#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wm6 h PRO 4 N 0.00 -0.34 -0.64 -0.67 0.11 -2.03 -0.81 132.00 127.62 1wm6 h PRO 4 Ca 0.00 0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.17 1wm6 h PRO 4 Cb 0.00 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.14 1wm6 h PRO 4 CO 0.00 -0.23 0.37 0.35 -0.21 0.00 0.00 178.00 178.29 1wm6 h PHE 5 N -0.36 0.70 -0.40 0.65 3.57 -2.03 0.11 116.94 119.19 1wm6 h PHE 5 Ca 0.06 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.59 1wm6 h PHE 5 Cb 0.51 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 1wm6 h PHE 5 CO -0.69 0.37 0.26 0.52 -2.23 0.00 0.00 178.31 176.54 1wm6 h MET 6 N 0.72 0.51 -0.63 1.11 2.86 -1.84 -1.96 114.93 115.70 1wm6 h MET 6 Ca 0.27 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.81 1wm6 h MET 6 Cb 0.09 -0.11 -0.03 0.00 0.06 0.00 0.00 31.60 31.61 1wm6 h MET 6 CO -0.14 0.34 0.13 0.93 1.06 0.00 0.00 176.91 179.23 1wm6 h GLU 7 N 0.52 1.03 0.00 1.72 4.39 -0.69 -0.05 114.58 121.51 1wm6 h GLU 7 Ca 0.15 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.59 1wm6 h GLU 7 Cb -0.05 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.47 1wm6 h GLU 7 CO -0.04 0.94 0.00 0.00 -1.16 0.00 0.00 179.01 178.75 1wm6 h ALA 8 N 1.04 1.00 -0.00 3.43 0.00 -0.44 -0.98 119.26 123.32 1wm6 h ALA 8 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1wm6 h ALA 8 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1wm6 h ALA 8 CO 0.01 0.00 -0.67 1.28 0.00 0.00 0.00 179.25 179.87 1wm6 n LEU 9 N -2.61 1.03 -1.14 0.00 4.77 -0.77 -4.99 117.00 113.29 1wm6 n LEU 9 Ca -0.01 -0.57 -0.06 0.00 -0.03 0.00 0.00 56.01 55.34 1wm6 n LEU 9 Cb 0.14 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.24 1wm6 n LEU 9 CO 0.18 0.23 0.04 0.61 -1.33 0.00 0.00 177.39 177.11 1wm6 n GLY 10 N 1.34 0.49 3.87 -0.72 0.00 -0.37 -4.81 105.19 105.00 1wm6 n GLY 10 Ca 0.04 -0.49 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.37 4.35 -0.01 0.99 1.43 -0.17 -4.52 118.68 118.39 1wm6 s LEU 11 Ca 0.12 0.43 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 1wm6 s LEU 11 Cb -0.05 -2.14 -0.00 0.00 0.03 0.00 0.00 46.19 44.02 1wm6 s LEU 11 CO 0.15 0.39 -0.08 -0.54 0.23 0.00 0.00 176.35 176.49 1wm6 s LYS 12 N -1.16 0.73 -0.40 1.70 1.02 -0.52 -4.51 119.74 116.59 1wm6 s LYS 12 Ca 0.17 -0.29 -0.29 0.00 0.02 0.00 0.00 55.97 55.58 1wm6 s LYS 12 Cb -0.12 -0.70 0.01 0.00 -0.52 0.00 0.00 37.83 36.50 1wm6 s LYS 12 CO 0.06 0.16 1.42 0.08 -0.92 0.00 0.00 175.35 176.16 1wm6 s VAL 13 N -0.10 3.89 -0.74 3.17 1.01 -1.26 -1.79 120.40 124.59 1wm6 s VAL 13 Ca 0.02 0.92 0.25 0.00 0.00 0.00 0.00 61.98 63.16 1wm6 s VAL 13 Cb -0.04 -4.18 0.05 0.00 0.00 0.00 0.00 36.38 32.21 1wm6 s VAL 13 CO -0.00 -0.73 1.37 0.18 0.00 0.00 0.00 175.10 175.92 1wm6 n LEU 14 N 8.82 0.62 -3.60 3.92 4.77 0.65 -4.94 117.00 127.25 1wm6 n LEU 14 Ca 0.17 0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 56.24 1wm6 n LEU 14 Cb 0.48 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1wm6 n LEU 14 CO 0.70 -0.01 0.82 -2.28 -1.33 0.00 0.00 177.39 175.29 1wm6 s