#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 2.29 0.61 0.03 1.70 -1.26 -5.05 118.95 117.27 1wm6 s ARG 2 Ca 0.00 1.35 0.00 0.00 -0.47 0.00 0.00 55.73 56.61 1wm6 s ARG 2 Cb 0.00 -1.89 0.06 0.00 -0.57 0.00 0.00 34.95 32.55 1wm6 s ARG 2 CO 0.00 -1.64 0.85 0.16 -1.08 0.00 0.00 175.30 173.59 1wm6 s ASP 3 N -2.89 4.99 0.25 -2.89 1.47 -1.26 -4.92 116.67 111.42 1wm6 s ASP 3 Ca 0.65 -0.10 -0.03 0.00 1.18 0.00 0.00 52.55 54.25 1wm6 s ASP 3 Cb -0.20 -0.62 0.46 0.00 -0.34 0.00 0.00 42.92 42.22 1wm6 s ASP 3 CO 0.50 -1.37 1.77 -0.65 0.68 0.00 0.00 175.17 176.10 1wm6 h PRO 4 N -0.13 0.62 -0.37 2.11 0.11 -1.99 -1.63 132.00 130.72 1wm6 h PRO 4 Ca -0.40 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 1wm6 h PRO 4 Cb 1.29 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1wm6 h PRO 4 CO 0.49 0.41 0.06 0.35 -0.21 0.00 0.00 178.00 179.10 1wm6 h PHE 5 N 0.64 0.66 -0.98 0.65 3.57 -1.99 -0.35 116.94 119.14 1wm6 h PHE 5 Ca 0.43 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.89 1wm6 h PHE 5 Cb 0.54 -0.18 -0.06 0.00 2.79 0.00 0.00 35.95 39.04 1wm6 h PHE 5 CO -0.09 0.66 0.64 0.52 -2.23 0.00 0.00 178.31 177.81 1wm6 h MET 6 N 0.46 1.15 -0.31 1.11 2.86 -1.80 -0.80 114.93 117.60 1wm6 h MET 6 Ca 0.11 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 1wm6 h MET 6 Cb 0.36 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 1wm6 h MET 6 CO 0.01 0.76 0.11 1.49 1.06 0.00 0.00 176.91 180.34 1wm6 h GLU 7 N 1.18 0.47 -0.48 1.72 4.81 -0.89 0.22 114.58 121.61 1wm6 h GLU 7 Ca 0.41 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1wm6 h GLU 7 Cb 0.10 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1wm6 h GLU 7 CO -0.15 0.49 0.31 0.00 -0.73 0.00 0.00 179.01 178.94 1wm6 h ALA 8 N 0.95 1.64 -0.00 2.92 0.00 -0.22 -1.96 119.26 122.60 1wm6 h ALA 8 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1wm6 h ALA 8 Cb 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1wm6 h ALA 8 CO -0.01 0.33 -0.31 1.28 0.00 0.00 0.00 179.25 180.54 1wm6 n LEU 9 N -4.46 0.41 0.00 0.00 4.77 -0.39 -4.93 117.00 112.40 1wm6 n LEU 9 Ca 0.04 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1wm6 n LEU 9 Cb 0.06 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1wm6 n LEU 9 CO 0.36 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 1wm6 n GLY 10 N 1.46 0.40 3.76 -0.72 0.00 -0.15 -4.83 105.19 105.12 1wm6 n GLY 10 Ca 0.07 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 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 0.00 4.63 0.04 0.99 1.43 0.60 -4.63 118.68 121.74 1wm6 s LEU 11 Ca 0.00 1.82 0.07 0.00 -1.03 0.00 0.00 54.13 54.99 1wm6 s LEU 11 Cb 0.00 -3.48 -0.02 0.00 0.03 0.00 0.00 46.19 42.72 1wm6 s LEU 11 CO 0.00 0.18 -0.19 -0.54 0.23 0.00 0.00 176.35 176.02 1wm6 s LYS 12 N -1.15 1.30 -0.16 1.70 1.02 0.40 -4.52 119.74 118.33 1wm6 s LYS 12 Ca 0.39 -0.90 -0.26 0.00 0.02 0.00 0.00 55.97 55.22 1wm6 s LYS 12 Cb -0.25 -1.40 -0.01 0.00 -0.52 0.00 0.00 37.83 35.65 1wm6 s LYS 12 CO 0.30 0.35 0.85 0.08 -0.92 0.00 0.00 175.35 176.01 1wm6 s VAL 13 N -0.81 4.87 -0.15 3.17 1.01 -1.26 -0.40 120.40 126.83 1wm6 s VAL 13 Ca 0.06 1.67 0.16 0.00 0.00 0.00 0.00 61.98 63.87 1wm6 s VAL 13 Cb -0.09 -4.15 -0.22 0.00 0.00 0.00 0.00 36.38 31.92 1wm6 s VAL 13 CO 0.02 0.03 0.10 0.18 0.00 0.00 0.00 175.10 175.43 1wm6 n LEU 14 N 5.18 0.00 -3.61 3.92 4.77 0.39 -4.95 117.00 122.69 1wm6 n LEU 14 Ca 0.05 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.90 1wm6 n LEU 14 Cb 0.49 0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 41.88 1wm6 n LEU 14 CO 0.49 0.37 0.54 -2.28 -1.33 0.00 0.00 177.39 175.17 1wm6 s HIS 15 N -2.53 -0.65 -0.08 -1.77 5.04 -1.08 -4.96 115.29 109.27 1wm6 s HIS 15 Ca -0.08 1.49 -0.06 0.00 -1.54 0.00 0.00 55.06 54.87 1wm6 s HIS 15 Cb 0.06 0.33 0.03 0.00 0.04 0.00 0.00 32.58 33.04 1wm6 s HIS 