#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wn3 s ASP 3 N 0.00 4.33 0.26 0.55 1.47 -1.26 -4.85 116.67 117.17 1wn3 s ASP 3 Ca 0.00 0.71 -0.02 0.00 1.18 0.00 0.00 52.55 54.42 1wn3 s ASP 3 Cb 0.00 -1.15 0.54 0.00 -0.34 0.00 0.00 42.92 41.98 1wn3 s ASP 3 CO 0.00 -2.01 1.70 -0.65 0.68 0.00 0.00 175.17 174.89 1wn3 h PRO 4 N -1.13 0.35 -0.42 2.11 0.11 -2.05 -1.99 132.00 128.98 1wn3 h PRO 4 Ca -0.46 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1wn3 h PRO 4 Cb 1.32 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1wn3 h PRO 4 CO 0.62 0.23 -0.17 0.35 -0.21 0.00 0.00 178.00 178.82 1wn3 h PHE 5 N 0.36 0.90 -0.48 0.65 3.57 -1.99 -1.44 116.94 118.50 1wn3 h PHE 5 Ca 0.46 -0.19 -0.03 0.00 3.53 0.00 0.00 57.97 61.74 1wn3 h PHE 5 Cb 0.79 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.29 1wn3 h PHE 5 CO -0.20 0.91 0.18 0.52 -2.23 0.00 0.00 178.31 177.49 1wn3 h MET 6 N 0.71 0.73 -0.69 1.11 2.86 -1.75 -1.78 114.93 116.11 1wn3 h MET 6 Ca 0.11 -0.14 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1wn3 h MET 6 Cb 0.68 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1wn3 h MET 6 CO 0.05 0.67 0.31 0.93 1.06 0.00 0.00 176.91 179.93 1wn3 h GLU 7 N 0.64 1.01 -0.63 1.72 5.08 -1.22 -0.02 114.58 121.16 1wn3 h GLU 7 Ca 0.16 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1wn3 h GLU 7 Cb 0.22 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1wn3 h GLU 7 CO -0.01 0.81 0.30 0.00 -1.00 0.00 0.00 179.01 179.11 1wn3 h ALA 8 N 1.15 1.35 -0.01 3.43 0.00 -1.00 -1.65 119.26 122.53 1wn3 h ALA 8 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wn3 h ALA 8 Cb 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1wn3 h ALA 8 CO -0.03 0.51 -0.10 1.28 0.00 0.00 0.00 179.25 180.92 1wn3 n LEU 9 N -4.35 0.75 -1.22 0.00 4.77 -0.69 -4.93 117.00 111.33 1wn3 n LEU 9 Ca 0.06 -0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 55.78 1wn3 n LEU 9 Cb 0.13 -0.11 -0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1wn3 n LEU 9 CO 0.38 0.13 -0.11 0.61 -1.33 0.00 0.00 177.39 177.07 1wn3 n GLY 10 N 1.23 -0.03 3.81 -0.72 0.00 -0.51 -4.81 105.19 104.16 1wn3 n GLY 10 Ca 0.16 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.99 4.38 0.04 0.99 1.43 -0.14 -4.64 118.68 117.76 1wn3 s LEU 11 Ca 0.02 1.47 0.09 0.00 -1.03 0.00 0.00 54.13 54.68 1wn3 s LEU 11 Cb -0.01 -3.56 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 1wn3 s LEU 11 CO 0.03 0.06 -0.25 -0.54 0.23 0.00 0.00 176.35 175.87 1wn3 s LYS 12 N -1.85 1.68 -0.37 1.70 -0.14 0.11 -4.64 119.74 116.22 1wn3 s LYS 12 Ca 0.42 -1.06 -0.19 0.00 -1.36 0.00 0.00 55.97 53.78 1wn3 s LYS 12 Cb -0.18 -1.85 0.01 0.00 -1.68 0.00 0.00 37.83 34.13 1wn3 s LYS 12 CO 0.22 0.48 0.55 0.08 -0.76 0.00 0.00 175.35 175.92 1wn3 s VAL 13 N -0.80 4.96 -0.07 3.17 1.01 -1.26 -0.23 120.40 127.18 1wn3 s VAL 13 Ca 0.11 0.28 0.14 0.00 0.00 0.00 0.00 61.98 62.50 1wn3 s VAL 13 Cb -0.10 -4.04 -0.22 0.00 0.00 0.00 0.00 36.38 32.03 1wn3 s VAL 13 CO 0.02 -0.33 0.65 0.18 0.00 0.00 0.00 175.10 175.62 1wn3 n LEU 14 N 5.89 0.80 -3.72 3.92 4.77 0.00 -4.96 117.00 123.69 1wn3 n LEU 14 Ca -0.04 0.38 -0.14 0.00 -0.03 0.00 0.00 56.01 56.18 1wn3 n LEU 14 Cb 0.48 0.18 -0.09 0.00 -2.33 0.00 0.00 43.42 41.66 1wn3 n LEU 14 CO 0.48 0.35 0.10 -2.28 -1.33 0.00 0.00 177.39 174.70 1wn3 s HIS 15 N -2.65 -0.38 -0.23 -1.77 5.04 -1.12 -4.96 115.29 109.21 1wn3 s HIS 15 Ca -0.05 0.85 -0.05 0.00 -1.54 0.00 0.00 55.06 54.26 1wn3 s HIS 15 Cb 0.08 0.16 0.12 0.00 0.04 0.00 0.00 32.58 32.97 1wn3 s HIS 15 CO 0.82 -0.30 0.45 -1.17 -2.34 0.00 0.00 174.74 172.20 1wn3 s LEU 16 N -0.38 -0.77 0.22 8.88 2.96 -1.26 -1.09 118.68 127.24 1wn3 s LEU 16 Ca -0.05 0.83 -0.05 0.00 -0.22 0.00 0.00 54.13 54.63 1wn3 s LEU 16 Cb -0.03 1.46 -0.03 0.00 0.50 0.00 0.00 46.19 48.09 1wn3 s LEU 16 CO 0.02 -0.25 0.26 0.00 -1.32 0.00 0.00 176.35 175.06 1wn3 s ALA 17 N 2.65 0.64 -0.19 5.97 0.00 -0.91 -5.02 121.76 124.91 1wn3 s ALA 17 Ca 0.04 -1.39 -0.37 0.00 0.00 0.00 0.00 51.96 50.24 1wn3 s ALA 17 Cb -0.13 1.27 -0.13 0.00 0.00 0.00 0.00 23.12 24.12 1wn3 s ALA 17 CO -0.15 -0.69 1.85 -2.30 0.00 0.00 0.00 175.76 174.47 1wn3 n PRO 18 N -0.31 1.67 -1.05 0.00 -0.02 -1.26 -1.27 135.00 132.76 1wn3 n PRO 18 Ca 0.01 0.60 -0.02 0.00 -2.02 0.00 0.00 63.50 62.07 1wn3 n PRO 18 Cb 0.64 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.71 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 4.48 0.45 3.27 -1.23 0.00 -1.25 -4.99 105.19 105.91 1wn3 n GLY 19 Ca 0.26 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 -1.15 0.96 -0.05 1.61 -1.05 -0.40 -2.00 118.70 116.62 1wn3 s GLU 20 Ca 0.00 -0.81 -0.29 0.00 -0.15 0.00 0.00 54.97 53.72 1wn3 s GLU 20 Cb 0.00 0.41 0.10 0.00 -0.44 0.00 0.00 34.13 34.20 1wn3 s GLU 20 CO 0.00 -0.35 0.85 0.00 0.95 0.00 0.00 175.26 176.71 1wn3 s ALA 21 N -3.78 -1.82 -0.05 -0.84 0.00 -1.00 -2.14 121.76 112.13 1wn3 s ALA 21 Ca 0.03 1.20 -0.01 0.00 0.00 0.00 0.00 51.96 53.19 1wn3 s ALA 21 Cb 0.03 0.02 0.03 0.00 0.00 0.00 0.00 23.12 23.20 1wn3 s ALA 21 CO -0.11 -0.51 0.01 0.08 0.00 0.00 0.00 175.76 175.23 1wn3 s VAL 22 N -2.16 0.18 -0.05 0.00 1.01 -0.25 -0.71 120.40 118.43 1wn3 s VAL 22 Ca -0.01 0.17 0.06 0.00 0.00 0.00 0.00 61.98 62.21 1wn3 s VAL 22 Cb -0.01 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 1wn3 s VAL 22 CO -0.02 0.19 -0.23 -0.69 0.00 0.00 0.00 175.10 174.35 1wn3 s VAL 23 N 1.58 1.89 0.24 2.92 1.01 -0.32 -0.82 120.40 126.90 1wn3 s VAL 23 Ca -0.02 -0.98 0.11 0.00 0.00 0.00 0.00 61.98 61.09 1wn3 s VAL 23 Cb -0.13 -1.60 -0.05 0.00 0.00 0.00 0.00 36.38 34.61 1wn3 s VAL 23 CO -0.03 0.53 -0.21 0.00 0.00 0.00 0.00 175.10 175.39 1wn3 s ALA 24 N -0.17 2.55 0.16 5.51 0.00 0.68 -0.00 121.76 130.49 1wn3 s ALA 24 Ca -0.02 -1.75 -0.24 0.00 0.00 0.00 0.00 51.96 49.95 1wn3 s ALA 24 Cb -0.13 -0.26 0.07 0.00 0.00 0.00 0.00 23.12 22.80 1wn3 s ALA 24 CO 0.03 0.31 0.98 0.20 0.00 0.00 0.00 175.76 177.28 1wn3 s GLY 25 N -3.15 -0.14 0.01 0.00 0.00 -0.63 0.05 107.32 103.45 1wn3 s GLY 25 Ca 0.25 0.01 0.06 0.00 0.00 0.00 0.00 44.72 45.04 1wn3 s GLY 25 CO 0.12 0.50 -0.18 1.85 0.00 0.00 0.00 173.10 175.38 1wn3 s GLU 26 N -2.99 1.40 -0.32 2.90 2.12 -1.26 -1.05 118.70 119.51 1wn3 s GLU 26 Ca 0.14 -0.73 -0.29 0.00 0.36 0.00 0.00 54.97 54.45 1wn3 s GLU 26 Cb -0.02 -1.40 -0.00 0.00 0.26 0.00 0.00 34.13 32.97 1wn3 s GLU 26 CO 0.03 0.38 1.45 0.08 -0.54 0.00 0.00 175.26 176.66 1wn3 s VAL 27 N -0.56 3.90 0.48 3.70 1.01 -0.50 -4.94 120.40 123.50 1wn3 s VAL 27 Ca 0.07 0.98 0.06 0.00 0.00 0.00 0.00 61.98 63.09 1wn3 s VAL 27 Cb -0.08 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.31 1wn3 s VAL 27 CO 0.00 -0.52 0.67 -0.13 0.00 0.00 0.00 175.10 175.12 1wn3 s ARG 28 N 4.66 2.64 0.55 2.72 1.81 -1.26 -0.01 118.95 130.05 1wn3 s ARG 28 Ca 0.63 -1.19 0.21 0.00 -1.72 0.00 0.00 55.73 53.66 1wn3 s ARG 28 Cb -0.18 -2.66 1.48 0.00 -0.45 0.00 0.00 34.95 33.14 1wn3 s ARG 28 CO 0.28 -0.51 2.19 0.00 -0.68 0.00 0.00 175.30 176.59 1wn3 h ALA 29 N 0.39 1.82 -0.32 2.13 0.00 -1.98 -0.59 119.26 120.71 1wn3 h ALA 29 Ca -0.39 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1wn3 h ALA 29 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1wn3 h ALA 29 CO 0.46 -0.00 0.00 -0.40 0.00 0.00 0.00 179.25 179.30 1wn3 n ASP 30 N -4.28 1.93 -0.61 0.00 5.75 -1.26 -3.54 116.55 114.54 1wn3 n ASP 30 Ca -0.03 -1.92 0.06 0.00 -0.01 0.00 0.00 54.79 52.89 1wn3 n ASP 30 Cb 0.09 -0.21 0.11 0.00 -1.03 0.00 0.00 41.12 40.07 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 0.53 0.23 -3.29 2.11 8.25 -0.23 -5.02 115.22 117.81 1wn3 n HIS 31 Ca 0.14 -0.22 -0.31 0.00 -0.26 0.00 0.00 57.72 57.07 