HIS 15 N -3.12 -0.34 -0.42 -1.77 5.04 -1.09 -4.95 115.29 108.64 1wm6 s HIS 15 Ca 0.08 0.64 0.05 0.00 -1.54 0.00 0.00 55.06 54.29 1wm6 s HIS 15 Cb 0.15 0.44 0.17 0.00 0.04 0.00 0.00 32.58 33.38 1wm6 s HIS 15 CO 0.71 -0.28 0.52 -1.17 -2.34 0.00 0.00 174.74 172.18 1wm6 s LEU 16 N -0.85 -0.59 0.34 8.88 2.96 -1.26 -1.71 118.68 126.45 1wm6 s LEU 16 Ca 0.00 -1.60 0.07 0.00 -0.22 0.00 0.00 54.13 52.39 1wm6 s LEU 16 Cb -0.01 1.12 -0.02 0.00 0.50 0.00 0.00 46.19 47.78 1wm6 s LEU 16 CO -0.01 -0.17 0.35 0.00 -1.32 0.00 0.00 176.35 175.20 1wm6 s ALA 17 N 1.23 3.98 0.17 5.97 0.00 -1.17 -5.01 121.76 126.93 1wm6 s ALA 17 Ca 0.22 -1.61 -0.33 0.00 0.00 0.00 0.00 51.96 50.23 1wm6 s ALA 17 Cb -0.06 -1.31 -0.13 0.00 0.00 0.00 0.00 23.12 21.62 1wm6 s ALA 17 CO -0.06 -0.02 1.67 -2.30 0.00 0.00 0.00 175.76 175.05 1wm6 n PRO 18 N -1.47 2.47 -0.95 0.00 -0.02 -1.26 -1.69 135.00 132.08 1wm6 n PRO 18 Ca -0.01 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1wm6 n PRO 18 Cb 0.59 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 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 3.75 0.75 3.70 -1.23 0.00 -1.26 -4.98 105.19 105.92 1wm6 n GLY 19 Ca 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.17 1.92 -0.14 1.61 -1.05 -0.68 -1.98 118.70 118.21 1wm6 s GLU 20 Ca 0.00 -1.38 -0.33 0.00 -0.15 0.00 0.00 54.97 53.11 1wm6 s GLU 20 Cb 0.00 0.55 0.13 0.00 -0.44 0.00 0.00 34.13 34.37 1wm6 s GLU 20 CO 0.00 -0.86 1.12 0.00 0.95 0.00 0.00 175.26 176.47 1wm6 s ALA 21 N -3.17 -2.00 -0.06 -0.84 0.00 -0.97 -3.03 121.76 111.68 1wm6 s ALA 21 Ca 0.19 1.46 -0.02 0.00 0.00 0.00 0.00 51.96 53.59 1wm6 s ALA 21 Cb -0.03 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.05 1wm6 s ALA 21 CO 0.12 -0.59 0.04 0.08 0.00 0.00 0.00 175.76 175.41 1wm6 s VAL 22 N -2.47 0.08 0.14 0.00 1.01 -0.69 -1.11 120.40 117.35 1wm6 s VAL 22 Ca 0.08 0.25 0.10 0.00 0.00 0.00 0.00 61.98 62.40 1wm6 s VAL 22 Cb -0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.99 1wm6 s VAL 22 CO -0.06 0.16 -0.19 -0.69 0.00 0.00 0.00 175.10 174.33 1wm6 s VAL 23 N 2.09 2.75 0.05 2.92 1.01 -0.48 -0.25 120.40 128.49 1wm6 s VAL 23 Ca 0.05 -1.65 -0.01 0.00 0.00 0.00 0.00 61.98 60.37 1wm6 s VAL 23 Cb -0.13 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1wm6 s VAL 23 CO -0.04 0.03 -0.03 0.00 0.00 0.00 0.00 175.10 175.06 1wm6 s ALA 24 N -1.32 0.48 0.14 5.51 0.00 -0.74 0.48 121.76 126.31 1wm6 s ALA 24 Ca 0.19 -1.17 -0.09 0.00 0.00 0.00 0.00 51.96 50.89 1wm6 s ALA 24 Cb -0.10 0.27 0.03 0.00 0.00 0.00 0.00 23.12 23.32 1wm6 s ALA 24 CO 0.10 -0.36 0.45 0.41 0.00 0.00 0.00 175.76 176.36 1wm6 n GLY 25 N 0.18 1.20 2.85 0.00 0.00 -0.25 -1.44 105.19 107.73 1wm6 n GLY 25 Ca -0.14 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 1wm6 n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wm6 s GLU 26 N -2.03 0.19 -0.22 1.61 2.12 -1.26 -1.16 118.70 117.95 1wm6 s GLU 26 Ca 0.10 0.03 -0.29 0.00 0.36 0.00 0.00 54.97 55.17 1wm6 s GLU 26 Cb -0.02 -0.30 -0.04 0.00 0.26 0.00 0.00 34.13 34.03 1wm6 s GLU 26 CO 0.04 -0.06 1.93 0.08 -0.54 