#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wn3 s ARG 2 N 0.00 0.28 -0.39 3.17 1.70 -1.26 -5.12 118.95 117.33 1wn3 s ARG 2 Ca 0.00 0.45 -0.08 0.00 -0.47 0.00 0.00 55.73 55.64 1wn3 s ARG 2 Cb 0.00 -0.67 0.07 0.00 -0.57 0.00 0.00 34.95 33.78 1wn3 s ARG 2 CO 0.00 -0.61 0.20 0.34 -1.08 0.00 0.00 175.30 174.15 1wn3 s ASP 3 N 2.47 5.50 0.18 -2.89 -1.08 -1.26 -5.00 116.67 114.59 1wn3 s ASP 3 Ca 0.10 -1.41 -0.18 0.00 -0.52 0.00 0.00 52.55 50.53 1wn3 s ASP 3 Cb -0.15 -1.93 0.12 0.00 -1.46 0.00 0.00 42.92 39.49 1wn3 s ASP 3 CO -0.14 -0.46 1.63 -0.65 0.52 0.00 0.00 175.17 176.07 1wn3 h PRO 4 N 8.31 -0.10 -0.66 4.34 0.11 -2.00 -0.89 132.00 141.12 1wn3 h PRO 4 Ca -0.22 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.89 1wn3 h PRO 4 Cb 1.08 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 1wn3 h PRO 4 CO 0.70 -0.07 0.37 0.35 -0.21 0.00 0.00 178.00 179.15 1wn3 h PHE 5 N -0.10 0.89 -0.69 0.65 3.57 -1.99 0.36 116.94 119.63 1wn3 h PHE 5 Ca 0.21 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1wn3 h PHE 5 Cb 0.43 -0.29 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 1wn3 h PHE 5 CO -0.45 0.62 0.39 0.52 -2.23 0.00 0.00 178.31 177.17 1wn3 h MET 6 N 0.90 0.95 -0.73 1.11 2.86 -1.80 -1.10 114.93 117.11 1wn3 h MET 6 Ca 0.23 -0.10 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 1wn3 h MET 6 Cb 0.01 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 1wn3 h MET 6 CO -0.04 0.69 0.39 0.93 1.06 0.00 0.00 176.91 179.94 1wn3 h GLU 7 N 0.94 1.03 -0.37 1.72 5.08 -0.65 0.34 114.58 122.68 1wn3 h GLU 7 Ca 0.24 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 1wn3 h GLU 7 Cb 0.01 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1wn3 h GLU 7 CO -0.04 0.78 -0.10 0.00 -1.00 0.00 0.00 179.01 178.64 1wn3 h ALA 8 N 1.20 1.14 -0.00 3.43 0.00 -0.48 -2.53 119.26 122.02 1wn3 h ALA 8 Ca 0.26 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wn3 h ALA 8 Cb 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1wn3 h ALA 8 CO -0.04 0.54 -0.11 1.28 0.00 0.00 0.00 179.25 180.93 1wn3 n LEU 9 N -4.19 0.35 -0.49 0.00 4.77 -0.46 -4.92 117.00 112.06 1wn3 n LEU 9 Ca 0.01 0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 56.04 1wn3 n LEU 9 Cb 0.33 -0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1wn3 n LEU 9 CO 0.41 0.07 -0.06 0.61 -1.33 0.00 0.00 177.39 177.09 1wn3 n GLY 10 N 1.31 0.46 3.84 -0.72 0.00 -0.47 -4.82 105.19 104.79 1wn3 n GLY 10 Ca 0.13 -0.75 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 1wn3 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wn3 s LEU 11 N -1.31 4.17 -0.02 0.99 1.43 -0.01 -4.60 118.68 119.33 1wn3 s LEU 11 Ca 0.00 1.30 0.02 0.00 -1.03 0.00 0.00 54.13 54.42 1wn3 s LEU 11 Cb 0.00 -3.88 0.01 0.00 0.03 0.00 0.00 46.19 42.35 1wn3 s LEU 11 CO 0.00 -0.11 -0.05 -1.59 0.23 0.00 0.00 176.35 174.82 1wn3 s LYS 12 N -2.62 0.59 -0.43 1.70 -2.85 0.56 -4.54 119.74 112.16 1wn3 s LYS 12 Ca 0.50 -0.17 -0.29 0.00 -1.00 0.00 0.00 55.97 55.01 1wn3 s LYS 12 Cb -0.12 -0.60 0.02 0.00 -2.06 0.00 0.00 37.83 35.07 1wn3 s LYS 12 CO 0.19 0.05 1.18 0.08 0.10 0.00 0.00 175.35 176.95 1wn3 s VAL 13 N 0.25 4.20 -0.05 1.79 1.01 -1.26 -0.84 120.40 125.50 1wn3 s VAL 13 Ca -0.03 1.27 -0.10 0.00 0.00 0.00 0.00 61.98 63.12 1wn3 s VAL 13 Cb -0.07 -4.48 -0.30 0.00 0.00 0.00 0.00 36.38 31.53 1wn3 s VAL 13 CO -0.00 -0.85 0.65 -0.07 0.00 0.00 0.00 175.10 174.83 1wn3 h LEU 14 N 11.17 0.58 -7.67 3.92 3.38 -1.33 -3.48 115.31 121.88 1wn3 h LEU 14 Ca -0.23 -0.90 -0.13 0.00 0.09 0.00 0.00 57.88 56.70 1wn3 h LEU 14 Cb 1.07 -0.19 -0.20 0.00 0.09 0.00 0.00 40.66 41.43 1wn3 h LEU 14 CO 1.10 1.77 -0.41 -2.28 0.09 0.00 0.00 178.44 178.70 1wn3 s HIS 15 N -2.58 -0.03 -0.10 1.13 5.04 -1.09 -4.99 115.29 112.66 1wn3 s HIS 15 Ca -0.16 -0.01 -0.05 0.00 -1.54 0.00 0.00 55.06 53.30 1wn3 s HIS 15 Cb 0.06 0.00 0.04 0.00 0.04 0.00 0.00 32.58 32.72 1wn3 s HIS 15 CO 0.85 -0.33 0.23 -1.17 -2.34 0.00 0.00 