#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 3.06 0.48 2.12 0.74 -1.26 -1.73 119.66 123.06 3jw0 s GLN 2 Ca 0.00 -0.87 0.02 0.00 0.05 0.00 0.00 55.36 54.56 3jw0 s GLN 2 Cb 0.00 -2.31 -0.01 0.00 1.10 0.00 0.00 33.01 31.79 3jw0 s GLN 2 CO 0.00 0.18 0.06 0.96 -0.55 0.00 0.00 175.29 175.94 3jw0 s ILE 3 N 0.34 0.88 -0.00 -2.34 -4.36 -1.18 0.18 121.20 114.72 3jw0 s ILE 3 Ca -0.19 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.24 3jw0 s ILE 3 Cb -0.18 -2.18 -0.01 0.00 1.25 0.00 0.00 42.46 41.34 3jw0 s ILE 3 CO 0.09 0.00 -0.11 -0.36 0.24 0.00 0.00 174.94 174.80 3jw0 s PHE 4 N -3.01 0.97 -0.31 1.37 0.08 -0.86 -2.78 117.98 113.45 3jw0 s PHE 4 Ca 0.11 -0.21 0.01 0.00 0.12 0.00 0.00 56.93 56.96 3jw0 s PHE 4 Cb 0.01 -0.62 0.09 0.00 -0.57 0.00 0.00 43.02 41.94 3jw0 s PHE 4 CO 0.07 -0.01 0.06 0.08 -0.10 0.00 0.00 175.22 175.32 3jw0 s VAL 5 N -0.35 1.42 -0.12 -0.44 1.01 -0.99 -1.35 120.40 119.58 3jw0 s VAL 5 Ca 0.03 -1.66 -0.25 0.00 0.00 0.00 0.00 61.98 60.11 3jw0 s VAL 5 Cb -0.05 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.31 3jw0 s VAL 5 CO -0.00 -0.56 0.79 -0.75 0.00 0.00 0.00 175.10 174.58 3jw0 s LYS 6 N 1.36 4.37 0.38 2.72 2.20 -1.16 -0.94 119.74 128.67 3jw0 s LYS 6 Ca 0.08 0.98 -0.05 0.00 -0.36 0.00 0.00 55.97 56.62 3jw0 s LYS 6 Cb -0.18 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.58 3jw0 s LYS 6 CO -0.16 -0.15 0.67 0.95 -0.36 0.00 0.00 175.35 176.29 3jw0 s THR 7 N 1.52 4.96 -0.94 3.43 -4.23 -0.91 -1.01 115.64 118.45 3jw0 s THR 7 Ca 0.39 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.02 3jw0 s THR 7 Cb -0.17 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.87 3jw0 s THR 7 CO 0.16 -0.56 0.86 0.18 -0.54 0.00 0.00 174.62 174.72 3jw0 n LEU 8 N -1.56 0.00 0.00 4.79 4.77 -1.26 -1.55 117.00 122.20 3jw0 n LEU 8 Ca -0.01 0.37 0.12 0.00 -0.03 0.00 0.00 56.01 56.47 3jw0 n LEU 8 Cb 0.55 -0.37 0.24 0.00 -2.33 0.00 0.00 43.42 41.51 3jw0 n LEU 8 CO 0.50 -0.37 0.44 0.41 -1.33 0.00 0.00 177.39 177.04 3jw0 n THR 9 N -1.36 0.00 0.00 -5.08 -1.04 -1.26 -4.92 114.28 100.62 3jw0 n THR 9 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3jw0 n THR 9 Cb 0.07 0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.84 3jw0 n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3jw0 n GLY 10 N 1.50 2.57 3.56 3.41 0.00 -0.59 -5.08 105.19 110.55 3jw0 n GLY 10 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 3jw0 n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3jw0 s LYS 11 N -0.59 -0.60 -0.04 1.61 2.20 -1.26 -4.84 119.74 116.24 3jw0 s LYS 11 Ca 0.00 0.58 -0.15 0.00 -0.36 0.00 0.00 55.97 56.05 3jw0 s LYS 11 Cb 0.00 -1.61 0.03 0.00 -1.51 0.00 0.00 37.83 34.73 3jw0 s LYS 11 CO 0.00 -3.44 0.32 0.99 -0.36 0.00 0.00 175.35 172.86 3jw0 s THR 12 N -2.69 0.05 -0.40 3.43 2.01 -1.26 -2.13 115.64 114.64 3jw0 s THR 12 Ca 0.67 -0.38 0.04 0.00 0.31 0.00 0.00 61.69 62.33 3jw0 s THR 12 Cb -0.21 -0.60 0.11 0.00 0.01 0.00 0.00 72.50 71.81 3jw0 s THR 12 CO 0.61 -0.21 0.12 -0.63 -0.69 0.00 0.00 174.62 173.82 3jw0 s ILE 13 N -1.05 2.34 -0.08 1.82 1.01 -0.11 -4.93 121.20 120.20 3jw0 s ILE 13 Ca -0.11 -2.65 -0.30 0.00 0.00 0.00 0.00 60.65 57.59 3jw0 s ILE 13 Cb -0.05 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.71 3jw0 s ILE 13 CO 0.04 -0.67 1.09 0.42 0.00 0.00 0.00 174.94 175.82 3jw0 s THR 14 N 0.52 4.55 0.43 2.92 -4.23 -1.26 -2.36 115.64 116.22 3jw0 s THR 14 Ca 0.13 1.85 0.06 0.00 -1.18 0.00 0.00 61.69 62.54 3jw0 s THR 14 Cb -0.21 -4.19 -0.06 0.00 1.34 0.00 0.00 72.50 69.38 3jw0 s THR 14 CO -0.06 0.00 0.01 -0.76 -0.54 0.00 0.00 174.62 173.28 3jw0 s LEU 15 N 2.07 2.73 -0.27 4.79 1.43 -1.12 -5.01 118.68 123.30 3jw0 s LEU 15 Ca 0.52 -1.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.17 3jw0 s LEU 15 Cb -0.21 -0.85 0.04 0.00 0.03 0.00 0.00 46.19 45.20 3jw0 s LEU 15 CO 0.20 -0.55 -0.05 -1.61 0.23 0.00 0.00 176.35 174.57 3jw0 s GLU 16 N -3.75 2.53 0.33 1.70 0.41 -1.26 -3.08 118.70 115.58 3jw0 s GLU 16 Ca 0.28 -1.18 0.04 0.00 -0.41 0.00 0.00 54.97 53.69 3jw0 s GLU 16 Cb 0.08 -3.05 -0.04 0.00 -1.78 0.00 0.00 34.13 29.35 3jw0 s GLU 16 CO 0.14 -0.53 0.15 0.14 -0.49 0.00 0.00 175.26 174.67 3jw0 s VAL 17 N 1.24 0.44 0.12 2.63 -7.23 -0.71 -5.03 120.40 111.86 3jw0 s VAL 17 Ca -0.04 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.22 3jw0 s VAL 17 Cb -0.19 -2.49 -0.04 0.00 0.56 0.00 0.00 36.38 34.22 3jw0 s VAL 17 CO -0.03 0.00 -0.21 -1.61 -0.31 0.00 0.00 175.10 172.93 3jw0 s GLU 18 N -3.78 1.22 0.10 4.82 0.41 -1.26 -3.01 118.70 117.19 3jw0 s GLU 18 Ca 0.33 -1.26 0.06 0.00 -0.41 0.00 0.00 54.97 53.69 3jw0 s GLU 18 Cb 0.05 -1.48 0.31 0.00 -1.78 0.00 0.00 34.13 31.23 3jw0 s GLU 18 CO 0.17 0.33 1.13 -2.30 -0.49 0.00 0.00 175.26 174.11 3jw0 n PRO 19 N 0.85 0.04 0.00 0.39 -0.02 -1.26 -2.48 135.00 132.52 3jw0 n PRO 19 Ca -0.18 0.50 0.10 0.00 -2.02 0.00 0.00 63.50 61.91 3jw0 n PRO 19 Cb 0.54 -1.69 0.02 0.00 -0.02 0.00 0.00 33.50 32.36 3jw0 n PRO 19 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3jw0 n SER 20 