#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wm6 n ARG 2 N 0.00 0.05 -3.53 0.03 1.74 -1.26 -4.70 116.66 108.99 1wm6 n ARG 2 Ca 0.00 -0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.66 1wm6 n ARG 2 Cb 0.00 -1.51 -0.08 0.00 -1.02 0.00 0.00 32.46 29.85 1wm6 n ARG 2 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1wm6 s ASP 3 N -3.15 5.78 0.13 0.55 -1.08 -1.26 -5.00 116.67 112.64 1wm6 s ASP 3 Ca 0.07 -2.01 -0.32 0.00 -0.52 0.00 0.00 52.55 49.77 1wm6 s ASP 3 Cb 0.16 -2.03 -0.10 0.00 -1.46 0.00 0.00 42.92 39.50 1wm6 s ASP 3 CO 0.83 -0.68 1.55 -0.65 0.52 0.00 0.00 175.17 176.75 1wm6 h PRO 4 N 8.36 -0.42 -0.62 4.34 0.11 -2.00 -1.81 132.00 139.95 1wm6 h PRO 4 Ca -0.19 0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.99 1wm6 h PRO 4 Cb 1.07 0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1wm6 h PRO 4 CO 0.86 -0.28 0.37 0.35 -0.21 0.00 0.00 178.00 179.09 1wm6 h PHE 5 N -0.43 0.70 -0.69 0.65 3.57 -1.98 0.60 116.94 119.35 1wm6 h PHE 5 Ca 0.07 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.61 1wm6 h PHE 5 Cb 0.62 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 1wm6 h PHE 5 CO -0.67 0.39 0.45 0.52 -2.23 0.00 0.00 178.31 176.76 1wm6 h MET 6 N 0.73 0.89 -0.35 1.11 2.86 -1.87 -1.88 114.93 116.42 1wm6 h MET 6 Ca 0.26 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.73 1wm6 h MET 6 Cb 0.06 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 1wm6 h MET 6 CO -0.12 0.59 -0.24 1.49 1.06 0.00 0.00 176.91 179.69 1wm6 h GLU 7 N 0.92 0.69 -0.26 1.72 4.81 -0.77 0.11 114.58 121.80 1wm6 h GLU 7 Ca 0.26 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1wm6 h GLU 7 Cb -0.08 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1wm6 h GLU 7 CO -0.07 0.87 0.02 0.00 -0.73 0.00 0.00 179.01 179.10 1wm6 h ALA 8 N 1.13 1.55 -0.02 2.92 0.00 -0.27 -2.01 119.26 122.56 1wm6 h ALA 8 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1wm6 h ALA 8 Cb 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1wm6 h ALA 8 CO 0.06 0.33 -0.03 1.28 0.00 0.00 0.00 179.25 180.89 1wm6 n LEU 9 N -4.34 2.22 -1.02 0.00 4.77 -0.76 -4.96 117.00 112.90 1wm6 n LEU 9 Ca 0.01 -0.74 -0.08 0.00 -0.03 0.00 0.00 56.01 55.17 1wm6 n LEU 9 Cb 0.20 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1wm6 n LEU 9 CO 0.37 0.37 -0.05 0.61 -1.33 0.00 0.00 177.39 177.36 1wm6 n GLY 10 N 1.28 0.15 3.79 -0.72 0.00 -0.69 -4.77 105.19 104.22 1wm6 n GLY 10 Ca 0.16 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 1wm6 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wm6 s LEU 11 N -2.39 4.52 -0.05 0.99 1.43 0.30 -4.57 118.68 118.92 1wm6 s LEU 11 Ca 0.05 1.37 0.06 0.00 -1.03 0.00 0.00 54.13 54.57 1wm6 s LEU 11 Cb -0.02 -3.04 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 1wm6 s LEU 11 CO 0.06 0.21 -0.22 -0.54 0.23 0.00 0.00 176.35 176.08 1wm6 s LYS 12 N -0.88 2.19 -0.25 1.70 -0.14 0.08 -4.60 119.74 117.84 1wm6 s LYS 12 Ca 0.32 -0.80 -0.25 0.00 -1.36 0.00 0.00 55.97 53.88 1wm6 s LYS 12 Cb -0.20 -1.91 -0.00 0.00 -1.68 0.00 0.00 37.83 34.03 1wm6 s LYS 12 CO 0.21 0.36 0.87 0.08 -0.76 0.00 0.00 175.35 176.11 1wm6 s VAL 13 N -0.17 4.80 -0.31 3.17 1.01 -1.26 -0.37 120.40 127.27 1wm6 s VAL 13 Ca -0.01 1.60 0.22 0.00 0.00 0.00 0.00 61.98 63.79 1wm6 s VAL 13 Cb -0.12 -4.16 -0.23 0.00 0.00 0.00 0.00 36.38 31.87 1wm6 s VAL 13 CO 0.02 -0.13 0.73 0.18 0.00 0.00 0.00 175.10 175.91 1wm6 n LEU 14 N 6.11 0.39 -3.64 3.92 4.77 0.60 -4.96 117.00 124.20 1wm6 n LEU 14 Ca 0.07 -0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.92 1wm6 n LEU 14 Cb 0.47 -0.03 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 1wm6 n LEU 14 CO 0.49 0.01 0.50 -2.28 -1.33 0.00 0.00 177.39 174.78 1wm6 s HIS 15 N -3.36 -0.77 -0.19 -1.77 5.04 -1.11 -4.95 115.29 108.18 1wm6 s HIS 15 Ca -0.02 1.73 -0.04 0.00 -1.54 0.00 0.00 55.06 55.19 1wm6 s HIS 15 Cb 0.14 0.39 0.10 0.00 0.04 0.00 0.00 32.58 33.24 1wm6 s HIS 15 CO 0.86 -0.37 