15 CO 0.71 -0.37 0.20 -1.17 -2.34 0.00 0.00 174.74 171.77 1wm6 s LEU 16 N -0.01 1.08 0.23 8.88 2.96 -1.26 -0.49 118.68 130.05 1wm6 s LEU 16 Ca -0.01 0.40 -0.22 0.00 -0.22 0.00 0.00 54.13 54.08 1wm6 s LEU 16 Cb -0.04 0.64 0.04 0.00 0.50 0.00 0.00 46.19 47.33 1wm6 s LEU 16 CO 0.00 -0.09 0.69 0.00 -1.32 0.00 0.00 176.35 175.64 1wm6 s ALA 17 N 0.40 -1.39 -0.23 5.97 0.00 -0.88 -5.01 121.76 120.62 1wm6 s ALA 17 Ca -0.02 0.02 -0.37 0.00 0.00 0.00 0.00 51.96 51.59 1wm6 s ALA 17 Cb -0.04 0.84 -0.13 0.00 0.00 0.00 0.00 23.12 23.79 1wm6 s ALA 17 CO -0.02 -0.94 1.88 -2.30 0.00 0.00 0.00 175.76 174.39 1wm6 n PRO 18 N -0.43 1.51 -0.99 0.00 -0.02 -1.26 -1.19 135.00 132.62 1wm6 n PRO 18 Ca -0.09 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1wm6 n PRO 18 Cb 0.61 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 4.72 0.71 3.27 -1.23 0.00 -1.26 -4.99 105.19 106.41 1wm6 n GLY 19 Ca 0.28 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.08 0.97 -0.06 1.61 -1.05 -0.34 -2.01 118.70 117.75 1wm6 s GLU 20 Ca 0.00 -0.80 -0.31 0.00 -0.15 0.00 0.00 54.97 53.72 1wm6 s GLU 20 Cb 0.00 0.41 0.08 0.00 -0.44 0.00 0.00 34.13 34.18 1wm6 s GLU 20 CO 0.00 -0.35 0.72 0.00 0.95 0.00 0.00 175.26 176.58 1wm6 s ALA 21 N -3.77 -1.79 -0.09 -0.84 0.00 -1.03 -2.06 121.76 112.17 1wm6 s ALA 21 Ca 0.03 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.33 1wm6 s ALA 21 Cb 0.03 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1wm6 s ALA 21 CO -0.11 -0.38 -0.10 0.08 0.00 0.00 0.00 175.76 175.25 1wm6 s VAL 22 N -1.27 1.12 -0.04 0.00 1.01 0.36 -0.78 120.40 120.80 1wm6 s VAL 22 Ca -0.09 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.54 1wm6 s VAL 22 Cb -0.00 -1.07 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 1wm6 s VAL 22 CO 0.08 0.37 -0.21 -0.69 0.00 0.00 0.00 175.10 174.65 1wm6 s VAL 23 N 1.19 1.72 0.26 2.92 1.01 -0.55 -0.47 120.40 126.48 1wm6 s VAL 23 Ca -0.04 -0.90 0.12 0.00 0.00 0.00 0.00 61.98 61.15 1wm6 s VAL 23 Cb -0.14 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.74 1wm6 s VAL 23 CO -0.03 0.48 -0.18 0.00 0.00 0.00 0.00 175.10 175.38 1wm6 s ALA 24 N -0.23 2.76 0.22 5.51 0.00 0.46 -0.21 121.76 130.27 1wm6 s ALA 24 Ca 0.01 -1.80 -0.22 0.00 0.00 0.00 0.00 51.96 49.95 1wm6 s ALA 24 Cb -0.11 -0.34 0.06 0.00 0.00 0.00 0.00 23.12 22.73 1wm6 s ALA 24 CO 0.01 0.31 0.93 0.20 0.00 0.00 0.00 175.76 177.21 1wm6 s GLY 25 N -3.36 -0.01 -0.00 0.00 0.00 -0.33 -0.45 107.32 103.16 1wm6 s GLY 25 Ca 0.28 -0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.81 1wm6 s GLY 25 CO 0.15 0.63 -0.06 1.85 0.00 0.00 0.00 173.10 175.67 1wm6 s GLU 26 N -2.88 0.50 -0.16 2.90 2.12 -1.26 -0.85 118.70 119.07 1wm6 s GLU 26 Ca 0.15 -0.22 -0.29 0.00 0.36 0.00 0.00 54.97 54.97 1wm6 s GLU 26 Cb -0.03 -0.48 -0.02 0.00 0.26 0.00 0.00 34.13 33.86 1wm6 s GLU 26 CO 0.05 0.13 1.31 0.08 -0.54 0.00 0.00 175.26 176.30 1wm6 s VAL 27 N -0.16 4.19 0.48 3.70 1.01 -0.18 -4.94 120.40 124.50 1wm6 s VAL 27 Ca 0.02 1.43 0.07 0.00 0.00 0.00 0.00 61.98 63.50 1wm6 s VAL 27 Cb -0.02 -3.94 0.01 0.00 0.00 0.00 0.00 36.38 32.43 1wm6 s VAL 27 CO -0.00 -0.14 0.39 -0.13 0.00 0.00 0.00 175.10 175.21 1wm6 s ARG 28 N 3.60 2.35 0.38 2.72 0.52 -1.26 -0.31 118.95 126.96 1wm6 s ARG 28 Ca 0.57 -1.80 0.08 0.00 -0.52 0.00 0.00 55.73 54.06 1wm6 s ARG 28 Cb -0.23 -2.21 0.83 0.00 0.52 0.00 0.00 34.95 33.86 1wm6 s ARG 28 CO 0.17 -0.41 1.96 0.00 0.02 0.00 0.00 175.30 177.04 1wm6 h ALA 29 N 0.91 1.80 -0.07 2.13 0.00 -1.99 -0.85 119.26 121.18 1wm6 h ALA 29 Ca -0.39 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1wm6 h ALA 29 Cb 1.