N -1.67 2.20 -4.77 2.55 3.41 -1.26 -1.25 113.62 112.83 3jw0 n SER 20 Ca -0.00 -1.60 -0.40 0.00 -0.26 0.00 0.00 58.87 56.60 3jw0 n SER 20 Cb 0.07 0.34 -0.00 0.00 -0.26 0.00 0.00 64.21 64.35 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 -2.18 6.32 -0.01 4.04 1.01 -1.03 -4.71 116.67 120.10 3jw0 s ASP 21 Ca 0.20 2.82 -0.24 0.00 0.71 0.00 0.00 52.55 56.03 3jw0 s ASP 21 Cb 0.17 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 3jw0 s ASP 21 CO 0.45 -0.86 0.74 0.42 0.21 0.00 0.00 175.17 176.14 3jw0 s THR 22 N -1.19 4.90 0.52 -1.27 -4.23 -1.25 -1.63 115.64 111.48 3jw0 s THR 22 Ca 0.55 1.56 0.42 0.00 -1.18 0.00 0.00 61.69 63.04 3jw0 s THR 22 Cb -0.42 -4.09 0.64 0.00 1.34 0.00 0.00 72.50 69.97 3jw0 s THR 22 CO 0.55 0.30 1.64 0.40 -0.54 0.00 0.00 174.62 176.97 3jw0 h ILE 23 N 4.46 0.13 0.00 2.99 1.08 -1.63 1.62 117.51 126.17 3jw0 h ILE 23 Ca -0.42 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.04 3jw0 h ILE 23 Cb 1.20 0.10 0.00 0.00 -3.07 0.00 0.00 36.82 35.05 3jw0 h ILE 23 CO 0.73 0.00 0.00 -0.08 -0.69 0.00 0.00 178.15 178.12 3jw0 h GLU 24 N 0.03 0.00 0.00 2.37 4.81 -1.80 -1.74 114.58 118.24 3jw0 h GLU 24 Ca 0.82 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.96 3jw0 h GLU 24 Cb 3.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 32.49 3jw0 h GLU 24 CO -0.11 0.00 -1.81 0.09 -0.73 0.00 0.00 179.01 176.45 3jw0 n ASN 25 N -3.07 0.28 0.26 1.04 3.02 0.55 -3.65 115.26 113.68 3jw0 n ASN 25 Ca -0.03 0.11 0.11 0.00 -0.03 0.00 0.00 54.58 54.75 3jw0 n ASN 25 Cb 0.07 1.28 0.71 0.00 -0.61 0.00 0.00 39.78 41.23 3jw0 n ASN 25 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3jw0 h VAL 26 N 0.00 0.72 0.24 2.41 2.07 -1.28 -2.18 116.25 118.23 3jw0 h VAL 26 Ca -0.12 -0.41 -0.33 0.00 0.82 0.00 0.00 66.70 66.65 3jw0 h VAL 26 Cb 1.31 1.25 0.03 0.00 -1.52 0.00 0.00 31.29 32.36 3jw0 h VAL 26 CO 0.01 0.10 -1.49 0.11 0.02 0.00 0.00 177.57 176.32 3jw0 h LYS 27 N 0.00 0.50 -0.53 1.57 1.57 -1.67 -2.48 116.57 115.53 3jw0 h LYS 27 Ca -0.00 -0.86 0.07 0.00 -1.87 0.00 0.00 60.65 57.99 3jw0 h LYS 27 Cb 0.24 0.32 -0.03 0.00 0.08 0.00 0.00 32.23 32.84 3jw0 h LYS 27 CO 0.01 1.41 0.36 0.00 -0.57 0.00 0.00 179.45 180.66 3jw0 h ALA 28 N 0.19 1.94 0.23 3.86 0.00 -1.47 0.34 119.26 124.35 3jw0 h ALA 28 Ca -0.26 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.30 3jw0 h ALA 28 Cb 2.15 -0.10 0.03 0.00 0.00 0.00 0.00 17.79 19.87 3jw0 h ALA 28 CO 0.26 -0.04 -1.53 -0.22 0.00 0.00 0.00 179.25 177.72 3jw0 h LYS 29 N 0.43 0.48 