#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 4.45 0.21 6.15 -1.08 -1.26 -5.02 116.67 120.12 1wn3 s ASP 3 Ca 0.00 -1.73 -0.11 0.00 -0.52 0.00 0.00 52.55 50.19 1wn3 s ASP 3 Cb 0.00 -1.46 0.28 0.00 -1.46 0.00 0.00 42.92 40.28 1wn3 s ASP 3 CO 0.00 -0.31 1.68 -0.65 0.52 0.00 0.00 175.17 176.41 1wn3 h PRO 4 N 7.76 0.16 -0.50 4.34 0.11 -2.03 -2.16 132.00 139.68 1wn3 h PRO 4 Ca -0.12 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 1wn3 h PRO 4 Cb 1.03 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1wn3 h PRO 4 CO 0.48 0.10 0.17 0.35 -0.21 0.00 0.00 178.00 178.90 1wn3 h PHE 5 N 0.16 0.79 -0.75 0.65 3.57 -1.98 0.16 116.94 119.54 1wn3 h PHE 5 Ca 0.31 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.78 1wn3 h PHE 5 Cb 0.49 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 1wn3 h PHE 5 CO -0.32 0.67 0.46 0.52 -2.23 0.00 0.00 178.31 177.42 1wn3 h MET 6 N 0.67 0.86 -0.06 1.11 2.86 -1.81 -1.05 114.93 117.50 1wn3 h MET 6 Ca 0.16 -0.05 -0.13 0.00 -2.06 0.00 0.00 59.70 57.62 1wn3 h MET 6 Cb 0.24 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1wn3 h MET 6 CO -0.01 0.57 -0.57 0.93 1.06 0.00 0.00 176.91 178.89 1wn3 h GLU 7 N 0.88 0.20 -0.14 1.72 5.08 -1.10 0.36 114.58 121.59 1wn3 h GLU 7 Ca 0.32 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.47 1wn3 h GLU 7 Cb 0.09 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1wn3 h GLU 7 CO -0.14 0.71 -0.25 0.00 -1.00 0.00 0.00 179.01 178.33 1wn3 h ALA 8 N 1.26 1.33 -0.01 3.43 0.00 -0.30 -1.90 119.26 123.07 1wn3 h ALA 8 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1wn3 h ALA 8 Cb 1.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1wn3 h ALA 8 CO 0.09 0.46 -0.06 1.28 0.00 0.00 0.00 179.25 181.01 1wn3 n LEU 9 N -4.17 1.36 -0.32 0.00 4.77 -0.46 -4.93 117.00 113.26 1wn3 n LEU 9 Ca -0.01 -0.43 -0.04 0.00 -0.03 0.00 0.00 56.01 55.50 1wn3 n LEU 9 Cb 0.36 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.40 1wn3 n LEU 9 CO 0.40 0.23 -0.04 0.61 -1.33 0.00 0.00 177.39 177.26 1wn3 n GLY 10 N 1.21 0.70 3.78 -0.72 0.00 -0.72 -4.82 105.19 104.63 1wn3 n GLY 10 Ca 0.17 -0.76 -0.39 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.95 4.53 -0.03 0.99 1.43 0.12 -4.61 118.68 120.15 1wn3 s LEU 11 Ca 0.00 1.70 0.05 0.00 -1.03 0.00 0.00 54.13 54.85 1wn3 s LEU 11 Cb 0.00 -3.52 -0.01 0.00 0.03 0.00 0.00 46.19 42.69 1wn3 s LEU 11 CO 0.00 0.13 -0.17 -0.75 0.23 0.00 0.00 176.35 175.78 1wn3 s LYS 12 N -1.43 1.70 -0.15 1.70 2.20 0.12 -4.32 119.74 119.54 1wn3 s LYS 12 Ca 0.40 -0.62 -0.29 0.00 -0.36 0.00 0.00 55.97 55.10 1wn3 s LYS 12 Cb -0.22 -1.52 -0.01 0.00 -1.51 0.00 0.00 37.83 34.58 1wn3 s LYS 12 CO 0.26 0.29 1.08 0.08 -0.36 0.00 0.00 175.35 176.70 1wn3 s VAL 13 N -0.09 4.61 -0.21 4.02 1.01 -1.26 -0.35 120.40 128.11 1wn3 s VAL 13 Ca -0.01 1.91 -0.03 0.00 0.00 0.00 0.00 61.98 63.86 1wn3 s VAL 13 Cb -0.10 -4.23 -0.20 0.00 0.00 0.00 0.00 36.38 31.85 1wn3 s VAL 13 CO 0.01 -0.08 -0.03 0.18 0.00 0.00 0.00 175.10 175.18 1wn3 n LEU 14 N 5.73 2.76 -3.78 3.92 4.77 0.72 -4.95 117.00 126.16 1wn3 n LEU 14 Ca 0.11 0.03 -0.13 0.00 -0.03 0.00 0.00 56.01 55.99 1wn3 n LEU 14 Cb 0.47 -0.97 -0.10 0.00 -2.33 0.00 0.00 43.42 40.49 1wn3 n LEU 14 CO 0.53 0.86 -0.03 -2.28 -1.33 0.00 0.00 177.39 175.14 1wn3 s HIS 15 N -2.53 -0.19 0.01 -1.77 5.04 -1.12 -4.98 115.29 109.76 1wn3 s HIS 15 Ca -0.31 0.36 0.01 0.00 -1.54 0.00 0.00 55.06 53.57 1wn3 s HIS 15 Cb 0.09 0.08 -0.01 0.00 0.04 0.00 0.00 32.58 32.77 1wn3 s HIS 15 CO 0.65 -0.30 -0.03 -1.17 -2.34 0.00 0.00 174.74 171.55 1wn3 s LEU 16 N -0.88 2.10 0.10 8.88 2.96 -1.26 -1.34 118.68 129.23 1wn3 s LEU 16 Ca -0.10 -0.22 -0.26 0.00 -0.22 0.00 0.00 54.13 53.33 1wn3 s LEU 16 Cb -0.05 -0.05 0.08 0.00 0.50 0.00 0.00 46.19 46.67 1wn3 s LEU 16 CO 0.03 -0.09 0.89 