#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wn3 h PRO 4 N 0.00 -0.05 -0.69 -0.67 0.11 -2.05 -2.32 132.00 126.33 1wn3 h PRO 4 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 1wn3 h PRO 4 Cb 0.00 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.09 1wn3 h PRO 4 CO 0.00 -0.03 0.35 0.35 -0.21 0.00 0.00 178.00 178.46 1wn3 h PHE 5 N -0.05 0.98 -0.76 0.65 3.57 -2.04 -1.40 116.94 117.90 1wn3 h PHE 5 Ca 0.22 -0.04 0.05 0.00 3.53 0.00 0.00 57.97 61.73 1wn3 h PHE 5 Cb 0.38 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 38.76 1wn3 h PHE 5 CO -0.42 0.72 0.46 0.52 -2.23 0.00 0.00 178.31 177.36 1wn3 h MET 6 N 0.96 0.83 -0.72 1.11 2.86 -1.85 -1.00 114.93 117.13 1wn3 h MET 6 Ca 0.24 -0.05 -0.06 0.00 -2.06 0.00 0.00 59.70 57.77 1wn3 h MET 6 Cb 0.09 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 31.53 1wn3 h MET 6 CO -0.03 0.55 0.22 0.93 1.06 0.00 0.00 176.91 179.64 1wn3 h GLU 7 N 0.86 1.12 -0.48 1.72 5.08 -0.91 -1.16 114.58 120.82 1wn3 h GLU 7 Ca 0.33 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1wn3 h GLU 7 Cb 0.13 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1wn3 h GLU 7 CO -0.16 0.96 0.03 0.00 -1.00 0.00 0.00 179.01 178.85 1wn3 h ALA 8 N 1.11 1.16 0.00 3.43 0.00 -0.50 -2.00 119.26 122.46 1wn3 h ALA 8 Ca 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1wn3 h ALA 8 Cb 0.31 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1wn3 h ALA 8 CO -0.01 0.55 0.00 1.28 0.00 0.00 0.00 179.25 181.07 1wn3 n LEU 9 N -4.24 0.00 -0.10 0.00 4.77 -0.45 -4.90 117.00 112.08 1wn3 n LEU 9 Ca 0.03 0.49 -0.01 0.00 -0.03 0.00 0.00 56.01 56.48 1wn3 n LEU 9 Cb 0.28 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1wn3 n LEU 9 CO 0.41 -0.06 -0.01 0.61 -1.33 0.00 0.00 177.39 177.01 1wn3 n GLY 10 N 1.13 0.45 3.79 -0.72 0.00 -0.75 -4.80 105.19 104.28 1wn3 n GLY 10 Ca 0.07 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.29 4.22 0.03 0.99 1.43 -0.49 -4.63 118.68 119.94 1wn3 s LEU 11 Ca 0.00 1.82 0.07 0.00 -1.03 0.00 0.00 54.13 54.99 1wn3 s LEU 11 Cb 0.00 -4.16 -0.02 0.00 0.03 0.00 0.00 46.19 42.03 1wn3 s LEU 11 CO 0.00 -0.18 -0.21 -0.54 0.23 0.00 0.00 176.35 175.66 1wn3 s LYS 12 N -2.38 1.45 -0.30 1.70 -0.14 0.86 -4.65 119.74 116.29 1wn3 s LYS 12 Ca 0.54 -0.91 -0.20 0.00 -1.36 0.00 0.00 55.97 54.03 1wn3 s LYS 12 Cb -0.16 -1.54 -0.01 0.00 -1.68 0.00 0.00 37.83 34.44 1wn3 s LYS 12 CO 0.21 0.40 0.62 0.08 -0.76 0.00 0.00 175.35 175.90 1wn3 s VAL 13 N -0.75 4.95 -0.13 3.17 1.01 -1.26 -0.24 120.40 127.15 1wn3 s VAL 13 Ca 0.08 0.88 0.18 0.00 0.00 0.00 0.00 61.98 63.12 1wn3 s VAL 13 Cb -0.09 -3.98 -0.23 0.00 0.00 0.00 0.00 36.38 32.09 1wn3 s VAL 13 CO 0.01 -0.11 0.48 0.18 0.00 0.00 0.00 175.10 175.66 1wn3 n LEU 14 N 5.84 0.36 -3.65 3.92 4.77 0.09 -4.98 117.00 123.34 1wn3 n LEU 14 Ca -0.01 0.16 -0.14 0.00 -0.03 0.00 0.00 56.01 55.98 1wn3 n LEU 14 Cb 0.49 0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 41.71 1wn3 n LEU 14 CO 0.45 0.24 0.31 -2.28 -1.33 0.00 0.00 177.39 174.78 1wn3 s HIS 15 N -2.91 -0.65 -0.13 -1.77 5.04 -1.10 -4.95 115.29 108.82 1wn3 s HIS 15 Ca -0.07 1.52 -0.06 0.00 -1.54 0.00 0.00 55.06 54.91 1wn3 s HIS 15 Cb 0.09 0.25 0.06 0.00 0.04 0.00 0.00 32.58 33.01 1wn3 s HIS 15 CO 0.84 -0.36 0.31 -1.17 -2.34 0.00 0.00 174.74 172.02 1wn3 s LEU 16 N 0.06 0.08 0.26 8.88 2.96 -1.26 -0.75 118.68 128.91 1wn3 s LEU 16 Ca -0.02 0.68 -0.16 0.00 -0.22 0.00 0.00 54.13 54.41 1wn3 s LEU 16 Cb -0.04 0.96 0.01 0.00 0.50 0.00 0.00 46.19 47.62 1wn3 s LEU 16 CO 0.02 -0.19 0.59 0.00 -1.32 0.00 0.00 176.35 175.45 1wn3 s ALA 17 N 1.57 -0.66 -0.18 5.97 0.00 -0.70 -5.01 121.76 122.75 1wn3 s ALA 17 Ca -0.07 -0.64 -0.37 0.00 0.00 0.00 0.00 51.96 50.88 1wn3 s ALA 17 Cb -0.10 0.97 -0.13 0.00 0.00 0.00 0.00 23.12 23.86 