0.31 -1.17 -2.34 0.00 0.00 174.74 172.03 1wm6 s LEU 16 N 0.74 -0.41 0.13 8.88 2.96 -1.26 -1.19 118.68 128.54 1wm6 s LEU 16 Ca -0.03 0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 54.20 1wm6 s LEU 16 Cb -0.05 0.86 -0.03 0.00 0.50 0.00 0.00 46.19 47.47 1wm6 s LEU 16 CO -0.07 -0.28 0.14 0.00 -1.32 0.00 0.00 176.35 174.82 1wm6 s ALA 17 N 2.47 0.46 -0.05 5.97 0.00 -1.02 -5.05 121.76 124.54 1wm6 s ALA 17 Ca 0.06 -1.19 -0.38 0.00 0.00 0.00 0.00 51.96 50.44 1wm6 s ALA 17 Cb -0.14 0.80 -0.16 0.00 0.00 0.00 0.00 23.12 23.61 1wm6 s ALA 17 CO -0.12 -0.54 1.47 -2.30 0.00 0.00 0.00 175.76 174.28 1wm6 n PRO 18 N -0.12 1.10 -0.80 0.00 -0.02 -1.26 -1.38 135.00 132.52 1wm6 n PRO 18 Ca -0.07 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1wm6 n PRO 18 Cb 0.63 -2.05 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 1wm6 n PRO 18 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1wm6 n GLY 19 N 3.08 0.53 3.16 -1.23 0.00 -1.26 -4.97 105.19 104.51 1wm6 n GLY 19 Ca 0.21 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 1wm6 n GLY 19 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wm6 s GLU 20 N -0.49 0.71 -0.00 1.61 -1.05 -0.48 -2.42 118.70 116.58 1wm6 s GLU 20 Ca 0.00 -0.84 -0.29 0.00 -0.15 0.00 0.00 54.97 53.69 1wm6 s GLU 20 Cb 0.00 0.28 0.08 0.00 -0.44 0.00 0.00 34.13 34.05 1wm6 s GLU 20 CO 0.00 -0.20 0.70 0.00 0.95 0.00 0.00 175.26 176.71 1wm6 s ALA 21 N -3.17 -1.74 -0.06 -0.84 0.00 -0.77 -2.44 121.76 112.73 1wm6 s ALA 21 Ca -0.00 1.10 -0.01 0.00 0.00 0.00 0.00 51.96 53.05 1wm6 s ALA 21 Cb 0.02 0.20 0.03 0.00 0.00 0.00 0.00 23.12 23.36 1wm6 s ALA 21 CO -0.07 -0.49 0.00 0.08 0.00 0.00 0.00 175.76 175.28 1wm6 s VAL 22 N -1.97 0.32 -0.03 0.00 1.01 -0.33 0.09 120.40 119.49 1wm6 s VAL 22 Ca -0.06 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.10 1wm6 s VAL 22 Cb -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.90 1wm6 s VAL 22 CO 0.02 0.23 -0.23 -0.69 0.00 0.00 0.00 175.10 174.43 1wm6 s VAL 23 N 1.70 1.87 0.27 2.92 1.01 -0.17 -0.29 120.40 127.71 1wm6 s VAL 23 Ca 0.01 -1.00 0.12 0.00 0.00 0.00 0.00 61.98 61.11 1wm6 s VAL 23 Cb -0.13 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 1wm6 s VAL 23 CO -0.04 0.53 -0.20 0.00 0.00 0.00 0.00 175.10 175.39 1wm6 s ALA 24 N -0.41 2.68 0.13 5.51 0.00 0.50 0.65 121.76 130.82 1wm6 s ALA 24 Ca 0.05 -1.84 -0.26 0.00 0.00 0.00 0.00 51.96 49.91 1wm6 s ALA 24 Cb -0.10 -0.26 0.07 0.00 0.00 0.00 0.00 23.12 22.83 1wm6 s ALA 24 CO 0.00 0.28 0.93 0.20 0.00 0.00 0.00 175.76 177.18 1wm6 s GLY 25 N -3.41 -0.28 -0.04 0.00 0.00 -0.11 -0.74 107.32 102.74 1wm6 s GLY 25 Ca 0.28 0.30 0.03 0.00 0.00 0.00 0.00 44.72 45.33 1wm6 s GLY 25 CO 0.14 0.07 -0.12 1.85 0.00 0.00 0.00 173.10 175.04 1wm6 s GLU 26 N -3.28 1.37 -0.21 2.90 2.12 -1.26 -0.74 118.70 119.60 1wm6 s GLU 26 Ca 0.10 -0.41 -0.29 0.00 0.36 0.00 0.00 54.97 54.74 1wm6 s GLU 26 Cb -0.01 -1.21 -0.04 0.00 0.26 0.00 0.00 34.13 33.13 1wm6 s GLU 26 CO -0.00 0.12 1.78 0.08 -0.54 0.00 0.00 175.26 176.70 1wm6 s VAL 27 N 0.30 3.47 0.53 3.70 1.01 -0.49 -4.93 120.40 123.98 1wm6 s VAL 27 Ca -0.06 0.52 0.09 0.00 0.00 0.00 0.00 61.98 62.53 1wm6 s VAL 27 Cb -0.11 -3.50 0.06 0.00 0.00 0.00 0.00 36.38 32.82 1wm6 s VAL 27 CO 0.02 -0.23 0.70 -0.13 0.00 0.00 0.00 175.10 175.45 1wm6 s ARG 28 N 5.07 2.45 0.27 2.72 0.52 -1.26 -0.36 118.95 128.36 1wm6 s ARG 28 Ca 0.79 -1.55 -0.04 0.00 -0.52 0.00 0.00 55.73 54.41 1wm6 s ARG 28 Cb -0.28 -2.64 0.34 0.00 0.52 0.00 0.00 34.95 32.89 1wm6 s ARG 28 CO 0.32 -0.67 1.92 0.00 0.02 0.00 0.00 175.30 176.90 1wm6 h ALA 29 N 0.36 1.30 0.00 2.13 0.00 -1.99 -1.68 119.26 119.39 1wm6 h ALA 29 Ca -0.33 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1wm6 h ALA 29 Cb 1.29 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1wm6 h ALA 29 CO 0.43 0.61 0.00 -0.40 0.00 0.00 0.00 179.25 179.89 1wm6 n ASP 30 N -4.37 0.00 -0.74 0.00 5.75 -1.26 -2.63 116.55 113.29 1wm6 n ASP 