#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wm6 s ARG 2 N 0.00 4.45 -0.41 0.03 0.52 -1.26 -5.04 118.95 117.24 1wm6 s ARG 2 Ca 0.00 0.95 -0.12 0.00 -0.52 0.00 0.00 55.73 56.04 1wm6 s ARG 2 Cb 0.00 -3.45 0.04 0.00 0.52 0.00 0.00 34.95 32.06 1wm6 s ARG 2 CO 0.00 0.04 0.27 0.34 0.02 0.00 0.00 175.30 175.97 1wm6 s ASP 3 N 0.83 5.87 0.20 0.23 -1.08 -1.26 -4.99 116.67 116.47 1wm6 s ASP 3 Ca 0.39 -1.14 -0.15 0.00 -0.52 0.00 0.00 52.55 51.13 1wm6 s ASP 3 Cb -0.18 -2.07 0.19 0.00 -1.46 0.00 0.00 42.92 39.40 1wm6 s ASP 3 CO 0.19 -0.48 1.62 -0.65 0.52 0.00 0.00 175.17 176.38 1wm6 h PRO 4 N 8.53 -0.04 -0.74 4.34 0.11 -1.99 -0.24 132.00 141.97 1wm6 h PRO 4 Ca -0.26 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.79 1wm6 h PRO 4 Cb 1.10 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1wm6 h PRO 4 CO 0.74 -0.03 0.21 0.35 -0.21 0.00 0.00 178.00 179.06 1wm6 h PHE 5 N -0.04 1.21 -0.72 0.65 3.57 -1.99 0.51 116.94 120.12 1wm6 h PHE 5 Ca 0.27 -0.13 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 1wm6 h PHE 5 Cb 0.46 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1wm6 h PHE 5 CO -0.51 0.96 0.32 0.52 -2.23 0.00 0.00 178.31 177.37 1wm6 h MET 6 N 1.10 1.06 -0.38 1.11 2.86 -1.69 -2.27 114.93 116.73 1wm6 h MET 6 Ca 0.24 -0.17 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 1wm6 h MET 6 Cb 0.33 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1wm6 h MET 6 CO -0.00 0.85 -0.27 0.93 1.06 0.00 0.00 176.91 179.48 1wm6 h GLU 7 N 1.02 0.80 -0.05 1.72 5.08 -0.69 0.90 114.58 123.36 1wm6 h GLU 7 Ca 0.24 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1wm6 h GLU 7 Cb 0.16 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1wm6 h GLU 7 CO -0.03 0.98 -0.11 0.00 -1.00 0.00 0.00 179.01 178.84 1wm6 h ALA 8 N 1.01 1.71 -0.01 3.43 0.00 -0.60 -0.95 119.26 123.85 1wm6 h ALA 8 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1wm6 h ALA 8 Cb 0.80 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1wm6 h ALA 8 CO 0.07 0.21 -0.40 1.28 0.00 0.00 0.00 179.25 180.41 1wm6 n LEU 9 N -4.36 1.19 -0.53 0.00 4.77 -0.88 -4.96 117.00 112.23 1wm6 n LEU 9 Ca -0.02 -0.36 -0.05 0.00 -0.03 0.00 0.00 56.01 55.55 1wm6 n LEU 9 Cb 0.21 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.19 1wm6 n LEU 9 CO 0.36 0.23 -0.06 0.61 -1.33 0.00 0.00 177.39 177.20 1wm6 n GLY 10 N 1.39 0.28 3.75 -0.72 0.00 -0.36 -4.78 105.19 104.75 1wm6 n GLY 10 Ca 0.10 -0.71 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.37 4.62 0.02 0.99 1.43 0.21 -4.61 118.68 119.97 1wm6 s LEU 11 Ca 0.00 1.95 0.09 0.00 -1.03 0.00 0.00 54.13 55.13 1wm6 s LEU 11 Cb 0.00 -3.65 -0.03 0.00 0.03 0.00 0.00 46.19 42.54 1wm6 s LEU 11 CO 0.00 0.13 -0.25 -0.54 0.23 0.00 0.00 176.35 175.92 1wm6 s LYS 12 N -1.27 1.93 -0.45 1.70 -0.14 0.16 -4.64 119.74 117.03 1wm6 s LYS 12 Ca 0.42 -1.04 -0.21 0.00 -1.36 0.00 0.00 55.97 53.79 1wm6 s LYS 12 Cb -0.25 -2.03 0.03 0.00 -1.68 0.00 0.00 37.83 33.89 1wm6 s LYS 12 CO 0.31 0.53 0.64 0.08 -0.76 0.00 0.00 175.35 176.16 1wm6 s VAL 13 N -0.76 4.83 -0.01 3.17 1.01 -1.26 0.30 120.40 127.67 1wm6 s VAL 13 Ca 0.12 0.05 0.12 0.00 0.00 0.00 0.00 61.98 62.26 1wm6 s VAL 13 Cb -0.10 -4.22 -0.22 0.00 0.00 0.00 0.00 36.38 31.84 1wm6 s VAL 13 CO 0.01 -0.63 0.80 -0.07 0.00 0.00 0.00 175.10 175.22 1wm6 h LEU 14 N 9.72 0.00 -7.22 3.92 3.38 -1.21 -3.48 115.31 120.42 1wm6 h LEU 14 Ca -0.26 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 1wm6 h LEU 14 Cb 1.10 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.61 1wm6 h LEU 14 CO 0.90 0.99 -0.15 -2.28 0.09 0.00 0.00 178.44 178.00 1wm6 s HIS 15 N -2.63 -0.56 -0.19 1.13 5.04 -1.07 -4.96 115.29 112.06 1wm6 s HIS 15 Ca -0.03 1.34 -0.05 0.00 -1.54 0.00 0.00 55.06 54.78 1wm6 s HIS 15 Cb 0.08 0.21 0.09 0.00 0.04 0.00 0.00 32.58 33.00 1wm6 s HIS 15 CO 0.82 -0.28 0.33 -1.17 -2.34 0.00 0.00 174.74 172.11 