1wn3 n HIS 31 Cb 0.32 -0.01 -0.05 0.00 1.12 0.00 0.00 29.99 31.37 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 -1.04 4.09 0.00 2.41 1.43 -1.23 -1.13 118.68 123.21 1wn3 s LEU 32 Ca 0.20 0.97 -0.02 0.00 -1.03 0.00 0.00 54.13 54.25 1wn3 s LEU 32 Cb 0.12 -3.76 0.08 0.00 0.03 0.00 0.00 46.19 42.66 1wn3 s LEU 32 CO 0.17 -0.16 0.55 -0.46 0.23 0.00 0.00 176.35 176.68 1wn3 n ASN 33 N -0.46 0.52 0.00 2.29 0.23 0.19 -4.67 115.26 113.35 1wn3 n ASN 33 Ca 0.01 -1.49 0.06 0.00 -0.53 0.00 0.00 54.58 52.63 1wn3 n ASN 33 Cb 0.53 -0.38 0.29 0.00 -2.08 0.00 0.00 39.78 38.14 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 0.00 0.00 -4.53 -0.00 -1.26 -1.93 117.00 109.28 1wn3 n LEU 34 Ca 0.08 0.44 0.11 0.00 -0.00 0.00 0.00 56.01 56.64 1wn3 n LEU 34 Cb 0.30 -0.44 0.05 0.00 -0.00 0.00 0.00 43.42 43.34 1wn3 n LEU 34 CO 0.21 -0.25 0.17 1.41 -0.00 0.00 0.00 177.39 178.93 1wn3 n HIS 35 N -1.44 0.02 -0.29 1.47 8.25 -1.26 -4.96 115.22 117.01 1wn3 n HIS 35 Ca 0.04 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1wn3 n HIS 35 Cb 0.14 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 31.10 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 1.49 0.83 3.69 -1.41 0.00 -0.82 -5.07 105.19 103.89 1wn3 n GLY 36 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.08 2.58 0.15 2.61 -4.23 -1.26 -4.48 115.64 108.93 1wn3 s THR 37 Ca 0.00 -1.83 -0.34 0.00 -1.18 0.00 0.00 61.69 58.34 1wn3 s THR 37 Cb 0.00 -2.91 -0.15 0.00 1.34 0.00 0.00 72.50 70.78 1wn3 s THR 37 CO 0.00 -0.12 1.42 0.00 -0.54 0.00 0.00 174.62 175.38 1wn3 n ALA 38 N -1.08 0.29 -1.88 3.99 0.00 0.10 -0.64 120.51 121.30 1wn3 n ALA 38 Ca -0.03 0.47 -0.41 0.00 0.00 0.00 0.00 53.44 53.47 1wn3 n ALA 38 Cb 0.63 -2.21 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 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 0.47 3.20 0.53 0.00 2.46 -0.29 -4.62 115.29 117.04 1wn3 s HIS 39 Ca 0.78 1.34 0.25 0.00 0.47 0.00 0.00 55.06 57.89 1wn3 s HIS 39 Cb -0.79 -3.61 1.39 0.00 -0.13 0.00 0.00 32.58 29.44 1wn3 s HIS 39 CO 0.45 -1.77 2.01 0.78 -2.47 0.00 0.00 174.74 173.73 1wn3 h GLY 40 N 4.41 0.00 2.00 1.59 0.00 -1.90 -0.12 103.07 109.06 1wn3 h GLY 40 Ca -0.47 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 1wn3 h GLY 40 CO 0.72 0.00 -0.31 -1.33 0.00 0.00 0.00 176.54 175.62 1wn3 h GLY 41 N 0.00 0.00 0.71 4.60 0.00 -1.95 -2.01 103.07 104.42 1wn3 h GLY 41 Ca 0.23 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.41 1wn3 h GLY 41 CO -0.00 0.00 -0.64 -2.75 0.00 0.00 0.00 176.54 173.15 1wn3 h PHE 42 N 0.00 0.55 -0.66 5.60 3.57 -1.33 -1.87 116.94 122.79 1wn3 h PHE 42 Ca -0.00 -0.33 -0.03 0.00 3.53 0.00 0.00 57.97 61.13 1wn3 h PHE 42 Cb 0.92 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 1wn3 h PHE 42 CO 0.00 1.19 0.29 -0.07 -2.23 0.00 0.00 178.31 177.49 1wn3 h LEU 43 N -0.25 0.86 -0.30 0.59 3.38 -1.48 -1.70 115.31 116.42 1wn3 h LEU 43 Ca -0.09 -0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.62 1wn3 h LEU 43 Cb 1.40 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 1wn3 h LEU 43 CO 0.12 0.75 -0.41 0.22 0.09 0.00 0.00 178.44 179.22 1wn3 h TYR 44 N 0.94 1.00 -0.56 1.13 5.03 -1.41 -2.13 116.97 120.97 1wn3 h TYR 44 Ca 0.23 -0.33 0.01 0.00 2.58 0.00 0.00 58.73 61.22 1wn3 h TYR 44 Cb 0.14 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 38.19 1wn3 h TYR 44 CO 0.01 1.13 0.37 0.00 -1.32 0.00 0.00 178.16 178.35 1wn3 h ALA 45 N 0.70 1.60 -0.06 1.82 0.00 -0.91 0.73 119.26 123.13 1wn3 h ALA 45 Ca 0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wn3 h ALA 45 Cb 1.00 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1wn3 h ALA 45 CO 0.10 0.37 -0.00 1.25 0.00 0.00 0.00 179.25 180.97 1wn3 h LEU 46 N 0.76 0.11 -0.15 0.00 5.85 -1.16 -0.59 115.31 120.13 1wn3 h LEU 46 Ca 0.21 