174.74 171.98 1wn3 s LEU 16 N -1.39 0.49 0.25 8.88 2.96 -1.26 -1.78 118.68 126.82 1wn3 s LEU 16 Ca -0.14 0.49 -0.15 0.00 -0.22 0.00 0.00 54.13 54.11 1wn3 s LEU 16 Cb -0.07 0.69 0.00 0.00 0.50 0.00 0.00 46.19 47.32 1wn3 s LEU 16 CO 0.02 -0.16 0.52 0.00 -1.32 0.00 0.00 176.35 175.42 1wn3 s ALA 17 N 1.19 -0.47 -0.13 5.97 0.00 -0.73 -5.02 121.76 122.58 1wn3 s ALA 17 Ca -0.09 -0.73 -0.33 0.00 0.00 0.00 0.00 51.96 50.81 1wn3 s ALA 17 Cb -0.10 1.01 -0.11 0.00 0.00 0.00 0.00 23.12 23.92 1wn3 s ALA 17 CO -0.08 -0.88 1.97 -2.30 0.00 0.00 0.00 175.76 174.47 1wn3 n PRO 18 N -0.39 2.04 -1.23 0.00 -0.02 -1.26 -1.40 135.00 132.73 1wn3 n PRO 18 Ca -0.03 0.71 -0.08 0.00 -2.02 0.00 0.00 63.50 62.09 1wn3 n PRO 18 Cb 0.61 -2.71 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 1wn3 n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wn3 n GLY 19 N 4.85 0.96 3.32 -1.23 0.00 -1.25 -4.99 105.19 106.85 1wn3 n GLY 19 Ca 0.26 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 1wn3 n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wn3 s GLU 20 N -2.42 0.91 -0.12 1.61 -1.05 -0.50 -2.55 118.70 114.59 1wn3 s GLU 20 Ca 0.00 -0.35 -0.29 0.00 -0.15 0.00 0.00 54.97 54.17 1wn3 s GLU 20 Cb 0.00 0.41 0.08 0.00 -0.44 0.00 0.00 34.13 34.17 1wn3 s GLU 20 CO 0.00 -0.31 0.73 0.00 0.95 0.00 0.00 175.26 176.63 1wn3 s ALA 21 N -2.42 -1.79 -0.12 -0.84 0.00 -1.12 -1.77 121.76 113.70 1wn3 s ALA 21 Ca -0.06 1.54 0.01 0.00 0.00 0.00 0.00 51.96 53.45 1wn3 s ALA 21 Cb -0.01 -0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.73 1wn3 s ALA 21 CO -0.02 -0.35 -0.12 0.08 0.00 0.00 0.00 175.76 175.35 1wn3 s VAL 22 N -0.75 1.32 -0.03 0.00 1.01 -0.73 -0.50 120.40 120.72 1wn3 s VAL 22 Ca -0.07 -0.50 0.07 0.00 0.00 0.00 0.00 61.98 61.48 1wn3 s VAL 22 Cb -0.01 -1.26 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1wn3 s VAL 22 CO 0.07 0.41 -0.24 -0.69 0.00 0.00 0.00 175.10 174.64 1wn3 s VAL 23 N 1.38 1.94 0.18 2.92 1.01 -0.52 -0.80 120.40 126.50 1wn3 s VAL 23 Ca 0.01 -1.04 0.07 0.00 0.00 0.00 0.00 61.98 61.02 1wn3 s VAL 23 Cb -0.13 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1wn3 s VAL 23 CO -0.06 0.55 -0.14 0.00 0.00 0.00 0.00 175.10 175.44 1wn3 s ALA 24 N -0.44 1.86 0.14 5.51 0.00 -0.02 -0.54 121.76 128.28 1wn3 s ALA 24 Ca 0.05 -1.56 -0.13 0.00 0.00 0.00 0.00 51.96 50.32 1wn3 s ALA 24 Cb -0.11 -0.08 0.05 0.00 0.00 0.00 0.00 23.12 22.98 1wn3 s ALA 24 CO 0.00 0.07 0.62 0.41 0.00 0.00 0.00 175.76 176.87 1wn3 n GLY 25 N -0.13 0.94 2.92 0.00 0.00 -0.48 -0.32 105.19 108.11 1wn3 n GLY 25 Ca -0.10 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 1wn3 n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wn3 s GLU 26 N -2.04 0.35 -0.24 1.61 2.12 -1.26 -1.21 118.70 118.03 1wn3 s GLU 26 Ca 0.14 -0.11 -0.29 0.00 0.36 0.00 0.00 54.97 55.07 1wn3 s GLU 26 Cb -0.02 -0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.00 1wn3 s GLU 26 CO 0.04 0.04 1.18 0.08 -0.54 0.00 0.00 175.26 176.06 1wn3 s VAL 27 N 0.13 4.40 0.42 3.70 1.01 0.11 -4.94 120.40 125.22 1wn3 s VAL 27 Ca -0.01 1.66 0.08 0.00 0.00 0.00 0.00 61.98 63.71 1wn3 s VAL 27 Cb -0.04 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1wn3 s VAL 27 CO -0.00 -0.28 0.43 -0.13 0.00 0.00 0.00 175.10 175.12 1wn3 s ARG 28 N 3.58 2.62 0.49 2.72 0.52 -1.26 1.00 118.95 128.62 1wn3 s ARG 28 Ca 0.50 -1.45 0.20 0.00 -0.52 0.00 0.00 55.73 54.47 1wn3 s ARG 28 Cb -0.17 -2.49 1.25 0.00 0.52 0.00 0.00 34.95 34.06 1wn3 s ARG 28 CO 0.14 -0.21 2.01 0.00 0.02 0.00 0.00 175.30 177.26 1wn3 h ALA 29 N 0.92 2.26 -0.26 2.13 0.00 -1.95 -0.28 119.26 122.09 1wn3 h ALA 29 Ca -0.41 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1wn3 h ALA 29 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wn3 h ALA 29 CO 0.54 -0.39 0.00 -0.40 0.00 0.00 0.00 179.25 179.00 1wn3 n ASP 30 N -4.44 1.62 -0.53 0.00 5.75 -1.26 -3.27 116.55 114.43 1wn3 n ASP 30 Ca 0.08 -2.05 0.06 0.00 -0.01 0.00 0.00 54.79 