#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 -0.33 -0.60 -0.67 0.11 -2.04 -0.93 132.00 127.54 1wn3 h PRO 4 Ca 0.00 0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.17 1wn3 h PRO 4 Cb 0.00 0.07 -0.04 0.00 0.11 0.00 0.00 31.00 31.14 1wn3 h PRO 4 CO 0.00 -0.22 0.35 0.35 -0.21 0.00 0.00 178.00 178.28 1wn3 h PHE 5 N -0.34 0.66 -0.34 0.65 3.57 -2.03 0.11 116.94 119.22 1wn3 h PHE 5 Ca 0.14 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.67 1wn3 h PHE 5 Cb 0.58 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 1wn3 h PHE 5 CO -0.56 0.36 0.19 0.52 -2.23 0.00 0.00 178.31 176.59 1wn3 h MET 6 N 0.69 0.39 -0.49 1.11 2.86 -1.80 0.35 114.93 118.03 1wn3 h MET 6 Ca 0.25 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.86 1wn3 h MET 6 Cb 0.07 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1wn3 h MET 6 CO -0.13 0.25 0.28 1.49 1.06 0.00 0.00 176.91 179.87 1wn3 h GLU 7 N 0.40 0.68 -0.58 1.72 4.81 -0.66 0.06 114.58 121.00 1wn3 h GLU 7 Ca 0.14 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1wn3 h GLU 7 Cb 0.01 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1wn3 h GLU 7 CO -0.07 0.51 0.36 0.00 -0.73 0.00 0.00 179.01 179.08 1wn3 h ALA 8 N 1.13 1.53 -0.00 2.92 0.00 -0.30 -0.99 119.26 123.55 1wn3 h ALA 8 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1wn3 h ALA 8 Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.57 1wn3 h ALA 8 CO -0.03 0.41 -0.07 1.28 0.00 0.00 0.00 179.25 180.84 1wn3 n LEU 9 N -4.42 0.39 -0.55 0.00 4.77 0.07 -4.91 117.00 112.34 1wn3 n LEU 9 Ca 0.06 0.02 -0.06 0.00 -0.03 0.00 0.00 56.01 55.99 1wn3 n LEU 9 Cb 0.07 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1wn3 n LEU 9 CO 0.36 0.07 -0.07 0.61 -1.33 0.00 0.00 177.39 177.04 1wn3 n GLY 10 N 1.23 0.54 3.83 -0.72 0.00 -0.38 -4.84 105.19 104.85 1wn3 n GLY 10 Ca 0.16 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.51 4.23 -0.01 0.99 1.43 -0.09 -4.58 118.68 119.14 1wn3 s LEU 11 Ca 0.00 1.31 0.06 0.00 -1.03 0.00 0.00 54.13 54.48 1wn3 s LEU 11 Cb 0.00 -3.75 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 1wn3 s LEU 11 CO 0.00 -0.06 -0.19 -0.54 0.23 0.00 0.00 176.35 175.79 1wn3 s LYS 12 N -2.39 1.54 -0.40 1.70 -0.14 0.41 -4.54 119.74 115.91 1wn3 s LYS 12 Ca 0.47 -0.72 -0.23 0.00 -1.36 0.00 0.00 55.97 54.13 1wn3 s LYS 12 Cb -0.14 -1.51 0.02 0.00 -1.68 0.00 0.00 37.83 34.52 1wn3 s LYS 12 CO 0.19 0.41 0.78 0.08 -0.76 0.00 0.00 175.35 176.05 1wn3 s VAL 13 N -0.50 4.71 0.01 3.17 1.01 -1.26 -0.43 120.40 127.11 1wn3 s VAL 13 Ca 0.07 0.68 0.08 0.00 0.00 0.00 0.00 61.98 62.82 1wn3 s VAL 13 Cb -0.08 -4.25 -0.23 0.00 0.00 0.00 0.00 36.38 31.83 1wn3 s VAL 13 CO -0.00 -0.54 0.87 -0.07 0.00 0.00 0.00 175.10 175.35 1wn3 h LEU 14 N 9.88 0.06 -7.26 3.92 3.38 -1.31 -3.48 115.31 120.50 1wn3 h LEU 14 Ca -0.25 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.53 1wn3 h LEU 14 Cb 1.09 -0.02 -0.22 0.00 0.09 0.00 0.00 40.66 41.60 1wn3 h LEU 14 CO 0.93 1.08 -0.13 -2.28 0.09 0.00 0.00 178.44 178.12 1wn3 s HIS 15 N -2.63 -0.48 -0.11 1.13 5.04 -1.10 -4.97 115.29 112.17 1wn3 s HIS 15 Ca -0.04 1.08 -0.04 0.00 -1.54 0.00 0.00 55.06 54.52 1wn3 s HIS 15 Cb 0.08 0.19 0.06 0.00 0.04 0.00 0.00 32.58 32.96 1wn3 s HIS 15 CO 0.82 -0.33 0.20 -1.17 -2.34 0.00 0.00 174.74 171.93 1wn3 s LEU 16 N -0.23 -0.15 0.20 8.88 2.96 -1.26 -1.27 118.68 127.82 1wn3 s LEU 16 Ca -0.04 0.33 -0.06 0.00 -0.22 0.00 0.00 54.13 54.14 1wn3 s LEU 16 Cb -0.03 0.42 -0.02 0.00 0.50 0.00 0.00 46.19 47.05 1wn3 s LEU 16 CO 0.02 -0.26 0.26 0.00 -1.32 0.00 0.00 176.35 175.06 1wn3 s ALA 17 N 2.34 0.50 -0.05 5.97 0.00 -0.77 -5.02 121.76 124.72 1wn3 s ALA 17 Ca 0.03 -1.28 -0.34 0.00 0.00 0.00 0.00 51.96 50.37 1wn3 s ALA 17 Cb -0.13 1.16 -0.12 0.00 0.00 0.00 0.00 