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1wn3 h LEU 46 Cb -0.09 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 1wn3 h LEU 46 CO -0.04 0.41 0.06 0.00 -0.34 0.00 0.00 178.44 178.52 1wn3 h ALA 47 N 0.71 0.20 -0.37 1.25 0.00 -0.70 -2.55 119.26 117.80 1wn3 h ALA 47 Ca 0.02 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.85 1wn3 h ALA 47 Cb 0.35 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1wn3 h ALA 47 CO 0.00 -0.22 0.24 0.22 0.00 0.00 0.00 179.25 179.50 1wn3 h ASP 48 N 0.10 0.37 -0.17 0.00 3.58 0.47 -0.88 116.42 119.90 1wn3 h ASP 48 Ca 0.05 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.44 1wn3 h ASP 48 Cb 0.16 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.12 1wn3 h ASP 48 CO -0.00 0.26 -0.10 0.28 -2.88 0.00 0.00 179.24 176.79 1wn3 h SER 49 N 0.43 0.38 -0.86 2.28 0.02 -0.82 -0.16 113.55 114.82 1wn3 h SER 49 Ca 0.14 -0.43 -0.02 0.00 -0.84 0.00 0.00 61.79 60.64 1wn3 h SER 49 Cb 0.05 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.44 1wn3 h SER 49 CO -0.03 0.73 0.48 0.00 -1.14 0.00 0.00 176.83 176.86 1wn3 h ALA 50 N 0.66 1.10 -0.04 3.77 0.00 -1.05 -1.10 119.26 122.60 1wn3 h ALA 50 Ca 0.03 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1wn3 h ALA 50 Cb 0.60 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1wn3 h ALA 50 CO 0.03 0.60 -0.02 0.35 0.00 0.00 0.00 179.25 180.21 1wn3 h PHE 51 N 1.20 -0.06 -0.70 0.00 3.57 -1.07 -0.08 116.94 119.80 1wn3 h PHE 51 Ca 0.30 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.76 1wn3 h PHE 51 Cb 0.02 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 1wn3 h PHE 51 CO 0.01 -0.04 0.26 0.00 -2.23 0.00 0.00 178.31 176.30 1wn3 h ALA 52 N 1.02 0.91 -0.39 2.41 0.00 -0.72 -1.29 119.26 121.19 1wn3 h ALA 52 Ca 0.03 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1wn3 h ALA 52 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1wn3 h ALA 52 CO -0.06 0.55 -0.06 -0.07 0.00 0.00 0.00 179.25 179.61 1wn3 h LEU 53 N 1.00 0.73 -0.43 0.00 3.38 -1.02 -2.01 115.31 116.96 1wn3 h LEU 53 Ca 0.23 -0.34 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 1wn3 h LEU 53 Cb 0.24 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1wn3 h LEU 53 CO -0.01 0.90 0.11 0.00 0.09 0.00 0.00 178.44 179.53 1wn3 h ALA 54 N 0.85 0.56 -0.13 1.53 0.00 -0.85 -2.99 119.26 118.23 1wn3 h ALA 54 Ca 0.10 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 54.70 1wn3 h ALA 54 Cb 0.56 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1wn3 h ALA 54 CO 0.03 0.23 -0.46 0.66 0.00 0.00 0.00 179.25 179.71 1wn3 h SER 55 N 0.55 0.34 0.24 0.00 4.64 -1.23 -2.95 113.55 115.15 1wn3 h SER 55 Ca 0.14 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1wn3 h SER 55 Cb 0.30 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1wn3 h SER 55 CO -0.00 0.75 -0.00 0.59 -0.87 0.00 0.00 176.83 177.30 1wn3 n ASN 56 N -3.99 0.03 0.24 4.97 3.02 -0.76 -2.16 115.26 116.61 1wn3 n ASN 56 Ca -0.02 -0.65 0.16 0.00 -0.03 0.00 0.00 54.58 54.04 1wn3 n ASN 56 Cb 0.52 -0.12 0.61 0.00 -0.61 0.00 0.00 39.78 40.18 1wn3 n ASN 56 CO 0.00 0.00 0.00 0.71 -2.62 0.00 0.00 177.26 175.35 1wn3 h THR 57 N 0.05 0.00 -0.02 3.41 1.35 -1.37 -1.63 112.91 114.69 1wn3 h THR 57 Ca 0.00 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1wn3 h THR 57 Cb 0.13 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1wn3 h THR 57 CO 0.00 0.00 -0.06 0.54 -0.25 0.00 0.00 175.52 175.75 1wn3 n ARG 58 N -2.87 1.77 0.00 4.72 5.12 -0.92 -4.83 116.66 119.66 1wn3 n ARG 58 Ca 0.01 -1.25 0.00 0.00 -1.93 0.00 0.00 57.85 54.68 1wn3 n ARG 58 Cb 0.30 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.13 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 1.27 1.63 3.70 -0.13 0.00 -0.61 -5.04 105.19 106.01 1wn3 n GLY 59 Ca 0.16 -2.24 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.02 