1wm6 s LEU 16 N 0.40 -0.45 0.17 8.88 2.96 -1.26 -0.27 118.68 129.10 1wm6 s LEU 16 Ca -0.01 0.47 -0.04 0.00 -0.22 0.00 0.00 54.13 54.33 1wm6 s LEU 16 Cb -0.04 0.93 -0.03 0.00 0.50 0.00 0.00 46.19 47.56 1wm6 s LEU 16 CO -0.01 -0.27 0.17 0.00 -1.32 0.00 0.00 176.35 174.92 1wm6 s ALA 17 N 2.49 0.63 -0.31 5.97 0.00 -0.90 -5.02 121.76 124.62 1wm6 s ALA 17 Ca 0.05 -1.33 -0.39 0.00 0.00 0.00 0.00 51.96 50.29 1wm6 s ALA 17 Cb -0.13 1.03 -0.14 0.00 0.00 0.00 0.00 23.12 23.87 1wm6 s ALA 17 CO -0.12 -0.59 1.93 -2.30 0.00 0.00 0.00 175.76 174.68 1wm6 n PRO 18 N -0.20 1.07 -0.97 0.00 -0.02 -1.26 -1.07 135.00 132.54 1wm6 n PRO 18 Ca -0.04 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 1wm6 n PRO 18 Cb 0.64 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 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 5.25 0.56 3.28 -1.23 0.00 -1.25 -5.01 105.19 106.78 1wm6 n GLY 19 Ca 0.34 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.26 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 -0.26 0.99 -0.10 1.61 -1.05 -0.24 -2.64 118.70 117.02 1wm6 s GLU 20 Ca 0.00 -0.94 -0.30 0.00 -0.15 0.00 0.00 54.97 53.58 1wm6 s GLU 20 Cb 0.00 0.39 0.12 0.00 -0.44 0.00 0.00 34.13 34.20 1wm6 s GLU 20 CO 0.00 -0.35 0.96 0.00 0.95 0.00 0.00 175.26 176.81 1wm6 s ALA 21 N -3.87 -1.89 -0.07 -0.84 0.00 -0.96 -2.11 121.76 112.01 1wm6 s ALA 21 Ca 0.07 1.35 -0.01 0.00 0.00 0.00 0.00 51.96 53.37 1wm6 s ALA 21 Cb 0.03 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.98 1wm6 s ALA 21 CO -0.09 -0.48 -0.01 0.08 0.00 0.00 0.00 175.76 175.26 1wm6 s VAL 22 N -2.00 0.46 -0.03 0.00 1.01 0.63 -0.31 120.40 120.15 1wm6 s VAL 22 Ca 0.01 0.06 0.05 0.00 0.00 0.00 0.00 61.98 62.10 1wm6 s VAL 22 Cb -0.01 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1wm6 s VAL 22 CO -0.03 0.27 -0.17 -0.69 0.00 0.00 0.00 175.10 174.48 1wm6 s VAL 23 N 1.85 2.84 0.20 2.92 1.01 -0.36 -0.59 120.40 128.28 1wm6 s VAL 23 Ca 0.04 -0.86 0.09 0.00 0.00 0.00 0.00 61.98 61.25 1wm6 s VAL 23 Cb -0.12 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.10 1wm6 s VAL 23 CO -0.05 0.55 -0.17 0.00 0.00 0.00 0.00 175.10 175.43 1wm6 s ALA 24 N -0.74 2.17 0.24 5.51 0.00 0.15 0.30 121.76 129.39 1wm6 s ALA 24 Ca 0.12 -1.63 -0.22 0.00 0.00 0.00 0.00 51.96 50.22 1wm6 s ALA 24 Cb -0.10 -0.17 0.04 0.00 0.00 0.00 0.00 23.12 22.89 1wm6 s ALA 24 CO 0.01 0.19 0.81 0.20 0.00 0.00 0.00 175.76 176.97 1wm6 s GLY 25 N -3.07 -0.13 -0.04 0.00 0.00 -0.07 0.40 107.32 104.42 1wm6 s GLY 25 Ca 0.21 -0.17 0.04 0.00 0.00 0.00 0.00 44.72 44.81 1wm6 s GLY 25 CO 0.08 -0.03 -0.17 1.85 0.00 0.00 0.00 173.10 174.83 1wm6 s GLU 26 N -3.62 1.75 -0.41 2.90 2.12 -1.26 -0.77 118.70 119.40 1wm6 s GLU 26 Ca 0.12 -0.61 -0.29 0.00 0.36 0.00 0.00 54.97 54.55 1wm6 s GLU 26 Cb -0.04 -1.53 0.01 0.00 0.26 0.00 0.00 34.13 32.82 1wm6 s GLU 26 CO 0.05 0.26 1.47 0.08 -0.54 0.00 0.00 175.26 176.58 1wm6 s VAL 27 N -0.01 3.84 0.62 3.70 1.01 0.01 -4.95 120.40 124.62 1wm6 s VAL 27 Ca -0.03 0.84 0.05 0.00 0.00 0.00 0.00 61.98 62.84 1wm6 s VAL 27 Cb -0.11 -4.14 0.09 0.00 0.00 0.00 0.00 36.38 32.23 1wm6 s VAL 27 CO 0.02 -0.73 0.86 -0.13 0.00 0.00 0.00 175.10 175.11 1wm6 s ARG 28 N 5.08 2.10 0.47 2.72 0.52 -1.26 0.51 118.95 129.09 1wm6 s ARG 28 Ca 0.64 -1.34 0.20 0.00 -0.52 0.00 0.00 55.73 54.70 1wm6 s ARG 28 Cb -0.15 -2.52 1.15 0.00 0.52 0.00 0.00 34.95 33.96 1wm6 s ARG 28 CO 0.33 -1.05 2.00 0.00 0.02 0.00 0.00 175.30 176.59 1wm6 h ALA 29 N -0.08 1.45 -0.23 2.13 0.00 -1.99 -2.15 119.26 118.39 1wm6 h ALA 29 Ca -0.34 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1wm6 h ALA 29 Cb 1.