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1wm6 h ALA 29 CO 0.58 0.07 0.00 -0.40 0.00 0.00 0.00 179.25 179.50 1wm6 n ASP 30 N -4.48 0.47 -0.31 0.00 5.75 -1.26 -3.13 116.55 113.59 1wm6 n ASP 30 Ca 0.11 -1.81 0.07 0.00 -0.01 0.00 0.00 54.79 53.14 1wm6 n ASP 30 Cb 0.28 -0.05 -0.00 0.00 -1.03 0.00 0.00 41.12 40.32 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 -0.33 0.00 -2.44 2.11 8.25 -0.33 -5.01 115.22 117.48 1wm6 n HIS 31 Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.23 1wm6 n HIS 31 Cb 0.10 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.19 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 -1.88 3.58 0.00 2.41 1.43 -1.18 -0.67 118.68 122.36 1wm6 s LEU 32 Ca 0.11 1.26 0.01 0.00 -1.03 0.00 0.00 54.13 54.49 1wm6 s LEU 32 Cb 0.11 -4.22 0.01 0.00 0.03 0.00 0.00 46.19 42.12 1wm6 s LEU 32 CO 0.35 -0.61 0.09 -0.46 0.23 0.00 0.00 176.35 175.95 1wm6 n ASN 33 N -1.97 0.50 -0.28 2.29 0.23 -0.63 -4.68 115.26 110.73 1wm6 n ASN 33 Ca 0.04 -1.20 0.09 0.00 -0.53 0.00 0.00 54.58 52.98 1wm6 n ASN 33 Cb 0.54 -0.04 0.24 0.00 -2.08 0.00 0.00 39.78 38.44 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 0.11 -0.12 -4.53 3.38 -1.99 -1.96 115.31 110.20 1wm6 h LEU 34 Ca -0.04 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1wm6 h LEU 34 Cb 0.16 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1wm6 h LEU 34 CO 0.05 -0.05 -0.02 1.41 0.09 0.00 0.00 178.44 179.93 1wm6 n HIS 35 N -5.13 0.00 -0.45 1.13 8.25 -1.26 -4.94 115.22 112.82 1wm6 n HIS 35 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 1wm6 n HIS 35 Cb 0.56 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1wm6 n HIS 35 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1wm6 n GLY 36 N 1.13 0.77 3.56 -1.41 0.00 -0.74 -5.08 105.19 103.42 1wm6 n GLY 36 Ca 0.20 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.00 2.39 -0.00 2.61 -4.23 -1.26 -4.58 115.64 108.56 1wm6 s THR 37 Ca 0.00 -2.17 -0.35 0.00 -1.18 0.00 0.00 61.69 57.98 1wm6 s THR 37 Cb 0.00 -2.64 -0.14 0.00 1.34 0.00 0.00 72.50 71.06 1wm6 s THR 37 CO 0.00 -0.23 1.66 0.00 -0.54 0.00 0.00 174.62 175.51 1wm6 n ALA 38 N -0.81 0.53 -1.80 3.99 0.00 0.14 -1.60 120.51 120.97 1wm6 n ALA 38 Ca -0.05 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.38 1wm6 n ALA 38 Cb 0.63 -2.33 -0.02 0.00 0.00 0.00 0.00 19.45 17.73 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 2.28 2.97 0.54 0.00 2.46 0.15 -4.77 115.29 118.91 1wm6 s HIS 39 Ca 0.87 1.29 0.26 0.00 0.47 0.00 0.00 55.06 57.95 1wm6 s HIS 39 Cb -0.80 -3.77 1.42 0.00 -0.13 0.00 0.00 32.58 29.31 1wm6 s HIS 39 CO 0.48 -2.22 1.99 0.78 -2.47 0.00 0.00 174.74 173.30 1wm6 h GLY 40 N 3.72 0.00 1.80 1.59 0.00 -1.90 0.11 103.07 108.39 1wm6 h GLY 40 Ca -0.49 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 1wm6 h GLY 40 CO 0.68 0.00 -0.27 -1.33 0.00 0.00 0.00 176.54 175.62 1wm6 h GLY 41 N 0.00 0.26 0.52 4.60 0.00 -1.94 -1.61 103.07 104.89 1wm6 h GLY 41 Ca 0.24 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.37 1wm6 h GLY 41 CO -0.00 0.18 -0.00 -2.75 0.00 0.00 0.00 176.54 173.97 1wm6 h PHE 42 N 0.22 0.01 -0.98 5.60 3.57 -1.09 -0.94 116.94 123.33 1wm6 h PHE 42 Ca 0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1wm6 h PHE 42 Cb 0.59 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.28 1wm6 h PHE 42 CO 0.01 0.49 0.62 -0.07 -2.23 0.00 0.00 178.31 177.13 1wm6 h LEU 43 N -0.47 1.15 -0.46 0.59 3.38 -1.42 -1.37 115.31 116.70 1wm6 h LEU 43 Ca 0.00 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 1wm6 h LEU 43 Cb 0.49 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1wm6 h LEU 43 CO 0.00 0.85 -0.12 0.22 0.09 0.00 0.00 178.44 179.48 1wm6 h TYR 44 N 1.34 1.01 -0.98 1.13 5.03 -1.29 -2.25 116.97 120.95 1wm6 h TYR 44 Ca 0.35 -0.22 0.02 0.00 2.58 0.00 0.00 58.73 61.46 1wm6 h TYR 44 Cb -0.11 -0.24 -0.05 0.00 1.55 0.00 0.00 36.73 37.87 1wm6 h TYR 44 CO 0.00 0.99 0.65 0.00 -1.32 0.00 0.00 178.16 178.48 1wm6 h ALA 45 N 0.87 1.33 0.06 1.82 0.00 -0.52 0.43 119.26 123.25 1wm6 h ALA 45 