23.12 24.04 1wn3 s ALA 17 CO -0.07 -0.68 1.84 -2.30 0.00 0.00 0.00 175.76 174.54 1wn3 n PRO 18 N -0.29 2.17 -0.94 0.00 -0.02 -1.26 -1.29 135.00 133.38 1wn3 n PRO 18 Ca -0.01 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 1wn3 n PRO 18 Cb 0.64 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 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 4.25 0.44 3.18 -1.23 0.00 -1.26 -4.99 105.19 105.59 1wn3 n GLY 19 Ca 0.22 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.57 0.72 -0.13 1.61 -1.05 -0.41 -2.98 118.70 115.89 1wn3 s GLU 20 Ca 0.00 -0.73 -0.29 0.00 -0.15 0.00 0.00 54.97 53.80 1wn3 s GLU 20 Cb 0.00 0.30 0.07 0.00 -0.44 0.00 0.00 34.13 34.06 1wn3 s GLU 20 CO 0.00 -0.21 0.72 0.00 0.95 0.00 0.00 175.26 176.72 1wn3 s ALA 21 N -2.92 -1.79 -0.08 -0.84 0.00 -1.15 -1.84 121.76 113.15 1wn3 s ALA 21 Ca -0.02 1.57 0.01 0.00 0.00 0.00 0.00 51.96 53.52 1wn3 s ALA 21 Cb 0.01 -0.45 0.02 0.00 0.00 0.00 0.00 23.12 22.70 1wn3 s ALA 21 CO -0.06 -0.35 -0.10 0.08 0.00 0.00 0.00 175.76 175.33 1wn3 s VAL 22 N -0.66 1.03 -0.02 0.00 1.01 -0.40 -0.74 120.40 120.62 1wn3 s VAL 22 Ca -0.07 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 61.59 1wn3 s VAL 22 Cb -0.02 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.37 1wn3 s VAL 22 CO 0.06 0.34 -0.19 -0.69 0.00 0.00 0.00 175.10 174.62 1wn3 s VAL 23 N 1.02 1.53 0.18 2.92 1.01 -0.25 -0.77 120.40 126.04 1wn3 s VAL 23 Ca -0.08 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.14 1wn3 s VAL 23 Cb -0.15 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 1wn3 s VAL 23 CO -0.00 0.43 -0.12 0.00 0.00 0.00 0.00 175.10 175.41 1wn3 s ALA 24 N -0.39 1.79 0.12 5.51 0.00 0.43 -0.32 121.76 128.89 1wn3 s ALA 24 Ca 0.06 -1.60 -0.25 0.00 0.00 0.00 0.00 51.96 50.17 1wn3 s ALA 24 Cb -0.08 -0.01 0.08 0.00 0.00 0.00 0.00 23.12 23.11 1wn3 s ALA 24 CO -0.00 -0.01 1.09 0.20 0.00 0.00 0.00 175.76 177.04 1wn3 s GLY 25 N -3.26 -0.08 -0.02 0.00 0.00 0.06 -0.45 107.32 103.56 1wn3 s GLY 25 Ca 0.20 -0.02 0.07 0.00 0.00 0.00 0.00 44.72 44.98 1wn3 s GLY 25 CO 0.04 1.92 -0.24 1.85 0.00 0.00 0.00 173.10 176.67 1wn3 s GLU 26 N -2.45 2.02 -0.27 2.90 2.12 -1.26 -0.79 118.70 120.97 1wn3 s GLU 26 Ca 0.19 -0.86 -0.27 0.00 0.36 0.00 0.00 54.97 54.39 1wn3 s GLU 26 Cb -0.01 -1.91 0.01 0.00 0.26 0.00 0.00 34.13 32.48 1wn3 s GLU 26 CO 0.02 0.50 0.97 0.08 -0.54 0.00 0.00 175.26 176.29 1wn3 s VAL 27 N -0.50 4.68 0.47 3.70 1.01 0.01 -4.98 120.40 124.79 1wn3 s VAL 27 Ca 0.07 1.75 0.07 0.00 0.00 0.00 0.00 61.98 63.88 1wn3 s VAL 27 Cb -0.10 -4.27 0.01 0.00 0.00 0.00 0.00 36.38 32.02 1wn3 s VAL 27 CO -0.00 -0.24 0.45 -0.13 0.00 0.00 0.00 175.10 175.18 1wn3 s ARG 28 N 3.21 2.45 0.47 2.72 0.52 -1.26 0.46 118.95 127.52 1wn3 s ARG 28 Ca 0.41 -1.65 0.16 0.00 -0.52 0.00 0.00 55.73 54.12 1wn3 s ARG 28 Cb -0.14 -2.37 1.14 0.00 0.52 0.00 0.00 34.95 34.10 1wn3 s ARG 28 CO 0.09 -0.39 2.04 0.00 0.02 0.00 0.00 175.30 177.06 1wn3 h ALA 29 N 0.82 2.06 -0.40 2.13 0.00 -1.96 -1.09 119.26 120.83 1wn3 h ALA 29 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1wn3 h ALA 29 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1wn3 h ALA 29 CO 0.54 -0.14 0.00 -0.40 0.00 0.00 0.00 179.25 179.25 1wn3 n ASP 30 N -4.47 3.57 -0.30 0.00 5.75 -1.26 -3.38 116.55 116.46 1wn3 n ASP 30 Ca 0.05 -2.41 0.03 0.00 -0.01 0.00 0.00 54.79 52.46 1wn3 n ASP 30 Cb 0.29 -0.53 0.04 0.00 -1.03 0.00 0.00 41.12 39.90 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 0.55 0.07 -2.46 2.11 8.25 -0.41 -5.03 115.22 118.30 1wn3 n HIS 31 Ca 0.17 -0.12 -0.31 0.00 -0.26 0.00 0.00 57.72 57.21 1wn3 n HIS 31 Cb 0.72 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.80 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 -0.67 3.61 0.00 2.41 1.43 -1.22 -0.99 118.68 123.26 1wn3 s LEU 32 Ca 0.09 1.33 0.03 0.00 -1.03 0.00 0.00 54.13 54.55 1wn3 s LEU 32 Cb 0.06 -4.27 0.04 0.00 0.03 0.00 0.00 46.19 42.04 1wn3 s LEU 32 CO 0.09 -0.59 0.29 -0.46 0.23 0.00 0.00 176.35 175.91 1wn3 n ASN 33 N -1.81 0.73 0.00 2.29 0.23 0.46 -4.64 115.26 112.51 1wn3 n ASN 33 Ca 0.04 -1.53 0.04 0.00 -0.53 0.00 0.00 54.58 52.60 1wn3 n ASN 33 Cb 0.54 -0.16 0.19 0.00 -2.08 0.00 0.00 39.78 38.27 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 -0.71 -4.53 -0.00 -1.26 -1.72 117.00 108.78 1wn3 n LEU 34 Ca 0.06 0.44 0.10 0.00 -0.00 0.00 0.00 56.01 56.61 1wn3 n LEU 34 Cb 0.21 -0.44 0.06 0.00 -0.00 0.00 0.00 43.42 43.25 1wn3 n LEU 34 CO 0.14 -0.31 0.48 1.41 -0.00 0.00 0.00 177.39 179.11 1wn3 n HIS 35 N -1.44 0.00 -0.91 1.47 8.25 -1.26 -4.97 115.22 116.36 1wn3 n HIS 35 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1wn3 n HIS 35 Cb 0.09 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 1.25 0.44 3.53 -1.41 0.00 -0.70 -5.05 105.19 103.26 1wn3 n GLY 36 Ca 0.11 -0.90 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 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 1.53 0.12 2.61 -4.23 -1.26 -4.71 115.64 107.69 1wn3 s THR 37 Ca 0.00 -2.00 -0.34 0.00 -1.18 0.00 0.00 61.69 58.17 1wn3 s THR 37 Cb 0.00 -2.86 -0.14 0.00 1.34 0.00 0.00 72.50 70.84 1wn3 s THR 37 CO 0.00 0.00 1.59 0.00 -0.54 0.00 0.00 174.62 175.67 1wn3 n ALA 38 N -0.83 1.02 -1.88 3.99 0.00 0.15 -0.41 120.51 122.56 1wn3 n ALA 38 Ca -0.04 0.43 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 1wn3 n ALA 38 Cb 0.67 -2.34 -0.02 0.00 0.00 0.00 0.00 19.45 17.76 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 1.27 3.00 0.58 0.00 2.46 -0.16 -4.67 115.29 117.77 1wn3 s HIS 39 Ca 0.81 0.94 0.28 0.00 0.47 0.00 0.00 55.06 57.56 1wn3 s HIS 39 Cb -0.72 -3.86 1.53 0.00 -0.13 0.00 0.00 32.58 29.40 1wn3 s HIS 39 CO 0.41 -2.87 1.99 0.78 -2.47 0.00 0.00 174.74 172.58 1wn3 h GLY 40 N 5.32 0.00 2.00 1.59 0.00 -1.90 0.28 103.07 110.36 1wn3 h GLY 40 Ca -0.45 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.80 1wn3 h GLY 40 CO 0.80 0.00 -0.38 -1.33 0.00 0.00 0.00 176.54 175.64 1wn3 h GLY 41 N 0.00 0.00 0.41 4.60 0.00 -1.95 -2.11 103.07 104.02 1wn3 h GLY 41 Ca 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.47 1wn3 h GLY 41 CO -0.00 0.00 -0.14 -2.75 0.00 0.00 0.00 176.54 173.65 1wn3 h PHE 42 N 0.00 0.16 -0.80 5.60 3.57 -0.78 -1.01 116.94 123.68 1wn3 h PHE 42 Ca -0.00 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1wn3 h PHE 42 Cb 1.16 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.84 1wn3 h PHE 42 CO 0.00 0.83 0.42 -0.07 -2.23 0.00 0.00 178.31 177.26 1wn3 h LEU 43 N -0.55 1.01 -0.31 0.59 3.38 -1.51 -1.53 115.31 116.37 1wn3 h LEU 43 Ca -0.01 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1wn3 h LEU 43 Cb 0.86 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1wn3 h LEU 43 CO 0.03 0.82 -0.03 0.22 0.09 0.00 0.00 178.44 179.57 1wn3 h TYR 44 N 1.12 0.63 -0.81 1.13 5.03 -1.41 -2.14 116.97 120.53 1wn3 h TYR 44 Ca 0.28 -0.12 0.09 0.00 2.58 0.00 0.00 58.73 61.56 1wn3 h TYR 44 Cb 0.05 -0.16 -0.07 0.00 1.55 0.00 0.00 36.73 38.10 1wn3 h TYR 44 CO 0.01 0.72 0.47 0.00 -1.32 0.00 0.00 178.16 178.04 1wn3 h ALA 45 N 0.82 1.15 0.25 1.82 0.00 -0.75 0.51 119.26 123.07 1wn3 h ALA 45 Ca 0.09 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1wn3 h ALA 45 Cb 0.49 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1wn3 h ALA 45 CO 0.02 0.10 -0.12 1.25 0.00 0.00 0.00 179.25 180.50 1wn3 h LEU 46 N 0.79 -0.29 -0.49 0.00 5.85 -1.07 0.29 115.31 120.39 1wn3 h LEU 46 Ca 0.39 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 59.05 1wn3 h LEU 46 Cb 0.34 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 1wn3 h