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1wm6 h ALA 29 CO 0.41 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 1wm6 n ASP 30 N -3.96 1.96 -0.08 0.00 5.75 -1.26 -3.51 116.55 115.45 1wm6 n ASP 30 Ca -0.02 -2.15 0.01 0.00 -0.01 0.00 0.00 54.79 52.62 1wm6 n ASP 30 Cb 0.27 -0.35 0.02 0.00 -1.03 0.00 0.00 41.12 40.03 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 0.24 0.04 -2.92 2.11 8.25 -0.81 -5.06 115.22 117.07 1wm6 n HIS 31 Ca 0.09 -0.34 -0.25 0.00 -0.26 0.00 0.00 57.72 56.96 1wm6 n HIS 31 Cb 0.38 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.46 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 -0.71 3.71 0.00 2.41 1.43 -1.23 -0.44 118.68 123.84 1wm6 s LEU 32 Ca 0.03 0.61 0.04 0.00 -1.03 0.00 0.00 54.13 53.78 1wm6 s LEU 32 Cb 0.02 -3.51 0.04 0.00 0.03 0.00 0.00 46.19 42.77 1wm6 s LEU 32 CO 0.02 -0.57 0.36 -0.46 0.23 0.00 0.00 176.35 175.93 1wm6 n ASN 33 N -2.11 1.08 0.23 2.29 0.23 -0.29 -4.62 115.26 112.07 1wm6 n ASN 33 Ca -0.01 -1.74 0.08 0.00 -0.53 0.00 0.00 54.58 52.38 1wm6 n ASN 33 Cb 0.56 -0.18 0.57 0.00 -2.08 0.00 0.00 39.78 38.65 1wm6 n ASN 33 CO 0.00 0.00 0.00 -0.07 -0.93 0.00 0.00 177.26 176.26 1wm6 h LEU 34 N 0.00 0.00 0.00 -4.53 3.38 -2.00 -1.99 115.31 110.17 1wm6 h LEU 34 Ca -0.13 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1wm6 h LEU 34 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1wm6 h LEU 34 CO 0.19 0.18 0.00 1.57 0.09 0.00 0.00 178.44 180.47 1wm6 n HIS 35 N -4.07 0.00 -0.49 1.13 -0.00 -1.26 -4.91 115.22 105.62 1wm6 n HIS 35 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.16 1wm6 n HIS 35 Cb 0.26 -0.48 0.00 0.00 -0.12 0.00 0.00 29.99 29.65 1wm6 n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1wm6 n GLY 36 N 1.05 0.75 3.87 1.57 0.00 -0.75 -5.06 105.19 106.62 1wm6 n GLY 36 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.65 2.60 0.15 2.61 -4.23 -1.26 -4.36 115.64 108.50 1wm6 s THR 37 Ca 0.00 -1.36 -0.33 0.00 -1.18 0.00 0.00 61.69 58.82 1wm6 s THR 37 Cb 0.00 -2.96 -0.12 0.00 1.34 0.00 0.00 72.50 70.75 1wm6 s THR 37 CO 0.00 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 175.80 1wm6 n ALA 38 N -1.55 2.07 -1.78 3.99 0.00 0.62 -1.14 120.51 122.72 1wm6 n ALA 38 Ca 0.03 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.45 1wm6 n ALA 38 Cb 0.62 -2.49 -0.01 0.00 0.00 0.00 0.00 19.45 17.57 1wm6 n ALA 38 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1wm6 s HIS 39 N 1.71 2.73 0.50 0.00 2.46 0.41 -4.74 115.29 118.36 1wm6 s HIS 39 Ca 0.79 1.12 0.25 0.00 0.47 0.00 0.00 55.06 57.69 1wm6 s HIS 39 Cb -0.57 -3.96 1.32 0.00 -0.13 0.00 0.00 32.58 29.24 1wm6 s HIS 39 CO 0.37 -2.91 1.92 0.78 -2.47 0.00 0.00 174.74 172.42 1wm6 h GLY 40 N 3.62 0.28 2.00 1.59 0.00 -1.91 0.51 103.07 109.16 1wm6 h GLY 40 Ca -0.49 -0.06 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 1wm6 h GLY 40 CO 0.69 0.01 -0.39 -1.33 0.00 0.00 0.00 176.54 175.51 1wm6 h GLY 41 N 0.14 0.00 0.57 4.60 0.00 -1.95 -1.40 103.07 105.03 1wm6 h GLY 41 Ca 0.38 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.65 1wm6 h GLY 41 CO -0.06 0.00 -0.22 -2.75 0.00 0.00 0.00 176.54 173.52 1wm6 h PHE 42 N 0.00 0.31 -0.76 5.60 3.57 -1.22 -1.17 116.94 123.26 1wm6 h PHE 42 Ca -0.00 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.34 1wm6 h PHE 42 Cb 1.03 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1wm6 h PHE 42 CO 0.00 0.85 0.39 -0.07 -2.23 0.00 0.00 178.31 177.25 1wm6 h LEU 43 N -0.32 0.98 -0.47 0.59 3.38 -1.44 -1.60 115.31 116.43 1wm6 h LEU 43 Ca -0.01 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1wm6 h LEU 43 Cb 0.87 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 1wm6 h LEU 43 CO 0.05 0.82 0.08 0.22 0.09 0.00 0.00 178.44 179.70 1wm6 h TYR 44 N 1.07 0.82 -0.61 1.13 5.03 -1.28 -2.24 116.97 120.90 1wm6 h TYR 44 Ca 0.26 -0.11 0.01 0.00 2.58 0.00 0.00 58.73 61.47 1wm6 h TYR 44 Cb 0.09 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.11 1wm6 h TYR 44 CO 0.01 0.76 0.40 0.00 -1.32 0.00 0.00 178.16 178.01 1wm6 h ALA 45 N 0.96 1.59 0.03 1.82 0.00 -0.90 0.53 119.26 123.30 1wm6 h ALA 45 Ca 