 50 CO 0.69 -3.08 -0.45 -1.61 -1.33 0.00 0.00 177.39 171.61 3jw0 s GLU 51 N -4.13 1.19 0.18 3.23 2.02 -1.26 -4.77 118.70 115.16 3jw0 s GLU 51 Ca 0.64 -1.43 -0.13 0.00 0.02 0.00 0.00 54.97 54.07 3jw0 s GLU 51 Cb -0.21 -1.04 0.12 0.00 0.10 0.00 0.00 34.13 33.09 3jw0 s GLU 51 CO 0.64 0.19 1.80 -0.44 0.02 0.00 0.00 175.26 177.47 3jw0 h ASP 52 N 3.02 0.44 -0.51 -0.19 5.19 -1.96 -3.26 116.42 119.15 3jw0 h ASP 52 Ca -0.39 0.02 -0.09 0.00 -0.62 0.00 0.00 57.03 55.94 3jw0 h ASP 52 Cb 1.21 -0.07 -0.02 0.00 0.18 0.00 0.00 39.33 40.63 3jw0 h ASP 52 CO 0.56 0.31 -0.02 1.23 -3.12 0.00 0.00 179.24 178.20 3jw0 h GLY 53 N 0.56 0.99 -1.01 2.75 0.00 -1.97 -3.04 103.07 101.35 3jw0 h GLY 53 Ca 0.21 -0.75 -0.42 0.00 0.00 0.00 0.00 47.33 46.38 3jw0 h GLY 53 CO -0.12 0.69 0.00 0.50 0.00 0.00 0.00 176.54 177.60 3jw0 s ARG 54 N -4.97 -1.42 0.41 4.80 1.81 -1.23 -4.79 118.95 113.56 3jw0 s ARG 54 Ca -0.12 0.51 0.07 0.00 -1.72 0.00 0.00 55.73 54.47 3jw0 s ARG 54 Cb 0.12 -1.52 -0.06 0.00 -0.45 0.00 0.00 34.95 33.03 3jw0 s ARG 54 CO 0.83 -3.97 0.11 0.95 -0.68 0.00 0.00 175.30 172.54 3jw0 s THR 55 N -2.51 2.19 -2.00 0.02 -4.23 -1.26 -1.82 115.64 106.03 3jw0 s THR 55 Ca 0.68 -1.82 0.08 0.00 -1.18 0.00 0.00 61.69 59.46 3jw0 s THR 55 Cb -0.20 -3.00 0.24 0.00 1.34 0.00 0.00 72.50 70.88 3jw0 s THR 55 CO 0.62 -0.00 0.96 0.18 -0.54 0.00 0.00 174.62 175.84 3jw0 n LEU 56 N -1.13 0.00 -0.01 4.79 4.77 -1.11 -1.75 117.00 122.57 3jw0 n LEU 56 Ca -0.03 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.98 3jw0 n LEU 56 Cb 0.65 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.69 3jw0 n LEU 56 CO 0.47 0.00 -0.61 -1.54 -1.33 0.00 0.00 177.39 174.38 3jw0 n SER 57 N -0.75 3.34 0.03 -1.43 3.41 -1.18 -1.31 113.62 115.74 3jw0 n SER 57 Ca 0.06 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.79 3jw0 n SER 57 Cb 0.03 1.21 0.49 0.00 -0.26 0.00 0.00 64.21 65.68 3jw0 n SER 57 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3jw0 n ASP 58 N -1.84 0.18 -0.16 4.04 9.92 -0.72 -2.61 116.55 125.37 3jw0 n ASP 58 Ca -0.03 0.53 0.03 0.00 -0.53 0.00 0.00 54.79 54.78 3jw0 n ASP 58 Cb 0.28 -0.57 0.01 0.00 -0.64 0.00 0.00 41.12 40.20 3jw0 n ASP 58 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3jw0 n TYR 59 N -1.68 0.00 -2.65 1.24 4.01 -1.22 -4.95 117.16 111.91 3jw0 n TYR 59 Ca 0.05 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.67 3jw0 n TYR 59 Cb 0.30 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.35 3jw0 n TYR 59 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3jw0 n ASN 60 N -0.13 -3.98 -4.46 7.72 3.02 -1.07 -4.97 115.26 111.39 3jw0 n ASN 60 Ca 0.03 -0.15 -0.43 0.00 -0.03 0.00 0.00 54.58 54.00 3jw0 n ASN 60 Cb 0.13 -2.88 -0.03 0.00 -0.61 0.00 0.00 39.78 36.39 3jw0 n ASN 60 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3jw0 s ILE 61 N -2.86 4.45 0.00 2.41 1.01 -0.42 -5.01 121.20 120.78 3jw0 s ILE 61 Ca 0.16 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.96 3jw0 s ILE 61 Cb -0.07 -4.74 0.00 0.00 0.01 0.00 0.00 42.46 37.66 3jw0 s ILE 61 CO 0.19 -1.50 0.00 0.00 0.00 0.00 0.00 174.94 173.63 3jw0 n GLN 62 N 7.34 0.66 -1.90 2.79 6.02 -1.26 -4.65 117.38 126.37 3jw0 n GLN 62 Ca 0.09 0.00 -0.35 0.00 -0.01 0.00 0.00 57.00 56.73 3jw0 n GLN 62 Cb 0.47 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.77 3jw0 n GLN 62 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3jw0 s LYS 63 N -1.36 2.87 0.00 -1.09 2.47 -1.26 -3.17 119.74 118.20 3jw0 s LYS 63 Ca 0.00 1.65 