30 Ca 0.10 -1.29 0.07 0.00 -0.01 0.00 0.00 54.79 53.66 1wm6 n ASP 30 Cb 0.05 0.00 0.14 0.00 -1.03 0.00 0.00 41.12 40.29 1wm6 n ASP 30 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1wm6 n HIS 31 N -0.70 0.35 -3.25 2.11 8.25 -0.63 -5.00 115.22 116.35 1wm6 n HIS 31 Ca 0.08 -0.29 -0.26 0.00 -0.26 0.00 0.00 57.72 57.00 1wm6 n HIS 31 Cb 0.04 -0.01 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 1wm6 n HIS 31 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1wm6 s LEU 32 N -1.10 3.96 0.00 2.41 1.43 -1.08 -1.00 118.68 123.30 1wm6 s LEU 32 Ca 0.25 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.96 1wm6 s LEU 32 Cb 0.15 -3.46 0.03 0.00 0.03 0.00 0.00 46.19 42.94 1wm6 s LEU 32 CO 0.20 -0.31 0.22 -0.46 0.23 0.00 0.00 176.35 176.22 1wm6 n ASN 33 N -1.64 0.42 0.13 2.29 0.23 -0.17 -4.65 115.26 111.87 1wm6 n ASN 33 Ca -0.03 -1.32 0.06 0.00 -0.53 0.00 0.00 54.58 52.75 1wm6 n ASN 33 Cb 0.55 -0.13 0.52 0.00 -2.08 0.00 0.00 39.78 38.65 1wm6 n ASN 33 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1wm6 h LEU 34 N 0.00 0.23 -3.91 -4.53 6.46 -2.00 -3.06 115.31 108.51 1wm6 h LEU 34 Ca -0.07 -0.01 -0.54 0.00 -0.12 0.00 0.00 57.88 57.14 1wm6 h LEU 34 Cb 0.30 -0.06 -0.29 0.00 -0.73 0.00 0.00 40.66 39.88 1wm6 h LEU 34 CO 0.09 0.19 0.58 0.00 -0.62 0.00 0.00 178.44 178.67 1wm6 n HIS 35 N -4.49 2.89 -0.19 1.25 1.44 -1.26 -4.96 115.22 109.91 1wm6 n HIS 35 Ca -0.00 -2.28 0.00 0.00 -2.01 0.00 0.00 57.72 53.43 1wm6 n HIS 35 Cb 0.09 -1.05 0.00 0.00 0.12 0.00 0.00 29.99 29.15 1wm6 n HIS 35 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1wm6 n GLY 36 N -1.04 2.60 3.91 -1.39 0.00 -1.16 -5.04 105.19 103.07 1wm6 n GLY 36 Ca 0.57 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.40 1wm6 n GLY 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1wm6 s THR 37 N -3.18 2.96 -0.03 2.61 -4.23 -1.26 -4.52 115.64 107.99 1wm6 s THR 37 Ca 0.00 -1.24 -0.30 0.00 -1.18 0.00 0.00 61.69 58.98 1wm6 s THR 37 Cb 0.00 -3.05 -0.08 0.00 1.34 0.00 0.00 72.50 70.71 1wm6 s THR 37 CO 0.00 -0.03 2.03 0.00 -0.54 0.00 0.00 174.62 176.07 1wm6 n ALA 38 N -1.61 1.59 -1.66 3.99 0.00 0.27 -1.00 120.51 122.09 1wm6 n ALA 38 Ca 0.04 0.12 -0.40 0.00 0.00 0.00 0.00 53.44 53.20 1wm6 n ALA 38 Cb 0.61 -2.72 0.03 0.00 0.00 0.00 0.00 19.45 17.36 1wm6 n ALA 38 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1wm6 n HIS 39 N 8.38 1.54 -0.17 0.00 -0.00 -0.17 -4.76 115.22 120.05 1wm6 n HIS 39 Ca 0.22 0.48 -0.00 0.00 0.46 0.00 0.00 57.72 58.88 1wm6 n HIS 39 Cb 0.41 -2.27 0.25 0.00 -0.12 0.00 0.00 29.99 28.26 1wm6 n HIS 39 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 1wm6 h GLY 40 N 1.36 0.95 2.00 1.57 0.00 -1.91 -2.42 103.07 104.62 1wm6 h GLY 40 Ca -0.48 -0.41 -0.03 0.00 0.00 0.00 0.00 47.33 46.41 1wm6 h GLY 40 CO 0.56 0.40 -0.13 -1.33 0.00 0.00 0.00 176.54 176.04 1wm6 h GLY 41 N 0.95 0.00 0.40 4.60 0.00 -1.96 -1.63 103.07 105.43 1wm6 h GLY 41 Ca 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.56 1wm6 h GLY 41 CO -0.04 0.00 -0.05 -2.75 0.00 0.00 0.00 176.54 173.70 1wm6 h PHE 42 N 0.00 -0.13 -0.35 5.60 3.57 -1.77 -0.21 116.94 123.66 1wm6 h PHE 42 Ca -0.00 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1wm6 h PHE 42 Cb 0.25 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1wm6 h PHE 42 CO 0.00 0.37 0.19 -0.07 -2.23 0.00 0.00 178.31 176.57 1wm6 h LEU 43 N -0.73 0.41 -0.18 0.59 3.38 -1.46 -1.07 115.31 116.25 1wm6 h LEU 43 Ca -0.01 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1wm6 h LEU 43 Cb 0.55 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1wm6 h LEU 43 CO 0.02 0.34 -0.49 0.22 0.09 0.00 0.00 178.44 178.62 1wm6 h TYR 44 N 0.48 0.85 -1.01 1.13 5.03 -1.30 -2.31 116.97 119.85 1wm6 h TYR 44 Ca 0.12 -0.33 0.03 0.00 2.58 0.00 0.00 58.73 61.14 1wm6 h TYR 44 Cb 0.01 -0.15 -0.06 0.00 1.55 0.00 0.00 36.73 38.09 1wm6 h TYR 44 CO 0.00 1.11 0.66 0.00 -1.32 0.00 0.00 178.16 178.62 1wm6 h ALA 