0.00 -1.32 0.00 0.00 176.35 175.85 1wn3 s ALA 17 N -0.59 -1.69 -0.33 5.97 0.00 -0.63 -4.99 121.76 119.50 1wn3 s ALA 17 Ca -0.05 0.48 -0.39 0.00 0.00 0.00 0.00 51.96 52.00 1wn3 s ALA 17 Cb -0.04 0.59 -0.15 0.00 0.00 0.00 0.00 23.12 23.52 1wn3 s ALA 17 CO -0.00 -0.88 1.95 -2.30 0.00 0.00 0.00 175.76 174.53 1wn3 n PRO 18 N -0.37 0.99 -1.57 0.00 -0.02 -1.26 -0.69 135.00 132.07 1wn3 n PRO 18 Ca -0.08 0.33 -0.14 0.00 -2.02 0.00 0.00 63.50 61.59 1wn3 n PRO 18 Cb 0.61 -2.15 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 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 5.41 1.09 3.40 -1.23 0.00 -1.25 -4.99 105.19 107.62 1wn3 n GLY 19 Ca 0.35 -0.38 -0.14 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.46 1.07 -0.09 1.61 -1.05 0.13 -2.64 118.70 114.26 1wn3 s GLU 20 Ca 0.00 -0.26 -0.31 0.00 -0.15 0.00 0.00 54.97 54.25 1wn3 s GLU 20 Cb 0.00 0.49 0.09 0.00 -0.44 0.00 0.00 34.13 34.27 1wn3 s GLU 20 CO 0.00 -0.40 0.81 0.00 0.95 0.00 0.00 175.26 176.62 1wn3 s ALA 21 N -2.62 -1.84 -0.11 -0.84 0.00 -1.17 -1.60 121.76 113.58 1wn3 s ALA 21 Ca -0.04 1.43 0.01 0.00 0.00 0.00 0.00 51.96 53.35 1wn3 s ALA 21 Cb -0.00 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.85 1wn3 s ALA 21 CO -0.03 -0.35 -0.11 0.08 0.00 0.00 0.00 175.76 175.35 1wn3 s VAL 22 N -1.18 1.27 -0.03 0.00 1.01 -0.45 -1.01 120.40 120.01 1wn3 s VAL 22 Ca -0.07 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.50 1wn3 s VAL 22 Cb -0.00 -1.21 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 1wn3 s VAL 22 CO 0.06 0.40 -0.21 -0.69 0.00 0.00 0.00 175.10 174.66 1wn3 s VAL 23 N 1.37 2.46 0.14 2.92 1.01 -0.46 -0.20 120.40 127.63 1wn3 s VAL 23 Ca 0.00 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.10 1wn3 s VAL 23 Cb -0.13 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1wn3 s VAL 23 CO -0.06 0.58 -0.17 0.00 0.00 0.00 0.00 175.10 175.45 1wn3 s ALA 24 N -0.66 1.81 0.20 5.51 0.00 0.52 -0.47 121.76 128.68 1wn3 s ALA 24 Ca 0.11 -1.40 -0.14 0.00 0.00 0.00 0.00 51.96 50.53 1wn3 s ALA 24 Cb -0.10 -0.15 0.05 0.00 0.00 0.00 0.00 23.12 22.91 1wn3 s ALA 24 CO -0.00 0.20 0.68 0.41 0.00 0.00 0.00 175.76 177.05 1wn3 n GLY 25 N 0.46 0.98 2.85 0.00 0.00 -0.30 0.12 105.19 109.31 1wn3 n GLY 25 Ca -0.15 -1.13 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.05 0.05 -0.15 1.61 2.12 -1.26 -1.09 118.70 117.94 1wn3 s GLU 26 Ca 0.15 0.04 -0.29 0.00 0.36 0.00 0.00 54.97 55.22 1wn3 s GLU 26 Cb -0.03 -0.14 -0.03 0.00 0.26 0.00 0.00 34.13 34.19 1wn3 s GLU 26 CO 0.06 -0.04 1.52 0.08 -0.54 0.00 0.00 175.26 176.34 1wn3 s VAL 27 N 0.35 3.83 0.48 3.70 1.01 -0.50 -4.92 120.40 124.35 1wn3 s VAL 27 Ca -0.03 0.98 0.08 0.00 0.00 0.00 0.00 61.98 63.00 1wn3 s VAL 27 Cb -0.05 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1wn3 s VAL 27 CO -0.01 -0.17 0.51 -0.13 0.00 0.00 0.00 175.10 175.30 1wn3 s ARG 28 N 4.11 2.46 0.50 2.72 0.52 -1.26 -0.10 118.95 127.90 1wn3 s ARG 28 Ca 0.67 -1.63 0.15 0.00 -0.52 0.00 0.00 55.73 54.40 1wn3 s ARG 28 Cb -0.27 -2.43 1.19 0.00 0.52 0.00 0.00 34.95 33.97 1wn3 s ARG 28 CO 0.25 -0.46 2.12 0.00 0.02 0.00 0.00 175.30 177.23 1wn3 h ALA 29 N 0.71 1.93 -0.06 2.13 0.00 -1.98 -2.01 119.26 119.99 1wn3 h ALA 29 Ca -0.37 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1wn3 h ALA 29 Cb 1.