0.00 0.00 -1.56 0.00 0.00 55.97 56.06 3jw0 s LYS 63 Cb 0.00 -1.94 0.00 0.00 -1.46 0.00 0.00 37.83 34.43 3jw0 s LYS 63 CO 0.00 -1.24 0.00 -1.91 0.16 0.00 0.00 175.35 172.36 3jw0 n GLU 64 N -1.93 0.00 -0.62 4.03 4.07 -0.51 -4.98 120.64 120.70 3jw0 n GLU 64 Ca 0.12 0.00 -0.30 0.00 -0.06 0.00 0.00 57.16 56.92 3jw0 n GLU 64 Cb 0.51 -2.99 0.20 0.00 -0.06 0.00 0.00 31.44 29.09 3jw0 n GLU 64 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 3jw0 n SER 65 N 0.00 -1.19 -3.69 4.31 7.64 -1.19 -4.74 113.62 114.76 3jw0 n SER 65 Ca 0.00 0.11 -0.28 0.00 1.01 0.00 0.00 58.87 59.71 3jw0 n SER 65 Cb 0.00 -1.28 -0.16 0.00 -1.01 0.00 0.00 64.21 61.76 3jw0 n SER 65 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3jw0 s THR 66 N -2.46 0.38 0.47 0.44 2.01 -1.26 -1.85 115.64 113.38 3jw0 s THR 66 Ca 0.64 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 61.92 3jw0 s THR 66 Cb -0.22 -1.02 -0.06 0.00 0.01 0.00 0.00 72.50 71.21 3jw0 s THR 66 CO 0.63 -0.34 0.85 -0.76 -0.69 0.00 0.00 174.62 174.32 3jw0 s LEU 67 N 1.91 3.68 -0.19 4.42 1.02 -0.41 -4.88 118.68 124.23 3jw0 s LEU 67 Ca 0.02 1.24 -0.03 0.00 0.02 0.00 0.00 54.13 55.38 3jw0 s LEU 67 Cb -0.17 -4.16 -0.01 0.00 0.02 0.00 0.00 46.19 41.87 3jw0 s LEU 67 CO -0.14 -0.52 -0.08 -1.00 0.02 0.00 0.00 176.35 174.63 3jw0 s HIS 68 N -2.58 2.91 -0.62 0.29 3.76 -0.35 -1.29 115.29 117.42 3jw0 s HIS 68 Ca 0.53 -0.88 -0.21 0.00 -0.15 0.00 0.00 55.06 54.35 3jw0 s HIS 68 Cb -0.10 -2.02 0.08 0.00 1.11 0.00 0.00 32.58 31.65 3jw0 s HIS 68 CO 0.36 -0.45 0.84 -1.17 -0.85 0.00 0.00 174.74 173.47 3jw0 s LEU 69 N 1.11 4.83 -0.33 0.89 2.96 -0.74 -0.50 118.68 126.89 3jw0 s LEU 69 Ca 0.01 -1.15 -0.10 0.00 -0.22 0.00 0.00 54.13 52.67 3jw0 s LEU 69 Cb -0.15 -2.39 -0.00 0.00 0.50 0.00 0.00 46.19 44.16 3jw0 s LEU 69 CO -0.01 -1.27 0.17 -0.69 -1.32 0.00 0.00 176.35 173.23 3jw0 s VAL 70 N 3.41 4.69 -0.09 1.68 1.01 -0.76 -4.49 120.40 125.85 3jw0 s VAL 70 Ca 0.18 -0.47 -0.28 0.00 0.00 0.00 0.00 61.98 61.40 3jw0 s VAL 70 Cb -0.20 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 3jw0 s VAL 70 CO 0.09 -0.00 0.93 -0.76 0.00 0.00 0.00 175.10 175.36 3jw0 s LEU 71 N 1.62 4.27 -1.04 3.92 1.43 -1.26 -2.33 118.68 125.28 3jw0 s LEU 71 Ca 0.04 1.45 -0.18 0.00 -1.03 0.00 0.00 54.13 54.41 3jw0 s LEU 71 Cb -0.17 -3.44 0.13 0.00 0.03 0.00 0.00 46.19 42.73 3jw0 s LEU 71 CO 0.07 -0.36 1.29 -0.60 0.23 0.00 0.00 176.35 176.98 3jw0 s ARG 72 N 1.69 3.76 -0.26 1.70 6.06 -1.13 -4.75 118.95 126.02 3jw0 s ARG 72 Ca 0.46 -1.92 -0.02 0.00 -2.50 0.00 0.00 55.73 51.75 3jw0 s ARG 72 Cb -0.18 -5.05 -0.15 0.00 0.06 0.00 0.00 34.95 29.62 3jw0 s ARG 72 CO 0.19 -1.86 -0.26 1.28 -2.50 0.00 0.00 175.30 172.15 3jw0 n LEU 73 N 6.72 2.71 -4.73 -0.88 4.77 -1.26 -4.84 117.00 119.48 3jw0 n LEU 73 Ca 0.30 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.85 3jw0 n LEU 73 Cb 0.47 -0.87 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 3jw0 n LEU 73 CO 0.57 0.84 1.29 0.54 -1.33 0.00 0.00 177.39 179.30 3jw0 n ARG 74 N -3.51 2.70 -1.69 3.23 1.74 -1.26 -4.96 116.66 112.91 3jw0 n ARG 74 Ca -0.48 0.97 -0.30 0.00 -0.77 0.00 0.00 57.85 57.27 3jw0 n ARG 74 Cb 0.96 -2.77 0.18 0.00 -1.02 0.00 0.00 32.46 29.80 3jw0 n ARG 74 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3jw0 s GLY 75 N 0.77 1.68 0.00 -0.13 0.00 -1.26 -5.26 107.32 103.13 3jw0 s GLY 75 Ca 0.69 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 44.45 3jw0 s GLY 75 CO 0.42 -0.25 0.23 0.61 0.00 0.00 0.00 173.10 174.11