0.00 0.00 3.64 -1.53 -3.07 116.57 116.52 3jw0 h LYS 29 Ca 0.24 -0.82 0.00 0.00 -1.27 0.00 0.00 60.65 58.79 3jw0 h LYS 29 Cb 0.38 0.31 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 3jw0 h LYS 29 CO -0.06 1.39 0.00 0.82 -2.27 0.00 0.00 179.45 179.33 3jw0 h ILE 30 N 0.13 0.00 0.00 2.00 2.04 -0.93 -2.14 117.51 118.61 3jw0 h ILE 30 Ca -0.27 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.27 3jw0 h ILE 30 Cb 2.14 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 39.43 3jw0 h ILE 30 CO 0.25 0.00 0.00 1.67 0.00 0.00 0.00 178.15 180.07 3jw0 n GLN 31 N -2.79 0.93 0.00 2.37 7.27 0.11 -1.21 117.38 124.06 3jw0 n GLN 31 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3jw0 n GLN 31 Cb 0.23 -1.36 0.00 0.00 2.41 0.00 0.00 30.24 31.52 3jw0 n GLN 31 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3jw0 n ASP 32 N -0.86 4.64 0.14 1.69 8.00 -0.81 -2.88 116.55 126.47 3jw0 n ASP 32 Ca 0.16 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.77 3jw0 n ASP 32 Cb 0.07 0.62 0.05 0.00 -0.02 0.00 0.00 41.12 41.85 3jw0 n ASP 32 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 3jw0 h LYS 33 N 0.00 0.00 0.00 -1.24 1.57 -1.51 -3.39 116.57 112.00 3jw0 h LYS 33 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3jw0 h LYS 33 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3jw0 h LYS 33 CO 0.00 0.03 -0.53 0.39 -0.57 0.00 0.00 179.45 178.76 3jw0 n GLU 34 N -2.84 2.49 -2.95 3.15 -0.58 -0.35 -5.06 120.64 114.49 3jw0 n GLU 34 Ca 0.01 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.65 3jw0 n GLU 34 Cb 0.56 -0.77 0.04 0.00 -0.57 0.00 0.00 31.44 30.70 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 1.57 0.28 3.23 0.62 0.00 -1.14 -5.00 105.19 104.75 3jw0 n GLY 35 Ca 0.00 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.14 3.34 0.32 -0.61 1.01 -1.26 -4.99 121.20 115.87 3jw0 s ILE 36 Ca 0.24 -1.21 -0.27 0.00 0.00 0.00 0.00 60.65 59.41 3jw0 s ILE 36 Cb -0.11 -2.88 -0.13 0.00 0.01 0.00 0.00 42.46 39.35 3jw0 s ILE 36 CO 0.32 -0.09 0.96 -2.65 0.00 0.00 0.00 174.94 173.48 3jw0 n PRO 37 N 4.71 1.27 -0.34 2.79 -0.02 -1.26 -4.45 135.00 137.71 3jw0 n PRO 37 Ca -0.13 0.45 0.07 0.00 -2.02 0.00 0.00 63.50 61.86 3jw0 n PRO 37 Cb 0.44 -1.83 0.25 0.00 -0.02 0.00 0.00 33.50 32.34 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 1.80 0.95 0.00 0.52 0.11 -1.96 -2.70 132.00 130.72 3jw0 h PRO 38 Ca -0.40 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3jw0 h PRO 38 Cb 1.35 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3jw0 