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1wm6 h ALA 45 Cb 0.38 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1wm6 h ALA 45 CO 0.01 0.37 -0.01 1.25 0.00 0.00 0.00 179.25 180.86 1wm6 h LEU 46 N 0.80 -0.04 -0.20 0.00 5.85 -0.93 -1.35 115.31 119.45 1wm6 h LEU 46 Ca 0.23 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.73 1wm6 h LEU 46 Cb -0.05 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 1wm6 h LEU 46 CO -0.05 0.18 0.08 0.00 -0.34 0.00 0.00 178.44 178.31 1wm6 h ALA 47 N 0.71 0.25 -0.88 1.25 0.00 -0.80 -2.82 119.26 116.97 1wm6 h ALA 47 Ca -0.00 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 54.87 1wm6 h ALA 47 Cb 0.24 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 1wm6 h ALA 47 CO 0.01 -0.15 0.57 0.22 0.00 0.00 0.00 179.25 179.90 1wm6 h ASP 48 N 0.16 0.83 -0.48 0.00 3.58 0.06 -0.65 116.42 119.92 1wm6 h ASP 48 Ca 0.06 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.50 1wm6 h ASP 48 Cb 0.18 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 1wm6 h ASP 48 CO -0.00 0.51 0.19 0.28 -2.88 0.00 0.00 179.24 177.33 1wm6 h SER 49 N 0.93 0.66 -0.34 2.28 0.02 -1.02 0.15 113.55 116.24 1wm6 h SER 49 Ca 0.39 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 61.12 1wm6 h SER 49 Cb 0.31 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1wm6 h SER 49 CO -0.16 0.65 0.03 0.00 -1.14 0.00 0.00 176.83 176.22 1wm6 h ALA 50 N 1.03 0.45 -0.40 3.77 0.00 -1.13 -2.13 119.26 120.86 1wm6 h ALA 50 Ca 0.16 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1wm6 h ALA 50 Cb 0.20 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1wm6 h ALA 50 CO -0.01 0.18 0.02 0.35 0.00 0.00 0.00 179.25 179.79 1wm6 h PHE 51 N 0.40 0.02 -0.13 0.00 3.57 -0.92 -0.05 116.94 119.83 1wm6 h PHE 51 Ca 0.10 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1wm6 h PHE 51 Cb 0.40 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1wm6 h PHE 51 CO 0.03 -0.05 0.08 0.00 -2.23 0.00 0.00 178.31 176.14 1wm6 h ALA 52 N 1.33 0.17 -0.38 2.41 0.00 -0.47 -1.88 119.26 120.44 1wm6 h ALA 52 Ca 0.19 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1wm6 h ALA 52 Cb 0.26 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1wm6 h ALA 52 CO -0.30 -0.34 0.07 -0.07 0.00 0.00 0.00 179.25 178.61 1wm6 h LEU 53 N 0.16 0.60 -0.53 0.00 3.38 -1.06 -1.39 115.31 116.48 1wm6 h LEU 53 Ca 0.05 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1wm6 h LEU 53 Cb -0.00 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 1wm6 h LEU 53 CO -0.01 0.70 0.35 0.00 0.09 0.00 0.00 178.44 179.57 1wm6 h ALA 54 N 0.92 0.68 0.00 1.53 0.00 -0.93 -2.47 119.26 119.00 1wm6 h ALA 54 Ca 0.12 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1wm6 h ALA 54 Cb 0.35 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1wm6 h ALA 54 CO 0.01 0.10 -0.43 0.66 0.00 0.00 0.00 179.25 179.58 1wm6 h SER 55 N 0.70 0.00 0.72 0.00 4.64 -1.22 -2.71 113.55 115.67 1wm6 h SER 55 Ca 0.20 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 1wm6 h SER 55 Cb -0.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.03 1wm6 h SER 55 CO -0.06 0.43 -0.04 0.78 -0.87 0.00 0.00 176.83 177.08 1wm6 h ASN 56 N 0.00 0.00 0.74 4.97 2.35 -0.79 -1.68 115.58 121.17 1wm6 h ASN 56 Ca -0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1wm6 h ASN 56 Cb 0.86 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.23 1wm6 h ASN 56 CO 0.06 0.04 -0.03 0.71 -1.65 0.00 0.00 177.43 176.55 1wm6 h THR 57 N 0.00 0.11 -0.00 2.81 1.35 -1.24 -2.24 112.91 113.69 1wm6 h THR 57 Ca -0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1wm6 h THR 57 Cb 0.41 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 68.24 1wm6 h THR 57 CO 0.00 0.03 -0.51 0.54 -0.25 0.00 0.00 175.52 175.34 1wm6 n ARG 58 N -3.17 0.45 0.00 4.72 5.12 -0.63 -4.83 116.66 118.31 1wm6 n ARG 58 Ca -0.00 -0.31 0.00 0.00 -1.93 0.00 0.00 