52.87 1wn3 n ASP 30 Cb 0.46 -0.24 0.09 0.00 -1.03 0.00 0.00 41.12 40.40 1wn3 n ASP 30 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1wn3 n HIS 31 N 0.28 0.19 -2.46 2.11 8.25 -0.11 -5.02 115.22 118.45 1wn3 n HIS 31 Ca 0.09 -0.20 -0.29 0.00 -0.26 0.00 0.00 57.72 57.06 1wn3 n HIS 31 Cb 0.28 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.38 1wn3 n HIS 31 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1wn3 s LEU 32 N -0.96 3.54 0.00 2.41 1.43 -1.20 -0.61 118.68 123.29 1wn3 s LEU 32 Ca 0.17 1.08 0.03 0.00 -1.03 0.00 0.00 54.13 54.38 1wn3 s LEU 32 Cb 0.10 -4.05 0.03 0.00 0.03 0.00 0.00 46.19 42.30 1wn3 s LEU 32 CO 0.15 -0.64 0.26 -0.46 0.23 0.00 0.00 176.35 175.89 1wn3 n ASN 33 N -2.30 1.57 0.13 2.29 0.23 0.33 -4.62 115.26 112.90 1wn3 n ASN 33 Ca 0.02 -1.86 0.10 0.00 -0.53 0.00 0.00 54.58 52.31 1wn3 n ASN 33 Cb 0.55 -0.08 0.49 0.00 -2.08 0.00 0.00 39.78 38.65 1wn3 n ASN 33 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1wn3 n LEU 34 N 0.00 0.49 -0.18 -4.53 -0.00 -1.26 -1.05 117.00 110.48 1wn3 n LEU 34 Ca 0.02 0.70 0.12 0.00 -0.00 0.00 0.00 56.01 56.85 1wn3 n LEU 34 Cb 0.30 -0.73 0.19 0.00 -0.00 0.00 0.00 43.42 43.17 1wn3 n LEU 34 CO 0.18 -0.80 0.42 1.41 -0.00 0.00 0.00 177.39 178.60 1wn3 n HIS 35 N -2.13 0.00 -0.67 1.47 8.25 -1.26 -4.95 115.22 115.93 1wn3 n HIS 35 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1wn3 n HIS 35 Cb 0.07 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.06 1wn3 n HIS 35 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wn3 n GLY 36 N 1.43 0.62 3.52 -1.41 0.00 -0.21 -5.06 105.19 104.07 1wn3 n GLY 36 Ca 0.08 -0.39 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 1wn3 n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wn3 s THR 37 N -2.00 1.74 -0.10 2.61 -4.23 -1.26 -4.81 115.64 107.59 1wn3 s THR 37 Ca 0.00 -2.06 -0.38 0.00 -1.18 0.00 0.00 61.69 58.07 1wn3 s THR 37 Cb 0.00 -2.76 -0.15 0.00 1.34 0.00 0.00 72.50 70.93 1wn3 s THR 37 CO 0.00 -0.10 1.64 0.00 -0.54 0.00 0.00 174.62 175.62 1wn3 n ALA 38 N -0.78 -0.07 -1.78 3.99 0.00 0.99 -0.51 120.51 122.36 1wn3 n ALA 38 Ca -0.04 0.41 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 1wn3 n ALA 38 Cb 0.65 -2.24 -0.01 0.00 0.00 0.00 0.00 19.45 17.86 1wn3 n ALA 38 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1wn3 s HIS 39 N 2.52 2.66 0.40 0.00 2.46 0.22 -4.72 115.29 118.83 1wn3 s HIS 39 Ca 0.92 1.10 0.12 0.00 0.47 0.00 0.00 55.06 57.67 1wn3 s HIS 39 Cb -0.93 -4.00 0.94 0.00 -0.13 0.00 0.00 32.58 28.46 1wn3 s HIS 39 CO 0.55 -3.03 1.92 0.78 -2.47 0.00 0.00 174.74 172.49 1wn3 h GLY 40 N 3.48 0.85 1.80 1.59 0.00 -1.89 -1.22 103.07 107.67 1wn3 h GLY 40 Ca -0.50 -0.23 -0.09 0.00 0.00 0.00 0.00 47.33 46.51 1wn3 h GLY 40 CO 0.68 0.10 -0.35 -1.33 0.00 0.00 0.00 176.54 175.63 1wn3 h GLY 41 N 0.54 0.25 0.88 4.60 0.00 -1.95 -1.61 103.07 105.78 1wn3 h GLY 41 Ca 0.37 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.37 1wn3 h GLY 41 CO -0.13 0.20 -0.31 -2.75 0.00 0.00 0.00 176.54 173.54 1wn3 h PHE 42 N 0.20 0.69 -0.72 5.60 3.57 -1.54 0.94 116.94 125.67 1wn3 h PHE 42 Ca 0.02 -0.24 -0.06 0.00 3.53 0.00 0.00 57.97 61.23 1wn3 h PHE 42 Cb 0.72 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.30 1wn3 h PHE 42 CO 0.01 0.96 0.21 -0.07 -2.23 0.00 0.00 178.31 177.19 1wn3 h LEU 43 N 0.22 1.06 -0.18 0.59 3.38 -1.43 -2.02 115.31 116.92 1wn3 h LEU 43 Ca 0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 1wn3 h LEU 43 Cb 0.90 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1wn3 h LEU 43 CO 0.07 0.99 -0.00 0.22 0.09 0.00 0.00 178.44 179.81 1wn3 h TYR 44 N 1.07 0.35 -0.97 1.13 5.03 -1.24 -2.17 116.97 120.17 1wn3 h TYR 44 Ca 0.23 -0.06 0.14 0.00 2.58 0.00 0.00 58.73 61.61 1wn3 h TYR 44 Cb 0.32 -0.09 -0.09 0.00 1.55 0.00 0.00 36.73 38.42 1wn3 h TYR 44 CO 0.03 0.53 0.59 0.00 -1.32 0.00 0.00 178.16 177.99 1wn3 h ALA 45 N 0.77 1.49 -0.03 1.82 0.00 -0.63 0.49 119.26 123.17 1wn3 