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1wm6 h ALA 45 Cb 0.67 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1wm6 h ALA 45 CO 0.05 0.60 -0.03 1.25 0.00 0.00 0.00 179.25 181.12 1wm6 h LEU 46 N 1.29 -0.07 -0.66 0.00 5.85 -1.10 -1.46 115.31 119.17 1wm6 h LEU 46 Ca 0.37 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 1wm6 h LEU 46 Cb -0.09 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1wm6 h LEU 46 CO -0.10 0.09 0.31 0.00 -0.34 0.00 0.00 178.44 178.41 1wm6 h ALA 47 N 0.70 0.85 -0.36 1.25 0.00 -0.82 -2.64 119.26 118.24 1wm6 h ALA 47 Ca -0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1wm6 h ALA 47 Cb 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1wm6 h ALA 47 CO 0.01 0.41 0.06 0.22 0.00 0.00 0.00 179.25 179.96 1wm6 h ASP 48 N 0.91 0.50 -0.35 0.00 3.58 -0.09 -0.64 116.42 120.33 1wm6 h ASP 48 Ca 0.22 -0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.52 1wm6 h ASP 48 Cb 0.12 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 1wm6 h ASP 48 CO -0.03 0.52 -0.08 0.28 -2.88 0.00 0.00 179.24 177.05 1wm6 h SER 49 N 0.53 0.68 -0.59 2.28 0.02 -0.92 0.14 113.55 115.69 1wm6 h SER 49 Ca 0.12 -0.36 -0.06 0.00 -0.84 0.00 0.00 61.79 60.65 1wm6 h SER 49 Cb 0.24 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.57 1wm6 h SER 49 CO 0.00 0.88 0.13 0.00 -1.14 0.00 0.00 176.83 176.70 1wm6 h ALA 50 N 0.82 0.78 0.18 3.77 0.00 -1.20 -0.48 119.26 123.13 1wm6 h ALA 50 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1wm6 h ALA 50 Cb 0.58 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1wm6 h ALA 50 CO 0.03 0.50 -0.16 0.35 0.00 0.00 0.00 179.25 179.97 1wm6 h PHE 51 N 0.86 -0.40 -0.27 0.00 3.57 -0.92 -0.87 116.94 118.90 1wm6 h PHE 51 Ca 0.18 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1wm6 h PHE 51 Cb 0.37 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1wm6 h PHE 51 CO 0.03 -0.24 0.18 0.00 -2.23 0.00 0.00 178.31 176.05 1wm6 h ALA 52 N 0.43 0.34 -0.12 2.41 0.00 -0.60 -0.51 119.26 121.22 1wm6 h ALA 52 Ca -0.01 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1wm6 h ALA 52 Cb 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1wm6 h ALA 52 CO -0.02 -0.19 0.03 -0.07 0.00 0.00 0.00 179.25 179.00 1wm6 h LEU 53 N 0.36 0.03 -0.77 0.00 3.38 -0.95 -1.78 115.31 115.58 1wm6 h LEU 53 Ca 0.10 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 1wm6 h LEU 53 Cb -0.04 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1wm6 h LEU 53 CO -0.02 0.04 0.32 0.00 0.09 0.00 0.00 178.44 178.86 1wm6 h ALA 54 N 1.08 1.00 -0.65 1.53 0.00 -1.02 -2.98 119.26 118.23 1wm6 h ALA 54 Ca 0.05 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1wm6 h ALA 54 Cb 0.03 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1wm6 h ALA 54 CO -0.06 0.62 0.10 0.66 0.00 0.00 0.00 179.25 180.56 1wm6 h SER 55 N 1.11 1.03 0.58 0.00 4.64 -0.88 -2.68 113.55 117.36 1wm6 h SER 55 Ca 0.26 -0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1wm6 h SER 55 Cb 0.20 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 1wm6 h SER 55 CO -0.02 1.03 0.00 0.59 -0.87 0.00 0.00 176.83 177.56 1wm6 n ASN 56 N -4.21 0.00 0.10 4.97 3.02 -0.69 -2.26 115.26 116.19 1wm6 n ASN 56 Ca 0.04 0.46 0.10 0.00 -0.03 0.00 0.00 54.58 55.15 1wm6 n ASN 56 Cb 0.29 -0.48 0.45 0.00 -0.61 0.00 0.00 39.78 39.43 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 -1.48 0.91 1.05 3.41 -2.24 -1.01 -1.57 114.28 113.34 1wm6 n THR 57 Ca 0.05 0.27 0.12 0.00 -2.27 0.00 0.00 64.05 62.22 1wm6 n THR 57 Cb 0.20 -1.17 0.07 0.00 -2.10 0.00 0.00 70.33 67.33 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 -2.06 1.38 0.00 -0.78 5.12 -0.96 -4.79 116.66 114.57 1wm6 n ARG 58 Ca 0.02 -1.10 0.00 0.00 -1.93 0.00 0.00 57.85 54.84 1wm6 n ARG 58 Cb 0.20 -1.48 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 