0.00 0.00 175.26 176.71 1wm6 s VAL 27 N 0.55 3.30 0.38 3.70 1.01 -0.55 -4.92 120.40 123.87 1wm6 s VAL 27 Ca -0.05 0.32 0.07 0.00 0.00 0.00 0.00 61.98 62.33 1wm6 s VAL 27 Cb -0.08 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 1wm6 s VAL 27 CO -0.01 -0.19 0.46 -0.13 0.00 0.00 0.00 175.10 175.22 1wm6 s ARG 28 N 5.55 2.82 0.36 2.72 0.52 -1.26 -0.34 118.95 129.32 1wm6 s ARG 28 Ca 0.86 -1.25 0.11 0.00 -0.52 0.00 0.00 55.73 54.93 1wm6 s ARG 28 Cb -0.29 -2.64 0.88 0.00 0.52 0.00 0.00 34.95 33.41 1wm6 s ARG 28 CO 0.34 -0.11 1.84 0.00 0.02 0.00 0.00 175.30 177.40 1wm6 h ALA 29 N 0.89 1.91 -0.00 2.13 0.00 -1.99 0.22 119.26 122.43 1wm6 h ALA 29 Ca -0.43 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1wm6 h ALA 29 Cb 1.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1wm6 h ALA 29 CO 0.52 -0.19 -0.01 -0.40 0.00 0.00 0.00 179.25 179.17 1wm6 n ASP 30 N -4.59 0.09 -0.26 0.00 5.75 -1.26 -3.12 116.55 113.16 1wm6 n ASP 30 Ca 0.19 -0.73 0.11 0.00 -0.01 0.00 0.00 54.79 54.35 1wm6 n ASP 30 Cb 0.56 -0.09 -0.03 0.00 -1.03 0.00 0.00 41.12 40.53 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 -1.04 0.00 -1.86 2.11 8.25 0.77 -4.98 115.22 118.47 1wm6 n HIS 31 Ca 0.20 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.37 1wm6 n HIS 31 Cb 0.17 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.34 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 -2.71 2.69 0.00 2.41 1.43 -1.18 -1.59 118.68 119.73 1wm6 s LEU 32 Ca 0.14 0.99 0.00 0.00 -1.03 0.00 0.00 54.13 54.23 1wm6 s LEU 32 Cb 0.17 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1wm6 s LEU 32 CO 0.70 -1.65 0.00 -0.46 0.23 0.00 0.00 176.35 175.17 1wm6 n ASN 33 N -3.18 0.94 -0.16 2.29 0.23 -0.21 -4.59 115.26 110.58 1wm6 n ASN 33 Ca 0.07 -0.23 -0.09 0.00 -0.53 0.00 0.00 54.58 53.80 1wm6 n ASN 33 Cb 0.59 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.29 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 0.68 -1.01 -4.53 3.38 -1.99 -3.01 115.31 108.82 1wm6 h LEU 34 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1wm6 h LEU 34 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 1wm6 h LEU 34 CO 0.00 0.73 0.00 1.41 0.09 0.00 0.00 178.44 180.67 1wm6 n HIS 35 N -4.52 0.21 -1.13 1.13 8.25 -1.26 -4.87 115.22 113.03 1wm6 n HIS 35 Ca 0.00 -0.08 -0.05 0.00 -0.26 0.00 0.00 57.72 57.34 1wm6 n HIS 35 Cb 0.21 -0.10 -0.02 0.00 1.12 0.00 0.00 29.99 31.20 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 0.25 0.69 3.63 -1.41 0.00 -1.14 -5.02 105.19 102.18 1wm6 n GLY 36 Ca 0.03 -0.33 -0.24 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.97 2.85 -0.06 2.61 -4.23 -1.26 -4.45 115.64 109.13 1wm6 s THR 37 Ca 0.00 -1.98 -0.36 0.00 -1.18 0.00 0.00 61.69 58.18 1wm6 s THR 37 Cb 0.00 -2.77 -0.13 0.00 1.34 0.00 0.00 72.50 70.93 1wm6 s THR 37 CO 0.00 -0.26 1.74 0.00 -0.54 0.00 0.00 174.62 175.56 1wm6 n ALA 38 N -0.93 0.56 -1.78 3.99 0.00 1.00 -1.05 120.51 122.31 1wm6 n ALA 38 Ca -0.05 0.36 -0.41 0.00 0.00 0.00 0.00 53.44 53.34 1wm6 n ALA 38 Cb 0.61 -2.37 -0.01 0.00 0.00 0.00 0.00 19.45 