LEU 46 CO -0.24 -0.18 0.10 0.00 -0.34 0.00 0.00 178.44 177.78 1wn3 h ALA 47 N 0.39 0.65 -0.66 1.25 0.00 -0.84 -2.77 119.26 117.29 1wn3 h ALA 47 Ca -0.03 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1wn3 h ALA 47 Cb 0.28 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1wn3 h ALA 47 CO 0.06 0.36 0.36 0.22 0.00 0.00 0.00 179.25 180.25 1wn3 h ASP 48 N 0.69 0.80 0.11 0.00 3.58 0.11 -0.86 116.42 120.84 1wn3 h ASP 48 Ca 0.15 -0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1wn3 h ASP 48 Cb 0.36 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.21 1wn3 h ASP 48 CO 0.01 0.64 -0.05 0.28 -2.88 0.00 0.00 179.24 177.23 1wn3 h SER 49 N 0.91 -0.12 -0.70 2.28 0.02 -0.66 0.22 113.55 115.49 1wn3 h SER 49 Ca 0.23 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1wn3 h SER 49 Cb 0.01 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1wn3 h SER 49 CO -0.04 -0.08 0.30 0.00 -1.14 0.00 0.00 176.83 175.87 1wn3 h ALA 50 N 0.74 1.18 -0.12 3.77 0.00 -1.25 -0.71 119.26 122.86 1wn3 h ALA 50 Ca -0.02 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1wn3 h ALA 50 Cb 0.12 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1wn3 h ALA 50 CO 0.02 0.60 0.04 0.35 0.00 0.00 0.00 179.25 180.27 1wn3 h PHE 51 N 1.04 0.07 -0.45 0.00 3.57 -0.77 0.28 116.94 120.68 1wn3 h PHE 51 Ca 0.24 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 1wn3 h PHE 51 Cb 0.17 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 1wn3 h PHE 51 CO 0.02 0.04 0.14 0.00 -2.23 0.00 0.00 178.31 176.27 1wn3 h ALA 52 N 1.08 0.59 -0.32 2.41 0.00 -0.20 -1.51 119.26 121.31 1wn3 h ALA 52 Ca 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1wn3 h ALA 52 Cb 0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1wn3 h ALA 52 CO -0.06 0.25 0.13 -0.07 0.00 0.00 0.00 179.25 179.51 1wn3 h LEU 53 N 0.59 0.44 0.22 0.00 3.38 -0.96 -1.76 115.31 117.22 1wn3 h LEU 53 Ca 0.14 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1wn3 h LEU 53 Cb 0.27 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1wn3 h LEU 53 CO -0.00 0.48 -0.11 0.00 0.09 0.00 0.00 178.44 178.90 1wn3 h ALA 54 N 0.98 -0.30 -0.75 1.53 0.00 -0.84 -2.96 119.26 116.92 1wn3 h ALA 54 Ca 0.11 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1wn3 h ALA 54 Cb 0.17 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1wn3 h ALA 54 CO -0.01 -0.65 0.49 0.66 0.00 0.00 0.00 179.25 179.75 1wn3 h SER 55 N -0.35 0.83 0.51 0.00 4.64 -1.26 -1.98 113.55 115.94 1wn3 h SER 55 Ca -0.03 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1wn3 h SER 55 Cb 0.27 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1wn3 h SER 55 CO 0.05 0.59 0.00 0.59 -0.87 0.00 0.00 176.83 177.19 1wn3 n ASN 56 N -4.44 0.00 0.19 4.97 3.02 -0.67 -2.00 115.26 116.33 1wn3 n ASN 56 Ca 0.09 0.26 0.14 0.00 -0.03 0.00 0.00 54.58 55.04 1wn3 n ASN 56 Cb 0.07 -0.40 0.46 0.00 -0.61 0.00 0.00 39.78 39.30 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 0.00 0.00 -0.01 3.41 1.35 -1.22 -2.42 112.91 114.02 1wn3 h THR 57 Ca 0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1wn3 h THR 57 Cb 0.25 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1wn3 h THR 57 CO 0.00 0.00 -0.17 0.54 -0.25 0.00 0.00 175.52 175.64 1wn3 n ARG 58 N -2.68 1.34 0.00 4.72 5.12 -0.85 -4.81 116.66 119.50 1wn3 n ARG 58 Ca 0.03 -0.89 0.00 0.00 -1.93 0.00 0.00 57.85 55.06 1wn3 n ARG 58 Cb 0.36 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.18 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 2.29 3.65 -0.13 0.00 -0.91 -5.03 105.19 106.36 1wn3 n GLY 59 Ca 0.14 -2.13 -0.51 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.15 1.58 -3.82 1.61 -0.04 -1.26 -4.25 135.00 127.67 1wn3 n PRO 60 Ca 0.00 0.58 -0.12 0.00 -0.04 0.00 0.00 63.50 63.91 