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1wn3 h ALA 29 CO 0.52 0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.42 1wn3 n ASP 30 N -4.51 0.68 -0.69 0.00 5.75 -1.26 -3.35 116.55 113.17 1wn3 n ASP 30 Ca -0.02 -1.48 0.08 0.00 -0.01 0.00 0.00 54.79 53.36 1wn3 n ASP 30 Cb 0.10 -0.03 0.10 0.00 -1.03 0.00 0.00 41.12 40.25 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 -0.36 0.13 -2.57 2.11 8.25 -0.75 -5.02 115.22 117.00 1wn3 n HIS 31 Ca 0.16 -0.10 -0.27 0.00 -0.26 0.00 0.00 57.72 57.25 1wn3 n HIS 31 Cb 0.18 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.29 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 -1.27 3.57 0.00 2.41 1.43 -1.21 -0.55 118.68 123.06 1wn3 s LEU 32 Ca 0.21 0.94 0.06 0.00 -1.03 0.00 0.00 54.13 54.31 1wn3 s LEU 32 Cb 0.14 -3.89 0.06 0.00 0.03 0.00 0.00 46.19 42.54 1wn3 s LEU 32 CO 0.20 -0.64 0.50 -0.46 0.23 0.00 0.00 176.35 176.19 1wn3 n ASN 33 N -2.32 1.52 0.19 2.29 0.23 -0.52 -4.68 115.26 111.97 1wn3 n ASN 33 Ca 0.01 -2.07 0.14 0.00 -0.53 0.00 0.00 54.58 52.14 1wn3 n ASN 33 Cb 0.55 -0.25 0.67 0.00 -2.08 0.00 0.00 39.78 38.67 1wn3 n ASN 33 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1wn3 h LEU 34 N 0.00 0.00 -0.96 -4.53 3.38 -1.99 -2.39 115.31 108.82 1wn3 h LEU 34 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1wn3 h LEU 34 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1wn3 h LEU 34 CO 0.27 0.00 -0.11 1.41 0.09 0.00 0.00 178.44 180.10 1wn3 n HIS 35 N -2.48 0.00 -0.73 1.13 8.25 -1.26 -4.94 115.22 115.19 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 0.14 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.21 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 1.27 0.62 3.51 -1.41 0.00 -0.90 -5.05 105.19 103.22 1wn3 n GLY 36 Ca 0.16 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 2.72 -0.05 2.61 -4.23 -1.26 -4.46 115.64 108.97 1wn3 s THR 37 Ca 0.00 -2.17 -0.37 0.00 -1.18 0.00 0.00 61.69 57.97 1wn3 s THR 37 Cb 0.00 -2.40 -0.15 0.00 1.34 0.00 0.00 72.50 71.28 1wn3 s THR 37 CO 0.00 -0.32 1.58 0.00 -0.54 0.00 0.00 174.62 175.35 1wn3 n ALA 38 N -0.45 -0.11 -1.77 3.99 0.00 0.19 -1.44 120.51 120.91 1wn3 n ALA 38 Ca -0.07 0.43 -0.40 0.00 0.00 0.00 0.00 53.44 53.40 1wn3 n ALA 38 Cb 0.59 -2.23 -0.00 0.00 0.00 0.00 0.00 19.45 17.81 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 2.06 2.70 0.54 0.00 2.46 0.28 -4.77 115.29 118.56 1wn3 s HIS 39 Ca 0.89 1.29 0.22 0.00 0.47 0.00 0.00 55.06 57.93 1wn3 s HIS 39 Cb -0.91 -3.86 1.43 0.00 -0.13 0.00 0.00 32.58 29.10 1wn3 s HIS 39 CO 0.52 -2.57 2.11 0.78 -2.47 0.00 0.00 174.74 173.12 1wn3 h GLY 40 N 2.87 0.00 2.00 1.59 0.00 -1.90 -0.45 103.07 107.18 1wn3 h GLY 40 Ca -0.50 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 1wn3 h GLY 40 CO 0.63 0.00 -0.47 -1.33 0.00 0.00 0.00 176.54 175.38 1wn3 h GLY 41 N 0.00 0.00 0.62 4.60 0.00 -1.94 -2.32 103.07 104.03 1wn3 h GLY 41 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.36 1wn3 h GLY 41 CO -0.00 0.00 -0.16 -2.75 0.00 0.00 0.00 176.54 173.63 1wn3 h PHE 42 N 0.00 0.30 -0.41 5.60 3.57 -1.39 -1.61 116.94 123.00 1wn3 h PHE 42 Ca -0.00 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.34 1wn3 h PHE 42 Cb 0.90 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 1wn3 h PHE 42 CO 0.00 0.76 0.05 -0.07 -2.23 0.00 0.00 178.31 176.81 1wn3 h LEU 43 N -0.24 0.59 -0.19 0.59 3.38 -1.52 -1.96 115.31 115.96 1wn3 h LEU 43 Ca 0.00 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.81 1wn3 h LEU 43 Cb 0.74 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1wn3 h LEU 43 CO 0.03 0.63 -0.09 0.22 0.09 0.00 0.00 178.44 179.33 1wn3 h TYR 44 N 0.61 0.47 -0.83 1.13 5.03 -1.41 -2.43 116.97 119.54 1wn3 h TYR 44 Ca 0.13 -0.11 0.08 0.00 2.58 0.00 0.00 58.73 61.41 1wn3 h TYR 44 Cb 0.32 -0.11 -0.07 0.00 1.55 0.00 0.00 36.73 38.42 1wn3 h TYR 44 CO 0.01 0.70 0.49 0.00 -1.32 0.00 0.00 178.16 178.04 1wn3 h ALA 45 N 0.70 1.16 0.29 1.82 0.00 -1.06 0.66 119.26 122.84 1wn3 h ALA 45 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1wn3 h ALA 45 Cb 0.57 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1wn3 h ALA 45 CO 0.03 0.15 -0.14 1.25 0.00 0.00 0.00 179.25 180.54 1wn3 h LEU 46 N 0.84 -0.33 -0.65 0.00 5.85 -1.27 0.02 115.31 119.78 1wn3 h LEU 46 Ca 