1wn3 s ALA 17 CO -0.10 -0.94 1.84 -2.30 0.00 0.00 0.00 175.76 174.27 1wn3 n PRO 18 N -0.42 1.70 -1.29 0.00 -0.02 -1.26 -1.47 135.00 132.25 1wn3 n PRO 18 Ca -0.03 0.62 -0.10 0.00 -2.02 0.00 0.00 63.50 61.97 1wn3 n PRO 18 Cb 0.61 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.63 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 4.43 1.12 3.42 -1.23 0.00 -1.25 -4.99 105.19 106.68 1wn3 n GLY 19 Ca 0.25 -0.39 -0.14 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.69 1.09 -0.02 1.61 -1.05 -0.54 -2.22 118.70 114.88 1wn3 s GLU 20 Ca 0.00 -0.21 -0.29 0.00 -0.15 0.00 0.00 54.97 54.33 1wn3 s GLU 20 Cb 0.00 0.50 0.09 0.00 -0.44 0.00 0.00 34.13 34.28 1wn3 s GLU 20 CO 0.00 -0.41 0.77 0.00 0.95 0.00 0.00 175.26 176.57 1wn3 s ALA 21 N -2.53 -1.78 -0.09 -0.84 0.00 -1.04 -1.72 121.76 113.76 1wn3 s ALA 21 Ca -0.05 1.15 0.01 0.00 0.00 0.00 0.00 51.96 53.08 1wn3 s ALA 21 Cb -0.01 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.23 1wn3 s ALA 21 CO -0.02 -0.49 -0.10 0.08 0.00 0.00 0.00 175.76 175.22 1wn3 s VAL 22 N -2.04 1.06 -0.04 0.00 1.01 0.07 -0.84 120.40 119.61 1wn3 s VAL 22 Ca -0.04 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.63 1wn3 s VAL 22 Cb -0.00 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.35 1wn3 s VAL 22 CO -0.00 0.35 -0.23 -0.69 0.00 0.00 0.00 175.10 174.53 1wn3 s VAL 23 N 1.13 1.89 0.15 2.92 1.01 -0.73 -0.73 120.40 126.03 1wn3 s VAL 23 Ca -0.06 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.02 1wn3 s VAL 23 Cb -0.14 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 1wn3 s VAL 23 CO -0.02 0.53 -0.22 0.00 0.00 0.00 0.00 175.10 175.40 1wn3 s ALA 24 N -0.34 2.11 0.34 5.51 0.00 0.66 -0.07 121.76 129.97 1wn3 s ALA 24 Ca 0.03 -1.44 -0.17 0.00 0.00 0.00 0.00 51.96 50.38 1wn3 s ALA 24 Cb -0.11 -0.26 0.04 0.00 0.00 0.00 0.00 23.12 22.78 1wn3 s ALA 24 CO 0.01 0.36 0.74 0.20 0.00 0.00 0.00 175.76 177.07 1wn3 s GLY 25 N -2.34 0.28 0.01 0.00 0.00 -0.04 -0.10 107.32 105.13 1wn3 s GLY 25 Ca 0.14 -0.65 0.06 0.00 0.00 0.00 0.00 44.72 44.27 1wn3 s GLY 25 CO 0.06 -0.28 -0.19 1.85 0.00 0.00 0.00 173.10 174.55 1wn3 s GLU 26 N -2.94 1.38 -0.77 2.90 2.12 -1.26 -1.30 118.70 118.83 1wn3 s GLU 26 Ca 0.15 -0.76 -0.26 0.00 0.36 0.00 0.00 54.97 54.46 1wn3 s GLU 26 Cb -0.05 -1.39 0.03 0.00 0.26 0.00 0.00 34.13 32.98 1wn3 s GLU 26 CO 0.10 0.37 1.36 0.08 -0.54 0.00 0.00 175.26 176.63 1wn3 s VAL 27 N -0.60 3.71 0.74 3.70 1.01 -0.03 -4.96 120.40 123.98 1wn3 s VAL 27 Ca 0.06 0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.19 1wn3 s VAL 27 Cb -0.08 -4.85 0.06 0.00 0.00 0.00 0.00 36.38 31.52 1wn3 s VAL 27 CO 0.00 -1.78 1.07 -0.13 0.00 0.00 0.00 175.10 174.26 1wn3 s ARG 28 N 5.76 2.15 0.43 2.72 0.52 -1.26 0.55 118.95 129.82 1wn3 s ARG 28 Ca 0.39 -0.10 0.11 0.00 -0.52 0.00 0.00 55.73 55.61 1wn3 s ARG 28 Cb -0.07 -2.09 0.97 0.00 0.52 0.00 0.00 34.95 34.28 1wn3 s ARG 28 CO 0.12 -1.35 2.05 0.00 0.02 0.00 0.00 175.30 176.14 1wn3 h ALA 29 N -0.75 1.85 0.00 2.13 0.00 -1.97 -0.47 119.26 120.04 1wn3 h ALA 29 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1wn3 h ALA 29 Cb 1.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1wn3 h ALA 29 CO 0.62 0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.56 1wn3 n ASP 30 N -4.48 0.00 -0.73 0.00 5.75 -1.26 -2.98 116.55 112.85 1wn3 n ASP 30 Ca 0.05 -1.30 0.09 0.00 -0.01 0.00 0.00 54.79 53.62 1wn3 n ASP 30 Cb 0.17 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.35 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 -0.84 0.08 -2.59 2.11 8.25 -0.19 -5.01 115.22 117.03 1wn3 n HIS 31 Ca 0.16 -0.05 -0.30 0.00 -0.26 0.00 0.00 57.72 57.27 1wn3 n HIS 31 Cb 0.07 -0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 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 -1.40 3.66 0.00 2.41 1.43 -1.16 -0.11 118.68 123.50 1wn3 s LEU 32 Ca 0.22 1.18 0.03 0.00 -1.03 0.00 0.00 54.13 54.53 1wn3 s LEU 32 Cb 0.15 -4.11 0.03 0.00 0.03 0.00 0.00 46.19 42.29 1wn3 s LEU 32 CO 0.22 -0.54 0.25 -0.46 0.23 0.00 0.00 176.35 176.05 1wn3 n ASN 33 N -1.81 0.62 0.21 2.29 0.23 0.44 -4.60 115.26 112.64 1wn3 n ASN 33 Ca 0.03 -1.45 0.15 0.00 -0.53 0.00 0.00 54.58 52.77 1wn3 n ASN 33 Cb 0.54 -0.13 0.71 0.00 -2.08 0.00 0.00 39.78 38.82 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 -0.89 -4.53 4.07 -1.99 -1.93 115.31 110.04 1wn3 h LEU 34 Ca -0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1wn3 h LEU 34 Cb 0.38 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.12 1wn3 h LEU 34 CO 0.12 0.00 -0.23 1.41 -1.08 0.00 0.00 178.44 178.66 1wn3 n HIS 35 N -2.54 0.00 -0.77 1.13 8.25 -1.26 -4.95 115.22 115.08 1wn3 n HIS 35 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1wn3 n HIS 35 Cb 0.13 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.19 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 1.33 0.58 3.57 -1.41 0.00 -0.73 -5.06 105.19 103.48 1wn3 n GLY 36 Ca 0.13 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 2.47 0.11 2.61 -4.23 -1.26 -4.51 115.64 108.83 1wn3 s THR 37 Ca 0.00 -2.13 -0.36 0.00 -1.18 0.00 0.00 61.69 58.03 1wn3 s THR 37 Cb 0.00 -2.67 -0.16 0.00 1.34 0.00 0.00 72.50 71.01 1wn3 s THR 37 CO 0.00 -0.23 1.39 0.00 -0.54 0.00 0.00 174.62 175.24 1wn3 n ALA 38 N -0.84 -0.37 -1.79 3.99 0.00 0.95 -0.42 120.51 122.02 1wn3 n ALA 38 Ca -0.05 0.50 -0.41 0.00 0.00 0.00 0.00 53.44 53.48 1wn3 n ALA 38 Cb 0.62 -2.14 -0.02 0.00 0.00 0.00 0.00 19.45 17.91 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 0.54 3.03 0.46 0.00 2.46 0.84 -4.64 115.29 117.98 1wn3 s HIS 39 Ca 0.82 1.35 0.17 0.00 0.47 0.00 0.00 55.06 57.87 1wn3 s HIS 39 Cb -0.88 -3.71 1.14 0.00 -0.13 0.00 0.00 32.58 29.00 1wn3 s HIS 39 CO 0.45 -2.02 1.99 0.78 -2.47 0.00 0.00 174.74 173.48 1wn3 h GLY 40 N 3.64 0.40 1.93 1.59 0.00 -1.89 -0.87 103.07 107.87 1wn3 h GLY 40 Ca -0.48 -0.12 -0.11 0.00 0.00 0.00 0.00 47.33 46.62 1wn3 h GLY 40 CO 0.67 0.07 -0.50 -1.33 0.00 0.00 0.00 176.54 175.45 1wn3 h GLY 41 N 0.28 0.08 0.61 4.60 0.00 -1.95 -1.89 103.07 104.81 1wn3 h GLY 41 Ca 0.26 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.45 1wn3 h GLY 41 CO -0.06 0.08 -0.14 -2.75 0.00 0.00 0.00 176.54 173.67 1wn3 h PHE 42 N 0.06 0.28 -0.97 5.60 3.57 -1.48 0.19 116.94 124.19 1wn3 h PHE 42 Ca -0.00 -0.10 0.05 0.00 3.53 0.00 0.00 57.97 61.45 1wn3 h PHE 42 Cb 0.91 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.54 1wn3 h PHE 42 CO 0.01 0.74 0.63 -0.07 -2.23 0.00 0.00 178.31 177.39 1wn3 h LEU 43 N -0.26 1.02 -0.32 0.59 3.38 -1.46 -0.95 115.31 117.31 1wn3 h LEU 43 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 1wn3 h LEU 43 Cb 0.73 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1wn3 h LEU 43 CO 0.03 0.68 -0.14 0.22 0.09 0.00 0.00 178.44 179.32 1wn3 h TYR 44 N 1.18 0.76 -0.81 1.13 5.03 -1.26 -2.42 116.97 120.57 1wn3 h TYR 44 Ca 0.40 -0.18 0.05 0.00 2.58 0.00 0.00 58.73 61.58 1wn3 h TYR 44 Cb 0.09 -0.18 -0.05 0.00 1.55 0.00 0.00 36.73 38.14 1wn3 h TYR 44 CO -0.01 0.87 0.51 0.00 -1.32 0.00 0.00 178.16 178.21 1wn3 h ALA 45 N 0.77 1.09 0.37 1.82 0.00 -0.30 0.46 119.26 123.48 1wn3 h ALA 45 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1wn3 h ALA 45 Cb 0.66 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1wn3 h ALA 45 CO 0.04 0.28 -0.19 1.25 0.00 0.00 0.00 179.25 180.64 1wn3 h LEU 46 N 0.96 -0.46 -0.29 0.00 5.85 -1.10 0.03 115.31 120.31 1wn3 h LEU 46 Ca 0.34 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1wn3 h LEU 46 Cb 0.09 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 1wn3 h LEU 46 CO -0.14 -0.32 