17.69 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 2.99 2.73 0.31 0.00 2.46 -0.62 -4.76 115.29 118.39 1wm6 s HIS 39 Ca 0.90 1.22 0.04 0.00 0.47 0.00 0.00 55.06 57.69 1wm6 s HIS 39 Cb -0.80 -3.92 0.64 0.00 -0.13 0.00 0.00 32.58 28.37 1wm6 s HIS 39 CO 0.52 -2.69 1.86 0.78 -2.47 0.00 0.00 174.74 172.73 1wm6 h GLY 40 N 3.22 1.45 1.86 1.59 0.00 -1.90 -0.50 103.07 108.79 1wm6 h GLY 40 Ca -0.50 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.41 1wm6 h GLY 40 CO 0.65 0.16 -0.11 -1.33 0.00 0.00 0.00 176.54 175.91 1wm6 h GLY 41 N 0.90 0.18 0.44 4.60 0.00 -1.95 -1.62 103.07 105.63 1wm6 h GLY 41 Ca 0.46 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.69 1wm6 h GLY 41 CO -0.23 0.10 -0.02 -2.75 0.00 0.00 0.00 176.54 173.64 1wm6 h PHE 42 N 0.17 -0.06 -0.89 5.60 3.57 -1.42 0.31 116.94 124.21 1wm6 h PHE 42 Ca 0.04 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.58 1wm6 h PHE 42 Cb 0.31 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.01 1wm6 h PHE 42 CO 0.00 0.45 0.58 -0.07 -2.23 0.00 0.00 178.31 177.05 1wm6 h LEU 43 N -0.63 0.94 -0.29 0.59 3.38 -1.36 -1.06 115.31 116.88 1wm6 h LEU 43 Ca -0.01 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1wm6 h LEU 43 Cb 0.55 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1wm6 h LEU 43 CO 0.01 0.63 -0.13 0.22 0.09 0.00 0.00 178.44 179.26 1wm6 h TYR 44 N 1.08 0.69 -0.80 1.13 5.03 -1.27 -1.74 116.97 121.10 1wm6 h TYR 44 Ca 0.37 -0.17 0.07 0.00 2.58 0.00 0.00 58.73 61.58 1wm6 h TYR 44 Cb 0.09 -0.16 -0.05 0.00 1.55 0.00 0.00 36.73 38.16 1wm6 h TYR 44 CO -0.00 0.83 0.52 0.00 -1.32 0.00 0.00 178.16 178.19 1wm6 h ALA 45 N 0.75 1.65 0.40 1.82 0.00 -0.27 0.50 119.26 124.12 1wm6 h ALA 45 Ca 0.07 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1wm6 h ALA 45 Cb 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1wm6 h ALA 45 CO 0.04 0.21 -0.19 1.25 0.00 0.00 0.00 179.25 180.56 1wm6 h LEU 46 N 0.84 -0.45 -0.73 0.00 5.85 -0.97 -1.76 115.31 118.07 1wm6 h LEU 46 Ca 0.35 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.98 1wm6 h LEU 46 Cb 0.28 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.39 1wm6 h LEU 46 CO -0.13 -0.14 0.48 0.00 -0.34 0.00 0.00 178.44 178.31 1wm6 h ALA 47 N -0.32 0.94 -0.38 1.25 0.00 -0.65 -2.06 119.26 118.04 1wm6 h ALA 47 Ca -0.05 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1wm6 h ALA 47 Cb 0.53 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1wm6 h ALA 47 CO 0.09 0.30 0.14 0.22 0.00 0.00 0.00 179.25 180.01 1wm6 h ASP 48 N 0.95 0.49 -0.08 0.00 3.58 -0.02 -1.29 116.42 120.06 1wm6 h ASP 48 Ca 0.28 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 1wm6 h ASP 48 Cb -0.05 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 40.87 1wm6 h ASP 48 CO -0.08 0.46 0.02 0.28 -2.88 0.00 0.00 179.24 177.04 1wm6 h SER 49 N 0.54 0.11 -0.86 2.28 0.02 -0.60 0.16 113.55 115.20 1wm6 h SER 49 Ca 0.13 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 1wm6 h SER 49 Cb 0.13 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.60 1wm6 h SER 49 CO -0.01 0.28 0.53 