h PRO 38 CO 0.59 0.63 0.00 -0.40 -0.21 0.00 0.00 178.00 178.61 3jw0 n ASP 39 N -4.56 0.00 -0.10 -2.05 5.75 -1.26 -0.99 116.55 113.33 3jw0 n ASP 39 Ca 0.17 0.04 0.10 0.00 -0.01 0.00 0.00 54.79 55.09 3jw0 n ASP 39 Cb 0.31 -0.21 0.14 0.00 -1.03 0.00 0.00 41.12 40.34 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 -1.21 1.37 -4.41 0.11 6.02 -1.02 -4.95 117.38 113.30 3jw0 n GLN 40 Ca 0.05 -2.58 -0.25 0.00 -0.01 0.00 0.00 57.00 54.21 3jw0 n GLN 40 Cb 0.06 -1.51 -0.10 0.00 1.02 0.00 0.00 30.24 29.71 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 -2.85 1.73 -0.24 -1.09 -0.21 -0.16 -2.04 119.66 114.79 3jw0 s GLN 41 Ca 0.32 -1.56 -0.06 0.00 0.02 0.00 0.00 55.36 54.07 3jw0 s GLN 41 Cb 0.28 -1.90 0.12 0.00 1.00 0.00 0.00 33.01 32.51 3jw0 s GLN 41 CO 0.03 0.38 0.49 1.03 -2.12 0.00 0.00 175.29 175.10 3jw0 s ARG 42 N -3.09 0.42 -0.45 2.91 1.81 -0.66 -4.79 118.95 115.10 3jw0 s ARG 42 Ca 0.26 1.05 -0.15 0.00 -1.72 0.00 0.00 55.73 55.17 3jw0 s ARG 42 Cb -0.07 0.35 0.06 0.00 -0.45 0.00 0.00 34.95 34.84 3jw0 s ARG 42 CO 0.13 -0.35 0.35 -0.51 -0.68 0.00 0.00 175.30 174.24 3jw0 s LEU 43 N 2.70 5.42 -0.19 2.53 1.02 -1.25 -0.11 118.68 128.81 3jw0 s LEU 43 Ca 0.03 -1.21 -0.21 0.00 0.02 0.00 0.00 54.13 52.76 3jw0 s LEU 43 Cb -0.13 -2.16 -0.03 0.00 0.02 0.00 0.00 46.19 43.89 3jw0 s LEU 43 CO -0.16 -0.58 0.61 -0.63 0.02 0.00 0.00 176.35 175.62 3jw0 s ILE 44 N 1.64 5.04 -0.36 -0.59 -1.09 -0.19 -3.06 121.20 122.59 3jw0 s ILE 44 Ca 0.04 1.17 0.03 0.00 -2.23 0.00 0.00 60.65 59.65 3jw0 s ILE 44 Cb -0.23 -3.93 0.10 0.00 -1.58 0.00 0.00 42.46 36.82 3jw0 s ILE 44 CO 0.07 0.14 0.09 0.12 -1.23 0.00 0.00 174.94 174.13 3jw0 s PHE 45 N 1.76 3.72 -0.58 3.97 5.36 0.10 -1.45 117.98 130.86 3jw0 s PHE 45 Ca 0.29 -2.89 -0.17 0.00 -0.96 0.00 0.00 56.93 53.19 3jw0 s PHE 45 Cb -0.16 -2.99 0.02 0.00 -0.34 0.00 0.00 43.02 39.56 3jw0 s PHE 45 CO 0.11 -0.95 0.64 0.00 -1.46 0.00 0.00 175.22 173.56 3jw0 n ALA 46 N 4.29 -2.64 -0.38 11.12 0.00 -1.26 -2.39 120.51 129.25 3jw0 n ALA 46 Ca 0.03 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3jw0 n ALA 46 Cb 0.42 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.68 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 -0.83 0.00 3.55 0.00 0.00 -1.26 -4.94 105.19 101.70 3jw0 n GLY 47 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.76 2.27 -0.53 1.61 2.20 -1.00 -5.08 119.74 118.44 3jw0 s LYS 48 Ca 0.00 -0.90 -0.20 0.00 -0.36 0.00 0.00 55.97 54.51 3jw0 s LYS 48 Cb 0.00 -2.34 0.06 0.00 -1.51 0.00 0.00 37.83 34.04 3jw0 s LYS 48 CO 0.00 0.55 0.70 1.14 -0.36 0.00 0.00 175.35 177.38 3jw0 s GLN 49 N -1.69 3.14 0.13 4.03 0.00 -1.26 -0.72 119.66 123.29 3jw0 s GLN 49 Ca 0.18 -0.84 -0.31 0.00 -0.00 0.00 0.00 55.36 54.38 3jw0 s GLN 49 Cb -0.11 -4.12 -0.08 0.00 0.00 0.00 0.00 33.01 28.70 3jw0 s GLN 49 CO 0.09 -1.33 1.40 -0.51 0.00 0.00 0.00 175.29 174.93 3jw0 s LEU 50 N 2.91 4.37 0.47 2.60 1.43 -1.17 -5.01 118.68 124.29 3jw0 s LEU 50 Ca 0.17 2.36 -0.10 0.00 -1.03 0.00 0.00 54.13 55.53 3jw0 s LEU 50 Cb -0.19 -3.59 -0.06 0.00 0.03 0.00 0.00 46.19 42.39 3jw0 s LEU 50 CO 0.12 -0.65 0.85 -1.61 0.23 0.00 0.00 176.35 175.28 3jw0 s GLU 51 N 0.96 3.73 0.00 1.70 2.02 -1.26 -4.73 118.70 121.11 3jw0 s GLU 51 Ca 0.64 0.53 0.30 0.00 0.02 0.00 0.00 54.97 56.46 3jw0 s GLU 51 Cb -0.37 -2.30 1.48 0.00 0.10 0.00 0.00 34.13 33.03 3jw0 s GLU 51 CO 0.31 -0.19 2.02 -0.25 0.02 0.00 0.00 175.26 177.17 3jw0 n ASP 52 N -1.77 0.10 -1.65 -0.19 9.92 -1.26 -3.02 116.55 118.69 3jw0 n ASP 52 Ca 0.03 -0.26 0.08 0.00 -0.53 0.00 0.00 54.79 54.11 3jw0 n ASP 52 Cb 0.54 -0.23 0.36 0.00 -0.64 0.00 0.00 41.12 41.16 3jw0 n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3jw0 n GLY 53 N 1.27 2.71 0.43 0.44 0.00 -1.26 -3.37 105.19 105.41 3jw0 n GLY 53 Ca 0.15 -0.84 -0.04 0.00 0.00 0.00 0.00 46.02 45.29 3jw0 n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3jw0 n ARG 54 N 0.97 1.78 -4.42 1.61 5.12 -1.17 -5.02 116.66 115.53 3jw0 n ARG 54 Ca 0.26 -0.43 -0.21 0.00 -1.93 0.00 0.00 57.85 55.53 3jw0 n ARG 54 Cb 0.95 0.12 -0.10 0.00 -1.16 0.00 0.00 32.46 32.28 3jw0 n ARG 54 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 3jw0 s THR 55 N -1.26 0.74 0.34 0.55 -4.23 -1.26 -2.30 115.64 108.23 3jw0 s THR 55 Ca 0.00 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.74 3jw0 s THR 55 Cb 0.00 -2.59 0.23 0.00 1.34 0.00 0.00 72.50 71.47 3jw0 s THR 55 CO 0.00 0.00 1.95 -0.07 -0.54 0.00 0.00 174.62 175.96 3jw0 h LEU 56 N 2.10 0.00 -0.42 4.79 3.38 -1.30 -2.60 115.31 121.26 3jw0 h LEU 56 Ca -0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3jw0 h LEU 56 Cb 1.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3jw0 h LEU 56 CO 0.61 0.21 -0.18 -1.54 0.09 0.00 0.00 178.44 177.63 3jw0 n SER 57 N -3.70 0.83 0.07 -0.43 3.41 -0.38 -0.23 113.62 113.18 3jw0 n SER 57 Ca -0.01 -0.81 -0.06 0.00 -0.26 0.00 0.00 58.87 57.73 3jw0 n SER 57 Cb 0.33 0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 64.22 3jw0 n SER 57 