0.19 0.00 -0.34 0.00 0.00 178.44 177.83 1wn3 h ALA 47 N 0.11 0.37 -0.80 1.25 0.00 -1.04 -2.38 119.26 116.77 1wn3 h ALA 47 Ca -0.05 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1wn3 h ALA 47 Cb 0.40 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.02 1wn3 h ALA 47 CO 0.07 -0.15 0.52 0.22 0.00 0.00 0.00 179.25 179.91 1wn3 h ASP 48 N 0.39 0.66 -0.08 0.00 3.58 0.08 0.30 116.42 121.35 1wn3 h ASP 48 Ca 0.11 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 1wn3 h ASP 48 Cb -0.03 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 40.90 1wn3 h ASP 48 CO -0.02 0.39 0.01 0.28 -2.88 0.00 0.00 179.24 177.02 1wn3 h SER 49 N 0.73 0.14 -0.95 2.28 0.02 -0.50 0.17 113.55 115.43 1wn3 h SER 49 Ca 0.37 -0.29 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 1wn3 h SER 49 Cb 0.45 -0.04 -0.05 0.00 0.14 0.00 0.00 62.40 62.91 1wn3 h SER 49 CO -0.14 0.39 0.63 0.00 -1.14 0.00 0.00 176.83 176.57 1wn3 h ALA 50 N 0.75 1.22 -0.07 3.77 0.00 -0.99 0.09 119.26 124.03 1wn3 h ALA 50 Ca 0.02 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1wn3 h ALA 50 Cb 0.32 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1wn3 h ALA 50 CO 0.00 0.57 0.02 0.35 0.00 0.00 0.00 179.25 180.19 1wn3 h PHE 51 N 1.26 0.03 -0.18 0.00 3.57 -0.74 -0.46 116.94 120.43 1wn3 h PHE 51 Ca 0.36 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.87 1wn3 h PHE 51 Cb -0.10 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1wn3 h PHE 51 CO -0.01 0.02 0.09 0.00 -2.23 0.00 0.00 178.31 176.18 1wn3 h ALA 52 N 1.05 0.22 -0.34 2.41 0.00 0.15 -1.19 119.26 121.56 1wn3 h ALA 52 Ca 0.03 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 1wn3 h ALA 52 Cb 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1wn3 h ALA 52 CO -0.04 -0.33 0.11 -0.07 0.00 0.00 0.00 179.25 178.92 1wn3 h LEU 53 N 0.19 0.49 -0.44 0.00 3.38 -0.87 -1.68 115.31 116.37 1wn3 h LEU 53 Ca 0.07 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1wn3 h LEU 53 Cb 0.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1wn3 h LEU 53 CO -0.05 0.55 0.18 0.00 0.09 0.00 0.00 178.44 179.21 1wn3 h ALA 54 N 0.95 0.57 -0.21 1.53 0.00 -0.97 -2.85 119.26 118.28 1wn3 h ALA 54 Ca 0.11 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 1wn3 h ALA 54 Cb 0.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1wn3 h ALA 54 CO -0.01 0.18 -0.38 0.66 0.00 0.00 0.00 179.25 179.71 1wn3 h SER 55 N 0.57 0.50 0.16 0.00 4.64 -1.19 -3.01 113.55 115.23 1wn3 h SER 55 Ca 0.15 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1wn3 h SER 55 Cb 0.19 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1wn3 h SER 55 CO -0.01 0.83 0.00 0.59 -0.87 0.00 0.00 176.83 177.37 1wn3 n ASN 56 N -4.04 0.00 0.12 4.97 3.02 -0.64 -2.59 115.26 116.10 1wn3 n ASN 56 Ca -0.01 -0.70 0.13 0.00 -0.03 0.00 0.00 54.58 53.96 1wn3 n ASN 56 Cb 0.49 -0.08 0.43 0.00 -0.61 0.00 0.00 39.78 40.01 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 -1.08 0.68 1.21 3.41 -2.24 -1.09 -2.22 114.28 112.95 1wn3 n THR 57 Ca 0.20 -0.12 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 1wn3 n THR 57 Cb 0.14 -0.78 0.27 0.00 -2.10 0.00 0.00 70.33 67.86 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 -2.29 1.48 0.00 -0.78 5.12 -1.07 -4.79 116.66 114.33 1wn3 n ARG 58 Ca 0.04 -1.05 0.00 0.00 -1.93 0.00 0.00 57.85 54.91 1wn3 n ARG 58 Cb 0.37 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 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 1.31 2.36 3.66 -0.13 0.00 -0.94 -5.04 105.19 106.41 1wn3 n GLY 59 Ca 0.14 -2.13 -0.52 0.00 0.00 0.00 0.00 46.02 43.51 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 1.56 -3.76 1.61 -0.04 -1.26 -4.21 135.00 127.76 1wn3 n PRO 60 Ca 0.00 0.57 -0.13 0.00 -0.04 0.00 0.00 63.50 63.90 1wn3 n PRO 60 Cb 0.00 -2.29 -0.10 0.00 -0.04 0.00 0.00 33.50 31.07 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 2.24 -0.79 0.04 0.55 0.00 -1.26 -0.69 121.76 121.85 1wn3 s ALA 61 Ca 0.89 0.75 0.08 0.00 0.00 0.00 0.00 51.96 53.69 1wn3 s ALA 61 Cb -0.88 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 21.83 1wn3 s ALA 61 CO 0.52 -0.18 -0.24 0.14 0.00 0.00 0.00 175.76 176.00 1wn3 s VAL 62 N -0.21 1.95 0.31 0.00 -7.23 -0.74 -4.84 120.40 109.65 1wn3 s VAL 62 Ca -0.04 -1.29 -0.29 0.00 -1.81 0.00 0.00 61.98 58.56 1wn3 s VAL 62 Cb -0.03 -1.67 -0.11 0.00 0.56 0.00 0.00 36.38 35.13 1wn3 s VAL 62 CO 0.01 0.33 1.48 0.00 -0.31 0.00 0.00 175.10 176.61 1wn3 s ALA 63 N -0.77 3.63 -0.02 1.32 0.00 -1.26 -0.12 121.76 124.53 1wn3 s ALA 63 Ca 0.10 1.46 -0.07 0.00 0.00 0.00 0.00 51.96 53.45 1wn3 s ALA 63 Cb -0.09 -3.59 -0.03 0.00 0.00 0.00 0.00 23.12 19.41 1wn3 s ALA 63 CO 0.02 -0.89 -0.14 1.28 0.00 0.00 0.00 175.76 176.02 1wn3 n LEU 64 N 1.50 1.42 -3.75 0.00 4.32 0.08 -4.82 117.00 115.75 1wn3 n LEU 64 Ca 0.04 0.21 -0.17 0.00 -0.02 0.00 0.00 56.01 56.08 1wn3 n LEU 64 Cb 0.39 -0.49 -0.17 0.00 -1.62 0.00 0.00 43.42 41.53 1wn3 n LEU 64 CO 0.62 -0.51 -0.35 -0.55 -1.22 0.00 0.00 177.39 175.38 1wn3 s SER 65 N -5.97 0.39 0.03 -1.43 0.15 -1.12 -5.02 113.70 100.74 1wn3 s SER 65 Ca -0.12 0.04 0.05 0.00 0.70 0.00 0.00 55.95 56.61 1wn3 s SER 65 Cb 0.02 -0.12 -0.02 0.00 -1.71 0.00 0.00 66.02 64.20 1wn3 s SER 65 CO 0.18 -0.15 -0.14 0.00 1.20 0.00 0.00 173.24 174.32 1wn3 s ARG 67 N -0.93 1.49 -0.09 0.00 3.52 0.11 -4.99 118.95 118.06 1wn3 s ARG 67 Ca 0.03 -0.89 -0.01 0.00 -0.13 0.00 0.00 55.73 54.72 1wn3 s ARG 67 Cb -0.07 -1.56 0.03 0.00 -1.56 0.00 0.00 34.95 31.78 1wn3 s ARG 67 CO 0.01 0.41 -0.03 1.41 -0.81 0.00 0.00 175.30 176.28 1wn3 s MET 68 N -0.99 1.02 -0.25 5.12 -2.45 -1.26 -1.23 119.30 119.26 1wn3 s MET 68 Ca 0.08 -0.06 -0.04 0.00 -1.25 0.00 0.00 55.69 54.43 1wn3 s MET 68 Cb -0.09 -1.24 0.01 0.00 1.25 0.00 0.00 34.83 34.76 1wn3 s MET 68 CO 0.01 -0.28 -0.02 -0.51 1.05 0.00 0.00 175.02 175.27 1wn3 s ASP 69 N 1.83 4.48 -0.18 1.11 1.01 0.34 -4.98 116.67 120.28 1wn3 s ASP 69 Ca 0.05 -0.66 -0.17 0.00 0.71 0.00 0.00 52.55 52.47 1wn3 s ASP 69 Cb -0.12 -1.74 -0.04 0.00 1.01 0.00 0.00 42.92 42.03 1wn3 s ASP 69 CO -0.06 -0.10 0.46 -0.31 0.21 0.00 0.00 175.17 175.36 1wn3 s TYR 70 N 1.42 3.41 -0.12 4.23 2.02 -1.26 -0.83 117.35 126.22 1wn3 s TYR 70 Ca 0.03 0.74 0.04 0.00 -0.37 0.00 0.00 57.07 57.51 1wn3 s TYR 70 Cb -0.16 -2.58 -0.10 0.00 -0.40 0.00 0.00 41.96 38.72 1wn3 s TYR 70 CO -0.03 0.01 -0.06 1.19 -1.57 0.00 0.00 175.55 175.10 1wn3 n PHE 71 N 4.35 0.00 -4.02 2.71 3.72 -0.00 -5.00 117.46 119.22 1wn3 n PHE 71 Ca -0.07 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.23 1wn3 n PHE 71 Cb 0.51 -0.51 -0.11 0.00 -0.94 0.00 0.00 39.48 38.43 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 -2.26 0.41 0.28 -1.08 0.52 -0.93 -5.05 118.95 110.84 1wn3 s ARG 72 Ca -0.13 -0.70 -0.06 0.00 -0.52 0.00 0.00 55.73 54.32 1wn3 s ARG 72 Cb 0.04 -0.04 -0.06 0.00 0.52 0.00 0.00 34.95 35.42 1wn3 s ARG 72 CO 0.35 -0.02 0.56 -1.25 0.02 0.00 0.00 175.30 174.97 1wn3 s PRO 73 N -1.65 3.67 0.01 3.54 0.04 -1.26 -4.86 135.00 134.48 1wn3 s PRO 73 Ca -0.12 0.07 0.06 0.00 0.04 0.00 0.00 61.00 61.05 1wn3 s PRO 73 Cb -0.09 -2.64 -0.02 0.00 0.04 0.00 0.00 34.50 31.80 1wn3 s PRO 73 CO -0.01 0.22 -0.20 -0.51 0.04 0.00 0.00 177.00 176.54 1wn3 s LEU 74 N -3.44 2.10 0.51 -3.56 1.43 -1.26 -5.00 118.68 109.46 1wn3 s LEU 74 Ca 0.45 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.15 1wn3 s LEU 74 Cb -0.11 -0.97 0.02 0.00 0.03 0.00 0.00 46.19 45.17 1wn3 s LEU 74 CO 0.29 0.20 0.71 -0.83 0.23 0.00 0.00 176.35 176.94 1wn3 s GLY 75 N -0.79 1.82 0.36 -3.19 0.00 -1.26 -0.04 107.32 104.23 1wn3 s GLY 75 Ca 0.07 -1.38 -0.28 0.00 0.00 0.00 0.00 44.72 43.13 1wn3 s GLY 75 CO 0.00 -1.13 1.52 0.00 0.00 0.00 0.00 173.10 173.49 1wn3 s ALA 76 N -2.64 3.62 0.00 3.20 0.00 -1.26 -2.33 121.76 122.34 1wn3 s ALA 76 Ca 0.56 1.59 0.00 0.00 0.00 0.00 0.00 51.96 54.11 1wn3 s ALA 76 Cb -0.10 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1wn3 s ALA 76 CO 0.37 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.48 1wn3 n GLY 77 N 0.82 1.77 3.75 0.00 0.00 0.19 -5.00 105.19 106.72 1wn3 n GLY 77 Ca 0.03 0.00 -0.41 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 -2.39 3.63 -0.01 4.61 0.00 -0.99 -4.65 121.76 121.97 1wn3 s ALA 78 Ca 0.00 1.37 -0.19 0.00 0.00 0.00 0.00 51.96 53.14 1wn3 s ALA 78 Cb 0.00 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 1wn3 s ALA 78 CO 0.00 -0.78 0.54 1.03 0.00 0.00 0.00 175.76 176.55 1wn3 s ARG 79 N -0.63 4.24 0.01 0.00 0.52 -1.26 -0.85 118.95 120.98 1wn3 s ARG 79 Ca 0.58 0.64 -0.04 0.00 -0.52 0.00 0.00 55.73 56.40 1wn3 s ARG 79 Cb -0.43 -3.32 -0.01 0.00 0.52 0.00 0.00 34.95 31.71 1wn3 s ARG 79 CO 0.46 0.43 0.06 0.54 0.02 0.00 0.00 175.30 176.80 1wn3 s VAL 80 N -0.34 0.10 0.08 3.52 0.11 -0.42 -4.10 120.40 119.36 1wn3 s VAL 80 Ca 0.29 -0.82 0.04 0.00 -2.93 0.00 0.00 61.98 58.56 1wn3 s VAL 80 Cb -0.18 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.26 1wn3 s VAL 80 CO 0.16 -0.45 -0.12 -1.61 -3.33 0.00 0.00 175.10 169.75 1wn3 s GLU 81 N -1.50 0.81 -0.20 1.54 2.02 0.08 -0.86 118.70 120.60 1wn3 s GLU 81 Ca -0.15 -1.04 -0.00 0.00 0.02 0.00 0.00 54.97 53.80 1wn3 s GLU 81 Cb -0.08 -0.65 0.02 0.00 0.10 0.00 0.00 34.13 33.51 1wn3 s GLU 81 CO 0.00 0.13 -0.15 0.00 0.02 0.00 0.00 175.26 175.26 1wn3 s ALA 82 N -1.83 2.48 -0.35 5.21 0.00 0.89 -0.81 121.76 127.35 1wn3 s ALA 82 Ca 0.01 -1.26 -0.07 0.00 0.00 0.00 0.00 51.96 50.64 1wn3 s ALA 82 Cb -0.07 -1.36 0.04 0.00 0.00 0.00 0.00 23.12 21.73 1wn3 s ALA 82 CO 0.01 -0.45 0.13 1.03 0.00 0.00 0.00 175.76 176.48 1wn3 s ARG 83 N 1.32 2.63 -0.17 0.00 0.52 0.21 -1.78 118.95 121.69 1wn3 s ARG 83 Ca 0.04 -1.20 -0.08 0.00 -0.52 0.00 0.00 55.73 53.96 1wn3 s ARG 83 Cb -0.14 -3.52 -0.04 0.00 0.52 0.00 0.00 34.95 31.76 1wn3 s ARG 83 CO -0.10 -0.70 0.12 0.00 0.02 0.00 0.00 175.30 174.64 1wn3 s ALA 84 N 1.42 3.70 0.01 2.13 0.00 -0.02 -1.31 121.76 127.69 1wn3 s ALA 84 Ca -0.01 -0.68 0.01 0.00 0.00 0.00 0.00 51.96 51.28 1wn3 s ALA 84 Cb -0.20 -2.04 -0.01 0.00 0.00 0.00 0.00 23.12 20.87 1wn3 s ALA 84 CO 0.03 0.34 -0.05 0.14 0.00 0.00 0.00 175.76 176.22 1wn3 s VAL 85 N -0.17 0.38 0.14 0.00 -7.23 -0.42 -2.51 120.40 110.59 1wn3 s VAL 85 Ca 0.10 -0.42 -0.30 0.00 -1.81 0.00 0.00 61.98 59.55 1wn3 s VAL 85 Cb -0.12 -0.36 -0.07 0.00 0.56 0.00 0.00 36.38 36.39 1wn3 s VAL 85 CO 0.01 -0.04 1.08 -0.70 -0.31 0.00 0.00 175.10 175.13 1wn3 s GLU 86 N -0.50 4.59 -0.07 4.82 2.12 -0.94 -1.02 118.70 127.70 1wn3 s GLU 86 Ca -0.02 1.66 0.09 0.00 0.36 0.00 0.00 54.97 57.06 1wn3 s GLU 86 Cb -0.04 -3.31 -0.13 0.00 0.26 0.00 0.00 34.13 30.91 1wn3 s GLU 86 CO -0.00 0.06 0.09 1.33 -0.54 0.00 0.00 175.26 176.20 1wn3 n VAL 87 N 2.69 0.46 -3.70 3.70 0.24 -0.04 -4.91 118.33 116.77 1wn3 n VAL 87 Ca 0.03 -0.35 -0.12 0.00 -2.04 0.00 0.00 64.34 61.86 1wn3 n VAL 87 Cb 0.47 -0.44 -0.10 0.00 -1.47 0.00 0.00 33.84 32.30 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 -3.87 -0.53 -0.15 -1.34 2.47 -1.13 -4.98 114.94 105.41 1wn3 s ASN 88 Ca -0.04 0.98 -0.00 0.00 0.42 0.00 0.00 52.86 54.22 1wn3 s ASN 88 Cb 0.04 0.95 0.03 0.00 -1.45 0.00 0.00 41.25 40.82 1wn3 s ASN 88 CO 0.40 -0.18 -0.08 -0.22 -3.72 0.00 0.00 177.10 173.30 1wn3 s LEU 89 N 0.65 1.53 0.48 3.21 2.96 -1.26 -1.42 118.68 124.84 1wn3 s LEU 89 Ca -0.03 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.39 1wn3 s LEU 89 Cb -0.05 -0.97 