0.00 -1.14 0.00 0.00 176.83 176.49 1wm6 h ALA 50 N 0.84 1.09 0.26 3.77 0.00 -1.21 -1.42 119.26 122.59 1wm6 h ALA 50 Ca 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1wm6 h ALA 50 Cb 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1wm6 h ALA 50 CO -0.00 0.54 -0.18 0.35 0.00 0.00 0.00 179.25 179.96 1wm6 h PHE 51 N 1.17 -0.46 -0.53 0.00 3.57 -0.95 -0.69 116.94 119.05 1wm6 h PHE 51 Ca 0.31 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.83 1wm6 h PHE 51 Cb -0.07 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 1wm6 h PHE 51 CO -0.00 -0.27 0.32 0.00 -2.23 0.00 0.00 178.31 176.12 1wm6 h ALA 52 N 0.28 0.68 0.01 2.41 0.00 -0.42 -1.19 119.26 121.04 1wm6 h ALA 52 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wm6 h ALA 52 Cb 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1wm6 h ALA 52 CO 0.01 0.03 -0.00 -0.07 0.00 0.00 0.00 179.25 179.22 1wm6 h LEU 53 N 0.63 -0.01 -1.13 0.00 3.38 -1.14 -1.84 115.31 115.22 1wm6 h LEU 53 Ca 0.21 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1wm6 h LEU 53 Cb 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1wm6 h LEU 53 CO -0.10 0.17 0.49 0.00 0.09 0.00 0.00 178.44 179.09 1wm6 h ALA 54 N 0.81 1.35 -0.19 1.53 0.00 -0.98 -2.84 119.26 118.93 1wm6 h ALA 54 Ca -0.00 -0.09 -0.18 0.00 0.00 0.00 0.00 54.91 54.65 1wm6 h ALA 54 Cb 0.18 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1wm6 h ALA 54 CO 0.00 0.57 -0.60 0.66 0.00 0.00 0.00 179.25 179.87 1wm6 h SER 55 N 1.11 0.72 0.77 0.00 4.64 -1.12 -3.11 113.55 116.55 1wm6 h SER 55 Ca 0.29 -0.41 -0.00 0.00 -0.47 0.00 0.00 61.79 61.20 1wm6 h SER 55 Cb -0.06 -0.21 -0.00 0.00 -0.31 0.00 0.00 62.40 61.82 1wm6 h SER 55 CO -0.06 1.15 -0.00 0.78 -0.87 0.00 0.00 176.83 177.84 1wm6 h ASN 56 N 0.47 0.00 0.22 4.97 2.35 -1.10 -2.32 115.58 120.17 1wm6 h ASN 56 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1wm6 h ASN 56 Cb 1.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.55 1wm6 h ASN 56 CO 0.12 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 176.25 1wm6 n THR 57 N -3.09 1.11 0.79 2.81 -2.24 -1.12 -0.34 114.28 112.20 1wm6 n THR 57 Ca -0.00 0.28 0.08 0.00 -2.27 0.00 0.00 64.05 62.14 1wm6 n THR 57 Cb 0.25 -1.14 -0.04 0.00 -2.10 0.00 0.00 70.33 67.30 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 -1.39 1.53 0.00 -0.78 5.12 -0.87 -4.73 116.66 115.54 1wm6 n ARG 58 Ca 0.03 -0.51 0.00 0.00 -1.93 0.00 0.00 57.85 55.45 1wm6 n ARG 58 Cb 0.08 -1.31 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 1.29 3.46 3.66 -0.13 0.00 0.54 -5.06 105.19 108.96 1wm6 n GLY 59 Ca 0.06 -1.82 -0.45 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.50 1.93 -3.63 1.61 -0.04 -1.26 -4.25 135.00 127.86 1wm6 n PRO 60 Ca 0.00 0.69 -0.15 0.00 -0.04 0.00 0.00 63.50 63.99 1wm6 n PRO 60 Cb 0.00 -2.31 -0.07 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 -0.17 -1.40 0.08 0.55 0.00 -1.26 -1.96 121.76 117.59 1wm6 s ALA 61 Ca 0.67 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.85 1wm6 s ALA 61 Cb -0.67 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1wm6 