0.38 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 59.00 1wn3 h LEU 46 Cb 0.29 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1wn3 h LEU 46 CO -0.22 -0.20 0.06 0.00 -0.34 0.00 0.00 178.44 177.74 1wn3 h ALA 47 N 0.27 0.87 -0.25 1.25 0.00 -0.94 -2.63 119.26 117.82 1wn3 h ALA 47 Ca -0.04 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1wn3 h ALA 47 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1wn3 h ALA 47 CO 0.07 0.67 -0.01 0.22 0.00 0.00 0.00 179.25 180.19 1wn3 h ASP 48 N 1.02 0.35 -0.43 0.00 3.58 0.43 -1.55 116.42 119.82 1wn3 h ASP 48 Ca 0.19 -0.06 -0.08 0.00 0.42 0.00 0.00 57.03 57.50 1wn3 h ASP 48 Cb 0.50 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 1wn3 h ASP 48 CO 0.02 0.43 -0.06 0.28 -2.88 0.00 0.00 179.24 177.03 1wn3 h SER 49 N 0.37 0.79 -0.55 2.28 0.02 -0.63 0.04 113.55 115.86 1wn3 h SER 49 Ca 0.08 -0.34 -0.05 0.00 -0.84 0.00 0.00 61.79 60.64 1wn3 h SER 49 Cb 0.27 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1wn3 h SER 49 CO 0.01 0.94 0.14 0.00 -1.14 0.00 0.00 176.83 176.78 1wn3 h ALA 50 N 0.87 0.73 -0.29 3.77 0.00 -1.21 -1.82 119.26 121.32 1wn3 h ALA 50 Ca 0.11 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1wn3 h ALA 50 Cb 0.57 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1wn3 h ALA 50 CO 0.03 0.43 0.15 0.35 0.00 0.00 0.00 179.25 180.21 1wn3 h PHE 51 N 0.79 0.27 -0.43 0.00 3.57 -1.11 0.88 116.94 120.91 1wn3 h PHE 51 Ca 0.17 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.67 1wn3 h PHE 51 Cb 0.34 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.98 1wn3 h PHE 51 CO 0.02 0.15 0.20 0.00 -2.23 0.00 0.00 178.31 176.46 1wn3 h ALA 52 N 1.15 0.55 -0.12 2.41 0.00 -0.83 -1.52 119.26 120.89 1wn3 h ALA 52 Ca 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1wn3 h ALA 52 Cb 0.03 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1wn3 h ALA 52 CO -0.08 0.11 0.01 -0.07 0.00 0.00 0.00 179.25 179.23 1wn3 h LEU 53 N 0.55 0.21 -0.68 0.00 3.38 -1.09 -2.29 115.31 115.39 1wn3 h LEU 53 Ca 0.15 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1wn3 h LEU 53 Cb 0.12 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 1wn3 h LEU 53 CO -0.02 0.43 0.45 0.00 0.09 0.00 0.00 178.44 179.39 1wn3 h ALA 54 N 0.78 0.87 -0.21 1.53 0.00 -0.76 -2.87 119.26 118.61 1wn3 h ALA 54 Ca 0.04 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1wn3 h ALA 54 Cb 0.32 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1wn3 h ALA 54 CO 0.00 0.27 -0.36 0.66 0.00 0.00 0.00 179.25 179.83 1wn3 h SER 55 N 0.91 0.47 0.11 0.00 4.64 -1.25 -2.99 113.55 115.44 1wn3 h SER 55 Ca 0.25 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1wn3 h SER 55 Cb -0.08 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1wn3 h SER 55 CO -0.06 0.80 0.00 0.59 -0.87 0.00 0.00 176.83 177.28 1wn3 n ASN 56 N -4.05 0.00 0.07 4.97 3.02 -0.86 -2.48 115.26 115.92 1wn3 n ASN 56 Ca -0.01 -0.71 0.12 0.00 -0.03 0.00 0.00 54.58 53.94 1wn3 n ASN 56 Cb 0.47 -0.06 0.46 0.00 -0.61 0.00 0.00 39.78 40.04 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 -1.06 0.62 0.68 3.41 -2.24 -1.13 -2.26 114.28 112.29 1wn3 n THR 57 Ca 0.19 0.03 0.11 0.00 -2.27 0.00 0.00 64.05 62.11 1wn3 n THR 57 Cb 0.12 -0.82 0.13 0.00 -2.10 0.00 0.00 70.33 67.67 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 -1.95 2.20 0.00 -0.78 5.12 -1.04 -4.80 116.66 115.42 1wn3 n ARG 58 Ca 0.04 -1.97 0.00 0.00 -1.93 0.00 0.00 57.85 54.00 1wn3 n ARG 58 Cb 0.30 -1.45 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 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 1.30 1.62 3.69 -0.13 0.00 -0.96 -5.05 105.19 105.67 1wn3 n GLY 59 Ca 0.15 -2.20 -0.44 0.00 0.00 0.00 0.00 46.02 43.52 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 -1.13 2.43 -3.74 1.61 -0.04 -1.26 -4.16 135.00 128.71 1wn3 n PRO 60 Ca 0.00 0.88 -0.13 0.00 -0.04 0.00 0.00 63.50 64.20 1wn3 n PRO 60 Cb 0.00 -2.68 -0.10 0.00 -0.04 0.00 0.00 33.50 30.69 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 0.98 -0.91 0.03 0.55 0.00 -1.26 -1.95 121.76 119.19 1wn3 s ALA 61 Ca 0.77 0.84 0.08 0.00 0.00 0.00 0.00 51.96 53.64 1wn3 s ALA 61 Cb -0.60 -0.38 -0.02 0.00 0.00 0.00 0.00 23.12 22.12 1wn3 s ALA 61 CO 0.36 -0.21 -0.23 0.14 0.00 0.00 0.00 175.76 175.82 1wn3 s VAL 62 N -0.34 1.82 0.26 0.00 -7.23 -0.60 -4.88 120.40 109.43 1wn3 s VAL 62 Ca -0.05 -1.19 -0.31 0.00 -1.81 0.00 0.00 61.98 58.62 1wn3 s VAL 62 Cb -0.03 -1.56 -0.12 0.00 0.56 0.00 0.00 36.38 35.23 1wn3 s VAL 62 CO 0.02 0.32 1.58 0.00 -0.31 0.00 0.00 175.10 176.71 1wn3 n ALA 63 N 2.00 2.18 -0.01 1.32 0.00 -1.26 -1.06 120.51 123.68 1wn3 n ALA 63 Ca -0.17 0.39 -0.02 0.00 0.00 0.00 0.00 53.44 53.65 1wn3 n ALA 63 Cb 0.53 -2.42 -0.01 0.00 0.00 0.00 0.00 19.45 17.55 1wn3 n ALA 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1wn3 n LEU 64 N 2.58 0.57 -3.87 0.00 7.94 -0.42 -4.83 117.00 118.97 1wn3 n LEU 64 Ca 0.11 0.09 -0.19 0.00 -1.11 0.00 0.00 56.01 54.91 1wn3 n LEU 64 Cb 0.34 -0.34 -0.16 0.00 0.53 0.00 0.00 43.42 43.79 1wn3 n LEU 64 CO 0.64 -0.51 -0.40 -0.55 -1.11 0.00 0.00 177.39 175.45 1wn3 s SER 65 N -5.09 0.83 0.01 1.96 0.15 -1.11 -5.02 113.70 105.43 1wn3 s SER 65 Ca -0.05 -0.10 0.04 0.00 0.70 0.00 0.00 55.95 56.54 1wn3 s SER 65 Cb 0.01 -0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 63.91 1wn3 s SER 65 CO 0.07 -0.07 -0.13 0.00 1.20 0.00 0.00 173.24 174.32 1wn3 s ARG 67 N -0.65 2.13 -0.12 0.00 3.52 0.20 -4.97 118.95 119.06 1wn3 s ARG 67 Ca 0.03 -0.89 0.01 0.00 -0.13 0.00 0.00 55.73 54.75 1wn3 s ARG 67 Cb -0.06 -2.00 0.02 0.00 -1.56 0.00 0.00 34.95 31.35 1wn3 s ARG 67 CO 0.00 0.50 -0.14 1.41 -0.81 0.00 0.00 175.30 176.26 1wn3 s MET 68 N -0.49 2.19 -0.26 5.12 -2.45 -1.26 -0.83 119.30 121.32 1wn3 s MET 68 Ca 0.07 -0.54 -0.04 0.00 -1.25 0.00 0.00 55.69 53.93 1wn3 s MET 68 Cb -0.11 -1.94 0.01 0.00 1.25 0.00 0.00 34.83 34.05 1wn3 s MET 68 CO 0.00 -0.14 -0.01 -0.51 1.05 0.00 0.00 175.02 175.41 1wn3 s ASP 69 N 1.22 4.58 -0.08 1.11 1.01 0.36 -4.98 116.67 119.90 1wn3 s ASP 69 Ca -0.02 -0.74 -0.21 0.00 0.71 0.00 0.00 52.55 52.30 1wn3 s ASP 69 Cb -0.14 -1.75 -0.04 0.00 1.01 0.00 0.00 42.92 42.00 1wn3 s ASP 69 CO -0.05 -0.13 0.59 -0.31 0.21 0.00 0.00 175.17 175.47 1wn3 s TYR 70 N 1.41 3.57 -0.01 4.23 2.02 -1.26 -1.16 117.35 126.14 1wn3 s TYR 70 Ca 0.02 1.09 0.00 0.00 -0.37 0.00 0.00 57.07 57.81 1wn3 s TYR 70 Cb -0.16 -2.66 -0.01 0.00 -0.40 0.00 0.00 41.96 38.72 1wn3 s TYR 70 CO -0.02 0.17 -0.01 1.19 -1.57 0.00 0.00 175.55 175.31 1wn3 n PHE 71 N 3.54 0.00 -4.27 2.71 3.72 -0.41 -5.00 117.46 117.75 1wn3 n PHE 71 Ca -0.05 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.17 1wn3 n PHE 71 Cb 0.51 -0.06 -0.15 0.00 -0.94 0.00 0.00 39.48 38.85 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 -2.03 0.68 0.47 -1.08 0.52 -0.83 -5.04 118.95 111.64 1wn3 s ARG 72 Ca -0.02 -0.23 -0.15 0.00 -0.52 0.00 0.00 55.73 54.81 1wn3 s ARG 72 Cb 0.00 -0.66 -0.08 0.00 0.52 0.00 0.00 34.95 34.74 1wn3 s ARG 72 CO 0.04 0.10 0.90 -1.25 0.02 0.00 0.00 175.30 175.11 1wn3 s PRO 73 N 0.09 3.90 0.04 3.54 0.04 -1.26 -4.87 135.00 136.49 1wn3 s PRO 73 Ca -0.01 0.79 0.03 0.00 0.04 0.00 0.00 61.00 61.85 1wn3 s PRO 73 Cb -0.06 -2.23 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 1wn3 s PRO 73 CO -0.00 -0.17 -0.11 -0.51 0.04 0.00 0.00 177.00 176.26 1wn3 s LEU 74 N -3.93 2.20 0.43 -3.56 1.43 -1.26 -5.00 118.68 108.99 1wn3 s LEU 74 Ca 0.56 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 53.26 1wn3 s LEU 74 Cb -0.10 -0.37 -0.01 0.00 0.03 0.00 0.00 46.19 45.74 1wn3 s LEU 74 CO 0.30 -0.08 