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 1.39 3.29 3.63 -0.13 0.00 -0.61 -5.04 105.19 107.73 1wm6 n GLY 59 Ca 0.11 -1.89 -0.50 0.00 0.00 0.00 0.00 46.02 43.74 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 1.61 -4.04 1.61 -0.04 -1.26 -4.31 135.00 127.22 1wm6 n PRO 60 Ca 0.00 0.58 -0.09 0.00 -0.04 0.00 0.00 63.50 63.95 1wm6 n PRO 60 Cb 0.00 -2.29 -0.11 0.00 -0.04 0.00 0.00 33.50 31.07 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 0.97 0.35 -0.04 0.55 0.00 -1.26 -1.26 121.76 121.06 1wm6 s ALA 61 Ca 0.83 -0.89 0.04 0.00 0.00 0.00 0.00 51.96 51.95 1wm6 s ALA 61 Cb -0.84 0.19 -0.00 0.00 0.00 0.00 0.00 23.12 22.47 1wm6 s ALA 61 CO 0.44 -0.24 -0.17 0.54 0.00 0.00 0.00 175.76 176.34 1wm6 s VAL 62 N -2.53 1.40 0.26 0.00 0.11 -0.18 -4.94 120.40 114.52 1wm6 s VAL 62 Ca -0.05 -0.70 -0.30 0.00 -2.93 0.00 0.00 61.98 58.01 1wm6 s VAL 62 Cb -0.02 -1.20 -0.10 0.00 -1.53 0.00 0.00 36.38 33.53 1wm6 s VAL 62 CO -0.05 0.40 1.33 0.00 -3.33 0.00 0.00 175.10 173.46 1wm6 s ALA 63 N 0.04 3.54 -0.03 1.54 0.00 -1.26 -0.22 121.76 125.37 1wm6 s ALA 63 Ca -0.04 1.21 -0.05 0.00 0.00 0.00 0.00 51.96 53.08 1wm6 s ALA 63 Cb -0.11 -3.49 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 1wm6 s ALA 63 CO 0.02 -0.60 -0.09 1.28 0.00 0.00 0.00 175.76 176.37 1wm6 n LEU 64 N 1.84 0.69 -4.00 0.00 4.77 -0.16 -4.86 117.00 115.28 1wm6 n LEU 64 Ca 0.04 0.11 -0.20 0.00 -0.03 0.00 0.00 56.01 55.92 1wm6 n LEU 64 Cb 0.42 -0.41 -0.15 0.00 -2.33 0.00 0.00 43.42 40.94 1wm6 n LEU 64 CO 0.59 -0.49 -0.44 -0.55 -1.33 0.00 0.00 177.39 175.17 1wm6 s SER 65 N -5.08 1.18 0.03 -1.43 0.15 -1.16 -5.01 113.70 102.38 1wm6 s SER 65 Ca -0.07 -0.18 0.03 0.00 0.70 0.00 0.00 55.95 56.42 1wm6 s SER 65 Cb 0.01 -0.31 -0.02 0.00 -1.71 0.00 0.00 66.02 63.99 1wm6 s SER 65 CO 0.11 0.06 -0.09 0.00 1.20 0.00 0.00 173.24 174.52 1wm6 s ARG 67 N -1.05 1.56 -0.11 0.00 3.52 0.37 -4.99 118.95 118.26 1wm6 s ARG 67 Ca -0.03 -0.69 0.00 0.00 -0.13 0.00 0.00 55.73 54.88 1wm6 s ARG 67 Cb -0.07 -1.51 0.02 0.00 -1.56 0.00 0.00 34.95 31.83 1wm6 s ARG 67 CO 0.01 0.41 -0.09 1.41 -0.81 0.00 0.00 175.30 176.23 1wm6 s MET 68 N -0.45 1.64 -0.22 5.12 -2.45 -1.26 -1.68 119.30 119.99 1wm6 s MET 68 Ca 0.07 -0.32 -0.03 0.00 -1.25 0.00 0.00 55.69 54.17 1wm6 s MET 68 Cb -0.07 -1.59 0.00 0.00 1.25 0.00 0.00 34.83 34.41 1wm6 s MET 68 CO -0.01 -0.20 -0.06 -0.51 1.05 0.00 0.00 175.02 175.29 1wm6 s ASP 69 N 1.45 4.17 -0.11 1.11 1.01 0.08 -4.98 116.67 119.39 1wm6 s ASP 69 Ca 0.00 -0.53 -0.17 0.00 0.71 0.00 0.00 52.55 52.57 1wm6 s ASP 69 Cb -0.13 -1.70 -0.04 0.00 1.01 0.00 0.00 42.92 42.06 1wm6 s ASP 69 CO -0.06 -0.04 0.42 -0.31 0.21 0.00 0.00 175.17 175.39 1wm6 s TYR 70 N 1.43 3.53 -0.05 4.23 2.02 -1.26 -0.97 117.35 126.27 1wm6 s TYR 70 Ca 0.05 0.83 0.00 0.00 -0.37 0.00 0.00 57.07 57.58 1wm6 s TYR 70 Cb -0.15 -2.47 -0.03 0.00 -0.40 0.00 0.00 41.96 38.92 1wm6 s TYR 70 CO -0.05 0.24 -0.04 1.19 -1.57 0.00 0.00 175.55 175.32 1wm6 n PHE 71 N 3.42 0.00 -4.00 2.71 3.72 -0.08 -4.99 117.46 118.23 1wm6 n PHE 71 Ca -0.09 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.16 1wm6 n PHE 71 Cb 0.52 -0.18 -0.15 0.00 -0.94 0.00 0.00 39.48 38.73 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 -2.09 0.22 0.59 -1.08 0.52 -0.87 -5.04 118.95 111.19 1wm6 s ARG 72 Ca -0.06 -0.06 -0.13 0.00 -0.52 0.00 0.00 55.73 54.95 1wm6 s ARG 72 Cb 0.02 -0.25 -0.05 0.00 0.52 0.00 0.00 34.95 35.19 1wm6 s ARG 72 CO 0.11 0.02 1.02 -1.25 0.02 0.00 0.00 175.30 175.22 1wm6 s PRO 73 N 0.14 3.61 0.06 3.54 0.04 -1.26 -4.85 135.00 136.29 1wm6 s PRO 73 Ca -0.01 0.88 0.05 0.00 0.04 0.00 0.00 61.00 61.97 1wm6 s PRO 73 Cb -0.03 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1wm6 s PRO 73 CO -0.00 -0.55 -0.14 -0.51 0.04 0.00 0.00 177.00 175.83 1wm6 s LEU 74 N -4.79 2.25 0.46 -3.56 1.43 -1.26 -5.00 118.68 108.20 1wm6 