h ALA 45 Ca 0.05 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1wn3 h ALA 45 Cb 0.40 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1wn3 h ALA 45 CO 0.01 0.12 0.01 1.25 0.00 0.00 0.00 179.25 180.64 1wn3 h LEU 46 N 0.88 0.05 -0.59 0.00 5.85 -1.19 -1.04 115.31 119.27 1wn3 h LEU 46 Ca 0.50 -0.17 -0.06 0.00 0.84 0.00 0.00 57.88 58.99 1wn3 h LEU 46 Cb 0.59 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1wn3 h LEU 46 CO -0.30 0.20 0.12 0.00 -0.34 0.00 0.00 178.44 178.12 1wn3 h ALA 47 N 0.85 0.78 -0.50 1.25 0.00 -0.64 -2.81 119.26 118.19 1wn3 h ALA 47 Ca 0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1wn3 h ALA 47 Cb 0.17 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1wn3 h ALA 47 CO -0.00 0.50 0.17 0.22 0.00 0.00 0.00 179.25 180.14 1wn3 h ASP 48 N 0.86 0.66 -0.42 0.00 3.58 0.03 -0.73 116.42 120.39 1wn3 h ASP 48 Ca 0.18 -0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.49 1wn3 h ASP 48 Cb 0.38 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 1wn3 h ASP 48 CO 0.01 0.62 0.05 0.28 -2.88 0.00 0.00 179.24 177.32 1wn3 h SER 49 N 0.71 0.69 -0.40 2.28 0.02 -0.96 0.23 113.55 116.13 1wn3 h SER 49 Ca 0.17 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 1wn3 h SER 49 Cb 0.19 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.53 1wn3 h SER 49 CO -0.01 0.79 0.09 0.00 -1.14 0.00 0.00 176.83 176.56 1wn3 h ALA 50 N 0.93 0.53 -0.52 3.77 0.00 -1.24 -0.72 119.26 122.01 1wn3 h ALA 50 Ca 0.13 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.89 1wn3 h ALA 50 Cb 0.41 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1wn3 h ALA 50 CO 0.01 0.21 0.25 0.35 0.00 0.00 0.00 179.25 180.07 1wn3 h PHE 51 N 0.50 0.46 -0.23 0.00 3.57 -0.88 0.56 116.94 120.92 1wn3 h PHE 51 Ca 0.12 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.59 1wn3 h PHE 51 Cb 0.32 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1wn3 h PHE 51 CO 0.02 0.21 -0.07 0.00 -2.23 0.00 0.00 178.31 176.25 1wn3 h ALA 52 N 1.29 0.32 -0.46 2.41 0.00 -0.35 -1.99 119.26 120.48 1wn3 h ALA 52 Ca 0.23 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1wn3 h ALA 52 Cb 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1wn3 h ALA 52 CO -0.17 0.12 0.23 -0.07 0.00 0.00 0.00 179.25 179.35 1wn3 h LEU 53 N 0.18 0.60 -0.57 0.00 3.38 -0.88 -1.51 115.31 116.50 1wn3 h LEU 53 Ca 0.06 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1wn3 h LEU 53 Cb 0.53 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 1wn3 h LEU 53 CO 0.02 0.55 0.16 0.00 0.09 0.00 0.00 178.44 179.26 1wn3 h ALA 54 N 1.07 0.75 -0.32 1.53 0.00 -0.90 -2.95 119.26 118.45 1wn3 h ALA 54 Ca 0.16 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1wn3 h ALA 54 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1wn3 h ALA 54 CO -0.02 0.44 -0.31 0.66 0.00 0.00 0.00 179.25 180.02 1wn3 h SER 55 N 0.82 0.72 0.38 0.00 4.64 -1.22 -2.83 113.55 116.06 1wn3 h SER 55 Ca 0.18 -0.29 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1wn3 h SER 55 Cb 0.32 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1wn3 h SER 55 CO -0.00 0.98 0.00 0.59 -0.87 0.00 0.00 176.83 177.53 1wn3 n ASN 56 N -4.08 0.00 0.00 4.97 3.02 -0.58 -1.88 115.26 116.71 1wn3 n ASN 56 Ca -0.01 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.66 1wn3 n ASN 56 Cb 0.47 -0.29 0.52 0.00 -0.61 0.00 0.00 39.78 39.88 1wn3 n ASN 56 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1wn3 n THR 57 N -1.29 0.32 0.96 3.41 -2.24 -1.07 -2.43 114.28 111.95 1wn3 n THR 57 Ca 0.09 0.08 0.10 0.00 -2.27 0.00 0.00 64.05 62.06 1wn3 n THR 57 Cb 0.16 -0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 67.71 1wn3 n THR 57 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wn3 n ARG 58 N -1.51 1.18 0.00 -0.78 5.12 -0.79 -4.74 116.66 115.14 1wn3 n ARG 58 Ca 0.06 -0.88 0.00 0.00 -1.93 0.00 0.00 57.85 55.10 1wn3 n ARG 58 Cb 0.29 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.14 1wn3 