0.43 -0.83 0.23 0.00 0.00 176.35 176.40 1wn3 s GLY 75 N -1.30 2.11 0.61 -3.19 0.00 -1.26 0.55 107.32 104.83 1wn3 s GLY 75 Ca -0.04 -1.83 -0.19 0.00 0.00 0.00 0.00 44.72 42.66 1wn3 s GLY 75 CO 0.01 -1.68 1.23 0.00 0.00 0.00 0.00 173.10 172.66 1wn3 n ALA 76 N -1.63 1.00 0.00 3.20 0.00 -1.26 -2.60 120.51 119.21 1wn3 n ALA 76 Ca 0.04 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1wn3 n ALA 76 Cb 0.61 -2.28 0.00 0.00 0.00 0.00 0.00 19.45 17.79 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 0.98 2.80 3.71 0.00 0.00 0.86 -4.98 105.19 108.56 1wn3 n GLY 77 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.48 3.51 0.04 4.61 0.00 -1.07 -4.79 121.76 121.57 1wn3 s ALA 78 Ca 0.00 0.99 -0.24 0.00 0.00 0.00 0.00 51.96 52.70 1wn3 s ALA 78 Cb 0.00 -3.50 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 1wn3 s ALA 78 CO 0.00 -0.57 0.75 1.03 0.00 0.00 0.00 175.76 176.97 1wn3 s ARG 79 N 1.20 4.48 0.02 0.00 0.52 -1.26 -1.41 118.95 122.49 1wn3 s ARG 79 Ca 0.62 1.03 0.02 0.00 -0.52 0.00 0.00 55.73 56.88 1wn3 s ARG 79 Cb -0.33 -3.36 -0.02 0.00 0.52 0.00 0.00 34.95 31.76 1wn3 s ARG 79 CO 0.29 0.29 -0.07 0.54 0.02 0.00 0.00 175.30 176.38 1wn3 s VAL 80 N -0.06 0.48 -0.01 3.52 0.11 -0.25 -4.29 120.40 119.91 1wn3 s VAL 80 Ca 0.38 -0.76 0.03 0.00 -2.93 0.00 0.00 61.98 58.69 1wn3 s VAL 80 Cb -0.20 -0.51 -0.00 0.00 -1.53 0.00 0.00 36.38 34.14 1wn3 s VAL 80 CO 0.22 -0.20 -0.09 -1.61 -3.33 0.00 0.00 175.10 170.09 1wn3 s GLU 81 N -1.05 0.76 -0.19 1.54 2.02 -0.18 -1.15 118.70 120.46 1wn3 s GLU 81 Ca -0.06 -0.31 -0.00 0.00 0.02 0.00 0.00 54.97 54.62 1wn3 s GLU 81 Cb -0.07 -0.73 0.01 0.00 0.10 0.00 0.00 34.13 33.44 1wn3 s GLU 81 CO 0.00 0.17 -0.16 0.00 0.02 0.00 0.00 175.26 175.29 1wn3 s ALA 82 N -0.10 2.46 -0.27 5.21 0.00 0.38 -0.73 121.76 128.71 1wn3 s ALA 82 Ca 0.02 -1.20 -0.04 0.00 0.00 0.00 0.00 51.96 50.74 1wn3 s ALA 82 Cb -0.05 -1.31 0.02 0.00 0.00 0.00 0.00 23.12 21.78 1wn3 s ALA 82 CO -0.00 -0.35 0.01 0.50 0.00 0.00 0.00 175.76 175.92 1wn3 s ARG 83 N 1.31 2.93 -0.16 0.00 3.52 -0.64 -1.36 118.95 124.56 1wn3 s ARG 83 Ca 0.05 -0.94 -0.14 0.00 -0.13 0.00 0.00 55.73 54.56 1wn3 s ARG 83 Cb -0.13 -3.19 -0.05 0.00 -1.56 0.00 0.00 34.95 30.02 1wn3 s ARG 83 CO -0.10 -0.44 0.32 0.00 -0.81 0.00 0.00 175.30 174.27 1wn3 s ALA 84 N 1.40 3.57 -0.03 6.12 0.00 -0.18 -2.18 121.76 130.47 1wn3 s ALA 84 Ca 0.01 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 51.59 1wn3 s ALA 84 Cb -0.17 -2.43 -0.00 0.00 0.00 0.00 0.00 23.12 20.52 1wn3 s ALA 84 CO -0.01 0.08 -0.14 0.14 0.00 0.00 0.00 175.76 175.83 1wn3 s VAL 85 N 0.49 1.12 -0.11 0.00 -7.23 0.36 -3.04 120.40 112.00 1wn3 s VAL 85 Ca 0.18 -0.57 -0.30 0.00 -1.81 0.00 0.00 61.98 59.48 1wn3 s VAL 85 Cb -0.13 -0.96 -0.02 0.00 0.56 0.00 0.00 36.38 35.83 1wn3 s VAL 85 CO 0.05 0.33 1.11 -0.70 -0.31 0.00 0.00 175.10 175.58 1wn3 s GLU 86 N -0.06 4.36 -0.06 4.82 2.12 -1.08 -0.81 118.70 127.98 1wn3 s GLU 86 Ca 0.00 1.52 0.15 0.00 0.36 0.00 0.00 54.97 57.01 1wn3 s GLU 86 Cb -0.08 -3.58 -0.23 0.00 0.26 0.00 0.00 34.13 30.50 1wn3 s GLU 86 CO 0.01 -0.44 0.26 1.33 -0.54 0.00 0.00 175.26 175.87 1wn3 n VAL 87 N 4.75 0.31 -3.70 3.70 0.24 -0.37 -4.95 118.33 118.31 1wn3 n VAL 87 Ca 0.11 -0.45 -0.12 0.00 -2.04 0.00 0.00 64.34 61.84 1wn3 n VAL 87 Cb 0.47 -0.09 -0.10 0.00 -1.47 0.00 0.00 33.84 32.65 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 -4.14 -0.55 -0.18 -1.34 2.47 -1.12 -4.98 114.94 105.10 1wn3 s ASN 88 Ca -0.06 0.99 -0.01 0.00 0.42 0.00 0.00 52.86 54.19 1wn3 s ASN 88 Cb 0.08 0.94 0.05 0.00 -1.45 0.00 0.00 41.25 40.87 1wn3 s ASN 88 CO 0.65 -0.18 -0.02 -0.22 -3.72 0.00 0.00 177.10 173.61 1wn3 s LEU 89 N 0.80 1.59 0.46 3.21 2.96 -1.26 -1.16 118.68 125.28 1wn3 s LEU 89 Ca -0.04 -0.80 0.05 0.00 -0.22 0.00 0.00 54.13 