45 N 0.58 1.33 0.68 1.82 0.00 -0.36 0.35 119.26 123.66 1wm6 h ALA 45 Ca -0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1wm6 h ALA 45 Cb 1.11 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1wm6 h ALA 45 CO 0.11 0.58 -0.38 1.25 0.00 0.00 0.00 179.25 180.80 1wm6 h LEU 46 N 1.29 -0.94 -0.89 0.00 5.85 -1.12 -0.66 115.31 118.84 1wm6 h LEU 46 Ca 0.40 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 59.15 1wm6 h LEU 46 Cb -0.03 0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1wm6 h LEU 46 CO -0.12 -0.61 0.53 0.00 -0.34 0.00 0.00 178.44 177.90 1wm6 h ALA 47 N -0.72 1.14 -0.46 1.25 0.00 -1.04 -2.31 119.26 117.12 1wm6 h ALA 47 Ca -0.09 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1wm6 h ALA 47 Cb 0.79 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 1wm6 h ALA 47 CO 0.11 0.60 0.19 0.22 0.00 0.00 0.00 179.25 180.38 1wm6 h ASP 48 N 1.23 0.59 -0.37 0.00 3.58 -0.19 -1.01 116.42 120.24 1wm6 h ASP 48 Ca 0.32 -0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.65 1wm6 h ASP 48 Cb -0.04 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.85 1wm6 h ASP 48 CO -0.06 0.53 0.01 0.28 -2.88 0.00 0.00 179.24 177.12 1wm6 h SER 49 N 0.65 0.63 -0.56 2.28 0.02 -0.56 0.17 113.55 116.19 1wm6 h SER 49 Ca 0.16 -0.30 -0.06 0.00 -0.84 0.00 0.00 61.79 60.76 1wm6 h SER 49 Cb 0.12 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1wm6 h SER 49 CO -0.02 0.78 0.13 0.00 -1.14 0.00 0.00 176.83 176.58 1wm6 h ALA 50 N 0.88 0.73 -0.12 3.77 0.00 -1.18 -1.52 119.26 121.82 1wm6 h ALA 50 Ca 0.11 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.80 1wm6 h ALA 50 Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1wm6 h ALA 50 CO 0.02 0.44 0.06 0.35 0.00 0.00 0.00 179.25 180.11 1wm6 h PHE 51 N 0.79 0.11 -0.40 0.00 3.57 -1.01 0.25 116.94 120.25 1wm6 h PHE 51 Ca 0.17 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1wm6 h PHE 51 Cb 0.35 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 1wm6 h PHE 51 CO 0.02 0.06 0.21 0.00 -2.23 0.00 0.00 178.31 176.38 1wm6 h ALA 52 N 1.06 0.51 -0.15 2.41 0.00 -0.47 -0.54 119.26 122.07 1wm6 h ALA 52 Ca 0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1wm6 h ALA 52 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1wm6 h ALA 52 CO -0.04 0.04 0.03 -0.07 0.00 0.00 0.00 179.25 179.22 1wm6 h LEU 53 N 0.51 0.24 -0.28 0.00 3.38 -1.12 -1.32 115.31 116.71 1wm6 h LEU 53 Ca 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1wm6 h LEU 53 Cb 0.07 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1wm6 h LEU 53 CO -0.02 0.42 0.12 0.00 0.09 0.00 0.00 178.44 179.05 1wm6 h ALA 54 N 0.83 0.36 -0.35 1.53 0.00 -0.87 -2.74 119.26 118.00 1wm6 h ALA 54 Ca 0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1wm6 h ALA 54 Cb 0.28 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1wm6 h ALA 54 CO 0.00 -0.07 0.06 0.66 0.00 0.00 0.00 179.25 179.91 1wm6 h SER 55 N 0.31 0.48 0.77 0.00 4.64 -1.06 -2.50 113.55 116.19 1wm6 h SER 55 Ca 0.09 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1wm6 h SER 55 Cb 0.14 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1wm6 h SER 55 CO -0.01 0.50 0.00 0.59 -0.87 0.00 0.00 176.83 177.04 1wm6 n ASN 56 N -4.33 0.07 0.05 4.97 3.02 -0.50 -2.73 115.26 115.81 1wm6 n ASN 56 Ca 0.02 0.51 0.09 0.00 -0.03 0.00 0.00 54.58 55.17 1wm6 n ASN 56 Cb 0.20 -0.53 0.40 0.00 -0.61 0.00 0.00 39.78 39.24 1wm6 n ASN 56 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1wm6 n THR 57 N -1.57 0.87 1.06 3.41 -2.24 -0.94 -1.64 114.28 113.23 1wm6 n THR 57 Ca 0.05 0.21 0.12 0.00 -2.27 0.00 0.00 64.05 62.16 1wm6 n THR 57 Cb 0.26 -1.01 0.14 0.00 -2.10 0.00 0.00 70.33 67.61 1wm6 n THR 57 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1wm6 n ARG 58 N -1.79 2.06 0.00 -0.78 5.12 -1.11 -4.76 116.66 115.41 1wm6 n ARG 58 Ca 0.03 -1.66 0.00 0.00 -1.93 0.00 0.00 57.85 54.29 1wm6 n ARG 58 Cb 0.21 -1.47 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 