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 1wn3 s LEU 89 CO -0.04 -0.13 0.01 -0.44 -1.32 0.00 0.00 176.35 174.42 1wn3 s SER 90 N 1.61 4.00 0.10 3.68 0.01 0.36 -5.02 113.70 118.44 1wn3 s SER 90 Ca 0.03 -1.59 -0.30 0.00 1.31 0.00 0.00 55.95 55.40 1wn3 s SER 90 Cb -0.14 0.30 -0.12 0.00 0.21 0.00 0.00 66.02 66.27 1wn3 s SER 90 CO -0.09 -0.76 1.62 0.03 0.41 0.00 0.00 173.24 174.45 1wn3 h ARG 91 N 1.48 -0.64 -0.02 12.44 3.08 -2.00 -3.31 114.38 125.42 1wn3 h ARG 91 Ca -0.44 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.66 1wn3 h ARG 91 Cb 1.30 0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.49 1wn3 h ARG 91 CO 0.75 -0.42 -0.12 0.54 -1.07 0.00 0.00 179.97 179.65 1wn3 n ARG 92 N -5.44 1.40 -4.01 0.04 5.12 -1.26 -4.81 116.66 107.70 1wn3 n ARG 92 Ca -0.09 -1.16 -0.10 0.00 -1.93 0.00 0.00 57.85 54.57 1wn3 n ARG 92 Cb 0.35 -1.27 -0.06 0.00 -1.16 0.00 0.00 32.46 30.31 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 -1.48 0.02 -0.00 0.55 -4.23 -1.25 -0.00 115.64 109.25 1wn3 s THR 93 Ca 0.16 -1.46 -0.26 0.00 -1.18 0.00 0.00 61.69 58.95 1wn3 s THR 93 Cb 0.12 -2.11 0.06 0.00 1.34 0.00 0.00 72.50 71.91 1wn3 s THR 93 CO 0.26 -0.10 0.58 0.00 -0.54 0.00 0.00 174.62 174.83 1wn3 s ALA 94 N -4.02 -1.50 -0.01 3.99 0.00 -1.05 -0.49 121.76 118.69 1wn3 s ALA 94 Ca 0.23 0.92 0.05 0.00 0.00 0.00 0.00 51.96 53.16 1wn3 s ALA 94 Cb 0.02 0.18 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 1wn3 s ALA 94 CO 0.06 -0.42 -0.17 0.99 0.00 0.00 0.00 175.76 176.22 1wn3 s THR 95 N -1.75 1.36 0.06 0.00 2.01 -0.51 -0.53 115.64 116.28 1wn3 s THR 95 Ca -0.09 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.19 1wn3 s THR 95 Cb -0.01 -1.13 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 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 -0.44 1.15 -0.15 4.92 1.51 1.00 -0.86 117.35 124.47 1wn3 s TYR 96 Ca 0.06 -0.44 -0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1wn3 s TYR 96 Cb -0.07 -0.66 -0.01 0.00 -0.11 0.00 0.00 41.96 41.11 1wn3 s TYR 96 CO -0.00 0.04 -0.11 0.50 -1.11 0.00 0.00 175.55 174.87 1wn3 s ARG 97 N -1.58 3.39 -0.16 -0.62 3.52 -0.19 -1.29 118.95 122.03 1wn3 s ARG 97 Ca -0.02 -0.66 0.00 0.00 -0.13 0.00 0.00 55.73 54.92 1wn3 s ARG 97 Cb -0.09 -2.74 0.03 0.00 -1.56 0.00 0.00 34.95 30.58 1wn3 s ARG 97 CO 0.02 0.11 -0.13 0.08 -0.81 0.00 0.00 175.30 174.56 1wn3 s VAL 98 N 0.64 1.59 -0.18 7.11 1.01 0.13 -1.29 120.40 129.41 1wn3 s VAL 98 Ca -0.06 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.04 1wn3 s VAL 98 Cb -0.15 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 1wn3 s VAL 98 CO 0.03 0.40 0.41 -1.61 0.00 0.00 0.00 175.10 174.33 1wn3 s GLU 99 N 1.46 4.21 -0.38 2.72 2.02 -0.43 -0.42 118.70 127.89 1wn3 s GLU 99 Ca 0.04 0.25 -0.14 0.00 0.02 0.00 0.00 54.97 55.14 1wn3 s GLU 99 Cb -0.14 -3.51 0.01 0.00 0.10 0.00 0.00 34.13 30.59 1wn3 s GLU 99 CO -0.10 0.01 0.27 0.08 0.02 0.00 0.00 175.26 175.53 1wn3 s VAL 100 N 1.16 5.16 0.19 2.63 1.01 -0.22 -0.62 120.40 129.71 1wn3 s VAL 100 Ca 0.20 -0.55 0.11 0.00 0.00 0.00 0.00 61.98 61.75 1wn3 s VAL 100 Cb -0.15 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 1wn3 s VAL 100 CO 0.08 -0.20 -0.23 0.68 0.00 0.00 0.00 175.10 175.43 1wn3 s VAL 101 N 1.67 2.42 -0.19 2.92 -7.23 0.01 0.58 120.40 120.58 1wn3 s VAL 101 Ca 0.05 -1.99 -0.08 0.00 -1.81 0.00 0.00 61.98 58.14 1wn3 s VAL 101 Cb -0.18 -2.16 0.08 0.00 0.56 0.00 0.00 36.38 34.67 1wn3 s VAL 101 CO 0.10 -0.11 0.43 -0.55 -0.31 0.00 0.00 175.10 174.66 1wn3 s SER 102 N -2.66 -0.41 -1.51 4.85 0.15 -0.75 -0.74 113.70 112.64 1wn3 s SER 102 Ca 0.21 0.98 -0.05 0.00 0.70 0.00 0.00 55.95 57.79 1wn3 s SER 102 Cb -0.08 1.10 0.04 0.00 -1.71 0.00 0.00 66.02 65.37 1wn3 s SER 102 CO 0.10 -0.21 0.44 -0.62 1.20 0.00 0.00 173.24 174.14 1wn3 n