s LEU 74 Ca 0.57 -0.58 0.06 0.00 -1.03 0.00 0.00 54.13 53.16 1wm6 s LEU 74 Cb -0.11 -0.55 -0.02 0.00 0.03 0.00 0.00 46.19 45.53 1wm6 s LEU 74 CO 0.45 -0.04 0.26 -0.83 0.23 0.00 0.00 176.35 176.42 1wm6 s GLY 75 N -1.60 2.37 0.33 -3.19 0.00 -1.26 0.28 107.32 104.25 1wm6 s GLY 75 Ca -0.01 -1.69 -0.28 0.00 0.00 0.00 0.00 44.72 42.74 1wm6 s GLY 75 CO 0.02 -1.91 1.21 0.00 0.00 0.00 0.00 173.10 172.42 1wm6 n ALA 76 N -1.44 0.86 0.00 3.20 0.00 -1.26 -2.14 120.51 119.72 1wm6 n ALA 76 Ca -0.02 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1wm6 n ALA 76 Cb 0.64 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.91 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 0.91 3.22 3.70 0.00 0.00 0.58 -4.98 105.19 108.61 1wm6 n GLY 77 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.55 3.72 -0.11 4.61 0.00 -0.91 -4.70 121.76 121.81 1wm6 s ALA 78 Ca 0.00 1.27 -0.22 0.00 0.00 0.00 0.00 51.96 53.01 1wm6 s ALA 78 Cb 0.00 -3.67 -0.03 0.00 0.00 0.00 0.00 23.12 19.42 1wm6 s ALA 78 CO 0.00 -0.99 0.67 1.03 0.00 0.00 0.00 175.76 176.47 1wm6 s ARG 79 N 2.11 4.36 0.12 0.00 0.52 -1.26 -1.01 118.95 123.78 1wm6 s ARG 79 Ca 0.73 0.78 0.07 0.00 -0.52 0.00 0.00 55.73 56.79 1wm6 s ARG 79 Cb -0.41 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.53 1wm6 s ARG 79 CO 0.32 -0.04 -0.16 0.54 0.02 0.00 0.00 175.30 175.98 1wm6 s VAL 80 N 1.19 1.47 -0.00 3.52 0.11 -0.03 -4.28 120.40 122.39 1wm6 s VAL 80 Ca 0.34 -1.65 0.02 0.00 -2.93 0.00 0.00 61.98 57.76 1wm6 s VAL 80 Cb -0.17 -1.52 -0.01 0.00 -1.53 0.00 0.00 36.38 33.16 1wm6 s VAL 80 CO 0.15 -0.29 -0.06 -0.70 -3.33 0.00 0.00 175.10 170.87 1wm6 s GLU 81 N -2.37 0.46 -0.19 1.54 2.12 0.34 -1.19 118.70 119.41 1wm6 s GLU 81 Ca 0.08 -0.25 -0.01 0.00 0.36 0.00 0.00 54.97 55.15 1wm6 s GLU 81 Cb -0.07 -0.43 0.00 0.00 0.26 0.00 0.00 34.13 33.89 1wm6 s GLU 81 CO 0.04 0.12 -0.13 0.00 -0.54 0.00 0.00 175.26 174.75 1wm6 s ALA 82 N -0.23 2.56 -0.27 6.30 0.00 0.70 -0.22 121.76 130.60 1wm6 s ALA 82 Ca 0.01 -1.15 -0.02 0.00 0.00 0.00 0.00 51.96 50.81 1wm6 s ALA 82 Cb -0.03 -1.39 0.03 0.00 0.00 0.00 0.00 23.12 21.74 1wm6 s ALA 82 CO -0.00 -0.29 -0.04 1.03 0.00 0.00 0.00 175.76 176.46 1wm6 s ARG 83 N 1.22 2.68 -0.17 0.00 0.52 0.32 -1.48 118.95 122.04 1wm6 s ARG 83 Ca 0.02 -1.09 -0.08 0.00 -0.52 0.00 0.00 55.73 54.06 1wm6 s ARG 83 Cb -0.14 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.22 1wm6 s ARG 83 CO -0.06 -0.49 0.11 0.00 0.02 0.00 0.00 175.30 174.89 1wm6 s ALA 84 N 1.30 3.64 0.02 2.13 0.00 0.04 -1.18 121.76 127.71 1wm6 s ALA 84 Ca -0.02 -0.70 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1wm6 s ALA 84 Cb -0.18 -2.03 -0.02 0.00 0.00 0.00 0.00 23.12 20.89 1wm6 s ALA 84 CO -0.03 0.28 -0.10 0.14 0.00 0.00 0.00 175.76 176.06 1wm6 s VAL 85 N 0.00 0.75 -0.09 0.00 -7.23 -0.35 -2.47 120.40 111.02 1wm6 s VAL 85 Ca 0.09 -0.76 -0.30 0.00 -1.81 0.00 0.00 61.98 59.20 1wm6 s VAL 85 Cb -0.12 -0.70 -0.02 0.00 0.56 0.00 0.00 36.38 36.11 1wm6 s VAL 85 CO -0.00 -0.05 1.05 -0.70 -0.31 0.00 0.00 175.10 175.09 1wm6 s GLU 86 N -0.90 4.41 -0.17 4.82 2.12 -0.85 -1.20 118.70 126.92 1wm6 s GLU 86 Ca -0.01 1.45 0.07 0.00 0.36 0.00 0.00 54.97 56.84 1wm6 s GLU 86 Cb -0.07 -3.54 -0.22 0.00 0.26 0.00 0.00 34.13 30.56 1wm6 s GLU 86 CO 0.00 -0.33 0.14 0.28 -0.54 0.00 0.00 175.26 174.82 1wm6 n VAL 87 N 4.53 1.54 -3.70 3.70 0.31 0.00 -4.94 118.33 119.78 1wm6 n VAL 87 Ca 0.09 -0.71 -0.13 0.00 -0.01 0.00 0.00 64.34 63.58 1wm6 n VAL 87 Cb 0.48 -1.14 -0.09 0.00 -0.91 0.00 0.00 33.84 32.18 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 -6.25 -0.54 -0.14 4.52 2.47 -1.08 -4.98 114.94 108.95 1wm6 s ASN 88 Ca -0.20 1.01 -0.01 0.00 0.42 0.00 0.00 52.86 54.09 1wm6 s ASN 88 Cb 0.07 1.01 0.04 0.00 -1.45 0.00 0.00 41.25 40.92 1wm6 s ASN 88 CO 0.74 -0.18 -0.03 -0.22 -3.72 0.00 0.00 177.10 