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3jw0 h ASP 58 N 1.02 0.00 -0.24 4.04 5.19 -1.73 -3.23 116.42 121.46 3jw0 h ASP 58 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 3jw0 h ASP 58 Cb 0.44 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.93 3jw0 h ASP 58 CO 0.00 0.93 -0.01 -1.22 -3.12 0.00 0.00 179.24 175.82 3jw0 n TYR 59 N -3.34 0.85 -1.63 4.55 4.01 -1.24 -4.95 117.16 115.41 3jw0 n TYR 59 Ca 0.00 -1.02 -0.16 0.00 -0.16 0.00 0.00 57.90 56.56 3jw0 n TYR 59 Cb 0.91 -0.33 -0.06 0.00 -0.31 0.00 0.00 39.34 39.55 3jw0 n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3jw0 n ASN 60 N -0.74 -4.39 -4.59 7.72 4.05 -1.21 -4.87 115.26 111.23 3jw0 n ASN 60 Ca 0.23 0.36 -0.42 0.00 0.45 0.00 0.00 54.58 55.19 3jw0 n ASN 60 Cb 0.89 -3.93 -0.03 0.00 1.23 0.00 0.00 39.78 37.94 3jw0 n ASN 60 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 3jw0 s ILE 61 N -2.45 3.23 0.00 -1.44 1.01 0.67 -4.91 121.20 117.32 3jw0 s ILE 61 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 60.65 60.88 3jw0 s ILE 61 Cb 0.00 -3.33 0.00 0.00 0.01 0.00 0.00 42.46 39.14 3jw0 s ILE 61 CO 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 174.94 174.71 3jw0 n GLN 62 N 8.65 3.63 -1.99 2.79 6.02 -1.26 -4.44 117.38 130.78 3jw0 n GLN 62 Ca 0.27 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.83 3jw0 n GLN 62 Cb 0.47 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.70 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 2.54 3.73 0.00 -1.09 2.47 -1.26 -2.66 119.74 123.46 3jw0 s LYS 63 Ca 0.00 1.82 0.00 0.00 -1.56 0.00 0.00 55.97 56.23 3jw0 s LYS 63 Cb 0.00 -4.10 0.00 0.00 -1.46 0.00 0.00 37.83 32.27 3jw0 s LYS 63 CO 0.00 -1.39 0.00 0.39 0.16 0.00 0.00 175.35 174.51 3jw0 n GLU 64 N 7.83 0.00 -2.35 4.03 4.71 0.49 -4.98 120.64 130.37 3jw0 n GLU 64 Ca 0.21 0.40 -0.42 0.00 -0.01 0.00 0.00 57.16 57.34 3jw0 n GLU 64 Cb 0.45 -3.67 -0.03 0.00 -1.01 0.00 0.00 31.44 27.18 3jw0 n GLU 64 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 3jw0 s SER 65 N -2.93 7.01 -0.48 1.62 0.01 -1.09 -4.71 113.70 113.13 3jw0 s SER 65 Ca 0.00 2.09 -0.17 0.00 1.31 0.00 0.00 55.95 59.18 3jw0 s SER 65 Cb 0.00 -2.58 0.07 0.00 0.21 0.00 0.00 66.02 63.72 3jw0 s SER 65 CO 0.00 -0.53 0.47 -0.89 0.41 0.00 0.00 173.24 172.70 3jw0 s THR 66 N 1.15 5.12 0.00 1.44 2.01 -1.26 -2.03 115.64 122.07 3jw0 s THR 66 Ca 0.60 -0.86 0.00 0.00 0.31 0.00 0.00 61.69 61.75 3jw0 s THR 66 Cb -0.31 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.02 3jw0 s THR 66 CO 0.29 -0.64 0.00 0.18 -0.69 0.00 0.00 174.62 173.76 3jw0 n LEU 67 N 5.53 0.00 -3.73 4.42 4.32 -0.45 -4.74 117.00 122.34 3jw0 n LEU 67 Ca -0.10 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.76 3jw0 n LEU 67 Cb 0.44 0.00 -0.14 0.00 -1.62 0.00 0.00 43.42 42.11 3jw0 n LEU 67 CO 0.49 -0.36 -0.16 -1.00 -1.22 0.00 0.00 177.39 175.15 3jw0 s HIS 68 N 0.24 -0.28 -0.57 -1.77 3.76 -0.53 -3.00 115.29 113.14 3jw0 s HIS 68 Ca 0.00 0.71 -0.24 0.00 -0.15 0.00 0.00 55.06 55.38 3jw0 s HIS 68 Cb 0.00 -0.01 0.04 0.00 1.11 0.00 0.00 32.58 33.73 3jw0 s HIS 68 CO 0.00 -0.23 0.96 -1.17 -0.85 0.00 0.00 174.74 173.45 3jw0 s LEU 69 N 1.37 4.10 -0.24 0.89 2.96 -0.18 -1.02 118.68 126.56 3jw0 s LEU 69 Ca -0.08 -0.41 -0.08 0.00 -0.22 0.00 0.00 54.13 53.35 3jw0 s LEU 69 Cb -0.11 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.75 3jw0 s LEU 69 CO -0.08 -1.27 0.08 -0.69 -1.32 0.00 0.00 176.35 173.08 3jw0 s VAL 70 N 4.02 4.56 -0.31 1.68 1.01 0.85 -4.10 120.40 128.10 3jw0 s VAL 70 Ca 0.30 -0.09 -0.28 0.00 0.00 0.00 0.00 61.98 61.91 3jw0 s VAL 70 Cb -0.13 -3.12 0.01 0.00 0.00 0.00 0.00 36.38 33.15 3jw0 s VAL 70 CO 0.18 0.35 1.00 -0.76 0.00 0.00 0.00 175.10 175.87 3jw0 s LEU 71 N 1.36 3.99 -1.12 3.92 1.43 -1.26 -1.66 118.68 125.34 3jw0 s LEU 71 Ca 0.05 0.99 -0.17 0.00 -1.03 0.00 0.00 54.13 53.97 3jw0 s LEU 71 Cb -0.15 -3.42 0.13 0.00 0.03 0.00 0.00 46.19 42.78 3jw0 s LEU 71 CO 0.04 -0.79 1.39 -0.13 0.23 0.00 0.00 176.35 177.09 3jw0 s ARG 72 N 3.42 3.87 -0.00 1.70 1.81 -0.87 -4.78 118.95 124.10 3jw0 s ARG 72 Ca 0.42 -2.08 0.03 0.00 -1.72 0.00 0.00 55.73 52.38 3jw0 s ARG 72 Cb -0.13 -5.12 -0.05 0.00 -0.45 0.00 0.00 34.95 29.20 3jw0 s ARG 72 CO 0.13 -1.89 0.09 1.28 -0.68 0.00 0.00 175.30 174.23 3jw0 n LEU 73 N 6.69 0.03 -4.74 2.53 4.77 -1.26 -4.74 117.00 120.29 3jw0 n LEU 73 Ca 0.34 -0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.83 3jw0 n LEU 73 Cb 0.46 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.51 3jw0 n LEU 73 CO 0.61 0.01 0.72 -0.60 -1.33 0.00 0.00 177.39 176.80 3jw0 s ARG 74 N -2.08 4.68 1.18 3.23 3.52 -1.26 -5.00 118.95 123.21 3jw0 s ARG 74 Ca -0.01 1.58 -0.16 0.00 -0.13 0.00 0.00 55.73 57.01 3jw0 s ARG 74 Cb 0.02 -3.31 0.27 0.00 -1.56 0.00 0.00 34.95 30.37 3jw0 s ARG 74 CO 0.14 0.21 1.05 0.20 -0.81 0.00 0.00 175.30 176.10 3jw0 s GLY 75 N -0.29 1.54 0.00 8.12 0.00 -1.26 -5.27 107.32 110.15 3jw0 s GLY 75 Ca 0.47 -0.58 0.06 0.00 0.00 0.00 0.00 44.72 44.67 3jw0 s GLY 75 CO 0.33 0.21 0.69 0.61 0.00 0.00 0.00 173.10 174.95