53.12 1wn3 s LEU 89 Cb -0.05 -0.82 -0.03 0.00 0.50 0.00 0.00 46.19 45.79 1wn3 s LEU 89 CO -0.06 -0.24 0.17 -0.44 -1.32 0.00 0.00 176.35 174.46 1wn3 s SER 90 N 1.69 4.35 0.33 3.68 0.01 0.89 -5.01 113.70 119.64 1wn3 s SER 90 Ca -0.01 -1.28 0.07 0.00 1.31 0.00 0.00 55.95 56.04 1wn3 s SER 90 Cb -0.17 -0.04 0.59 0.00 0.21 0.00 0.00 66.02 66.62 1wn3 s SER 90 CO -0.07 -0.73 1.80 0.03 0.41 0.00 0.00 173.24 174.68 1wn3 h ARG 91 N 1.29 0.28 0.00 12.44 3.08 -2.00 -3.31 114.38 126.16 1wn3 h ARG 91 Ca -0.42 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 59.54 1wn3 h ARG 91 Cb 1.28 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.30 1wn3 h ARG 91 CO 0.69 0.52 -0.44 0.54 -1.07 0.00 0.00 179.97 180.22 1wn3 n ARG 92 N -4.15 4.28 -3.98 0.04 5.12 -1.26 -4.83 116.66 111.88 1wn3 n ARG 92 Ca -0.01 -0.01 -0.10 0.00 -1.93 0.00 0.00 57.85 55.81 1wn3 n ARG 92 Cb 0.37 -0.83 -0.07 0.00 -1.16 0.00 0.00 32.46 30.77 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 -1.67 0.05 -0.05 0.55 -4.23 -1.25 -0.96 115.64 108.07 1wn3 s THR 93 Ca 0.01 -1.42 -0.22 0.00 -1.18 0.00 0.00 61.69 58.89 1wn3 s THR 93 Cb 0.04 -1.93 0.05 0.00 1.34 0.00 0.00 72.50 71.99 1wn3 s THR 93 CO 0.23 -0.23 0.49 0.00 -0.54 0.00 0.00 174.62 174.57 1wn3 s ALA 94 N -3.99 -1.25 -0.02 3.99 0.00 -1.04 -0.07 121.76 119.38 1wn3 s ALA 94 Ca 0.19 0.89 0.05 0.00 0.00 0.00 0.00 51.96 53.09 1wn3 s ALA 94 Cb 0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.05 1wn3 s ALA 94 CO 0.02 -0.30 -0.18 0.99 0.00 0.00 0.00 175.76 176.29 1wn3 s THR 95 N -1.05 1.40 0.04 0.00 2.01 -0.31 -0.11 115.64 117.62 1wn3 s THR 95 Ca -0.11 -0.75 0.04 0.00 0.31 0.00 0.00 61.69 61.18 1wn3 s THR 95 Cb -0.03 -1.17 -0.02 0.00 0.01 0.00 0.00 72.50 71.29 1wn3 s THR 95 CO 0.06 0.40 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.95 1wn3 s TYR 96 N -0.38 1.12 -0.15 4.92 1.51 0.14 -1.23 117.35 123.28 1wn3 s TYR 96 Ca 0.06 -0.35 -0.05 0.00 -1.01 0.00 0.00 57.07 55.72 1wn3 s TYR 96 Cb -0.07 -0.67 -0.04 0.00 -0.11 0.00 0.00 41.96 41.07 1wn3 s TYR 96 CO -0.00 0.02 0.03 0.50 -1.11 0.00 0.00 175.55 174.98 1wn3 s ARG 97 N -1.11 3.69 -0.13 -0.62 3.52 0.01 -0.97 118.95 123.34 1wn3 s ARG 97 Ca 0.00 -0.40 0.00 0.00 -0.13 0.00 0.00 55.73 55.21 1wn3 s ARG 97 Cb -0.08 -3.05 0.02 0.00 -1.56 0.00 0.00 34.95 30.28 1wn3 s ARG 97 CO 0.01 0.36 -0.12 0.08 -0.81 0.00 0.00 175.30 174.82 1wn3 s VAL 98 N 0.08 1.36 -0.17 7.11 1.01 0.54 -0.48 120.40 129.85 1wn3 s VAL 98 Ca 0.03 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 1wn3 s VAL 98 Cb -0.13 -1.30 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1wn3 s VAL 98 CO 0.01 0.42 0.18 -1.61 0.00 0.00 0.00 175.10 174.10 1wn3 s GLU 99 N 1.45 4.07 -0.30 2.72 2.02 -0.92 -0.38 118.70 127.36 1wn3 s GLU 99 Ca 0.02 -0.12 -0.10 0.00 0.02 0.00 0.00 54.97 54.80 1wn3 s GLU 99 Cb -0.13 -3.38 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 1wn3 s GLU 99 CO -0.08 0.38 0.16 0.08 0.02 0.00 0.00 175.26 175.82 1wn3 s VAL 100 N 0.11 4.76 0.04 2.63 1.01 -0.39 -1.62 120.40 126.95 1wn3 s VAL 100 Ca 0.11 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.90 1wn3 s VAL 100 Cb -0.12 -3.38 -0.03 0.00 0.00 0.00 0.00 36.38 32.86 1wn3 s VAL 100 CO 0.01 0.12 -0.21 -0.69 0.00 0.00 0.00 175.10 174.33 1wn3 s VAL 101 N 1.65 1.69 -0.06 2.92 1.01 0.09 -0.09 120.40 127.61 1wn3 s VAL 101 Ca 0.05 -1.21 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 1wn3 s VAL 101 Cb -0.17 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.78 1wn3 s VAL 101 CO 0.07 0.21 0.11 -0.55 0.00 0.00 0.00 175.10 174.94 1wn3 s SER 102 N -1.19 0.64 -1.48 3.32 0.15 -0.38 -1.01 113.70 113.75 1wn3 s SER 102 Ca 0.08 0.20 -0.03 0.00 0.70 0.00 0.00 55.95 56.90 1wn3 s SER 102 Cb -0.09 0.08 0.02 0.00 -1.71 0.00 0.00 66.02 64.32 1wn3 s SER 