2.39 -3.70 1.61 -0.04 -1.26 -4.12 135.00 128.86 1wn3 n PRO 60 Ca 0.00 0.85 -0.14 0.00 -0.04 0.00 0.00 63.50 64.17 1wn3 n PRO 60 Cb 0.00 -2.59 -0.08 0.00 -0.04 0.00 0.00 33.50 30.79 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 0.21 -1.04 -0.05 0.55 0.00 -1.26 -1.39 121.76 118.78 1wn3 s ALA 61 Ca 0.69 0.60 0.06 0.00 0.00 0.00 0.00 51.96 53.30 1wn3 s ALA 61 Cb -0.58 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 1wn3 s ALA 61 CO 0.46 -0.29 -0.23 0.54 0.00 0.00 0.00 175.76 176.24 1wn3 s VAL 62 N -1.25 2.28 0.34 0.00 0.11 -0.37 -4.91 120.40 116.59 1wn3 s VAL 62 Ca -0.13 -1.00 -0.28 0.00 -2.93 0.00 0.00 61.98 57.64 1wn3 s VAL 62 Cb -0.04 -1.83 -0.10 0.00 -1.53 0.00 0.00 36.38 32.88 1wn3 s VAL 62 CO 0.06 0.57 1.29 0.00 -3.33 0.00 0.00 175.10 173.69 1wn3 s ALA 63 N -0.36 3.45 0.00 1.54 0.00 -1.26 0.01 121.76 125.14 1wn3 s ALA 63 Ca 0.03 1.23 -0.04 0.00 0.00 0.00 0.00 51.96 53.17 1wn3 s ALA 63 Cb -0.12 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.52 1wn3 s ALA 63 CO 0.02 -0.63 -0.08 1.28 0.00 0.00 0.00 175.76 176.34 1wn3 n LEU 64 N 0.71 1.00 -3.87 0.00 4.77 0.14 -4.84 117.00 114.91 1wn3 n LEU 64 Ca 0.01 0.15 -0.17 0.00 -0.03 0.00 0.00 56.01 55.96 1wn3 n LEU 64 Cb 0.42 -0.39 -0.16 0.00 -2.33 0.00 0.00 43.42 40.97 1wn3 n LEU 64 CO 0.58 -0.57 -0.39 -0.55 -1.33 0.00 0.00 177.39 175.14 1wn3 s SER 65 N -5.60 0.53 0.00 -1.43 0.15 -1.11 -5.01 113.70 101.23 1wn3 s SER 65 Ca -0.07 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.56 1wn3 s SER 65 Cb 0.01 -0.23 -0.01 0.00 -1.71 0.00 0.00 66.02 64.08 1wn3 s SER 65 CO 0.10 -0.05 -0.11 0.00 1.20 0.00 0.00 173.24 174.38 1wn3 s ARG 67 N -0.50 1.83 -0.11 0.00 3.52 0.25 -4.97 118.95 118.97 1wn3 s ARG 67 Ca 0.03 -1.00 -0.01 0.00 -0.13 0.00 0.00 55.73 54.62 1wn3 s ARG 67 Cb -0.05 -1.90 0.03 0.00 -1.56 0.00 0.00 34.95 31.47 1wn3 s ARG 67 CO -0.00 0.50 -0.04 1.41 -0.81 0.00 0.00 175.30 176.36 1wn3 s MET 68 N -0.96 1.13 -0.21 5.12 -2.45 -1.26 -0.86 119.30 119.81 1wn3 s MET 68 Ca 0.10 -0.17 -0.05 0.00 -1.25 0.00 0.00 55.69 54.32 1wn3 s MET 68 Cb -0.10 -1.46 -0.02 0.00 1.25 0.00 0.00 34.83 34.51 1wn3 s MET 68 CO 0.01 -0.32 -0.00 -0.51 1.05 0.00 0.00 175.02 175.24 1wn3 s ASP 69 N 1.80 4.74 -0.16 1.11 1.01 0.79 -4.97 116.67 120.99 1wn3 s ASP 69 Ca 0.04 -0.25 -0.13 0.00 0.71 0.00 0.00 52.55 52.92 1wn3 s ASP 69 Cb -0.13 -1.82 -0.05 0.00 1.01 0.00 0.00 42.92 41.94 1wn3 s ASP 69 CO -0.07 0.03 0.27 -0.31 0.21 0.00 0.00 175.17 175.30 1wn3 s TYR 70 N 1.19 3.46 -0.08 4.23 2.02 -1.26 -0.72 117.35 126.18 1wn3 s TYR 70 Ca 0.03 0.56 0.01 0.00 -0.37 0.00 0.00 57.07 57.30 1wn3 s TYR 70 Cb -0.14 -2.30 -0.05 0.00 -0.40 0.00 0.00 41.96 39.06 1wn3 s TYR 70 CO 0.01 0.27 -0.07 1.19 -1.57 0.00 0.00 175.55 175.38 1wn3 n PHE 71 N 3.49 0.00 -4.03 2.71 3.72 0.70 -4.99 117.46 119.08 1wn3 n PHE 71 Ca -0.13 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.15 1wn3 n PHE 71 Cb 0.52 -0.31 -0.13 0.00 -0.94 0.00 0.00 39.48 38.62 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 -2.16 0.33 0.48 -1.08 0.52 -0.92 -5.04 118.95 111.06 1wn3 s ARG 72 Ca -0.11 -0.38 -0.10 0.00 -0.52 0.00 0.00 55.73 54.63 1wn3 s ARG 72 Cb 0.03 -0.17 -0.05 0.00 0.52 0.00 0.00 34.95 35.27 1wn3 s ARG 72 CO 0.19 0.04 0.84 -1.25 0.02 0.00 0.00 175.30 175.14 1wn3 s PRO 73 N -0.75 3.69 0.06 3.54 0.04 -1.26 -4.85 135.00 135.47 1wn3 s PRO 73 Ca -0.05 0.48 0.05 0.00 0.04 0.00 0.00 61.00 61.52 1wn3 s PRO 73 Cb -0.05 -2.31 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 1wn3 s PRO 73 CO -0.00 -0.21 -0.13 -0.51 0.04 0.00 0.00 177.00 176.19 1wn3 s LEU 74 N -4.39 2.25 0.40 -3.56 1.43 -1.26 -5.01 118.68 108.55 1wn3 s LEU 74 Ca 0.51 -0.57 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 1wn3 s LEU 74 Cb -0.10 -0.50 -0.01 0.00 0.03 0.00 0.00 46.19 45.61 1wn3 s LEU 74 