n ARG 58 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wn3 n GLY 59 N 1.39 2.80 3.67 -0.13 0.00 -1.02 -5.05 105.19 106.85 1wn3 n GLY 59 Ca 0.08 -2.01 -0.45 0.00 0.00 0.00 0.00 46.02 43.64 1wn3 n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wn3 n PRO 60 N -1.32 2.05 -3.75 1.61 -0.04 -1.26 -4.19 135.00 128.10 1wn3 n PRO 60 Ca 0.00 0.73 -0.13 0.00 -0.04 0.00 0.00 63.50 64.06 1wn3 n PRO 60 Cb 0.00 -2.42 -0.09 0.00 -0.04 0.00 0.00 33.50 30.95 1wn3 n PRO 60 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wn3 s ALA 61 N 0.20 -0.84 -0.02 0.55 0.00 -1.26 -0.88 121.76 119.50 1wn3 s ALA 61 Ca 0.71 0.53 0.06 0.00 0.00 0.00 0.00 51.96 53.27 1wn3 s ALA 61 Cb -0.66 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.34 1wn3 s ALA 61 CO 0.47 -0.24 -0.21 0.54 0.00 0.00 0.00 175.76 176.31 1wn3 s VAL 62 N -0.94 2.47 0.29 0.00 0.11 -0.32 -4.92 120.40 117.09 1wn3 s VAL 62 Ca -0.10 -1.00 -0.29 0.00 -2.93 0.00 0.00 61.98 57.66 1wn3 s VAL 62 Cb -0.04 -1.92 -0.10 0.00 -1.53 0.00 0.00 36.38 32.79 1wn3 s VAL 62 CO 0.04 0.55 1.22 0.00 -3.33 0.00 0.00 175.10 173.57 1wn3 s ALA 63 N -0.69 3.46 -0.01 1.54 0.00 -1.26 0.08 121.76 124.89 1wn3 s ALA 63 Ca 0.11 1.08 -0.02 0.00 0.00 0.00 0.00 51.96 53.13 1wn3 s ALA 63 Cb -0.10 -3.41 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 1wn3 s ALA 63 CO 0.00 -0.42 -0.04 1.28 0.00 0.00 0.00 175.76 176.59 1wn3 n LEU 64 N 1.28 0.35 -4.03 0.00 4.77 -0.30 -4.85 117.00 114.22 1wn3 n LEU 64 Ca 0.01 0.05 -0.21 0.00 -0.03 0.00 0.00 56.01 55.83 1wn3 n LEU 64 Cb 0.43 -0.29 -0.15 0.00 -2.33 0.00 0.00 43.42 41.08 1wn3 n LEU 64 CO 0.57 -0.51 -0.45 -0.55 -1.33 0.00 0.00 177.39 175.12 1wn3 s SER 65 N -4.88 1.36 0.02 -1.43 0.15 -1.16 -5.02 113.70 102.74 1wn3 s SER 65 Ca -0.03 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.42 1wn3 s SER 65 Cb 0.00 -0.32 -0.02 0.00 -1.71 0.00 0.00 66.02 63.98 1wn3 s SER 65 CO 0.04 0.09 -0.05 0.00 1.20 0.00 0.00 173.24 174.53 1wn3 s ARG 67 N -1.00 1.26 -0.12 0.00 3.52 0.14 -4.98 118.95 117.77 1wn3 s ARG 67 Ca -0.07 -0.58 -0.00 0.00 -0.13 0.00 0.00 55.73 54.94 1wn3 s ARG 67 Cb -0.07 -1.22 0.02 0.00 -1.56 0.00 0.00 34.95 32.13 1wn3 s ARG 67 CO -0.00 0.33 -0.08 1.41 -0.81 0.00 0.00 175.30 176.15 1wn3 s MET 68 N -0.42 1.58 -0.22 5.12 -2.45 -1.26 -0.78 119.30 120.88 1wn3 s MET 68 Ca 0.06 -0.28 -0.05 0.00 -1.25 0.00 0.00 55.69 54.17 1wn3 s MET 68 Cb -0.06 -1.63 -0.02 0.00 1.25 0.00 0.00 34.83 34.37 1wn3 s MET 68 CO -0.00 -0.27 -0.01 -0.51 1.05 0.00 0.00 175.02 175.28 1wn3 s ASP 69 N 1.69 4.67 -0.20 1.11 1.01 0.11 -4.97 116.67 120.09 1wn3 s ASP 69 Ca 0.05 -0.28 -0.13 0.00 0.71 0.00 0.00 52.55 52.90 1wn3 s ASP 69 Cb -0.13 -1.81 -0.05 0.00 1.01 0.00 0.00 42.92 41.95 1wn3 s ASP 69 CO -0.08 0.02 0.28 -0.31 0.21 0.00 0.00 175.17 175.28 1wn3 s TYR 70 N 1.28 3.39 -0.09 4.23 2.02 -1.26 -0.64 117.35 126.27 1wn3 s TYR 70 Ca 0.04 0.48 0.00 0.00 -0.37 0.00 0.00 57.07 57.22 1wn3 s TYR 70 Cb -0.15 -2.37 -0.05 0.00 -0.40 0.00 0.00 41.96 38.99 1wn3 s TYR 70 CO 0.00 0.11 -0.08 1.19 -1.57 0.00 0.00 175.55 175.21 1wn3 n PHE 71 N 4.07 0.00 -4.24 2.71 3.72 -0.02 -5.00 117.46 118.70 1wn3 n PHE 71 Ca -0.12 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.11 1wn3 n PHE 71 Cb 0.52 -0.33 -0.15 0.00 -0.94 0.00 0.00 39.48 38.58 1wn3 n PHE 71 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1wn3 s ARG 72 N -2.17 0.56 0.57 -1.08 0.52 -0.80 -5.05 118.95 111.51 1wn3 s ARG 72 Ca -0.11 -0.23 -0.09 0.00 -0.52 0.00 0.00 55.73 54.77 1wn3 s ARG 72 Cb 0.03 -0.55 -0.04 0.00 0.52 0.00 0.00 34.95 34.91 1wn3 s ARG 72 CO 0.19 0.13 0.95 -1.25 0.02 0.00 0.00 175.30 175.34 1wn3 s PRO 73 N -0.09 3.59 0.06 3.54 0.04 -1.26 -4.82 135.00 136.06 1wn3 s PRO 73 Ca 0.02 0.57 0.03 0.00 0.04 0.00 0.00 61.00 61.66 1wn3 s PRO 73 Cb -0.03 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 1wn3 s PRO 73 CO -0.00 -0.44 -0.09 -0.51 0.04 0.00 0.00 177.00 176.00 1wn3 s LEU 74 N -5.00 