1wn3 n PRO 60 Cb 0.00 -2.29 -0.13 0.00 -0.04 0.00 0.00 33.50 31.04 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 1.92 -0.31 -0.01 0.55 0.00 -1.26 -1.71 121.76 120.95 1wn3 s ALA 61 Ca 0.88 0.37 0.06 0.00 0.00 0.00 0.00 51.96 53.27 1wn3 s ALA 61 Cb -0.87 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.01 1wn3 s ALA 61 CO 0.50 -0.07 -0.18 0.54 0.00 0.00 0.00 175.76 176.56 1wn3 s VAL 62 N 0.14 2.80 0.32 0.00 0.11 -0.63 -4.88 120.40 118.26 1wn3 s VAL 62 Ca -0.01 -0.98 -0.29 0.00 -2.93 0.00 0.00 61.98 57.78 1wn3 s VAL 62 Cb -0.02 -2.11 -0.10 0.00 -1.53 0.00 0.00 36.38 32.62 1wn3 s VAL 62 CO -0.00 0.48 1.23 0.00 -3.33 0.00 0.00 175.10 173.48 1wn3 s ALA 63 N -0.80 3.45 -0.01 1.54 0.00 -1.26 0.47 121.76 125.16 1wn3 s ALA 63 Ca 0.13 1.13 -0.05 0.00 0.00 0.00 0.00 51.96 53.17 1wn3 s ALA 63 Cb -0.10 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 1wn3 s ALA 63 CO 0.02 -0.48 -0.09 1.28 0.00 0.00 0.00 175.76 176.49 1wn3 n LEU 64 N 0.87 0.98 -3.85 0.00 4.77 0.03 -4.81 117.00 114.99 1wn3 n LEU 64 Ca -0.00 0.15 -0.14 0.00 -0.03 0.00 0.00 56.01 55.99 1wn3 n LEU 64 Cb 0.43 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 40.97 1wn3 n LEU 64 CO 0.57 -0.55 -0.37 -0.55 -1.33 0.00 0.00 177.39 175.17 1wn3 s SER 65 N -5.53 0.16 0.06 -1.43 0.15 -1.12 -5.01 113.70 100.97 1wn3 s SER 65 Ca -0.08 -0.01 0.03 0.00 0.70 0.00 0.00 55.95 56.59 1wn3 s SER 65 Cb 0.01 -0.06 -0.03 0.00 -1.71 0.00 0.00 66.02 64.24 1wn3 s SER 65 CO 0.11 -0.03 -0.09 0.00 1.20 0.00 0.00 173.24 174.43 1wn3 s ARG 67 N -2.02 0.68 -0.08 0.00 3.52 0.16 -4.98 118.95 116.23 1wn3 s ARG 67 Ca -0.04 -0.32 0.01 0.00 -0.13 0.00 0.00 55.73 55.24 1wn3 s ARG 67 Cb -0.07 -0.65 0.02 0.00 -1.56 0.00 0.00 34.95 32.69 1wn3 s ARG 67 CO -0.00 0.18 -0.08 1.41 -0.81 0.00 0.00 175.30 176.00 1wn3 s MET 68 N -0.27 1.35 -0.18 5.12 -2.45 -1.26 -0.99 119.30 120.62 1wn3 s MET 68 Ca 0.03 -0.25 -0.01 0.00 -1.25 0.00 0.00 55.69 54.21 1wn3 s MET 68 Cb -0.04 -1.29 -0.00 0.00 1.25 0.00 0.00 34.83 34.75 1wn3 s MET 68 CO -0.00 -0.12 -0.11 -0.51 1.05 0.00 0.00 175.02 175.33 1wn3 s ASP 69 N 1.16 3.90 -0.14 1.11 1.01 0.13 -4.98 116.67 118.86 1wn3 s ASP 69 Ca -0.06 -0.43 -0.13 0.00 0.71 0.00 0.00 52.55 52.64 1wn3 s ASP 69 Cb -0.14 -1.63 -0.05 0.00 1.01 0.00 0.00 42.92 42.12 1wn3 s ASP 69 CO -0.02 0.06 0.28 -0.31 0.21 0.00 0.00 175.17 175.39 1wn3 s TYR 70 N 1.00 3.51 -0.03 4.23 2.02 -1.26 -1.13 117.35 125.69 1wn3 s TYR 70 Ca -0.01 0.63 0.00 0.00 -0.37 0.00 0.00 57.07 57.32 1wn3 s TYR 70 Cb -0.15 -2.28 -0.02 0.00 -0.40 0.00 0.00 41.96 39.12 1wn3 s TYR 70 CO -0.02 0.36 -0.02 1.19 -1.57 0.00 0.00 175.55 175.49 1wn3 n PHE 71 N 3.13 0.00 -4.16 2.71 3.72 -0.25 -4.99 117.46 117.63 1wn3 n PHE 71 Ca -0.13 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.08 1wn3 n PHE 71 Cb 0.52 -0.10 -0.16 0.00 -0.94 0.00 0.00 39.48 38.81 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 -2.05 0.66 0.44 -1.08 0.52 -0.84 -5.04 118.95 111.55 1wn3 s ARG 72 Ca -0.03 -0.12 -0.20 0.00 -0.52 0.00 0.00 55.73 54.85 1wn3 s ARG 72 Cb 0.01 -0.68 -0.11 0.00 0.52 0.00 0.00 34.95 34.69 1wn3 s ARG 72 CO 0.06 -0.02 0.95 -1.25 0.02 0.00 0.00 175.30 175.06 1wn3 s PRO 73 N 0.58 4.20 0.01 3.54 0.04 -1.26 -4.84 135.00 137.26 1wn3 s PRO 73 Ca -0.07 1.09 0.07 0.00 0.04 0.00 0.00 61.00 62.13 1wn3 s PRO 73 Cb -0.11 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.23 1wn3 s PRO 73 CO -0.00 -0.05 -0.21 -0.51 0.04 0.00 0.00 177.00 176.27 1wn3 s LEU 74 N -3.26 2.09 0.60 -3.56 1.43 -1.26 -4.98 118.68 109.75 1wn3 s LEU 74 Ca 0.62 -0.44 0.07 0.00 -1.03 0.00 0.00 54.13 53.35 1wn3 s LEU 74 Cb -0.09 -1.03 0.09 0.00 0.03 0.00 0.00 46.19 45.19 1wn3 s LEU 74 CO 0.15 0.22 0.83 -0.83 0.23 0.00 0.00 176.35 176.95 1wn3 s GLY 75 N -0.77 1.75 0.39 -3.19 0.00 -1.26 0.34 107.32 104.57 1wn3 s GLY 75 Ca 0.08 -2.03 -0.28 0.00 0.00 0.00 0.00 44.72 42.50 1wn3 s GLY 75 CO 0.00 -1.55 1.45 0.00 0.00 0.00 0.00 173.10 173.01 1wn3 s ALA 76 N -2.77 3.50 0.00 3.20 0.00 -1.26 -2.56 121.76 121.87 1wn3 s ALA 76 Ca 0.63 1.52 0.00 0.00 0.00 0.00 0.00 51.96 54.10 1wn3 s ALA 76 Cb -0.06 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1wn3 s ALA 76 CO 0.40 -1.03 0.00 0.41 0.00 0.00 0.00 175.76 175.54 1wn3 n GLY 77 N 0.52 1.36 3.73 0.00 0.00 0.17 -5.01 105.19 105.96 1wn3 n GLY 77 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.31 3.61 -0.10 4.61 0.00 -1.06 -4.73 121.76 121.78 1wn3 s ALA 78 Ca 0.00 1.20 -0.20 0.00 0.00 0.00 0.00 51.96 52.96 1wn3 s ALA 78 Cb 0.00 -3.54 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 1wn3 s ALA 78 CO 0.00 -0.65 0.55 1.03 0.00 0.00 0.00 175.76 176.70 1wn3 s ARG 79 N 0.42 4.37 0.07 0.00 0.52 -1.26 -0.81 118.95 122.25 1wn3 s ARG 79 Ca 0.62 0.59 0.06 0.00 -0.52 0.00 0.00 55.73 56.48 1wn3 s ARG 79 Cb -0.39 -3.45 -0.03 0.00 0.52 0.00 0.00 34.95 31.61 1wn3 s ARG 79 CO 0.36 0.11 -0.16 0.54 0.02 0.00 0.00 175.30 176.17 1wn3 s VAL 80 N 0.73 1.28 0.01 3.52 0.11 0.03 -4.44 120.40 121.64 1wn3 s VAL 80 Ca 0.30 -1.25 -0.01 0.00 -2.93 0.00 0.00 61.98 58.08 1wn3 s VAL 80 Cb -0.16 -1.18 -0.01 0.00 -1.53 0.00 0.00 36.38 33.50 1wn3 s VAL 80 CO 0.13 -0.09 0.01 -0.70 -3.33 0.00 0.00 175.10 171.11 1wn3 s GLU 81 N -1.55 0.22 -0.05 1.54 -6.30 -0.34 -0.76 118.70 111.45 1wn3 s GLU 81 Ca 0.01 -0.34 0.02 0.00 -2.50 0.00 0.00 54.97 52.16 1wn3 s GLU 81 Cb -0.09 0.08 0.02 0.00 0.00 0.00 0.00 34.13 34.13 1wn3 s GLU 81 CO 0.02 -0.04 -0.09 0.00 0.02 0.00 0.00 175.26 175.17 1wn3 s ALA 82 N -0.89 1.03 -0.17 6.30 0.00 0.56 -0.31 121.76 128.28 1wn3 s ALA 82 Ca -0.10 -0.28 0.00 0.00 0.00 0.00 0.00 51.96 51.59 1wn3 s ALA 82 Cb -0.06 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.57 1wn3 s ALA 82 CO -0.00 0.08 -0.17 0.50 0.00 0.00 0.00 175.76 176.16 1wn3 s ARG 83 N 0.70 3.11 -0.17 0.00 3.52 -0.84 -1.09 118.95 124.18 1wn3 s ARG 83 Ca -0.13 -0.79 -0.10 0.00 -0.13 0.00 0.00 55.73 54.59 1wn3 s ARG 83 Cb -0.15 -2.62 -0.05 0.00 -1.56 0.00 0.00 34.95 30.58 1wn3 s ARG 83 CO 0.02 -0.11 0.16 0.00 -0.81 0.00 0.00 175.30 174.56 1wn3 s ALA 84 N 1.10 3.72 -0.01 6.12 0.00 0.08 -1.99 121.76 130.77 1wn3 s ALA 84 Ca 0.00 -0.64 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1wn3 s ALA 84 Cb -0.14 -2.16 -0.01 0.00 0.00 0.00 0.00 23.12 20.81 1wn3 s ALA 84 CO -0.06 0.25 -0.11 0.14 0.00 0.00 0.00 175.76 175.98 1wn3 s VAL 85 N 0.06 0.89 -0.06 0.00 -7.23 0.09 -2.93 120.40 111.22 1wn3 s VAL 85 Ca 0.11 -0.47 -0.30 0.00 -1.81 0.00 0.00 61.98 59.51 1wn3 s VAL 85 Cb -0.12 -0.75 -0.03 0.00 0.56 0.00 0.00 36.38 36.05 1wn3 s VAL 85 CO 0.00 0.25 1.16 -0.70 -0.31 0.00 0.00 175.10 175.51 1wn3 s GLU 86 N -0.19 4.37 -0.02 4.82 2.12 -1.16 -0.97 118.70 127.68 1wn3 s GLU 86 Ca 0.03 1.62 0.13 0.00 0.36 0.00 0.00 54.97 57.11 1wn3 s GLU 86 Cb -0.05 -3.54 -0.20 0.00 0.26 0.00 0.00 34.13 30.60 1wn3 s GLU 86 CO -0.00 -0.40 0.31 1.33 -0.54 0.00 0.00 175.26 175.95 1wn3 n VAL 87 N 4.54 0.00 -3.66 3.70 0.24 -0.35 -4.94 118.33 117.86 1wn3 n VAL 87 Ca 0.10 -0.29 -0.13 0.00 -2.04 0.00 0.00 64.34 61.98 1wn3 n VAL 87 Cb 0.47 0.26 -0.08 0.00 -1.47 0.00 0.00 33.84 33.01 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 -3.42 -0.67 -0.07 -1.34 2.47 -1.11 -4.98 114.94 105.82 1wn3 s ASN 88 Ca -0.04 1.26 -0.02 0.00 0.42 0.00 0.00 52.86 54.47 1wn3 s ASN 88 Cb 0.08 1.24 0.03 0.00 -1.45 0.00 0.00 41.25 41.16 1wn3 s ASN 88 CO 0.54 -0.22 0.06 -0.22 -3.72 0.00 0.00 177.10 173.54 1wn3 s LEU 89 N 0.57 0.24 0.00 3.21 2.96 -1.26 -1.14 118.68 123.26 1wn3 s LEU 89 Ca -0.02 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 