CO 0.40 -0.06 0.43 -0.83 0.23 0.00 0.00 176.35 176.51 1wn3 s GLY 75 N -1.58 2.01 0.36 -3.19 0.00 -1.26 0.01 107.32 103.67 1wn3 s GLY 75 Ca -0.02 -1.77 -0.28 0.00 0.00 0.00 0.00 44.72 42.65 1wn3 s GLY 75 CO 0.02 -1.61 1.39 0.00 0.00 0.00 0.00 173.10 172.90 1wn3 n ALA 76 N -1.62 1.83 0.00 3.20 0.00 -1.26 -2.37 120.51 120.29 1wn3 n ALA 76 Ca 0.04 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1wn3 n ALA 76 Cb 0.60 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.72 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 0.63 2.66 3.72 0.00 0.00 0.98 -5.00 105.19 108.18 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 -2.75 3.73 -0.15 4.61 0.00 -1.00 -4.71 121.76 121.49 1wn3 s ALA 78 Ca 0.00 1.33 -0.22 0.00 0.00 0.00 0.00 51.96 53.07 1wn3 s ALA 78 Cb 0.00 -3.60 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1wn3 s ALA 78 CO 0.00 -0.75 0.68 1.03 0.00 0.00 0.00 175.76 176.72 1wn3 s ARG 79 N 0.85 4.31 0.13 0.00 1.81 -1.26 -1.41 118.95 123.38 1wn3 s ARG 79 Ca 0.67 0.76 0.08 0.00 -1.72 0.00 0.00 55.73 55.52 1wn3 s ARG 79 Cb -0.42 -3.53 -0.04 0.00 -0.45 0.00 0.00 34.95 30.51 1wn3 s ARG 79 CO 0.33 -0.13 -0.19 0.54 -0.68 0.00 0.00 175.30 175.17 1wn3 s VAL 80 N 1.52 1.69 0.02 3.52 0.11 -0.21 -4.04 120.40 123.01 1wn3 s VAL 80 Ca 0.33 -1.71 0.02 0.00 -2.93 0.00 0.00 61.98 57.69 1wn3 s VAL 80 Cb -0.16 -1.66 -0.01 0.00 -1.53 0.00 0.00 36.38 33.02 1wn3 s VAL 80 CO 0.13 -0.22 -0.07 -1.61 -3.33 0.00 0.00 175.10 170.00 1wn3 s GLU 81 N -2.37 0.54 -0.23 1.54 2.02 0.02 -1.61 118.70 118.60 1wn3 s GLU 81 Ca 0.10 -0.50 -0.00 0.00 0.02 0.00 0.00 54.97 54.59 1wn3 s GLU 81 Cb -0.08 -0.43 0.03 0.00 0.10 0.00 0.00 34.13 33.76 1wn3 s GLU 81 CO 0.05 0.10 -0.10 0.00 0.02 0.00 0.00 175.26 175.33 1wn3 s ALA 82 N -0.74 2.60 -0.34 5.21 0.00 1.00 -0.86 121.76 128.62 1wn3 s ALA 82 Ca -0.03 -1.44 -0.03 0.00 0.00 0.00 0.00 51.96 50.45 1wn3 s ALA 82 Cb -0.06 -1.56 0.06 0.00 0.00 0.00 0.00 23.12 21.56 1wn3 s ALA 82 CO 0.00 -0.75 0.08 1.03 0.00 0.00 0.00 175.76 176.12 1wn3 s ARG 83 N 1.29 2.36 -0.14 0.00 0.52 -0.03 -1.17 118.95 121.78 1wn3 s ARG 83 Ca 0.00 -1.40 -0.07 0.00 -0.52 0.00 0.00 55.73 53.74 1wn3 s ARG 83 Cb -0.16 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.90 1wn3 s ARG 83 CO -0.06 -0.76 0.12 0.00 0.02 0.00 0.00 175.30 174.62 1wn3 s ALA 84 N 1.26 3.73 0.03 2.13 0.00 0.11 -1.52 121.76 127.51 1wn3 s ALA 84 Ca -0.01 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.31 1wn3 s ALA 84 Cb -0.21 -1.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.93 1wn3 s ALA 84 CO -0.01 0.46 -0.09 0.14 0.00 0.00 0.00 175.76 176.26 1wn3 s VAL 85 N -0.54 0.69 0.03 0.00 -7.23 -0.38 -2.39 120.40 110.58 1wn3 s VAL 85 Ca 0.12 -0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 59.08 1wn3 s VAL 85 Cb -0.12 -0.68 -0.04 0.00 0.56 0.00 0.00 36.38 36.10 1wn3 s VAL 85 CO 0.02 -0.19 1.02 -0.70 -0.31 0.00 0.00 175.10 174.94 1wn3 s GLU 86 N -1.21 4.56 -0.07 4.82 2.12 -0.85 -1.17 118.70 126.91 1wn3 s GLU 86 Ca -0.04 1.49 0.12 0.00 0.36 0.00 0.00 54.97 56.90 1wn3 s GLU 86 Cb -0.08 -3.42 -0.17 0.00 0.26 0.00 0.00 34.13 30.71 1wn3 s GLU 86 CO 0.01 -0.04 0.16 1.33 -0.54 0.00 0.00 175.26 176.17 1wn3 n VAL 87 N 3.69 0.42 -3.72 3.70 0.24 -0.44 -4.91 118.33 117.30 1wn3 n VAL 87 Ca 0.06 -0.40 -0.14 0.00 -2.04 0.00 0.00 64.34 61.82 1wn3 n VAL 87 Cb 0.50 -0.25 -0.09 0.00 -1.47 0.00 0.00 33.84 32.53 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 -3.99 -0.39 -0.05 -1.34 2.47 -1.10 -4.98 114.94 105.55 1wn3 s ASN 88 Ca -0.05 0.64 -0.02 0.00 0.42 0.00 0.00 52.86 53.85 1wn3 s ASN 88 Cb 0.06 0.70 0.03 0.00 -1.45 0.00 0.00 41.25 40.59 1wn3 s ASN 88 CO 0.51 -0.26 0.07 -0.22 -3.72 0.00 0.00 177.10 173.48 1wn3 s LEU 89 N -0.30 0.13 0.38 3.21 2.96 -1.26 -1.81 118.68 121.99 1wn3 s LEU 89 Ca -0.04 