2.32 0.45 -3.56 1.43 -1.26 -4.99 118.68 108.07 1wn3 s LEU 74 Ca 0.53 -0.67 0.07 0.00 -1.03 0.00 0.00 54.13 53.03 1wn3 s LEU 74 Cb -0.11 -0.23 -0.01 0.00 0.03 0.00 0.00 46.19 45.87 1wn3 s LEU 74 CO 0.50 -0.23 0.32 -0.83 0.23 0.00 0.00 176.35 176.34 1wn3 s GLY 75 N -1.95 2.29 0.37 -3.19 0.00 -1.26 -0.00 107.32 103.57 1wn3 s GLY 75 Ca -0.03 -1.76 -0.28 0.00 0.00 0.00 0.00 44.72 42.65 1wn3 s GLY 75 CO -0.00 -1.85 1.40 0.00 0.00 0.00 0.00 173.10 172.65 1wn3 n ALA 76 N -1.51 1.88 0.00 3.20 0.00 -1.26 -2.13 120.51 120.69 1wn3 n ALA 76 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1wn3 n ALA 76 Cb 0.63 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.74 1wn3 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wn3 n GLY 77 N 0.60 1.85 3.69 0.00 0.00 0.28 -4.99 105.19 106.63 1wn3 n GLY 77 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 1wn3 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wn3 s ALA 78 N -2.53 3.62 -0.07 4.61 0.00 -0.91 -4.78 121.76 121.71 1wn3 s ALA 78 Ca 0.00 1.02 -0.21 0.00 0.00 0.00 0.00 51.96 52.78 1wn3 s ALA 78 Cb 0.00 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 1wn3 s ALA 78 CO 0.00 -0.95 0.59 1.03 0.00 0.00 0.00 175.76 176.43 1wn3 s ARG 79 N 2.33 4.37 0.08 0.00 0.52 -1.26 -0.72 118.95 124.27 1wn3 s ARG 79 Ca 0.67 0.69 0.05 0.00 -0.52 0.00 0.00 55.73 56.62 1wn3 s ARG 79 Cb -0.35 -3.42 -0.03 0.00 0.52 0.00 0.00 34.95 31.67 1wn3 s ARG 79 CO 0.29 0.17 -0.14 0.14 0.02 0.00 0.00 175.30 175.78 1wn3 s VAL 80 N 0.51 1.12 0.03 3.52 -7.23 -0.35 -4.36 120.40 113.64 1wn3 s VAL 80 Ca 0.32 -1.36 0.04 0.00 -1.81 0.00 0.00 61.98 59.16 1wn3 s VAL 80 Cb -0.17 -1.13 -0.02 0.00 0.56 0.00 0.00 36.38 35.63 1wn3 s VAL 80 CO 0.15 -0.26 -0.11 -1.61 -0.31 0.00 0.00 175.10 172.96 1wn3 s GLU 81 N -1.88 0.74 -0.14 4.82 2.02 -0.16 -1.39 118.70 122.72 1wn3 s GLU 81 Ca -0.01 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.36 1wn3 s GLU 81 Cb -0.09 -0.68 0.02 0.00 0.10 0.00 0.00 34.13 33.48 1wn3 s GLU 81 CO 0.02 0.17 -0.13 0.00 0.02 0.00 0.00 175.26 175.34 1wn3 s ALA 82 N -0.81 1.75 -0.29 5.21 0.00 0.30 -0.19 121.76 127.74 1wn3 s ALA 82 Ca -0.01 -0.83 -0.03 0.00 0.00 0.00 0.00 51.96 51.09 1wn3 s ALA 82 Cb -0.07 -1.01 0.04 0.00 0.00 0.00 0.00 23.12 22.08 1wn3 s ALA 82 CO 0.01 -0.36 0.01 0.50 0.00 0.00 0.00 175.76 175.91 1wn3 s ARG 83 N 1.48 2.64 -0.09 0.00 3.52 -0.51 -1.44 118.95 124.54 1wn3 s ARG 83 Ca 0.04 -1.13 -0.21 0.00 -0.13 0.00 0.00 55.73 54.31 1wn3 s ARG 83 Cb -0.13 -3.18 -0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1wn3 s ARG 83 CO -0.09 -0.54 0.58 0.00 -0.81 0.00 0.00 175.30 174.43 1wn3 s ALA 84 N 1.32 3.41 -0.03 6.12 0.00 0.35 -2.38 121.76 130.54 1wn3 s ALA 84 Ca -0.02 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 51.94 1wn3 s ALA 84 Cb -0.19 -2.79 -0.00 0.00 0.00 0.00 0.00 23.12 20.14 1wn3 s ALA 84 CO -0.01 -0.05 -0.15 0.14 0.00 0.00 0.00 175.76 175.69 1wn3 s VAL 85 N 0.72 1.23 -0.10 0.00 -7.23 0.32 -2.81 120.40 112.53 1wn3 s VAL 85 Ca 0.31 -0.61 -0.30 0.00 -1.81 0.00 0.00 61.98 59.57 1wn3 s VAL 85 Cb -0.16 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.70 1wn3 s VAL 85 CO 0.14 0.36 1.15 -0.70 -0.31 0.00 0.00 175.10 175.74 1wn3 s GLU 86 N 0.02 4.34 -0.03 4.82 2.12 -1.06 -0.76 118.70 128.16 1wn3 s GLU 86 Ca -0.02 1.58 0.14 0.00 0.36 0.00 0.00 54.97 57.03 1wn3 s GLU 86 Cb -0.10 -3.59 -0.21 0.00 0.26 0.00 0.00 34.13 30.49 1wn3 s GLU 86 CO 0.01 -0.47 0.27 1.33 -0.54 0.00 0.00 175.26 175.86 1wn3 n VAL 87 N 4.77 0.12 -3.68 3.70 0.24 -0.34 -4.94 118.33 118.20 1wn3 n VAL 87 Ca 0.11 -0.35 -0.11 0.00 -2.04 0.00 0.00 64.34 61.95 1wn3 n VAL 87 Cb 0.47 0.07 -0.09 0.00 -1.47 0.00 0.00 33.84 32.82 1wn3 n VAL 87 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1wn3 s ASN 88 N -3.72 -0.65 -0.12 -1.34 2.47 -1.10 -4.98 114.94 105.50 1wn3 s ASN 88 Ca -0.05 1.15 -0.02 0.00 0.42 0.00 0.00 52.86 54.36 1wn3 s ASN 88 Cb 0.08 1.11 0.04 0.00 -1.45 0.00 0.00 41.25 41.03 1wn3 s ASN 88 CO 0.57 -0.20 0.01 -0.22 -3.72 0.00 0.00 177.10 173.53 1wn3 s LEU 89 N 0.84 0.84 0.00 3.21 2.96 -1.26 -0.91 118.68 124.36 1wn3 s LEU 89 Ca -0.04 -0.37 0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1wn3 s LEU 89 Cb -0.05 -0.52 -0.00 0.00 0.50 0.00 0.00 46.19 46.11 1wn3 s LEU 89 CO -0.07 -0.23 0.00 -1.54 -1.32 0.00 0.00 176.35 173.19 1wn3 n SER 90 N 5.10 3.38 -0.20 3.68 3.41 0.71 -5.01 113.62 124.69 1wn3 n SER 90 Ca -0.08 -3.19 -0.09 0.00 -0.26 0.00 0.00 58.87 55.24 1wn3 n SER 90 Cb 0.49 0.35 0.02 0.00 -0.26 0.00 0.00 64.21 64.81 1wn3 n SER 90 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1wn3 h ARG 91 N 0.00 0.99 -0.01 4.33 2.43 -2.00 -3.32 114.38 116.79 1wn3 h ARG 91 Ca -0.41 -0.31 0.00 0.00 -0.81 0.00 0.00 59.98 58.44 1wn3 h ARG 91 Cb 1.26 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.71 1wn3 h ARG 91 CO 0.69 0.98 -0.11 0.54 -1.51 0.00 0.00 179.97 180.57 1wn3 n ARG 92 N -4.25 1.62 -4.03 0.20 5.12 -1.26 -4.78 116.66 109.28 1wn3 n ARG 92 Ca 0.02 -0.64 -0.09 0.00 -1.93 0.00 0.00 57.85 55.21 1wn3 n ARG 92 Cb 0.33 -1.04 -0.09 0.00 -1.16 0.00 0.00 32.46 30.51 1wn3 n ARG 92 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1wn3 s THR 93 N -0.97 0.11 -0.15 0.55 -4.23 -1.25 -0.35 115.64 109.35 1wn3 s THR 93 Ca 0.07 -1.61 -0.25 0.00 -1.18 0.00 0.00 61.69 58.72 1wn3 s THR 93 Cb 0.06 -1.79 0.06 0.00 1.34 0.00 0.00 72.50 72.18 1wn3 s THR 93 CO 0.16 -0.52 0.64 0.00 -0.54 0.00 0.00 174.62 174.35 1wn3 s ALA 94 N -3.97 -1.61 -0.01 3.99 0.00 -1.06 -0.21 121.76 118.90 1wn3 s ALA 94 Ca 0.16 1.51 0.06 0.00 0.00 0.00 0.00 51.96 53.69 1wn3 s ALA 94 Cb 0.06 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.60 1wn3 s ALA 94 CO -0.03 -0.33 -0.18 0.99 0.00 0.00 0.00 175.76 176.22 1wn3 s THR 95 N -0.39 1.42 0.04 0.00 2.01 -0.09 -0.36 115.64 118.27 1wn3 s THR 95 Ca -0.05 -0.82 0.04 0.00 0.31 0.00 0.00 61.69 61.16 1wn3 s THR 95 Cb -0.03 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.27 1wn3 s THR 95 CO 0.05 0.36 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.91 1wn3 s TYR 96 N -0.48 0.99 -0.16 4.92 1.51 0.94 -1.20 117.35 123.88 1wn3 s TYR 96 Ca 0.07 -0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 55.67 1wn3 s TYR 96 Cb -0.07 -0.58 -0.04 0.00 -0.11 0.00 0.00 41.96 41.16 1wn3 s TYR 96 CO -0.00 0.00 0.04 0.50 -1.11 0.00 0.00 175.55 174.98 1wn3 s ARG 97 N -1.32 3.72 -0.17 -0.62 3.52 0.06 -1.33 118.95 122.81 1wn3 s ARG 97 Ca -0.03 -0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.21 1wn3 s ARG 97 Cb -0.08 -3.10 0.04 0.00 -1.56 0.00 0.00 34.95 30.25 1wn3 s ARG 97 CO 0.01 0.39 -0.08 0.08 -0.81 0.00 0.00 175.30 174.89 1wn3 s VAL 98 N 0.03 1.32 -0.16 7.11 1.01 0.93 -0.52 120.40 130.11 1wn3 s VAL 98 Ca 0.05 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.17 1wn3 s VAL 98 Cb -0.12 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.79 1wn3 s VAL 98 CO 0.01 0.20 0.34 -1.61 0.00 0.00 0.00 175.10 174.04 1wn3 s GLU 99 N 1.55 4.26 -0.33 2.72 2.02 -1.00 -0.84 118.70 127.09 1wn3 s GLU 99 Ca 0.01 0.17 -0.11 0.00 0.02 0.00 0.00 54.97 55.06 1wn3 s GLU 99 Cb -0.15 -3.44 -0.01 0.00 0.10 0.00 0.00 34.13 30.62 1wn3 s GLU 99 CO -0.08 0.19 0.20 0.08 0.02 0.00 0.00 175.26 175.67 1wn3 s VAL 100 N 0.61 5.01 0.04 2.63 1.01 -0.56 -1.43 120.40 127.72 1wn3 s VAL 100 Ca 0.18 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.96 1wn3 s VAL 100 Cb -0.14 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.66 1wn3 s VAL 100 CO 0.06 0.03 -0.23 -0.69 0.00 0.00 0.00 175.10 174.26 1wn3 s VAL 101 N 1.68 1.86 -0.15 2.92 1.01 0.73 -0.54 120.40 127.92 1wn3 s VAL 101 Ca 0.05 -1.28 -0.06 0.00 0.00 0.00 0.00 61.98 60.69 1wn3 s VAL 101 Cb -0.17 -1.61 0.06 0.00 0.00 0.00 0.00 36.38 34.66 1wn3 s VAL 101 CO 0.09 0.27 0.33 -0.55 0.00 0.00 0.00 175.10 175.24 1wn3 s SER 102 N -1.20 -0.16 -1.61 3.32 0.15 -0.51 -0.98 113.70 112.71 1wn3 s SER 102 Ca 0.09 