s ALA 61 CO 0.51 -0.31 -0.11 0.54 0.00 0.00 0.00 175.76 176.39 1wm6 s VAL 62 N -0.76 3.29 0.20 0.00 0.11 -0.56 -4.90 120.40 117.77 1wm6 s VAL 62 Ca -0.08 -1.18 -0.30 0.00 -2.93 0.00 0.00 61.98 57.49 1wm6 s VAL 62 Cb -0.03 -2.50 -0.08 0.00 -1.53 0.00 0.00 36.38 32.25 1wm6 s VAL 62 CO 0.06 0.20 1.17 0.00 -3.33 0.00 0.00 175.10 173.20 1wm6 s ALA 63 N -1.13 3.42 -0.04 1.54 0.00 -1.26 -0.16 121.76 124.13 1wm6 s ALA 63 Ca 0.19 0.93 -0.06 0.00 0.00 0.00 0.00 51.96 53.03 1wm6 s ALA 63 Cb -0.11 -3.40 -0.02 0.00 0.00 0.00 0.00 23.12 19.59 1wm6 s ALA 63 CO 0.11 -0.33 -0.11 1.28 0.00 0.00 0.00 175.76 176.71 1wm6 n LEU 64 N 2.30 0.74 -3.98 0.00 4.77 -0.18 -4.87 117.00 115.78 1wm6 n LEU 64 Ca 0.03 0.12 -0.20 0.00 -0.03 0.00 0.00 56.01 55.94 1wm6 n LEU 64 Cb 0.45 -0.48 -0.15 0.00 -2.33 0.00 0.00 43.42 40.91 1wm6 n LEU 64 CO 0.55 -0.46 -0.43 -0.55 -1.33 0.00 0.00 177.39 175.17 1wm6 s SER 65 N -5.00 1.10 -0.01 -1.43 0.15 -1.16 -5.02 113.70 102.34 1wm6 s SER 65 Ca -0.09 -0.17 0.03 0.00 0.70 0.00 0.00 55.95 56.42 1wm6 s SER 65 Cb 0.01 -0.30 -0.00 0.00 -1.71 0.00 0.00 66.02 64.02 1wm6 s SER 65 CO 0.13 0.05 -0.08 0.00 1.20 0.00 0.00 173.24 174.54 1wm6 s ARG 67 N -0.12 2.62 -0.16 0.00 3.52 0.13 -4.97 118.95 119.98 1wm6 s ARG 67 Ca 0.02 -0.85 0.00 0.00 -0.13 0.00 0.00 55.73 54.77 1wm6 s ARG 67 Cb -0.04 -2.24 0.03 0.00 -1.56 0.00 0.00 34.95 31.14 1wm6 s ARG 67 CO -0.00 0.40 -0.11 1.41 -0.81 0.00 0.00 175.30 176.19 1wm6 s MET 68 N -0.20 2.01 -0.27 5.12 -2.45 -1.26 -0.87 119.30 121.38 1wm6 s MET 68 Ca -0.02 -0.60 -0.06 0.00 -1.25 0.00 0.00 55.69 53.76 1wm6 s MET 68 Cb -0.13 -2.12 -0.00 0.00 1.25 0.00 0.00 34.83 33.83 1wm6 s MET 68 CO 0.03 -0.32 0.05 -0.51 1.05 0.00 0.00 175.02 175.32 1wm6 s ASP 69 N 1.51 4.92 -0.16 1.11 1.01 0.59 -4.98 116.67 120.67 1wm6 s ASP 69 Ca 0.03 -0.54 -0.19 0.00 0.71 0.00 0.00 52.55 52.56 1wm6 s ASP 69 Cb -0.14 -1.85 -0.04 0.00 1.01 0.00 0.00 42.92 41.90 1wm6 s ASP 69 CO -0.09 -0.12 0.53 -0.31 0.21 0.00 0.00 175.17 175.39 1wm6 s TYR 70 N 1.51 3.44 -0.10 4.23 2.02 -1.26 -0.91 117.35 126.28 1wm6 s TYR 70 Ca 0.04 0.87 -0.06 0.00 -0.37 0.00 0.00 57.07 57.55 1wm6 s TYR 70 Cb -0.16 -2.65 -0.04 0.00 -0.40 0.00 0.00 41.96 38.70 1wm6 s TYR 70 CO 0.01 0.00 -0.14 1.19 -1.57 0.00 0.00 175.55 175.05 1wm6 n PHE 71 N 4.34 0.00 -4.81 2.71 3.72 0.15 -5.00 117.46 118.57 1wm6 n PHE 71 Ca -0.05 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.09 1wm6 n PHE 71 Cb 0.51 -0.36 -0.16 0.00 -0.94 0.00 0.00 39.48 38.53 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 -2.21 1.85 0.54 -1.08 0.52 -0.59 -5.04 118.95 112.93 1wm6 s ARG 72 Ca -0.14 -0.59 -0.17 0.00 -0.52 0.00 0.00 55.73 54.30 1wm6 s ARG 72 Cb 0.05 -1.57 -0.06 0.00 0.52 0.00 0.00 34.95 33.89 1wm6 s ARG 72 CO 0.18 0.20 1.03 -1.25 0.02 0.00 0.00 175.30 175.48 1wm6 s PRO 73 N 0.18 3.66 0.12 3.54 0.04 -1.26 -4.81 135.00 136.47 1wm6 s PRO 73 Ca -0.07 1.17 0.10 0.00 0.04 0.00 0.00 61.00 62.24 1wm6 s PRO 73 Cb -0.13 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.29 1wm6 s PRO 73 CO 0.03 -0.53 -0.24 -0.51 0.04 0.00 0.00 177.00 175.79 1wm6 s LEU 74 N -4.05 2.32 0.41 -3.56 1.43 -1.26 -5.00 118.68 108.97 1wm6 s LEU 74 Ca 0.63 -0.73 0.08 0.00 -1.03 0.00 0.00 54.13 53.08 1wm6 s LEU 74 Cb -0.14 -1.08 -0.02 0.00 0.03 0.00 0.00 46.19 44.98 1wm6 s LEU 74 CO 0.30 0.13 0.35 -0.83 0.23 0.00 0.00 176.35 176.52 1wm6 s GLY 75 N -2.02 2.16 0.20 -3.19 0.00 -1.26 -0.00 107.32 103.21 1wm6 s GLY 75 Ca 0.11 -1.91 -0.33 0.00 0.00 0.00 0.00 44.72 42.60 1wm6 s GLY 75 CO 0.05 -1.72 1.60 0.00 0.00 0.00 0.00 173.10 173.03 1wm6 n ALA 76 N -1.51 1.87 0.00 3.20 0.00 -1.26 -1.97 120.51 120.84 1wm6 n ALA 76 Ca 0.03 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1wm6 n ALA 76 Cb 0.62 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.67 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 3.25 2.87 3.70 0.00 0.00 0.54 -5.00 105.19 110.54 1wm6 n GLY 77 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1wm6 n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wm6 n ALA 78 N -0.48 1.31 -2.59 4.61 0.00 -0.83 -4.62 120.51 117.91 1wm6 n ALA 78 Ca 0.00 0.36 -0.38 0.00 0.00 0.00 0.00 53.44 53.42 1wm6 n ALA 78 Cb 0.00 -2.26 -0.11 0.00 0.00 0.00 0.00 19.45 17.08 1wm6 n ALA 78 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1wm6 s ARG 79 N -1.87 3.84 0.11 0.00 0.52 -1.26 -1.49 118.95 118.80 1wm6 s ARG 79 Ca 0.55 -0.40 0.05 0.00 -0.52 0.00 0.00 55.73 55.41 1wm6 s ARG 79 Cb -0.57 -3.69 -0.04 0.00 0.52 0.00 0.00 34.95 31.18 1wm6 s ARG 79 CO 0.62 -0.24 0.02 0.08 0.02 0.00 0.00 175.30 175.80 1wm6 s VAL 80 N 1.75 4.07 -0.00 3.52 1.01 -0.31 -4.38 120.40 126.06 1wm6 s VAL 80 Ca 0.07 -1.06 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1wm6 s VAL 80 Cb -0.16 -2.98 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 1wm6 s VAL 80 CO 0.11 0.05 -0.03 -0.70 0.00 0.00 0.00 175.10 174.53 1wm6 s GLU 81 N -2.52 0.30 -0.22 2.72 2.12 0.87 -1.09 118.70 120.88 1wm6 s GLU 81 Ca 0.27 -0.11 -0.01 0.00 0.36 0.00 0.00 54.97 55.48 1wm6 s GLU 81 Cb -0.11 -0.30 0.02 0.00 0.26 0.00 0.00 34.13 34.00 1wm6 s GLU 81 CO 0.19 0.06 -0.11 0.00 -0.54 0.00 0.00 175.26 174.87 1wm6 s ALA 82 N -0.00 2.59 -0.38 6.30 0.00 0.18 -0.30 121.76 130.15 1wm6 s ALA 82 Ca 0.00 -1.33 -0.05 0.00 0.00 0.00 0.00 51.96 50.58 1wm6 s ALA 82 Cb -0.02 -1.51 0.08 0.00 0.00 0.00 0.00 23.12 21.67 1wm6 s ALA 82 CO -0.00 -0.58 0.17 1.03 0.00 0.00 0.00 175.76 176.37 1wm6 s ARG 83 N 1.33 2.39 -0.15 0.00 0.52 -0.38 -1.38 118.95 121.29 1wm6 s ARG 83 Ca 0.03 -1.48 -0.14 0.00 -0.52 0.00 0.00 55.73 53.61 1wm6 s ARG 83 Cb -0.15 -3.55 -0.05 0.00 0.52 0.00 0.00 34.95 31.72 1wm6 s ARG 83 CO -0.07 -0.88 0.30 0.00 0.02 0.00 0.00 175.30 174.67 1wm6 s ALA 84 N 1.30 3.60 0.04 2.13 0.00 -0.27 -1.59 121.76 126.96 1wm6 s ALA 84 Ca 0.02 -0.45 0.05 0.00 0.00 0.00 0.00 51.96 51.59 1wm6 s ALA 84 Cb -0.22 -2.