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 1wn3 s LEU 89 Cb -0.03 -0.11 -0.04 0.00 0.50 0.00 0.00 46.19 46.51 1wn3 s LEU 89 CO 0.02 -0.26 0.09 -0.94 -1.32 0.00 0.00 176.35 173.95 1wn3 s SER 90 N 2.18 2.71 0.16 3.68 1.04 -0.23 -5.02 113.70 118.22 1wn3 s SER 90 Ca 0.05 -1.55 -0.20 0.00 0.48 0.00 0.00 55.95 54.73 1wn3 s SER 90 Cb -0.12 0.27 0.07 0.00 0.10 0.00 0.00 66.02 66.33 1wn3 s SER 90 CO -0.04 -0.79 1.64 -0.09 0.98 0.00 0.00 173.24 174.94 1wn3 h ARG 91 N 1.89 -0.15 -0.18 4.02 9.65 -2.01 -3.24 114.38 124.36 1wn3 h ARG 91 Ca -0.38 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.51 1wn3 h ARG 91 Cb 1.26 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.88 1wn3 h ARG 91 CO 0.63 -0.10 0.00 0.54 2.80 0.00 0.00 179.97 183.84 1wn3 n ARG 92 N -5.36 1.86 -3.96 0.20 1.74 -1.26 -4.78 116.66 105.09 1wn3 n ARG 92 Ca 0.01 -1.60 -0.10 0.00 -0.77 0.00 0.00 57.85 55.39 1wn3 n ARG 92 Cb 0.28 -1.21 -0.06 0.00 -1.02 0.00 0.00 32.46 30.44 1wn3 n ARG 92 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1wn3 s THR 93 N -0.91 0.04 -0.19 0.55 -4.23 -1.22 -0.64 115.64 109.03 1wn3 s THR 93 Ca 0.16 -1.36 -0.26 0.00 -1.18 0.00 0.00 61.69 59.05 1wn3 s THR 93 Cb 0.09 -1.93 0.07 0.00 1.34 0.00 0.00 72.50 72.07 1wn3 s THR 93 CO 0.13 -0.19 0.69 0.00 -0.54 0.00 0.00 174.62 174.71 1wn3 s ALA 94 N -3.98 -1.74 0.00 3.99 0.00 -1.11 -1.07 121.76 117.85 1wn3 s ALA 94 Ca 0.19 1.75 0.06 0.00 0.00 0.00 0.00 51.96 53.96 1wn3 s ALA 94 Cb 0.02 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.36 1wn3 s ALA 94 CO 0.02 -0.34 -0.19 0.99 0.00 0.00 0.00 175.76 176.24 1wn3 s THR 95 N -0.16 1.53 0.04 0.00 2.01 -0.75 -0.96 115.64 117.35 1wn3 s THR 95 Ca -0.04 -0.92 0.04 0.00 0.31 0.00 0.00 61.69 61.09 1wn3 s THR 95 Cb -0.03 -1.29 -0.02 0.00 0.01 0.00 0.00 72.50 71.17 1wn3 s THR 95 CO 0.04 0.35 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.88 1wn3 s TYR 96 N -0.55 1.10 -0.18 4.92 1.51 0.34 -1.33 117.35 123.15 1wn3 s TYR 96 Ca 0.07 -0.37 -0.05 0.00 -1.01 0.00 0.00 57.07 55.71 1wn3 s TYR 96 Cb -0.08 -0.65 -0.03 0.00 -0.11 0.00 0.00 41.96 41.10 1wn3 s TYR 96 CO -0.00 0.02 -0.01 0.50 -1.11 0.00 0.00 175.55 174.95 1wn3 s ARG 97 N -1.23 3.67 -0.20 -0.62 3.52 -0.31 -1.81 118.95 121.96 1wn3 s ARG 97 Ca -0.01 -0.50 0.01 0.00 -0.13 0.00 0.00 55.73 55.10 1wn3 s ARG 97 Cb -0.08 -3.03 0.04 0.00 -1.56 0.00 0.00 34.95 30.32 1wn3 s ARG 97 CO 0.01 0.12 -0.11 0.08 -0.81 0.00 0.00 175.30 174.59 1wn3 s VAL 98 N 0.71 1.75 -0.10 7.11 1.01 0.96 -1.25 120.40 130.59 1wn3 s VAL 98 Ca -0.00 -1.08 -0.18 0.00 0.00 0.00 0.00 61.98 60.72 1wn3 s VAL 98 Cb -0.14 -1.80 -0.04 0.00 0.00 0.00 0.00 36.38 34.39 1wn3 s VAL 98 CO 0.02 0.18 0.46 -1.61 0.00 0.00 0.00 175.10 174.15 1wn3 s GLU 99 N 1.35 4.29 -0.32 2.72 2.02 -0.57 -0.42 118.70 127.77 1wn3 s GLU 99 Ca -0.02 0.43 -0.10 0.00 0.02 0.00 0.00 54.97 55.31 1wn3 s GLU 99 Cb -0.16 -3.41 -0.00 0.00 0.10 0.00 0.00 34.13 30.65 1wn3 s GLU 99 CO -0.08 0.23 0.16 0.08 0.02 0.00 0.00 175.26 175.67 1wn3 s VAL 100 N 0.41 4.62 0.10 2.63 1.01 -0.18 -0.85 120.40 128.14 1wn3 s VAL 100 Ca 0.25 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.84 1wn3 s VAL 100 Cb -0.15 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.80 1wn3 s VAL 100 CO 0.10 0.02 -0.22 0.68 0.00 0.00 0.00 175.10 175.68 1wn3 s VAL 101 N 1.61 1.84 -0.13 2.92 -7.23 -0.04 -0.47 120.40 118.89 1wn3 s VAL 101 Ca 0.04 -1.56 -0.06 0.00 -1.81 0.00 0.00 61.98 58.59 1wn3 s VAL 101 Cb -0.17 -1.65 0.06 0.00 0.56 0.00 0.00 36.38 35.17 1wn3 s VAL 101 CO 0.06 0.00 0.30 -0.55 -0.31 0.00 0.00 175.10 174.61 1wn3 s SER 102 N -1.87 -0.11 -1.42 4.85 0.15 -0.63 -0.80 113.70 113.87 1wn3 s SER 102 Ca 0.08 0.66 -0.01 0.00 0.70 0.00 0.00 55.95 57.38 1wn3 s SER 102 Cb -0.10 0.67 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1wn3 