102 CO 0.02 -0.21 0.38 -0.62 1.20 0.00 0.00 173.24 174.01 1wn3 n GLU 103 N 4.97 -2.80 -0.85 5.44 -0.58 -1.26 -0.40 120.64 125.17 1wn3 n GLU 103 Ca -0.11 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.97 1wn3 n GLU 103 Cb 0.50 -4.42 0.00 0.00 -0.57 0.00 0.00 31.44 26.95 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 -2.02 0.82 3.71 0.62 0.00 -1.26 -5.01 105.19 102.05 1wn3 n GLY 104 Ca -0.26 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.22 3.64 -0.64 1.61 -0.14 0.47 -5.04 119.74 119.42 1wn3 s LYS 105 Ca 0.00 -0.30 -0.27 0.00 -1.36 0.00 0.00 55.97 54.04 1wn3 s LYS 105 Cb 0.00 -3.12 0.02 0.00 -1.68 0.00 0.00 37.83 33.04 1wn3 s LYS 105 CO 0.00 0.49 1.41 -1.17 -0.76 0.00 0.00 175.35 175.32 1wn3 s LEU 106 N -0.25 3.30 0.10 3.17 2.96 -1.26 -1.25 118.68 125.45 1wn3 s LEU 106 Ca 0.08 0.00 -0.09 0.00 -0.22 0.00 0.00 54.13 53.91 1wn3 s LEU 106 Cb -0.12 -2.80 -0.17 0.00 0.50 0.00 0.00 46.19 43.60 1wn3 s LEU 106 CO 0.01 -1.84 1.24 0.58 -1.32 0.00 0.00 176.35 175.03 1wn3 h VAL 107 N 6.30 1.35 -2.79 1.68 2.07 -0.84 -3.41 116.25 120.61 1wn3 h VAL 107 Ca -0.27 -2.38 0.02 0.00 0.82 0.00 0.00 66.70 64.89 1wn3 h VAL 107 Cb 1.08 2.43 -0.13 0.00 -1.52 0.00 0.00 31.29 33.16 1wn3 h VAL 107 CO 1.22 0.72 0.29 0.00 0.02 0.00 0.00 177.57 179.83 1wn3 s ALA 108 N -3.26 -1.66 -0.12 1.67 0.00 -1.05 -1.29 121.76 116.05 1wn3 s ALA 108 Ca -0.08 0.63 0.01 0.00 0.00 0.00 0.00 51.96 52.53 1wn3 s ALA 108 Cb 0.08 0.75 0.02 0.00 0.00 0.00 0.00 23.12 23.96 1wn3 s ALA 108 CO 0.89 -0.75 -0.16 -1.17 0.00 0.00 0.00 175.76 174.58 1wn3 s LEU 109 N -2.67 1.74 -0.06 0.00 2.96 -0.31 -1.26 118.68 119.09 1wn3 s LEU 109 Ca 0.02 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 1wn3 s LEU 109 Cb -0.01 -1.14 -0.03 0.00 0.50 0.00 0.00 46.19 45.52 1wn3 s LEU 109 CO -0.11 0.00 -0.13 0.12 -1.32 0.00 0.00 176.35 174.91 1wn3 s PHE 110 N 1.08 2.76 -0.08 5.38 2.19 0.49 -0.49 117.98 129.32 1wn3 s PHE 110 Ca -0.04 -0.15 0.01 0.00 0.33 0.00 0.00 56.93 57.08 1wn3 s PHE 110 Cb -0.14 -1.66 0.02 0.00 -1.31 0.00 0.00 43.02 39.92 1wn3 s PHE 110 CO -0.04 0.19 -0.09 0.99 1.83 0.00 0.00 175.22 178.11 1wn3 s THR 111 N -0.67 0.97 0.01 0.12 2.01 -0.01 -0.34 115.64 117.74 1wn3 s THR 111 Ca 0.10 -0.33 -0.02 0.00 0.31 0.00 0.00 61.69 61.75 1wn3 s THR 111 Cb -0.11 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.45 1wn3 s THR 111 CO 0.01 0.33 0.02 -0.83 -0.69 0.00 0.00 174.62 173.47 1wn3 s GLY 112 N 1.11 0.15 -0.06 4.40 0.00 -0.14 0.62 107.32 113.40 1wn3 s GLY 112 Ca -0.07 -0.38 0.04 0.00 0.00 0.00 0.00 44.72 44.32 1wn3 s GLY 112 CO -0.01 -0.46 -0.19 -1.59 0.00 0.00 0.00 173.10 170.85 1wn3 s THR 113 N -1.24 1.60 0.29 0.90 2.01 -0.20 0.28 115.64 119.28 1wn3 s THR 113 Ca -0.14 -0.80 0.09 0.00 0.31 0.00 0.00 61.69 61.15 1wn3 s THR 113 Cb -0.08 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1wn3 s THR 113 CO -0.00 0.46 0.10 0.68 -0.69 0.00 0.00 174.62 175.16 1wn3 s VAL 114 N 0.10 3.51 -0.21 3.82 -7.23 0.85 -1.30 120.40 119.93 1wn3 s VAL 114 Ca -0.07 -1.71 -0.05 0.00 -1.81 0.00 0.00 61.98 58.34 1wn3 s VAL 114 Cb -0.13 -3.02 -0.02 0.00 0.56 0.00 0.00 36.38 33.77 1wn3 s VAL 114 CO 0.03 -0.30 -0.00 0.12 -0.31 0.00 0.00 175.10 174.65 1wn3 s PHE 115 N -2.32 3.03 -0.55 2.82 2.19 -0.22 -2.49 117.98 120.45 1wn3 s PHE 115 Ca 0.34 -0.54 -0.22 0.00 0.33 0.00 0.00 56.93 56.84 1wn3 s PHE 115 Cb -0.05 -2.10 0.05 0.00 -1.31 0.00 0.00 43.02 39.60 1wn3 s PHE 115 CO 0.22 -0.31 0.83 1.03 1.83 0.00 0.00 175.22 178.83 1wn3 s ARG 116 N 1.15 3.23 0.00 10.12 0.52 -0.14 -1.56 118.95 132.28 1wn3 s ARG 116 Ca 0.03 -0.55 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 1wn3 s ARG 116 Cb -0.14 -4.09 0.00 0.00 0.52 0.00 0.00 34.95 31.24 1wn3 s ARG 116 CO 0.01 -1.43 0.43 1.28 0.02 0.00 0.00 175.30 175.61