0.74 0.00 0.00 0.70 0.00 0.00 55.95 57.48 1wn3 s SER 102 Cb -0.09 0.77 0.00 0.00 -1.71 0.00 0.00 66.02 64.99 1wn3 s SER 102 CO 0.02 -0.21 0.00 -0.62 1.20 0.00 0.00 173.24 173.63 1wn3 n GLU 103 N 4.77 -1.40 -0.62 5.44 1.02 -1.26 -1.21 120.64 127.39 1wn3 n GLU 103 Ca -0.16 0.92 0.00 0.00 -0.02 0.00 0.00 57.16 57.90 1wn3 n GLU 103 Cb 0.52 -5.37 0.00 0.00 -0.02 0.00 0.00 31.44 26.57 1wn3 n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wn3 n GLY 104 N -0.97 1.40 3.79 0.62 0.00 -1.26 -5.01 105.19 103.76 1wn3 n GLY 104 Ca -0.21 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 1wn3 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wn3 s LYS 105 N -0.14 3.37 -0.66 1.61 -0.14 -0.35 -5.04 119.74 118.39 1wn3 s LYS 105 Ca 0.00 -0.24 -0.27 0.00 -1.36 0.00 0.00 55.97 54.10 1wn3 s LYS 105 Cb 0.00 -3.07 0.01 0.00 -1.68 0.00 0.00 37.83 33.09 1wn3 s LYS 105 CO 0.00 0.69 1.50 -1.17 -0.76 0.00 0.00 175.35 175.62 1wn3 s LEU 106 N -0.81 3.25 0.07 3.17 2.96 -1.26 -1.42 118.68 124.64 1wn3 s LEU 106 Ca 0.13 -0.04 -0.15 0.00 -0.22 0.00 0.00 54.13 53.85 1wn3 s LEU 106 Cb -0.12 -2.64 -0.21 0.00 0.50 0.00 0.00 46.19 43.72 1wn3 s LEU 106 CO 0.03 -2.00 1.20 0.58 -1.32 0.00 0.00 176.35 174.84 1wn3 h VAL 107 N 6.39 1.30 -2.84 1.68 2.07 -1.15 -3.41 116.25 120.29 1wn3 h VAL 107 Ca -0.27 -2.14 -0.05 0.00 0.82 0.00 0.00 66.70 65.06 1wn3 h VAL 107 Cb 1.10 2.31 -0.15 0.00 -1.52 0.00 0.00 31.29 33.03 1wn3 h VAL 107 CO 1.24 0.66 0.08 0.00 0.02 0.00 0.00 177.57 179.57 1wn3 s ALA 108 N -3.41 -1.38 -0.12 1.67 0.00 -1.14 -0.85 121.76 116.52 1wn3 s ALA 108 Ca -0.10 0.55 0.03 0.00 0.00 0.00 0.00 51.96 52.43 1wn3 s ALA 108 Cb 0.07 0.52 0.01 0.00 0.00 0.00 0.00 23.12 23.71 1wn3 s ALA 108 CO 0.90 -0.58 -0.22 -1.17 0.00 0.00 0.00 175.76 174.70 1wn3 s LEU 109 N -2.21 2.06 -0.04 0.00 2.96 0.18 -1.49 118.68 120.14 1wn3 s LEU 109 Ca -0.03 -0.57 0.06 0.00 -0.22 0.00 0.00 54.13 53.36 1wn3 s LEU 109 Cb -0.00 -1.39 -0.02 0.00 0.50 0.00 0.00 46.19 45.27 1wn3 s LEU 109 CO -0.05 0.10 -0.21 0.12 -1.32 0.00 0.00 176.35 174.99 1wn3 s PHE 110 N 0.69 2.52 -0.05 5.38 2.19 -0.02 0.10 117.98 128.79 1wn3 s PHE 110 Ca -0.11 -0.38 0.02 0.00 0.33 0.00 0.00 56.93 56.79 1wn3 s PHE 110 Cb -0.16 -1.58 0.01 0.00 -1.31 0.00 0.00 43.02 39.97 1wn3 s PHE 110 CO 0.01 0.01 -0.10 0.99 1.83 0.00 0.00 175.22 177.97 1wn3 s THR 111 N -0.54 0.94 -0.01 0.12 2.01 0.04 -0.05 115.64 118.15 1wn3 s THR 111 Ca 0.07 -0.39 -0.08 0.00 0.31 0.00 0.00 61.69 61.60 1wn3 s THR 111 Cb -0.11 -0.86 0.01 0.00 0.01 0.00 0.00 72.50 71.54 1wn3 s THR 111 CO 0.01 0.30 0.17 -0.83 -0.69 0.00 0.00 174.62 173.58 1wn3 s GLY 112 N 0.54 -0.01 -0.05 4.40 0.00 -0.44 0.23 107.32 111.99 1wn3 s GLY 112 Ca -0.10 0.04 0.04 0.00 0.00 0.00 0.00 44.72 44.70 1wn3 s GLY 112 CO 0.02 -0.10 -0.17 -1.59 0.00 0.00 0.00 173.10 171.27 1wn3 s THR 113 N -1.12 1.42 0.36 0.90 2.01 0.05 -0.04 115.64 119.23 1wn3 s THR 113 Ca -0.12 -0.70 0.08 0.00 0.31 0.00 0.00 61.69 61.26 1wn3 s THR 113 Cb -0.06 -1.23 -0.05 0.00 0.01 0.00 0.00 72.50 71.16 1wn3 s THR 113 CO 0.02 0.41 0.09 0.68 -0.69 0.00 0.00 174.62 175.13 1wn3 s VAL 114 N 0.14 2.65 -0.21 3.82 -7.23 0.52 -1.14 120.40 118.94 1wn3 s VAL 114 Ca -0.06 -1.83 -0.05 0.00 -1.81 0.00 0.00 61.98 58.23 1wn3 s VAL 114 Cb -0.12 -2.90 -0.02 0.00 0.56 0.00 0.00 36.38 33.89 1wn3 s VAL 114 CO 0.03 -0.14 -0.01 0.12 -0.31 0.00 0.00 175.10 174.79 1wn3 s PHE 115 N -2.52 3.02 -0.24 2.82 2.19 0.11 -2.56 117.98 120.81 1wn3 s PHE 115 Ca 0.37 -0.57 -0.24 0.00 0.33 0.00 0.00 56.93 56.82 1wn3 s PHE 115 Cb 0.00 -2.10 -0.01 0.00 -1.31 0.00 0.00 43.02 39.61 1wn3 s PHE 115 CO 0.21 -0.32 0.81 1.03 1.83 0.00 0.00 175.22 178.78 1wn3 s ARG 116 N 1.17 4.19 0.00 10.12 0.52 0.52 -1.18 118.95 134.29 1wn3 s ARG 116 Ca 0.03 0.91 0.31 0.00 -0.52 0.00 0.00 55.73 56.46 1wn3 s ARG 116 Cb -0.14 -3.64 1.63 0.00 0.52 0.00 0.00 34.95 33.32 1wn3 s ARG 116 CO 0.01 -0.49 2.07 1.28 0.02 0.00 0.00 175.30 178.19