57.85 55.61 1wm6 n ARG 58 Cb 0.26 -1.49 0.00 0.00 -1.16 0.00 0.00 32.46 30.07 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 1.44 2.98 3.72 -0.13 0.00 -0.84 -5.07 105.19 107.29 1wm6 n GLY 59 Ca 0.08 -1.96 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 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 -1.35 2.33 -3.51 1.61 -0.04 -1.26 -4.34 135.00 128.45 1wm6 n PRO 60 Ca 0.00 0.82 -0.11 0.00 -0.04 0.00 0.00 63.50 64.17 1wm6 n PRO 60 Cb 0.00 -2.49 -0.02 0.00 -0.04 0.00 0.00 33.50 30.95 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 -0.69 -1.45 -0.07 0.55 0.00 -1.26 -1.47 121.76 117.36 1wm6 s ALA 61 Ca 0.59 0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.89 1wm6 s ALA 61 Cb -0.55 0.86 0.01 0.00 0.00 0.00 0.00 23.12 23.44 1wm6 s ALA 61 CO 0.58 -0.79 -0.15 0.54 0.00 0.00 0.00 175.76 175.94 1wm6 s VAL 62 N -3.78 1.32 0.41 0.00 0.11 -0.10 -4.91 120.40 113.46 1wm6 s VAL 62 Ca 0.03 -0.60 -0.27 0.00 -2.93 0.00 0.00 61.98 58.21 1wm6 s VAL 62 Cb -0.01 -1.18 -0.10 0.00 -1.53 0.00 0.00 36.38 33.56 1wm6 s VAL 62 CO -0.10 0.40 1.46 0.00 -3.33 0.00 0.00 175.10 173.52 1wm6 s ALA 63 N 0.53 3.41 0.00 1.54 0.00 -1.26 -0.33 121.76 125.65 1wm6 s ALA 63 Ca -0.14 1.52 -0.06 0.00 0.00 0.00 0.00 51.96 53.28 1wm6 s ALA 63 Cb -0.16 -3.60 -0.02 0.00 0.00 0.00 0.00 23.12 19.34 1wm6 s ALA 63 CO 0.04 -1.12 -0.12 1.28 0.00 0.00 0.00 175.76 175.85 1wm6 n LEU 64 N 0.14 1.37 -3.91 0.00 4.77 0.29 -4.83 117.00 114.83 1wm6 n LEU 64 Ca 0.03 0.20 -0.18 0.00 -0.03 0.00 0.00 56.01 56.03 1wm6 n LEU 64 Cb 0.40 -0.47 -0.16 0.00 -2.33 0.00 0.00 43.42 40.87 1wm6 n LEU 64 CO 0.61 -0.59 -0.41 -0.55 -1.33 0.00 0.00 177.39 175.13 1wm6 s SER 65 N -5.93 0.80 0.02 -1.43 0.15 -1.17 -5.01 113.70 101.13 1wm6 s SER 65 Ca -0.10 -0.11 0.03 0.00 0.70 0.00 0.00 55.95 56.47 1wm6 s SER 65 Cb 0.01 -0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 64.01 1wm6 s SER 65 CO 0.15 -0.01 -0.10 0.00 1.20 0.00 0.00 173.24 174.48 1wm6 s ARG 67 N -0.81 1.64 -0.11 0.00 3.52 0.98 -4.98 118.95 119.19 1wm6 s ARG 67 Ca -0.01 -0.77 0.00 0.00 -0.13 0.00 0.00 55.73 54.83 1wm6 s ARG 67 Cb -0.06 -1.61 0.02 0.00 -1.56 0.00 0.00 34.95 31.74 1wm6 s ARG 67 CO 0.00 0.44 -0.10 1.41 -0.81 0.00 0.00 175.30 176.24 1wm6 s MET 68 N -0.59 1.69 -0.24 5.12 -2.45 -1.26 -1.16 119.30 120.41 1wm6 s MET 68 Ca 0.08 -0.34 -0.04 0.00 -1.25 0.00 0.00 55.69 54.14 1wm6 s MET 68 Cb -0.08 -1.62 0.00 0.00 1.25 0.00 0.00 34.83 34.38 1wm6 s MET 68 CO -0.00 -0.18 -0.03 -0.51 1.05 0.00 0.00 175.02 175.35 1wm6 s ASP 69 N 1.40 4.44 -0.14 1.11 1.01 0.25 -4.99 116.67 119.76 1wm6 s ASP 69 Ca -0.00 -0.55 -0.17 0.00 0.71 0.00 0.00 52.55 52.54 1wm6 s ASP 69 Cb -0.13 -1.75 -0.04 0.00 1.01 0.00 0.00 42.92 42.01 1wm6 s ASP 69 CO -0.05 -0.07 0.43 -0.31 0.21 0.00 0.00 175.17 175.37 1wm6 s TYR 70 N 1.45 3.49 -0.08 4.23 2.02 -1.26 -0.92 117.35 126.28 1wm6 s TYR 70 Ca 0.04 0.80 -0.01 0.00 -0.37 0.00 0.00 57.07 57.53 1wm6 s TYR 70 Cb -0.15 -2.50 -0.04 0.00 -0.40 0.00 0.00 41.96 38.86 1wm6 s TYR 70 CO -0.03 0.17 -0.08 1.19 -1.57 0.00 0.00 175.55 175.23 1wm6 n PHE 71 N 3.73 0.00 -4.15 2.71 3.72 0.04 -4.99 117.46 118.51 1wm6 n PHE 71 Ca -0.08 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.16 1wm6 n PHE 71 Cb 0.52 -0.29 -0.14 0.00 -0.94 0.00 0.00 39.48 38.63 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 -2.15 0.48 0.49 -1.08 0.52 -0.78 -5.05 118.95 111.39 1wm6 s ARG 72 Ca -0.11 -0.36 -0.14 0.00 -0.52 0.00 0.00 55.73 54.60 1wm6 s ARG 72 Cb 0.03 -0.41 -0.07 0.00 0.52 0.00 0.00 34.95 35.02 1wm6 s ARG 72 CO 0.16 0.10 0.92 -1.25 0.02 0.00 0.00 175.30 175.26 1wm6 s PRO 73 N -0.54 3.86 -0.03 3.54 0.04 -1.26 -4.82 135.00 135.80 1wm6 s PRO 73 Ca -0.01 0.78 0.06 0.00 0.04 0.00 0.00 61.00 61.87 1wm6 s PRO 73 Cb -0.04 -2.21 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 1wm6 s PRO 73 CO -0.00 -0.22 -0.20 -0.51 0.04 0.00 0.00 177.00 176.10 1wm6 s LEU 74 N -4.11 2.01 0.57 -3.56 1.43 -1.26 -5.01 118.68 108.75 1wm6 s LEU 74 Ca 0.56 -0.38 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 1wm6 s LEU 74 Cb -0.10 -1.07 0.04 0.00 0.03 0.00 0.00 46.19 45.09 1wm6 s LEU 74 CO 0.33 0.23 0.80 -0.83 0.23 0.00 0.00 176.35 177.11 1wm6 s GLY 75 N -0.33 1.82 0.46 -3.19 0.00 -1.26 -0.28 107.32 104.54 1wm6 s GLY 75 Ca 0.04 -1.35 -0.25 0.00 0.00 0.00 0.00 44.72 43.16 1wm6 s GLY 75 CO 0.00 -1.05 1.38 0.00 0.00 0.00 0.00 173.10 173.44 1wm6 n ALA 76 N -2.39 1.78 0.00 3.20 0.00 -1.26 -2.23 120.51 119.60 1wm6 n ALA 76 Ca 0.09 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1wm6 n ALA 76 Cb 0.60 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 0.67 3.22 3.76 0.00 0.00 0.18 -5.00 105.19 108.02 1wm6 n GLY 77 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.41 3.65 -0.15 4.61 0.00 -0.95 -4.66 121.76 121.85 1wm6 s ALA 78 Ca 0.00 1.45 -0.13 0.00 0.00 0.00 0.00 51.96 53.29 1wm6 s ALA 78 Cb 0.00 -3.59 -0.05 0.00 0.00 0.00 0.00 23.12 19.48 1wm6 s ALA 78 CO 0.00 -0.87 0.26 1.03 0.00 0.00 0.00 175.76 176.18 1wm6 s ARG 79 N -0.87 4.15 0.05 0.00 0.52 -1.26 -0.81 118.95 120.73 1wm6 s ARG 79 Ca 0.58 0.04 0.02 0.00 -0.52 0.00 0.00 55.73 55.86 1wm6 s ARG 79 Cb -0.45 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 31.61 1wm6 s ARG 79 CO 0.49 0.33 -0.08 0.54 0.02 0.00 0.00 175.30 176.60 1wm6 s VAL 80 N 0.21 0.59 0.05 3.52 0.11 0.05 -4.37 120.40 120.56 1wm6 s VAL 80 Ca 0.15 -1.24 0.07 0.00 -2.93 0.00 0.00 61.98 58.03 1wm6 s VAL 80 Cb -0.13 -0.82 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 1wm6 s VAL 80 CO 0.03 -0.46 -0.18 -1.61 -3.33 0.00 0.00 175.10 169.55 1wm6 s GLU 81 N -1.98 1.19 -0.22 1.54 2.02 0.63 -0.89 118.70 120.98 1wm6 s GLU 81 Ca -0.06 -0.90 -0.01 0.00 0.02 0.00 0.00 54.97 54.02 1wm6 s GLU 81 Cb -0.07 -1.29 0.02 0.00 0.10 0.00 0.00 34.13 32.89 1wm6 s GLU 81 CO -0.00 0.32 -0.10 0.00 0.02 0.00 0.00 175.26 175.49 1wm6 s ALA 82 N -0.87 2.60 -0.34 5.21 0.00 0.15 -0.30 121.76 128.21 1wm6 s ALA 82 Ca 0.05 -1.37 -0.06 0.00 0.00 0.00 0.00 51.96 50.58 1wm6 s ALA 82 Cb -0.09 -1.53 0.05 0.00 0.00 0.00 0.00 23.12 21.55 1wm6 s ALA 82 CO 0.02 -0.65 0.10 1.03 0.00 0.00 0.00 175.76 176.26 1wm6 s ARG 83 N 1.32 2.55 -0.17 0.00 0.52 0.28 -1.23 118.95 122.23 1wm6 s ARG 83 Ca 0.02 -1.25 -0.13 0.00 -0.52 0.00 0.00 55.73 53.85 1wm6 s ARG 83 Cb -0.15 -3.44 -0.05 0.00 0.52 0.00 0.00 34.95 31.83 1wm6 s ARG 83 CO -0.07 -0.70 0.25 0.00 0.02 0.00 0.00 175.30 174.80 1wm6 s ALA 84 N 1.36 3.62 0.00 2.13 0.00 0.58 -1.22 121.76 128.23 1wm6 s ALA 84 Ca -0.01 -0.52 0.03 0.00 0.00 0.00 0.00 51.96 51.46 1wm6 s ALA 84 Cb -0.20 -2.33 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 1wm6 s ALA 84 CO 0.02 0.12 -0.10 0.14 0.00 0.00 0.00 175.76 175.94 1wm6 s VAL 85 N 0.39 0.79 -0.12 0.00 -7.23 -0.25 -2.27 120.40 111.71 1wm6 s VAL 85 Ca 0.14 -0.53 -0.29 0.00 -1.81 0.00 0.00 61.98 59.49 1wm6 s VAL 85 Cb -0.12 -0.68 -0.02 0.00 0.56 0.00 0.00 36.38 36.11 1wm6 s VAL 85 CO 0.02 0.15 1.18 -0.70 -0.31 0.00 0.00 175.10 175.45 1wm6 s GLU 86 N -0.42 4.30 -0.16 4.82 2.12 -1.08 -0.88 118.70 127.40 1wm6 s GLU 86 Ca 0.03 1.60 0.15 0.00 0.36 0.00 0.00 54.97 57.10 1wm6 s GLU 86 Cb -0.05 -3.64 -0.24 0.00 0.26 0.00 0.00 34.13 30.46 1wm6 s GLU 86 CO -0.00 -0.56 0.22 0.28 -0.54 0.00 0.00 175.26 174.67 1wm6 n VAL 87 N 4.98 1.47 -3.67 3.70 0.31 0.30 -4.92 118.33 120.51 1wm6 n VAL 87 Ca 0.12 -0.81 -0.10 0.00 -0.01 0.00 0.00 64.34 63.53 1wm6 n VAL 87 Cb 0.46 -0.73 -0.08 0.00 -0.91 0.00 0.00 33.84 32.57 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 -5.78 -0.72 -0.15 4.52 2.47 -1.00 -4.96 114.94 109.32 1wm6 s ASN 88 Ca -0.11 1.24 -0.00 0.00 0.42 0.00 0.00 52.86 54.41 1wm6 s ASN 88 Cb 0.07 1.16 0.04 0.00 -1.45 0.00 0.00 41.25 41.06 1wm6 s ASN 88 CO 0.81 -0.22 -0.06 -0.22 -3.72 0.00 0.00 177.10 173.69 1wm6 s LEU 89 N 1.12 1.50 0.00 3.21 2.96 -1.26 -0.87 118.68 125.34 1wm6 s LEU 89 Ca -0.06 -0.55 0.01 0.00 -0.22 0.00 0.00 54.13 53.30 1wm6 s LEU 89 Cb -0.06 -0.91 0.01 0.00 0.50 0.00 0.00 46.19 45.73 1wm6 s LEU 89 CO -0.11 -0.16 0.06 -1.20 -1.32 0.00 0.00 176.35 173.63 1wm6 n SER 90 N 4.89 3.15 -0.06 3.68 7.64 0.42 -5.01 113.62 128.33 1wm6 n SER 90 Ca -0.12 -2.96 -0.11 0.00 1.01 0.00 0.00 58.87 56.69 1wm6 n SER 90 Cb 0.48 0.26 0.03 0.00 -1.01 0.00 0.00 64.21 63.97 1wm6 n SER 90 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1wm6 h ARG 91 N 0.00 0.74 0.00 1.43 2.43 -2.00 -3.35 114.38 113.63 1wm6 h ARG 91 Ca -0.37 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.39 1wm6 h ARG 91 Cb 1.15 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1wm6 h ARG 91 CO 0.61 1.03 -1.17 0.54 -1.51 0.00 0.00 179.97 179.48 1wm6 n ARG 92 N -4.02 1.41 -4.18 0.20 5.12 -1.26 -4.79 116.66 109.13 1wm6 n ARG 92 Ca -0.02 -0.07 -0.11 0.00 -1.93 0.00 0.00 57.85 55.72 1wm6 n ARG 92 Cb 0.56 -1.18 -0.10 0.00 -1.16 0.00 0.00 32.46 30.58 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 -2.52 0.05 -0.07 0.55 -4.23 -1.26 0.26 115.64 108.43 1wm6 s THR 93 Ca -0.01 -1.96 -0.23 0.00 -1.18 0.00 0.00 61.69 58.31 1wm6 s THR 93 Cb 0.08 -2.30 0.05 0.00 1.34 0.00 0.00 72.50 71.66 1wm6 s THR 93 CO 0.46 -0.20 0.53 0.00 -0.54 0.00 0.00 174.62 174.87 1wm6 s ALA 94 N -4.10 -1.35 0.01 3.99 0.00 -1.12 -0.43 121.76 118.75 1wm6 s ALA 94 Ca 0.32 1.04 0.05 0.00 0.00 0.00 0.00 51.96 53.37 1wm6 s ALA 94 Cb 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.00 1wm6 s ALA 94 CO 0.08 -0.31 -0.16 0.99 0.00 0.00 0.00 175.76 176.35 1wm6 s THR 95 N -0.92 1.28 0.05 0.00 2.01 -0.05 -0.76 115.64 117.25 1wm6 s THR 95 Ca -0.10 -0.81 0.05 0.00 0.31 0.00 0.00 61.69 61.14 1wm6 s THR 95 Cb -0.03 -1.09 -0.02 0.00 0.01 0.00 0.00 72.50 71.37 1wm6 s THR 95 CO 0.06 0.26 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.81 1wm6 s TYR 96 N -0.53 1.15 -0.15 4.92 1.51 0.14 -0.54 117.35 123.86 1wm6 s TYR 96 Ca 0.05 -0.39 -0.04 0.00 -1.01 0.00 0.00 57.07 55.69 1wm6 s TYR 96 Cb -0.07 -0.67 -0.03 0.00 -0.11 0.00 0.00 41.96 41.08 1wm6 s TYR 96 CO 0.00 0.03 -0.02 0.50 -1.11 0.00 0.00 175.55 174.95 1wm6 s ARG 97 N -1.31 3.67 -0.15 -0.62 3.52 -0.05 -1.67 118.95 122.35 1wm6 s ARG 97 Ca -0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 55.73 55.12 1wm6 s ARG 97 Cb -0.08 -2.96 0.02 0.00 -1.56 0.00 0.00 34.95 30.37 1wm6 s ARG 97 CO 0.01 0.28 -0.14 0.08 -0.81 0.00 0.00 175.30 174.73 1wm6 s VAL 98 N 0.26 1.57 -0.17 7.11 1.01 0.95 -1.09 120.40 130.04 1wm6 s VAL 98 Ca -0.02 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 1wm6 s VAL 98 Cb -0.14 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.72 1wm6 s VAL 98 CO 0.02 0.46 0.26 -1.61 0.00 0.00 0.00 175.10 174.23 1wm6 s GLU 99 N 1.48 4.24 -0.33 2.72 2.02 -0.36 -0.76 118.70 127.71 1wm6 s GLU 99 Ca 0.05 0.03 -0.12 0.00 0.02 0.00 0.00 54.97 54.95 1wm6 s GLU 99 Cb -0.13 -3.42 -0.02 0.00 0.10 0.00 0.00 34.13 30.66 1wm6 s GLU 99 CO -0.11 0.25 0.23 0.08 0.02 0.00 0.00 175.26 175.74 1wm6 s VAL 100 N 0.44 5.24 0.04 2.63 1.01 -0.19 -0.55 120.40 129.01 1wm6 s VAL 100 Ca 0.15 -0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.01 1wm6 s VAL 100 Cb -0.13 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 1wm6 s VAL 100 CO 0.03 0.02 -0.22 -0.69 0.00 0.00 0.00 175.10 174.24 1wm6 s VAL 101 N 1.72 1.75 -0.10 2.92 1.01 0.59 -0.07 120.40 128.21 1wm6 s VAL 101 Ca 0.06 -1.20 -0.03 0.00 0.00 0.00 0.00 61.98 60.81 1wm6 s VAL 101 Cb -0.17 -1.51 0.05 0.00 0.00 0.00 0.00 36.38 34.75 1wm6 s VAL 101 CO 0.10 0.26 0.15 -0.55 0.00 0.00 0.00 175.10 175.07 1wm6 s SER 102 N -1.12 1.01 -1.30 3.32 0.15 -0.62 -0.27 113.70 114.88 1wm6 s SER 102 Ca 0.08 0.15 -0.06 0.00 0.70 0.00 0.00 55.95 56.83 1wm6 s SER 102 