1wn3 s LEU 89 Cb -0.05 -0.20 -0.00 0.00 0.50 0.00 0.00 46.19 46.44 1wn3 s LEU 89 CO -0.03 -0.26 0.02 -1.54 -1.32 0.00 0.00 176.35 173.22 1wn3 n SER 90 N 5.27 2.69 -0.20 3.68 3.41 0.14 -5.00 113.62 123.62 1wn3 n SER 90 Ca -0.04 -2.63 -0.09 0.00 -0.26 0.00 0.00 58.87 55.85 1wn3 n SER 90 Cb 0.50 0.35 0.02 0.00 -0.26 0.00 0.00 64.21 64.82 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 0.94 0.00 4.33 2.43 -2.01 -3.32 114.38 116.75 1wn3 h ARG 91 Ca -0.30 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.61 1wn3 h ARG 91 Cb 0.93 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 1wn3 h ARG 91 CO 0.49 0.92 -0.62 0.54 -1.51 0.00 0.00 179.97 179.79 1wn3 n ARG 92 N -4.32 2.84 -4.07 0.20 5.12 -1.26 -4.76 116.66 110.41 1wn3 n ARG 92 Ca 0.02 -0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.86 1wn3 n ARG 92 Cb 0.29 -1.09 -0.10 0.00 -1.16 0.00 0.00 32.46 30.40 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 -2.19 0.20 -0.17 0.55 -4.23 -1.25 0.37 115.64 108.92 1wn3 s THR 93 Ca 0.04 -1.75 -0.20 0.00 -1.18 0.00 0.00 61.69 58.60 1wn3 s THR 93 Cb 0.09 -1.55 0.05 0.00 1.34 0.00 0.00 72.50 72.43 1wn3 s THR 93 CO 0.51 -0.91 0.53 0.00 -0.54 0.00 0.00 174.62 174.21 1wn3 s ALA 94 N -3.93 -1.32 -0.02 3.99 0.00 -1.13 0.28 121.76 119.63 1wn3 s ALA 94 Ca 0.08 1.39 0.06 0.00 0.00 0.00 0.00 51.96 53.49 1wn3 s ALA 94 Cb 0.08 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 1wn3 s ALA 94 CO -0.09 -0.27 -0.19 0.99 0.00 0.00 0.00 175.76 176.21 1wn3 s THR 95 N -0.01 1.50 0.05 0.00 2.01 -0.29 -0.79 115.64 118.12 1wn3 s THR 95 Ca -0.02 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.22 1wn3 s THR 95 Cb -0.04 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.20 1wn3 s THR 95 CO 0.02 0.43 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.92 1wn3 s TYR 96 N -0.40 1.27 -0.15 4.92 1.51 0.36 -1.22 117.35 123.65 1wn3 s TYR 96 Ca 0.06 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.69 1wn3 s TYR 96 Cb -0.08 -0.74 -0.03 0.00 -0.11 0.00 0.00 41.96 41.00 1wn3 s TYR 96 CO -0.00 0.05 -0.01 0.50 -1.11 0.00 0.00 175.55 174.98 1wn3 s ARG 97 N -1.36 3.62 -0.19 -0.62 3.52 -0.14 -1.64 118.95 122.14 1wn3 s ARG 97 Ca 0.01 -0.47 0.01 0.00 -0.13 0.00 0.00 55.73 55.15 1wn3 s ARG 97 Cb -0.09 -2.95 0.04 0.00 -1.56 0.00 0.00 34.95 30.39 1wn3 s ARG 97 CO 0.02 0.33 -0.10 0.08 -0.81 0.00 0.00 175.30 174.81 1wn3 s VAL 98 N 0.15 1.57 -0.18 7.11 1.01 0.80 -0.73 120.40 130.14 1wn3 s VAL 98 Ca 0.00 -0.90 -0.16 0.00 0.00 0.00 0.00 61.98 60.92 1wn3 s VAL 98 Cb -0.13 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1wn3 s VAL 98 CO 0.02 0.22 0.40 -1.61 0.00 0.00 0.00 175.10 174.13 1wn3 s GLU 99 N 1.44 4.22 -0.27 2.72 2.02 -0.84 -0.67 118.70 127.32 1wn3 s GLU 99 Ca 0.00 0.24 -0.11 0.00 0.02 0.00 0.00 54.97 55.12 1wn3 s GLU 99 Cb -0.15 -3.50 -0.05 0.00 0.10 0.00 0.00 34.13 30.53 1wn3 s GLU 99 CO -0.09 0.04 0.17 0.08 0.02 0.00 0.00 175.26 175.49 1wn3 s VAL 100 N 1.05 5.23 0.11 2.63 1.01 -0.26 -1.99 120.40 128.18 1wn3 s VAL 100 Ca 0.20 0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.37 1wn3 s VAL 100 Cb -0.14 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.72 1wn3 s VAL 100 CO 0.08 0.28 -0.13 0.68 0.00 0.00 0.00 175.10 176.01 1wn3 s VAL 101 N 1.60 1.19 -0.13 2.92 -7.23 0.58 -0.11 120.40 119.23 1wn3 s VAL 101 Ca 0.07 -1.69 -0.06 0.00 -1.81 0.00 0.00 61.98 58.49 1wn3 s VAL 101 Cb -0.15 -1.47 0.06 0.00 0.56 0.00 0.00 36.38 35.37 1wn3 s VAL 101 CO 0.09 -0.47 0.29 -0.55 -0.31 0.00 0.00 175.10 174.16 1wn3 s SER 102 N -2.46 -0.18 -1.44 4.85 0.15 -0.49 -1.19 113.70 112.94 1wn3 s SER 102 Ca 0.08 0.64 -0.05 0.00 0.70 0.00 0.00 55.95 57.31 1wn3 s SER 102 Cb -0.04 0.60 0.04 0.00 -1.71 0.00 0.00 66.02 64.90 