s SER 102 CO 0.04 -0.20 0.34 -0.62 1.20 0.00 0.00 173.24 174.00 1wn3 n GLU 103 N 4.73 -2.66 -1.00 5.44 -0.58 -1.26 -1.34 120.64 123.97 1wn3 n GLU 103 Ca -0.17 0.33 -0.00 0.00 -0.42 0.00 0.00 57.16 56.90 1wn3 n GLU 103 Cb 0.52 -4.27 -0.00 0.00 -0.57 0.00 0.00 31.44 27.12 1wn3 n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1wn3 n GLY 104 N -2.11 0.33 3.41 0.62 0.00 -1.26 -5.02 105.19 101.16 1wn3 n GLY 104 Ca -0.31 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.71 2.13 -0.56 1.61 1.02 -0.45 -5.07 119.74 117.70 1wn3 s LYS 105 Ca 0.00 -0.93 -0.27 0.00 0.02 0.00 0.00 55.97 54.80 1wn3 s LYS 105 Cb 0.00 -2.16 0.03 0.00 -0.52 0.00 0.00 37.83 35.18 1wn3 s LYS 105 CO 0.00 0.56 1.09 -1.17 -0.92 0.00 0.00 175.35 174.91 1wn3 s LEU 106 N -1.05 3.72 0.02 3.17 2.96 -1.26 -1.60 118.68 124.64 1wn3 s LEU 106 Ca 0.12 -0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 53.92 1wn3 s LEU 106 Cb -0.10 -3.03 -0.28 0.00 0.50 0.00 0.00 46.19 43.27 1wn3 s LEU 106 CO 0.02 -1.37 0.93 0.58 -1.32 0.00 0.00 176.35 175.19 1wn3 h VAL 107 N 6.10 1.24 -2.81 1.68 2.07 -1.11 -3.40 116.25 120.02 1wn3 h VAL 107 Ca -0.25 -2.85 0.00 0.00 0.82 0.00 0.00 66.70 64.42 1wn3 h VAL 107 Cb 1.06 2.82 -0.13 0.00 -1.52 0.00 0.00 31.29 33.52 1wn3 h VAL 107 CO 1.14 0.83 0.27 0.00 0.02 0.00 0.00 177.57 179.84 1wn3 s ALA 108 N -2.63 -1.65 -0.10 1.67 0.00 -1.04 -0.21 121.76 117.80 1wn3 s ALA 108 Ca -0.08 0.64 0.02 0.00 0.00 0.00 0.00 51.96 52.54 1wn3 s ALA 108 Cb 0.07 0.75 0.01 0.00 0.00 0.00 0.00 23.12 23.95 1wn3 s ALA 108 CO 0.86 -0.73 -0.16 -1.17 0.00 0.00 0.00 175.76 174.57 1wn3 s LEU 109 N -2.62 1.75 -0.08 0.00 2.96 0.10 -1.01 118.68 119.78 1wn3 s LEU 109 Ca 0.01 -0.41 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 1wn3 s LEU 109 Cb -0.01 -1.07 -0.02 0.00 0.50 0.00 0.00 46.19 45.59 1wn3 s LEU 109 CO -0.11 0.04 -0.16 0.12 -1.32 0.00 0.00 176.35 174.92 1wn3 s PHE 110 N 0.84 2.70 -0.07 5.38 2.19 0.44 -0.15 117.98 129.32 1wn3 s PHE 110 Ca -0.10 -0.45 0.02 0.00 0.33 0.00 0.00 56.93 56.74 1wn3 s PHE 110 Cb -0.15 -1.71 0.01 0.00 -1.31 0.00 0.00 43.02 39.86 1wn3 s PHE 110 CO 0.01 -0.04 -0.11 0.99 1.83 0.00 0.00 175.22 177.89 1wn3 s THR 111 N -0.21 1.08 -0.00 0.12 2.01 -0.04 -0.02 115.64 118.58 1wn3 s THR 111 Ca -0.00 -0.44 -0.13 0.00 0.31 0.00 0.00 61.69 61.43 1wn3 s THR 111 Cb -0.13 -1.00 0.02 0.00 0.01 0.00 0.00 72.50 71.40 1wn3 s THR 111 CO 0.03 0.34 0.27 -0.83 -0.69 0.00 0.00 174.62 173.75 1wn3 s GLY 112 N 0.72 -0.10 -0.03 4.40 0.00 -0.75 0.88 107.32 112.43 1wn3 s GLY 112 Ca -0.14 0.17 0.04 0.00 0.00 0.00 0.00 44.72 44.79 1wn3 s GLY 112 CO 0.03 -0.02 -0.14 -1.59 0.00 0.00 0.00 173.10 171.37 1wn3 s THR 113 N -1.55 1.18 0.40 0.90 2.01 -0.04 -0.50 115.64 118.04 1wn3 s THR 113 Ca -0.12 -0.58 0.08 0.00 0.31 0.00 0.00 61.69 61.37 1wn3 s THR 113 Cb -0.05 -1.02 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 1wn3 s THR 113 CO 0.02 0.35 0.16 0.68 -0.69 0.00 0.00 174.62 175.14 1wn3 s VAL 114 N 0.06 2.40 -0.16 3.82 -7.23 -0.14 -0.69 120.40 118.47 1wn3 s VAL 114 Ca -0.03 -1.72 -0.01 0.00 -1.81 0.00 0.00 61.98 58.41 1wn3 s VAL 114 Cb -0.10 -2.98 -0.01 0.00 0.56 0.00 0.00 36.38 33.85 1wn3 s VAL 114 CO 0.01 -0.04 -0.10 0.12 -0.31 0.00 0.00 175.10 174.78 1wn3 s PHE 115 N -2.58 2.86 -0.17 2.82 2.19 0.10 -2.74 117.98 120.47 1wn3 s PHE 115 Ca 0.40 -0.82 -0.24 0.00 0.33 0.00 0.00 56.93 56.61 1wn3 s PHE 115 Cb 0.03 -1.94 -0.02 0.00 -1.31 0.00 0.00 43.02 39.78 1wn3 s PHE 115 CO 0.22 -0.37 0.77 1.03 1.83 0.00 0.00 175.22 178.70 1wn3 s ARG 116 N 0.80 4.29 0.00 10.12 0.52 0.19 -1.24 118.95 133.62 1wn3 s ARG 116 Ca -0.04 0.90 0.30 0.00 -0.52 0.00 0.00 55.73 56.37 1wn3 s ARG 116 Cb -0.15 -3.56 1.40 0.00 0.52 0.00 0.00 34.95 33.15 1wn3 s ARG 116 CO 0.01 -0.27 1.94 1.28 0.02 0.00 0.00 175.30 178.28