1wm6 n ARG 58 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1wm6 n GLY 59 N 1.34 3.08 3.63 -0.13 0.00 -0.65 -5.04 105.19 107.42 1wm6 n GLY 59 Ca 0.14 -1.97 -0.50 0.00 0.00 0.00 0.00 46.02 43.69 1wm6 n GLY 59 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wm6 n PRO 60 N -1.23 1.61 -3.87 1.61 -0.04 -1.26 -4.34 135.00 127.47 1wm6 n PRO 60 Ca 0.00 0.58 -0.11 0.00 -0.04 0.00 0.00 63.50 63.93 1wm6 n PRO 60 Cb 0.00 -2.29 -0.12 0.00 -0.04 0.00 0.00 33.50 31.05 1wm6 n PRO 60 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1wm6 s ALA 61 N 1.07 -0.19 -0.04 0.55 0.00 -1.26 -1.61 121.76 120.28 1wm6 s ALA 61 Ca 0.84 -0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.85 1wm6 s ALA 61 Cb -0.84 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 22.24 1wm6 s ALA 61 CO 0.45 -0.11 -0.23 0.54 0.00 0.00 0.00 175.76 176.41 1wm6 s VAL 62 N -0.62 2.31 0.37 0.00 0.11 -0.64 -4.90 120.40 117.02 1wm6 s VAL 62 Ca -0.07 -0.99 -0.27 0.00 -2.93 0.00 0.00 61.98 57.71 1wm6 s VAL 62 Cb -0.04 -1.84 -0.09 0.00 -1.53 0.00 0.00 36.38 32.87 1wm6 s VAL 62 CO 0.00 0.58 1.28 0.00 -3.33 0.00 0.00 175.10 173.63 1wm6 s ALA 63 N -0.43 3.35 -0.02 1.54 0.00 -1.26 0.14 121.76 125.07 1wm6 s ALA 63 Ca 0.05 1.20 -0.06 0.00 0.00 0.00 0.00 51.96 53.15 1wm6 s ALA 63 Cb -0.12 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.52 1wm6 s ALA 63 CO 0.01 -0.69 -0.12 1.28 0.00 0.00 0.00 175.76 176.25 1wm6 n LEU 64 N 0.44 1.03 -3.89 0.00 4.77 0.00 -4.81 117.00 114.54 1wm6 n LEU 64 Ca 0.02 0.16 -0.16 0.00 -0.03 0.00 0.00 56.01 56.00 1wm6 n LEU 64 Cb 0.43 -0.44 -0.15 0.00 -2.33 0.00 0.00 43.42 40.93 1wm6 n LEU 64 CO 0.57 -0.51 -0.39 -0.55 -1.33 0.00 0.00 177.39 175.18 1wm6 s SER 65 N -5.49 0.48 0.03 -1.43 0.15 -1.18 -5.03 113.70 101.23 1wm6 s SER 65 Ca -0.10 -0.06 0.03 0.00 0.70 0.00 0.00 55.95 56.53 1wm6 s SER 65 Cb 0.01 -0.16 -0.02 0.00 -1.71 0.00 0.00 66.02 64.15 1wm6 s SER 65 CO 0.14 -0.02 -0.10 0.00 1.20 0.00 0.00 173.24 174.46 1wm6 s ARG 67 N -1.10 1.91 -0.21 0.00 3.52 0.98 -4.98 118.95 119.08 1wm6 s ARG 67 Ca -0.02 -0.62 0.01 0.00 -0.13 0.00 0.00 55.73 54.97 1wm6 s ARG 67 Cb -0.07 -1.62 0.04 0.00 -1.56 0.00 0.00 34.95 31.73 1wm6 s ARG 67 CO 0.01 0.22 -0.14 1.41 -0.81 0.00 0.00 175.30 175.98 1wm6 s MET 68 N 0.13 2.45 -0.26 5.12 -2.45 -1.26 -1.08 119.30 121.95 1wm6 s MET 68 Ca -0.06 -0.96 -0.07 0.00 -1.25 0.00 0.00 55.69 53.35 1wm6 s MET 68 Cb -0.13 -2.58 -0.01 0.00 1.25 0.00 0.00 34.83 33.36 1wm6 s MET 68 CO 0.03 -0.38 0.06 -0.51 1.05 0.00 0.00 175.02 175.28 1wm6 s ASP 69 N 1.28 5.05 -0.08 1.11 1.01 -0.08 -4.98 116.67 119.98 1wm6 s ASP 69 Ca -0.01 -0.38 -0.17 0.00 0.71 0.00 0.00 52.55 52.71 1wm6 s ASP 69 Cb -0.16 -1.89 -0.05 0.00 1.01 0.00 0.00 42.92 41.83 1wm6 s ASP 69 CO -0.09 -0.08 0.44 -0.31 0.21 0.00 0.00 175.17 175.33 1wm6 s TYR 70 N 1.57 3.59 -0.07 4.23 2.02 -1.26 -1.07 117.35 126.35 1wm6 s TYR 70 Ca 0.05 0.90 -0.02 0.00 -0.37 0.00 0.00 57.07 57.63 1wm6 s TYR 70 Cb -0.16 -2.44 -0.04 0.00 -0.40 0.00 0.00 41.96 38.93 1wm6 s TYR 70 CO 0.03 0.34 -0.09 1.19 -1.57 0.00 0.00 175.55 175.45 1wm6 n PHE 71 N 3.00 0.00 -4.51 2.71 3.72 -0.40 -5.00 117.46 116.99 1wm6 n PHE 71 Ca -0.10 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.09 1wm6 n PHE 71 Cb 0.52 -0.27 -0.15 0.00 -0.94 0.00 0.00 39.48 38.64 1wm6 n PHE 71 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1wm6 s ARG 72 N -2.14 0.99 0.53 -1.08 0.52 -0.90 -5.05 118.95 111.82 1wm6 s ARG 72 Ca -0.10 -0.51 -0.12 0.00 -0.52 0.00 0.00 55.73 54.48 1wm6 s ARG 72 Cb 0.04 -0.96 -0.06 0.00 0.52 0.00 0.00 34.95 34.49 1wm6 s ARG 72 CO 0.14 0.26 0.94 -1.25 0.02 0.00 0.00 175.30 175.41 1wm6 s PRO 73 N -0.47 3.75 0.02 3.54 0.04 -1.26 -4.84 135.00 135.78 1wm6 s PRO 73 Ca 0.04 0.72 0.05 0.00 0.04 0.00 0.00 61.00 61.85 1wm6 s PRO 73 Cb -0.05 -2.18 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 1wm6 s PRO 73 CO -0.00 -0.33 -0.15 -0.51 0.04 0.00 0.00 177.00 176.05 1wm6 s LEU 74 N -4.51 2.11 0.38 -3.56 1.43 -1.26 -5.00 118.68 108.28 1wm6 s LEU 74 Ca 0.55 -0.38 0.08 0.00 -1.03 0.00 0.00 54.13 53.35 1wm6 s LEU 74 Cb -0.10 -0.71 -0.02 0.00 0.03 0.00 0.00 46.19 45.39 1wm6 s LEU 74 CO 0.41 0.11 0.40 -0.83 0.23 0.00 0.00 176.35 176.67 1wm6 s GLY 75 N -0.78 1.94 0.45 -3.19 0.00 -1.26 0.95 107.32 105.42 1wm6 s GLY 75 Ca 0.04 -1.73 -0.22 0.00 0.00 0.00 0.00 44.72 42.80 1wm6 s GLY 75 CO 0.01 -1.59 0.76 0.00 0.00 0.00 0.00 173.10 172.27 1wm6 n ALA 76 N -1.56 -0.69 0.00 3.20 0.00 -1.26 -2.16 120.51 118.04 1wm6 n ALA 76 Ca 0.02 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1wm6 n ALA 76 Cb 0.60 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1wm6 n ALA 76 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wm6 n GLY 77 N 1.51 2.76 3.75 0.00 0.00 0.52 -4.98 105.19 108.75 1wm6 n GLY 77 Ca 0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1wm6 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wm6 s ALA 78 N -2.16 3.63 -0.28 4.61 0.00 -0.92 -4.74 121.76 121.91 1wm6 s ALA 78 Ca 0.00 1.41 -0.12 0.00 0.00 0.00 0.00 51.96 53.25 1wm6 s ALA 78 Cb 0.00 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.50 1wm6 s ALA 78 CO 0.00 -0.83 0.25 1.03 0.00 0.00 0.00 175.76 176.21 1wm6 s ARG 79 N -0.83 3.98 0.06 0.00 0.52 -1.26 -1.39 118.95 120.02 1wm6 s ARG 79 Ca 0.58 -0.20 0.08 0.00 -0.52 0.00 0.00 55.73 55.67 1wm6 s ARG 79 Cb -0.44 -3.65 -0.03 0.00 0.52 0.00 0.00 34.95 31.35 1wm6 s ARG 79 CO 0.48 -0.20 -0.23 0.54 0.02 0.00 0.00 175.30 175.91 1wm6 s VAL 80 N 1.83 1.85 -0.00 3.52 0.11 0.08 -4.07 120.40 123.72 1wm6 s VAL 80 Ca 0.10 -1.35 0.06 0.00 -2.93 0.00 0.00 61.98 57.85 1wm6 s VAL 80 Cb -0.16 -1.61 -0.02 0.00 -1.53 0.00 0.00 36.38 33.06 1wm6 s VAL 80 CO 0.10 0.20 -0.19 -1.61 -3.33 0.00 0.00 175.10 170.27 1wm6 s GLU 81 N -1.38 1.47 -0.28 1.54 2.02 0.74 -0.94 118.70 121.87 1wm6 s GLU 81 Ca 0.09 -0.71 -0.03 0.00 0.02 0.00 0.00 54.97 54.34 1wm6 s GLU 81 Cb -0.09 -1.44 0.03 0.00 0.10 0.00 0.00 34.13 32.73 1wm6 s GLU 81 CO 0.03 0.39 -0.01 0.00 0.02 0.00 0.00 175.26 175.69 1wm6 s ALA 82 N -0.51 2.82 -0.38 5.21 0.00 0.21 -0.07 121.76 129.05 1wm6 s ALA 82 Ca 0.07 -1.60 -0.09 0.00 0.00 0.00 0.00 51.96 50.33 1wm6 s ALA 82 Cb -0.07 -1.89 0.04 0.00 0.00 0.00 0.00 23.12 21.20 1wm6 s ALA 82 CO -0.00 -1.06 0.19 1.03 0.00 0.00 0.00 175.76 175.92 1wm6 s ARG 83 N 1.32 2.71 -0.19 0.00 0.52 -0.29 -1.00 118.95 122.03 1wm6 s ARG 83 Ca -0.02 -1.20 -0.12 0.00 -0.52 0.00 0.00 55.73 53.87 1wm6 s ARG 83 Cb -0.18 -3.67 -0.05 0.00 0.52 0.00 0.00 34.95 31.57 1wm6 s ARG 83 CO -0.02 -0.75 0.21 0.00 0.02 0.00 0.00 175.30 174.76 1wm6 s ALA 84 N 1.48 3.64 0.04 2.13 0.00 0.11 -1.52 121.76 127.64 1wm6 s ALA 84 Ca 0.01 -0.62 0.05 0.00 0.00 0.00 0.00 51.96 51.40 1wm6 s ALA 84 Cb -0.20 -2.29 -0.02 0.00 0.00 0.00 0.00 23.12 20.60 1wm6 s ALA 84 CO 0.05 0.07 -0.15 0.14 0.00 0.00 0.00 175.76 175.86 1wm6 s VAL 85 N 0.54 1.18 -0.05 0.00 -7.23 -0.42 -1.85 120.40 112.57 1wm6 s VAL 85 Ca 0.12 -1.03 -0.29 0.00 -1.81 0.00 0.00 61.98 58.96 1wm6 s VAL 85 Cb -0.12 -1.06 -0.02 0.00 0.56 0.00 0.00 36.38 35.73 1wm6 s VAL 85 CO 0.01 0.02 0.98 -0.70 -0.31 0.00 0.00 175.10 175.10 1wm6 s GLU 86 N -1.17 4.49 -0.21 4.82 2.12 -1.01 -1.34 118.70 126.40 1wm6 s GLU 86 Ca 0.02 1.38 0.11 0.00 0.36 0.00 0.00 54.97 56.85 1wm6 s GLU 86 Cb -0.08 -3.50 -0.21 0.00 0.26 0.00 0.00 34.13 30.60 1wm6 s GLU 86 CO 0.01 -0.17 -0.04 0.28 -0.54 0.00 0.00 175.26 174.80 1wm6 n VAL 87 N 4.21 1.36 -3.70 3.70 0.31 0.46 -4.93 118.33 119.73 1wm6 n VAL 87 Ca 0.07 -0.72 -0.13 0.00 -0.01 0.00 0.00 64.34 63.56 1wm6 n VAL 87 Cb 0.50 -0.82 -0.09 0.00 -0.91 0.00 0.00 33.84 32.52 1wm6 n VAL 87 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1wm6 s ASN 88 N -5.75 -0.53 -0.10 4.52 2.47 -1.03 -4.97 114.94 109.55 1wm6 s ASN 88 Ca -0.18 0.99 0.00 0.00 0.42 0.00 0.00 52.86 54.09 1wm6 s ASN 88 Cb 0.07 0.98 