Cb -0.09 0.20 -0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1wm6 s SER 102 CO 0.02 -0.27 0.61 -0.62 1.20 0.00 0.00 173.24 174.18 1wm6 n GLU 103 N 5.32 -3.20 -0.89 5.44 1.02 -1.26 -1.50 120.64 125.57 1wm6 n GLU 103 Ca -0.05 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.59 1wm6 n GLU 103 Cb 0.50 -4.64 0.00 0.00 -0.02 0.00 0.00 31.44 27.28 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 -1.76 0.37 3.66 0.62 0.00 -1.26 -5.00 105.19 101.81 1wm6 n GLY 104 Ca -0.25 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.76 2.86 -0.62 1.61 -0.14 -0.56 -5.06 119.74 117.07 1wm6 s LYS 105 Ca 0.00 -0.50 -0.26 0.00 -1.36 0.00 0.00 55.97 53.85 1wm6 s LYS 105 Cb 0.00 -2.70 0.04 0.00 -1.68 0.00 0.00 37.83 33.49 1wm6 s LYS 105 CO 0.00 0.67 1.09 -1.17 -0.76 0.00 0.00 175.35 175.18 1wm6 s LEU 106 N -1.07 3.76 0.06 3.17 2.96 -1.26 -1.58 118.68 124.72 1wm6 s LEU 106 Ca 0.15 -0.37 -0.13 0.00 -0.22 0.00 0.00 54.13 53.56 1wm6 s LEU 106 Cb -0.11 -2.78 -0.27 0.00 0.50 0.00 0.00 46.19 43.52 1wm6 s LEU 106 CO 0.04 -1.47 1.12 0.58 -1.32 0.00 0.00 176.35 175.30 1wm6 h VAL 107 N 6.05 1.30 -2.75 1.68 2.07 -0.81 -3.41 116.25 120.38 1wm6 h VAL 107 Ca -0.27 -2.48 -0.02 0.00 0.82 0.00 0.00 66.70 64.75 1wm6 h VAL 107 Cb 1.06 2.67 -0.14 0.00 -1.52 0.00 0.00 31.29 33.37 1wm6 h VAL 107 CO 1.17 0.75 0.22 0.00 0.02 0.00 0.00 177.57 179.74 1wm6 s ALA 108 N -3.00 -1.65 -0.12 1.67 0.00 -1.11 -0.78 121.76 116.77 1wm6 s ALA 108 Ca -0.09 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.59 1wm6 s ALA 108 Cb 0.06 0.67 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1wm6 s ALA 108 CO 0.93 -0.68 -0.19 -1.17 0.00 0.00 0.00 175.76 174.64 1wm6 s LEU 109 N -2.40 1.95 -0.07 0.00 2.96 -0.10 -1.02 118.68 120.00 1wm6 s LEU 109 Ca -0.01 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.41 1wm6 s LEU 109 Cb -0.01 -1.29 -0.02 0.00 0.50 0.00 0.00 46.19 45.38 1wm6 s LEU 109 CO -0.08 0.07 -0.19 0.12 -1.32 0.00 0.00 176.35 174.94 1wm6 s PHE 110 N 0.80 2.60 -0.07 5.38 2.19 0.06 -0.58 117.98 128.36 1wm6 s PHE 110 Ca -0.09 -0.56 0.03 0.00 0.33 0.00 0.00 56.93 56.64 1wm6 s PHE 110 Cb -0.16 -1.67 0.01 0.00 -1.31 0.00 0.00 43.02 39.89 1wm6 s PHE 110 CO -0.00 -0.12 -0.17 0.99 1.83 0.00 0.00 175.22 177.75 1wm6 s THR 111 N -0.18 1.49 0.00 0.12 2.01 -0.31 -0.03 115.64 118.74 1wm6 s THR 111 Ca -0.02 -0.70 -0.02 0.00 0.31 0.00 0.00 61.69 61.26 1wm6 s THR 111 Cb -0.14 -1.31 -0.01 0.00 0.01 0.00 0.00 72.50 71.05 1wm6 s THR 111 CO 0.03 0.43 0.03 -0.83 -0.69 0.00 0.00 174.62 173.59 1wm6 s GLY 112 N 0.43 0.11 -0.03 4.40 0.00 -0.67 -0.02 107.32 111.55 1wm6 s GLY 112 Ca -0.14 -0.25 0.05 0.00 0.00 0.00 0.00 44.72 44.38 1wm6 s GLY 112 CO 0.05 -0.32 -0.17 -1.59 0.00 0.00 0.00 173.10 171.07 1wm6 s THR 113 N -0.92 1.42 0.39 0.90 2.01 -0.08 -0.68 115.64 118.67 1wm6 s THR 113 Ca -0.10 -0.74 0.08 0.00 0.31 0.00 0.00 61.69 61.24 1wm6 s THR 113 Cb -0.06 -1.20 -0.07 0.00 0.01 0.00 0.00 72.50 71.18 1wm6 s THR 113 CO -0.00 0.40 0.02 0.68 -0.69 0.00 0.00 174.62 175.03 1wm6 s VAL 114 N -0.20 2.18 -0.21 3.82 -7.23 0.06 -0.54 120.40 118.29 1wm6 s VAL 114 Ca 0.02 -1.99 -0.03 0.00 -1.81 0.00 0.00 61.98 58.17 1wm6 s VAL 114 Cb -0.09 -2.90 -0.01 0.00 0.56 0.00 0.00 36.38 33.94 1wm6 s VAL 114 CO 0.01 -0.07 -0.06 0.12 -0.31 0.00 0.00 175.10 174.79 1wm6 s PHE 115 N -2.65 2.93 -0.18 2.82 2.19 0.55 -2.78 117.98 120.87 1wm6 s PHE 115 Ca 0.35 -0.92 -0.28 0.00 0.33 0.00 0.00 56.93 56.42 1wm6 s PHE 115 Cb 0.06 -2.06 -0.00 0.00 -1.31 0.00 0.00 43.02 39.71 1wm6 s PHE 115 CO 0.19 -0.50 0.95 1.03 1.83 0.00 0.00 175.22 178.71 1wm6 s ARG 116 N 1.30 4.31 0.00 10.12 0.52 0.14 -0.92 118.95 134.42 1wm6 s ARG 116 Ca 0.04 1.23 0.32 0.00 -0.52 0.00 0.00 55.73 56.79 1wm6 s ARG 116 Cb -0.14 -3.60 1.87 0.00 0.52 0.00 0.00 34.95 33.61 1wm6 s ARG 116 CO -0.03 -0.45 2.21 1.28 0.02 0.00 0.00 175.30 178.34