1wn3 s SER 102 CO 0.02 -0.19 0.68 -0.62 1.20 0.00 0.00 173.24 174.33 1wn3 n GLU 103 N 4.54 -4.31 -0.67 5.44 1.02 -1.26 -1.21 120.64 124.19 1wn3 n GLU 103 Ca -0.20 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 1wn3 n GLU 103 Cb 0.53 -5.03 0.00 0.00 -0.02 0.00 0.00 31.44 26.92 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 -1.72 0.82 3.73 0.62 0.00 -1.26 -4.99 105.19 102.39 1wn3 n GLY 104 Ca -0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.32 2.72 -0.48 1.61 1.02 -0.35 -5.06 119.74 118.87 1wn3 s LYS 105 Ca 0.00 -0.77 -0.29 0.00 0.02 0.00 0.00 55.97 54.93 1wn3 s LYS 105 Cb 0.00 -2.63 0.03 0.00 -0.52 0.00 0.00 37.83 34.71 1wn3 s LYS 105 CO 0.00 0.55 1.17 -1.17 -0.92 0.00 0.00 175.35 174.98 1wn3 s LEU 106 N -2.39 3.61 0.02 3.17 2.96 -1.26 -1.39 118.68 123.40 1wn3 s LEU 106 Ca 0.28 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.67 1wn3 s LEU 106 Cb -0.12 -3.53 -0.26 0.00 0.50 0.00 0.00 46.19 42.78 1wn3 s LEU 106 CO 0.20 -1.29 0.91 0.58 -1.32 0.00 0.00 176.35 175.43 1wn3 h VAL 107 N 6.26 1.22 -2.60 1.68 2.07 -0.84 -3.41 116.25 120.63 1wn3 h VAL 107 Ca -0.24 -2.89 0.04 0.00 0.82 0.00 0.00 66.70 64.44 1wn3 h VAL 107 Cb 1.06 2.74 -0.14 0.00 -1.52 0.00 0.00 31.29 33.44 1wn3 h VAL 107 CO 1.13 0.81 0.35 0.00 0.02 0.00 0.00 177.57 179.88 1wn3 s ALA 108 N -2.63 -1.72 -0.09 1.67 0.00 -1.03 -1.09 121.76 116.88 1wn3 s ALA 108 Ca -0.07 0.78 0.03 0.00 0.00 0.00 0.00 51.96 52.71 1wn3 s ALA 108 Cb 0.07 0.61 0.01 0.00 0.00 0.00 0.00 23.12 23.81 1wn3 s ALA 108 CO 0.85 -0.71 -0.18 -1.17 0.00 0.00 0.00 175.76 174.55 1wn3 s LEU 109 N -2.54 1.86 -0.04 0.00 2.96 -0.29 -1.10 118.68 119.53 1wn3 s LEU 109 Ca 0.02 -0.43 0.07 0.00 -0.22 0.00 0.00 54.13 53.57 1wn3 s LEU 109 Cb -0.01 -1.12 -0.02 0.00 0.50 0.00 0.00 46.19 45.54 1wn3 s LEU 109 CO -0.10 0.09 -0.24 0.12 -1.32 0.00 0.00 176.35 174.89 1wn3 s PHE 110 N 0.55 2.41 -0.06 5.38 2.19 0.16 -0.69 117.98 127.92 1wn3 s PHE 110 Ca -0.16 -0.51 0.02 0.00 0.33 0.00 0.00 56.93 56.61 1wn3 s PHE 110 Cb -0.17 -1.55 0.02 0.00 -1.31 0.00 0.00 43.02 40.01 1wn3 s PHE 110 CO 0.05 -0.08 -0.08 0.99 1.83 0.00 0.00 175.22 177.93 1wn3 s THR 111 N -0.46 0.86 0.00 0.12 2.01 -0.16 -0.14 115.64 117.87 1wn3 s THR 111 Ca 0.05 -0.31 -0.05 0.00 0.31 0.00 0.00 61.69 61.70 1wn3 s THR 111 Cb -0.11 -0.83 -0.00 0.00 0.01 0.00 0.00 72.50 71.56 1wn3 s THR 111 CO 0.01 0.30 0.08 -0.83 -0.69 0.00 0.00 174.62 173.49 1wn3 s GLY 112 N 0.84 0.09 -0.04 4.40 0.00 -0.65 0.39 107.32 112.35 1wn3 s GLY 112 Ca -0.12 -0.23 0.04 0.00 0.00 0.00 0.00 44.72 44.41 1wn3 s GLY 112 CO 0.01 -0.34 -0.15 -1.59 0.00 0.00 0.00 173.10 171.03 1wn3 s THR 113 N -1.28 1.29 0.33 0.90 2.01 0.21 -0.49 115.64 118.62 1wn3 s THR 113 Ca -0.14 -0.64 0.09 0.00 0.31 0.00 0.00 61.69 61.31 1wn3 s THR 113 Cb -0.08 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 1wn3 s THR 113 CO 0.01 0.38 0.04 0.68 -0.69 0.00 0.00 174.62 175.03 1wn3 s VAL 114 N 0.09 2.85 -0.22 3.82 -7.23 0.03 -0.79 120.40 118.95 1wn3 s VAL 114 Ca -0.04 -1.91 -0.05 0.00 -1.81 0.00 0.00 61.98 58.17 1wn3 s VAL 114 Cb -0.11 -2.83 -0.02 0.00 0.56 0.00 0.00 36.38 33.97 1wn3 s VAL 114 CO 0.02 -0.23 0.01 0.12 -0.31 0.00 0.00 175.10 174.71 1wn3 s PHE 115 N -2.46 3.03 -0.24 2.82 2.19 0.18 -2.83 117.98 120.67 1wn3 s PHE 115 Ca 0.35 -0.56 -0.27 0.00 0.33 0.00 0.00 56.93 56.78 1wn3 s PHE 115 Cb -0.02 -2.13 0.00 0.00 -1.31 0.00 0.00 43.02 39.56 1wn3 s PHE 115 CO 0.20 -0.35 0.96 1.03 1.83 0.00 0.00 175.22 178.89 1wn3 s ARG 116 N 1.29 4.22 0.00 10.12 0.52 0.16 -1.61 118.95 133.66 1wn3 s ARG 116 Ca 0.04 1.18 0.30 0.00 -0.52 0.00 0.00 55.73 56.73 1wn3 s ARG 116 Cb -0.15 -3.64 1.47 0.00 0.52 0.00 0.00 34.95 33.15 1wn3 s ARG 116 CO 0.01 -0.59 1.98 1.28 0.02 0.00 0.00 175.30 178.00