0.02 0.00 -1.45 0.00 0.00 41.25 40.87 1wm6 s ASN 88 CO 0.71 -0.18 -0.09 -0.22 -3.72 0.00 0.00 177.10 173.60 1wm6 s LEU 89 N 0.47 1.30 0.46 3.21 2.96 -1.26 -1.02 118.68 124.79 1wm6 s LEU 89 Ca -0.02 -0.31 0.03 0.00 -0.22 0.00 0.00 54.13 53.61 1wm6 s LEU 89 Cb -0.04 -0.85 -0.03 0.00 0.50 0.00 0.00 46.19 45.77 1wm6 s LEU 89 CO -0.02 -0.08 0.04 -0.44 -1.32 0.00 0.00 176.35 174.53 1wm6 s SER 90 N 1.48 3.60 0.18 3.68 0.01 0.74 -5.01 113.70 118.39 1wm6 s SER 90 Ca 0.01 -1.60 -0.12 0.00 1.31 0.00 0.00 55.95 55.55 1wm6 s SER 90 Cb -0.13 0.35 0.10 0.00 0.21 0.00 0.00 66.02 66.55 1wm6 s SER 90 CO -0.06 -0.80 1.79 -0.09 0.41 0.00 0.00 173.24 174.49 1wm6 h ARG 91 N 1.58 0.90 -0.00 12.44 2.43 -2.01 -3.32 114.38 126.40 1wm6 h ARG 91 Ca -0.41 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1wm6 h ARG 91 Cb 1.29 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 1wm6 h ARG 91 CO 0.70 0.69 -0.08 0.54 -1.51 0.00 0.00 179.97 180.31 1wm6 n ARG 92 N -4.53 1.83 -3.91 0.20 5.12 -1.26 -4.84 116.66 109.27 1wm6 n ARG 92 Ca 0.05 -0.51 -0.09 0.00 -1.93 0.00 0.00 57.85 55.37 1wm6 n ARG 92 Cb 0.10 -0.96 -0.08 0.00 -1.16 0.00 0.00 32.46 30.36 1wm6 n ARG 92 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1wm6 s THR 93 N -0.79 0.14 -0.03 0.55 -4.23 -1.25 -0.12 115.64 109.91 1wm6 s THR 93 Ca 0.04 -1.31 -0.19 0.00 -1.18 0.00 0.00 61.69 59.05 1wm6 s THR 93 Cb 0.04 -1.45 0.04 0.00 1.34 0.00 0.00 72.50 72.46 1wm6 s THR 93 CO 0.11 -0.64 0.41 0.00 -0.54 0.00 0.00 174.62 173.96 1wm6 s ALA 94 N -3.89 -1.05 -0.02 3.99 0.00 -1.11 -0.18 121.76 119.50 1wm6 s ALA 94 Ca 0.07 0.63 0.05 0.00 0.00 0.00 0.00 51.96 52.71 1wm6 s ALA 94 Cb 0.05 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.17 1wm6 s ALA 94 CO -0.09 -0.29 -0.15 0.99 0.00 0.00 0.00 175.76 176.22 1wm6 s THR 95 N -1.20 1.24 0.06 0.00 2.01 -0.19 -1.18 115.64 116.38 1wm6 s THR 95 Ca -0.12 -0.66 0.05 0.00 0.31 0.00 0.00 61.69 61.28 1wm6 s THR 95 Cb -0.04 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 1wm6 s THR 95 CO 0.05 0.35 -0.15 -0.31 -0.69 0.00 0.00 174.62 173.88 1wm6 s TYR 96 N -0.24 1.30 -0.13 4.92 1.51 0.59 -0.41 117.35 124.88 1wm6 s TYR 96 Ca 0.03 -0.42 -0.03 0.00 -1.01 0.00 0.00 57.07 55.65 1wm6 s TYR 96 Cb -0.07 -0.74 -0.03 0.00 -0.11 0.00 0.00 41.96 41.01 1wm6 s TYR 96 CO 0.00 0.07 -0.04 0.50 -1.11 0.00 0.00 175.55 174.97 1wm6 s ARG 97 N -1.55 3.45 -0.17 -0.62 3.52 -0.45 -1.23 118.95 121.90 1wm6 s ARG 97 Ca 0.00 -0.52 0.00 0.00 -0.13 0.00 0.00 55.73 55.09 1wm6 s ARG 97 Cb -0.09 -2.84 0.03 0.00 -1.56 0.00 0.00 34.95 30.49 1wm6 s ARG 97 CO 0.02 0.36 -0.12 0.08 -0.81 0.00 0.00 175.30 174.83 1wm6 s VAL 98 N 0.05 1.55 -0.18 7.11 1.01 0.23 -1.29 120.40 128.87 1wm6 s VAL 98 Ca -0.00 -0.77 -0.15 0.00 0.00 0.00 0.00 61.98 61.06 1wm6 s VAL 98 Cb -0.13 -1.54 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 1wm6 s VAL 98 CO 0.03 0.32 0.36 -1.61 0.00 0.00 0.00 175.10 174.20 1wm6 s GLU 99 N 1.47 4.21 -0.39 2.72 2.02 -0.58 -0.27 118.70 127.89 1wm6 s GLU 99 Ca 0.02 0.17 -0.16 0.00 0.02 0.00 0.00 54.97 55.03 1wm6 s GLU 99 Cb -0.14 -3.49 0.01 0.00 0.10 0.00 0.00 34.13 30.60 1wm6 s GLU 99 CO -0.09 0.07 0.35 0.08 0.02 0.00 0.00 175.26 175.69 1wm6 s VAL 100 N 0.96 5.19 -0.05 2.63 1.01 -0.40 -1.13 120.40 128.60 1wm6 s VAL 100 Ca 0.18 -0.36 0.06 0.00 0.00 0.00 0.00 61.98 61.86 1wm6 s VAL 100 Cb -0.14 -3.92 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1wm6 s VAL 100 CO 0.07 -0.27 -0.23 -0.69 0.00 0.00 0.00 175.10 173.98 1wm6 s VAL 101 N 1.91 2.24 -0.06 2.92 1.01 0.90 0.11 120.40 129.42 1wm6 s VAL 101 Ca 0.09 -1.