GLU 103 N 4.84 -2.84 -0.99 5.44 -0.58 -1.26 -1.78 120.64 123.47 1wn3 n GLU 103 Ca -0.16 0.34 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 1wn3 n GLU 103 Cb 0.52 -4.51 0.00 0.00 -0.57 0.00 0.00 31.44 26.88 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 -1.94 0.69 3.29 0.62 0.00 -1.26 -5.04 105.19 101.55 1wn3 n GLY 104 Ca -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1wn3 n GLY 104 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wn3 s LYS 105 N -0.01 1.26 -0.54 1.61 -2.85 -0.73 -5.09 119.74 113.40 1wn3 s LYS 105 Ca 0.00 -1.11 -0.28 0.00 -1.00 0.00 0.00 55.97 53.57 1wn3 s LYS 105 Cb 0.00 -1.50 0.03 0.00 -2.06 0.00 0.00 37.83 34.30 1wn3 s LYS 105 CO 0.00 0.36 1.20 -1.17 0.10 0.00 0.00 175.35 175.84 1wn3 s LEU 106 N -1.67 3.51 0.04 2.77 2.96 -1.26 -1.80 118.68 123.23 1wn3 s LEU 106 Ca 0.08 0.27 -0.16 0.00 -0.22 0.00 0.00 54.13 54.10 1wn3 s LEU 106 Cb -0.10 -3.31 -0.30 0.00 0.50 0.00 0.00 46.19 42.98 1wn3 s LEU 106 CO 0.04 -1.42 1.07 0.58 -1.32 0.00 0.00 176.35 175.30 1wn3 h VAL 107 N 6.21 1.31 -2.84 1.68 2.07 -0.21 -3.41 116.25 121.06 1wn3 h VAL 107 Ca -0.24 -2.47 0.03 0.00 0.82 0.00 0.00 66.70 64.84 1wn3 h VAL 107 Cb 1.06 2.78 -0.11 0.00 -1.52 0.00 0.00 31.29 33.50 1wn3 h VAL 107 CO 1.16 0.74 0.28 0.00 0.02 0.00 0.00 177.57 179.78 1wn3 s ALA 108 N -2.90 -1.57 -0.09 1.67 0.00 -1.01 -0.82 121.76 117.03 1wn3 s ALA 108 Ca -0.10 0.40 0.03 0.00 0.00 0.00 0.00 51.96 52.29 1wn3 s ALA 108 Cb 0.05 0.79 0.01 0.00 0.00 0.00 0.00 23.12 23.96 1wn3 s ALA 108 CO 0.92 -0.82 -0.19 -1.17 0.00 0.00 0.00 175.76 174.50 1wn3 s LEU 109 N -2.75 1.91 -0.07 0.00 2.96 -0.01 -1.05 118.68 119.67 1wn3 s LEU 109 Ca 0.04 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.53 1wn3 s LEU 109 Cb -0.02 -1.19 -0.01 0.00 0.50 0.00 0.00 46.19 45.46 1wn3 s LEU 109 CO -0.08 0.10 -0.21 0.12 -1.32 0.00 0.00 176.35 174.96 1wn3 s PHE 110 N 0.56 2.56 -0.08 5.38 2.19 0.44 -0.51 117.98 128.52 1wn3 s PHE 110 Ca -0.15 -0.60 0.01 0.00 0.33 0.00 0.00 56.93 56.52 1wn3 s PHE 110 Cb -0.17 -1.65 0.02 0.00 -1.31 0.00 0.00 43.02 39.91 1wn3 s PHE 110 CO 0.05 -0.14 -0.08 0.99 1.83 0.00 0.00 175.22 177.88 1wn3 s THR 111 N -0.18 0.94 0.03 0.12 2.01 -0.36 0.23 115.64 118.43 1wn3 s THR 111 Ca -0.02 -0.30 -0.04 0.00 0.31 0.00 0.00 61.69 61.64 1wn3 s THR 111 Cb -0.14 -0.94 -0.01 0.00 0.01 0.00 0.00 72.50 71.42 1wn3 s THR 111 CO 0.03 0.34 0.07 -0.83 -0.69 0.00 0.00 174.62 173.54 1wn3 s GLY 112 N 1.26 0.20 -0.06 4.40 0.00 -0.41 0.06 107.32 112.77 1wn3 s GLY 112 Ca -0.04 -0.59 0.03 0.00 0.00 0.00 0.00 44.72 44.13 1wn3 s GLY 112 CO -0.03 -0.71 -0.16 -1.59 0.00 0.00 0.00 173.10 170.61 1wn3 s THR 113 N -2.48 1.43 0.33 0.90 2.01 -0.12 -0.00 115.64 117.70 1wn3 s THR 113 Ca -0.06 -0.68 0.08 0.00 0.31 0.00 0.00 61.69 61.34 1wn3 s THR 113 Cb -0.02 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 1wn3 s THR 113 CO -0.04 0.42 0.22 0.68 -0.69 0.00 0.00 174.62 175.21 1wn3 s VAL 114 N 0.37 3.46 -0.28 3.82 -7.23 0.31 -0.74 120.40 120.11 1wn3 s VAL 114 Ca -0.12 -1.50 -0.05 0.00 -1.81 0.00 0.00 61.98 58.50 1wn3 s VAL 114 Cb -0.15 -3.13 0.01 0.00 0.56 0.00 0.00 36.38 33.68 1wn3 s VAL 114 CO 0.04 -0.20 0.03 0.12 -0.31 0.00 0.00 175.10 174.78 1wn3 s PHE 115 N -2.33 3.11 -0.26 2.82 2.19 0.83 -2.52 117.98 121.83 1wn3 s PHE 115 Ca 0.39 -1.17 -0.29 0.00 0.33 0.00 0.00 56.93 56.18 1wn3 s PHE 115 Cb -0.05 -2.18 0.01 0.00 -1.31 0.00 0.00 43.02 39.49 1wn3 s PHE 115 CO 0.25 -0.62 1.08 1.03 1.83 0.00 0.00 175.22 178.79 1wn3 s ARG 116 N 1.44 4.18 0.00 10.12 0.52 1.00 -1.79 118.95 134.42 1wn3 s ARG 116 Ca 0.02 1.29 0.29 0.00 -0.52 0.00 0.00 55.73 56.81 1wn3 s ARG 116 Cb -0.17 -3.69 1.33 0.00 0.52 0.00 0.00 34.95 32.94 1wn3 s ARG 116 CO -0.00 -0.74 1.91 1.28 0.02 0.00 0.00 175.30 177.76