173.70 1wm6 s LEU 89 N 0.41 1.22 0.45 3.21 2.96 -1.26 -1.29 118.68 124.37 1wm6 s LEU 89 Ca -0.01 -0.49 0.05 0.00 -0.22 0.00 0.00 54.13 53.47 1wm6 s LEU 89 Cb -0.04 -0.74 -0.05 0.00 0.50 0.00 0.00 46.19 45.86 1wm6 s LEU 89 CO -0.01 -0.19 0.06 -0.44 -1.32 0.00 0.00 176.35 174.44 1wm6 s SER 90 N 1.76 4.09 0.31 3.68 0.01 0.43 -5.02 113.70 118.95 1wm6 s SER 90 Ca 0.02 -1.39 0.03 0.00 1.31 0.00 0.00 55.95 55.92 1wm6 s SER 90 Cb -0.14 -0.11 0.50 0.00 0.21 0.00 0.00 66.02 66.48 1wm6 s SER 90 CO -0.07 -0.62 1.80 0.08 0.41 0.00 0.00 173.24 174.84 1wm6 h ARG 91 N 1.54 0.52 0.00 12.44 -0.00 -2.00 -3.30 114.38 123.58 1wm6 h ARG 91 Ca -0.43 -0.15 0.00 0.00 -0.00 0.00 0.00 59.98 59.40 1wm6 h ARG 91 Cb 1.27 -0.06 0.00 0.00 -0.00 0.00 0.00 29.97 31.18 1wm6 h ARG 91 CO 0.76 0.64 -0.82 0.54 -0.00 0.00 0.00 179.97 181.09 1wm6 n ARG 92 N -4.20 2.45 -4.06 0.08 5.12 -1.26 -4.80 116.66 109.98 1wm6 n ARG 92 Ca 0.01 -0.03 -0.10 0.00 -1.93 0.00 0.00 57.85 55.80 1wm6 n ARG 92 Cb 0.32 -1.10 -0.08 0.00 -1.16 0.00 0.00 32.46 30.44 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 -2.27 0.06 -0.04 0.55 -4.23 -1.24 -0.42 115.64 108.04 1wm6 s THR 93 Ca 0.02 -1.65 -0.23 0.00 -1.18 0.00 0.00 61.69 58.65 1wm6 s THR 93 Cb 0.08 -2.05 0.05 0.00 1.34 0.00 0.00 72.50 71.92 1wm6 s THR 93 CO 0.47 -0.26 0.51 0.00 -0.54 0.00 0.00 174.62 174.79 1wm6 s ALA 94 N -4.03 -1.31 0.00 3.99 0.00 -1.05 -0.43 121.76 118.93 1wm6 s ALA 94 Ca 0.23 0.86 0.04 0.00 0.00 0.00 0.00 51.96 53.10 1wm6 s ALA 94 Cb 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 1wm6 s ALA 94 CO 0.04 -0.32 -0.14 0.99 0.00 0.00 0.00 175.76 176.33 1wm6 s THR 95 N -1.24 1.11 0.07 0.00 2.01 -0.42 -0.59 115.64 116.58 1wm6 s THR 95 Ca -0.12 -0.71 0.05 0.00 0.31 0.00 0.00 61.69 61.22 1wm6 s THR 95 Cb -0.02 -0.95 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 1wm6 s THR 95 CO 0.07 0.23 -0.13 -0.31 -0.69 0.00 0.00 174.62 173.78 1wm6 s TYR 96 N -0.47 1.16 -0.11 4.92 1.51 0.11 -0.82 117.35 123.65 1wm6 s TYR 96 Ca 0.04 -0.47 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 1wm6 s TYR 96 Cb -0.06 -0.65 -0.03 0.00 -0.11 0.00 0.00 41.96 41.11 1wm6 s TYR 96 CO -0.00 0.04 -0.07 0.50 -1.11 0.00 0.00 175.55 174.91 1wm6 s ARG 97 N -1.76 3.19 -0.15 -0.62 3.52 -0.34 -1.43 118.95 121.35 1wm6 s ARG 97 Ca -0.03 -0.56 -0.00 0.00 -0.13 0.00 0.00 55.73 55.01 1wm6 s ARG 97 Cb -0.10 -2.71 0.03 0.00 -1.56 0.00 0.00 34.95 30.62 1wm6 s ARG 97 CO 0.02 0.43 -0.09 0.08 -0.81 0.00 0.00 175.30 174.93 1wm6 s VAL 98 N -0.19 1.29 -0.16 7.11 1.01 0.12 -1.21 120.40 128.38 1wm6 s VAL 98 Ca 0.02 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.27 1wm6 s VAL 98 Cb -0.13 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.87 1wm6 s VAL 98 CO 0.03 0.29 0.30 -1.61 0.00 0.00 0.00 175.10 174.11 1wm6 s GLU 99 N 1.58 4.26 -0.33 2.72 2.02 -0.33 -0.66 118.70 127.96 1wm6 s GLU 99 Ca 0.03 0.10 -0.10 0.00 0.02 0.00 0.00 54.97 55.02 1wm6 s GLU 99 Cb -0.14 -3.43 -0.00 0.00 0.10 0.00 0.00 34.13 30.66 1wm6 s GLU 99 CO -0.09 0.23 0.18 0.08 0.02 0.00 0.00 175.26 175.68 1wm6 s VAL 100 N 0.50 4.73 0.02 2.63 1.01 -0.63 -0.52 120.40 128.14 1wm6 s VAL 100 Ca 0.17 -0.46 0.08 0.00 0.00 0.00 0.00 61.98 61.76 1wm6 s VAL 100 Cb -0.13 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 1wm6 s VAL 100 CO 0.04 -0.00 -0.22 -0.69 0.00 0.00 0.00 175.10 174.22 1wm6 s VAL 101 N 1.62 1.80 -0.07 2.92 1.01 0.69 -0.08 120.40 128.29 1wm6 s VAL 101 Ca 0.04 -1.15 -0.03 0.00 0.00 0.00 0.00 61.98 60.85 1wm6 s VAL 101 Cb -0.17 -1.53 0.04 0.00 0.00 0.00 0.00 36.38 34.72 1wm6 s VAL 101 CO 0.07 0.35 0.13 -0.55 0.00 0.00 0.00 175.10 175.10 1wm6 s SER 102 N -0.95 0.84 -1.45 3.32 0.15 -0.67 -0.50 113.70 114.44 1wm6 s SER 102 Ca 0.09 0.26 -0.08 0.00 0.70 0.00 0.00 55.95 56.92 1wm6 s SER 102 Cb -0.09 0.15 0.05 0.00 -1.71 0.00 