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1wm6 s VAL 101 Cb -0.18 -1.82 0.03 0.00 0.00 0.00 0.00 36.38 34.41 1wm6 s VAL 101 CO 0.12 0.57 -0.01 -0.55 0.00 0.00 0.00 175.10 175.23 1wm6 s SER 102 N -0.30 1.39 -1.53 3.32 0.15 -0.68 -0.18 113.70 115.86 1wm6 s SER 102 Ca 0.01 -0.10 -0.10 0.00 0.70 0.00 0.00 55.95 56.46 1wm6 s SER 102 Cb -0.13 -0.44 0.08 0.00 -1.71 0.00 0.00 66.02 63.82 1wm6 s SER 102 CO 0.02 -0.15 0.75 -0.62 1.20 0.00 0.00 173.24 174.44 1wm6 n GLU 103 N 4.82 -4.19 -0.96 5.44 1.02 -1.26 -1.16 120.64 124.35 1wm6 n GLU 103 Ca -0.13 0.48 0.00 0.00 -0.02 0.00 0.00 57.16 57.50 1wm6 n GLU 103 Cb 0.50 -5.10 0.00 0.00 -0.02 0.00 0.00 31.44 26.82 1wm6 n GLU 103 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1wm6 n GLY 104 N -1.66 0.47 3.58 0.62 0.00 -1.26 -5.02 105.19 101.93 1wm6 n GLY 104 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1wm6 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wm6 s LYS 105 N -0.46 2.68 -0.72 1.61 -0.14 -0.31 -5.06 119.74 117.34 1wm6 s LYS 105 Ca 0.00 -0.60 -0.26 0.00 -1.36 0.00 0.00 55.97 53.74 1wm6 s LYS 105 Cb 0.00 -2.56 0.04 0.00 -1.68 0.00 0.00 37.83 33.63 1wm6 s LYS 105 CO 0.00 0.65 1.23 -1.17 -0.76 0.00 0.00 175.35 175.29 1wm6 s LEU 106 N -0.99 3.36 0.14 3.17 2.96 -1.26 -1.69 118.68 124.37 1wm6 s LEU 106 Ca 0.14 -0.51 -0.08 0.00 -0.22 0.00 0.00 54.13 53.46 1wm6 s LEU 106 Cb -0.11 -2.56 -0.05 0.00 0.50 0.00 0.00 46.19 43.97 1wm6 s LEU 106 CO 0.03 -1.76 1.39 0.58 -1.32 0.00 0.00 176.35 175.26 1wm6 h VAL 107 N 6.03 1.31 -2.77 1.68 2.07 -0.66 -3.41 116.25 120.49 1wm6 h VAL 107 Ca -0.28 -1.94 0.06 0.00 0.82 0.00 0.00 66.70 65.36 1wm6 h VAL 107 Cb 1.05 1.91 -0.10 0.00 -1.52 0.00 0.00 31.29 32.64 1wm6 h VAL 107 CO 1.26 0.61 0.31 0.00 0.02 0.00 0.00 177.57 179.77 1wm6 s ALA 108 N -3.82 -1.53 -0.10 1.67 0.00 -1.04 -1.27 121.76 115.67 1wm6 s ALA 108 Ca -0.09 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.15 1wm6 s ALA 108 Cb 0.10 0.76 0.02 0.00 0.00 0.00 0.00 23.12 24.00 1wm6 s ALA 108 CO 0.88 -0.88 -0.11 -1.17 0.00 0.00 0.00 175.76 174.47 1wm6 s LEU 109 N -2.79 1.46 -0.09 0.00 2.96 -0.23 -1.28 118.68 118.71 1wm6 s LEU 109 Ca 0.07 -0.33 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 1wm6 s LEU 109 Cb -0.03 -0.90 -0.02 0.00 0.50 0.00 0.00 46.19 45.75 1wm6 s LEU 109 CO -0.04 -0.04 -0.14 0.12 -1.32 0.00 0.00 176.35 174.93 1wm6 s PHE 110 N 1.22 2.74 -0.08 5.38 2.19 0.63 -0.90 117.98 129.15 1wm6 s PHE 110 Ca -0.04 -0.44 0.02 0.00 0.33 0.00 0.00 56.93 56.80 1wm6 s PHE 110 Cb -0.14 -1.74 0.01 0.00 -1.31 0.00 0.00 43.02 39.85 1wm6 s PHE 110 CO -0.03 -0.04 -0.13 0.99 1.83 0.00 0.00 175.22 177.84 1wm6 s THR 111 N -0.14 1.23 0.02 0.12 2.01 -0.24 0.76 115.64 119.40 1wm6 s THR 111 Ca -0.01 -0.50 -0.03 0.00 0.31 0.00 0.00 61.69 61.45 1wm6 s THR 111 Cb -0.14 -1.14 -0.01 0.00 0.01 0.00 0.00 72.50 71.22 1wm6 s THR 111 CO 0.03 0.38 0.04 -0.83 -0.69 0.00 0.00 174.62 173.56 1wm6 s GLY 112 N 0.90 0.19 -0.03 4.40 0.00 -0.37 -0.01 107.32 112.40 1wm6 s GLY 112 Ca -0.10 -0.49 0.03 0.00 0.00 0.00 0.00 44.72 44.16 1wm6 s GLY 112 CO 0.01 -0.60 -0.11 -1.59 0.00 0.00 0.00 173.10 170.81 1wm6 s THR 113 N -1.79 0.93 0.33 0.90 2.01 -0.65 -0.30 115.64 117.08 1wm6 s THR 113 Ca -0.12 -0.44 0.09 0.00 0.31 0.00 0.00 61.69 61.53 1wm6 s THR 113 Cb -0.07 -0.82 -0.05 0.00 0.01 0.00 0.00 72.50 71.57 1wm6 s THR 113 CO -0.01 0.28 -0.03 0.68 -0.69 0.00 0.00 174.62 174.85 1wm6 s VAL 114 N 0.18 2.61 -0.23 3.82 -7.23 -0.33 -0.82 120.40 118.40 1wm6 s VAL 114 Ca -0.04 -2.06 -0.06 0.00 -1.81 0.00 0.00 61.98 58.02 1wm6 s VAL 114 Cb -0.09 -2.72 -0.02 0.00 0.56 0.00 0.00 36.38 34.10 1wm6 s VAL 114 CO 0.01 -0.23 0.03 0.12 -0.31 0.00 0.00 175.10 174.71 1wm6 s PHE 115 N -2.52 3.05 -0.31 2.82 2.19 0.12 -2.73 117.98 120.59 1wm6 s PHE 115 Ca 0.34 -0.55 -0.28 0.00 0.33 0.00 0.00 56.93 56.76 1wm6 s PHE 115 Cb -0.01 -2.18 0.01 0.00 -1.31 0.00 0.00 43.02 39.54 1wm6 s PHE 115 CO 0.18 -0.38 1.01 1.03 1.83 0.00 0.00 175.22 178.89 1wm6 s ARG 116 N 1.46 4.05 0.00 10.12 0.52 0.83 -1.62 118.95 134.31 1wm6 s ARG 116 Ca 0.05 0.97 0.20 0.00 -0.52 0.00 0.00 55.73 56.44 1wm6 s ARG 116 Cb -0.15 -3.73 1.20 0.00 0.52 0.00 0.00 34.95 32.80 1wm6 s ARG 116 CO 0.01 -0.84 1.59 1.28 0.02 0.00 0.00 175.30 177.36