0.00 66.02 64.43 1wm6 s SER 102 CO 0.01 -0.24 0.80 -0.62 1.20 0.00 0.00 173.24 174.38 1wm6 n GLU 103 N 5.29 -4.83 -0.80 5.44 1.02 -1.26 -1.54 120.64 123.96 1wm6 n GLU 103 Ca -0.05 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 1wm6 n GLU 103 Cb 0.50 -5.22 0.00 0.00 -0.02 0.00 0.00 31.44 26.70 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 -1.67 1.09 3.81 0.62 0.00 -1.26 -5.02 105.19 102.75 1wm6 n GLY 104 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.13 3.19 -0.54 1.61 -0.14 -0.59 -5.05 119.74 118.09 1wm6 s LYS 105 Ca 0.00 -0.37 -0.27 0.00 -1.36 0.00 0.00 55.97 53.97 1wm6 s LYS 105 Cb 0.00 -2.96 0.03 0.00 -1.68 0.00 0.00 37.83 33.23 1wm6 s LYS 105 CO 0.00 0.69 1.07 -1.17 -0.76 0.00 0.00 175.35 175.18 1wm6 s LEU 106 N -1.49 3.74 0.03 3.17 2.96 -1.26 -1.66 118.68 124.16 1wm6 s LEU 106 Ca 0.20 0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 54.05 1wm6 s LEU 106 Cb -0.12 -3.14 -0.33 0.00 0.50 0.00 0.00 46.19 43.10 1wm6 s LEU 106 CO 0.11 -1.31 0.97 0.58 -1.32 0.00 0.00 176.35 175.38 1wm6 h VAL 107 N 6.12 1.27 -2.91 1.68 2.07 -0.83 -3.41 116.25 120.24 1wm6 h VAL 107 Ca -0.25 -2.76 -0.03 0.00 0.82 0.00 0.00 66.70 64.47 1wm6 h VAL 107 Cb 1.06 2.96 -0.13 0.00 -1.52 0.00 0.00 31.29 33.66 1wm6 h VAL 107 CO 1.13 0.84 0.15 0.00 0.02 0.00 0.00 177.57 179.70 1wm6 s ALA 108 N -2.61 -1.50 -0.07 1.67 0.00 -1.12 -0.90 121.76 117.22 1wm6 s ALA 108 Ca -0.09 0.53 0.03 0.00 0.00 0.00 0.00 51.96 52.43 1wm6 s ALA 108 Cb 0.05 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.88 1wm6 s ALA 108 CO 0.91 -0.68 -0.18 -1.17 0.00 0.00 0.00 175.76 174.65 1wm6 s LEU 109 N -2.49 1.87 -0.02 0.00 2.96 -0.15 -1.61 118.68 119.24 1wm6 s LEU 109 Ca -0.01 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 53.55 1wm6 s LEU 109 Cb -0.00 -1.09 -0.02 0.00 0.50 0.00 0.00 46.19 45.58 1wm6 s LEU 109 CO -0.09 0.11 -0.22 0.12 -1.32 0.00 0.00 176.35 174.95 1wm6 s PHE 110 N 0.42 1.97 -0.06 5.38 2.19 0.16 -0.74 117.98 127.31 1wm6 s PHE 110 Ca -0.14 -0.40 0.02 0.00 0.33 0.00 0.00 56.93 56.73 1wm6 s PHE 110 Cb -0.16 -1.27 0.01 0.00 -1.31 0.00 0.00 43.02 40.29 1wm6 s PHE 110 CO 0.06 -0.06 -0.11 0.99 1.83 0.00 0.00 175.22 177.93 1wm6 s THR 111 N -0.44 1.01 0.01 0.12 2.01 -0.68 0.16 115.64 117.83 1wm6 s THR 111 Ca 0.07 -0.42 0.00 0.00 0.31 0.00 0.00 61.69 61.65 1wm6 s THR 111 Cb -0.09 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.48 1wm6 s THR 111 CO -0.00 0.32 -0.02 -0.83 -0.69 0.00 0.00 174.62 173.40 1wm6 s GLY 112 N 0.63 0.16 -0.03 4.40 0.00 -0.51 -0.48 107.32 111.49 1wm6 s GLY 112 Ca -0.13 -0.37 0.06 0.00 0.00 0.00 0.00 44.72 44.29 1wm6 s GLY 112 CO 0.03 -0.40 -0.20 -1.59 0.00 0.00 0.00 173.10 170.93 1wm6 s THR 113 N -0.86 1.61 0.32 0.90 2.01 -0.10 -0.71 115.64 118.81 1wm6 s THR 113 Ca -0.09 -0.85 0.10 0.00 0.31 0.00 0.00 61.69 61.16 1wm6 s THR 113 Cb -0.06 -1.35 -0.06 0.00 0.01 0.00 0.00 72.50 71.04 1wm6 s THR 113 CO -0.01 0.46 -0.13 0.68 -0.69 0.00 0.00 174.62 174.93 1wm6 s VAL 114 N -0.31 2.33 -0.20 3.82 -7.23 0.24 -0.98 120.40 118.06 1wm6 s VAL 114 Ca 0.04 -2.27 -0.06 0.00 -1.81 0.00 0.00 61.98 57.88 1wm6 s VAL 114 Cb -0.09 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.29 1wm6 s VAL 114 CO 0.00 -0.27 0.02 0.12 -0.31 0.00 0.00 175.10 174.67 1wm6 s PHE 115 N -2.57 3.08 -0.30 2.82 2.19 0.70 -2.54 117.98 121.35 1wm6 s PHE 115 Ca 0.32 -0.36 -0.25 0.00 0.33 0.00 0.00 56.93 56.97 1wm6 s PHE 115 Cb -0.00 -2.11 0.00 0.00 -1.31 0.00 0.00 43.02 39.61 1wm6 s PHE 115 CO 0.16 -0.19 0.85 1.03 1.83 0.00 0.00 175.22 178.89 1wm6 s ARG 116 N 0.99 4.01 0.00 10.12 0.52 0.44 -1.01 118.95 134.02 1wm6 s ARG 116 Ca 0.02 0.72 0.22 0.00 -0.52 0.00 0.00 55.73 56.18 1wm6 s ARG 116 Cb -0.14 -3.72 1.32 0.00 0.52 0.00 0.00 34.95 32.93 1wm6 s ARG 116 CO 0.02 -0.70 1.70 1.28 0.02 0.00 0.00 175.30 177.62