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.49 1wm6 s ALA 84 CO -0.00 0.11 -0.15 0.14 0.00 0.00 0.00 175.76 175.86 1wm6 s VAL 85 N 0.41 1.17 -0.15 0.00 -7.23 0.37 -2.30 120.40 112.66 1wm6 s VAL 85 Ca 0.17 -0.99 -0.29 0.00 -1.81 0.00 0.00 61.98 59.05 1wm6 s VAL 85 Cb -0.13 -1.05 -0.01 0.00 0.56 0.00 0.00 36.38 35.75 1wm6 s VAL 85 CO 0.04 0.05 1.11 -0.70 -0.31 0.00 0.00 175.10 175.29 1wm6 s GLU 86 N -1.09 4.31 -0.16 4.82 2.12 -0.84 -1.03 118.70 126.83 1wm6 s GLU 86 Ca 0.02 1.49 0.05 0.00 0.36 0.00 0.00 54.97 56.90 1wm6 s GLU 86 Cb -0.08 -3.63 -0.23 0.00 0.26 0.00 0.00 34.13 30.46 1wm6 s GLU 86 CO 0.01 -0.54 0.19 0.28 -0.54 0.00 0.00 175.26 174.67 1wm6 n VAL 87 N 5.02 1.58 -3.69 3.70 0.31 -0.03 -4.94 118.33 120.27 1wm6 n VAL 87 Ca 0.11 -0.71 -0.11 0.00 -0.01 0.00 0.00 64.34 63.62 1wm6 n VAL 87 Cb 0.46 -1.21 -0.10 0.00 -0.91 0.00 0.00 33.84 32.09 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 -6.34 -0.58 -0.28 4.52 2.47 -0.94 -4.98 114.94 108.81 1wm6 s ASN 88 Ca -0.19 1.02 0.01 0.00 0.42 0.00 0.00 52.86 54.12 1wm6 s ASN 88 Cb 0.07 0.96 0.08 0.00 -1.45 0.00 0.00 41.25 40.92 1wm6 s ASN 88 CO 0.75 -0.19 0.01 -0.22 -3.72 0.00 0.00 177.10 173.72 1wm6 s LEU 89 N 0.93 3.10 0.47 3.21 2.96 -1.26 -0.73 118.68 127.35 1wm6 s LEU 89 Ca -0.05 -1.55 0.08 0.00 -0.22 0.00 0.00 54.13 52.39 1wm6 s LEU 89 Cb -0.06 -1.23 0.02 0.00 0.50 0.00 0.00 46.19 45.42 1wm6 s LEU 89 CO -0.08 -0.31 0.51 -0.44 -1.32 0.00 0.00 176.35 174.71 1wm6 s SER 90 N 1.31 5.12 0.17 3.68 0.01 0.10 -5.02 113.70 119.08 1wm6 s SER 90 Ca 0.02 -0.78 -0.15 0.00 1.31 0.00 0.00 55.95 56.36 1wm6 s SER 90 Cb -0.19 -0.25 0.08 0.00 0.21 0.00 0.00 66.02 65.87 1wm6 s SER 90 CO -0.11 -0.89 1.79 -0.09 0.41 0.00 0.00 173.24 174.35 1wm6 h ARG 91 N 0.73 0.47 0.00 12.44 2.43 -2.01 -3.30 114.38 125.13 1wm6 h ARG 91 Ca -0.38 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1wm6 h ARG 91 Cb 1.28 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.72 1wm6 h ARG 91 CO 0.51 0.31 -1.29 0.54 -1.51 0.00 0.00 179.97 178.53 1wm6 n ARG 92 N -4.88 1.16 -4.25 0.20 5.12 -1.26 -4.84 116.66 107.91 1wm6 n ARG 92 Ca 0.03 -0.08 -0.14 0.00 -1.93 0.00 0.00 57.85 55.72 1wm6 n ARG 92 Cb 0.09 -1.26 -0.10 0.00 -1.16 0.00 0.00 32.46 30.03 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 -2.72 0.94 -0.10 0.55 -4.23 -1.24 0.92 115.64 109.76 1wm6 s THR 93 Ca -0.02 -2.02 -0.13 0.00 -1.18 0.00 0.00 61.69 58.35 1wm6 s THR 93 Cb 0.09 -1.99 0.03 0.00 1.34 0.00 0.00 72.50 71.97 1wm6 s THR 93 CO 0.57 -0.61 0.33 0.00 -0.54 0.00 0.00 174.62 174.36 1wm6 s ALA 94 N -3.48 -0.82 -0.05 3.99 0.00 -0.87 0.03 121.76 120.56 1wm6 s ALA 94 Ca 0.20 0.79 0.05 0.00 0.00 0.00 0.00 51.96 53.00 1wm6 s ALA 94 Cb 0.04 -0.39 -0.00 0.00 0.00 0.00 0.00 23.12 22.77 1wm6 s ALA 94 CO 0.02 -0.19 -0.19 0.99 0.00 0.00 0.00 175.76 176.39 1wm6 s THR 95 N -0.21 1.60 0.10 0.00 2.01 0.09 -0.06 115.64 119.17 1wm6 s THR 95 Ca -0.04 -0.80 0.07 0.00 0.31 0.00 0.00 61.69 61.23 1wm6 s THR 95 Cb -0.03 -1.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.07 1wm6 s THR 95 CO 0.01 0.46 -0.18 -0.31 -0.69 0.00 0.00 174.62 173.91 1wm6 s TYR 96 N 0.04 1.60 -0.13 4.92 1.51 0.91 -0.85 117.35 125.35 1wm6 s TYR 96 Ca -0.05 -0.45 -0.01 0.00 -1.01 0.00 0.00 57.07 55.55 1wm6 s TYR 96 Cb -0.13 -0.87 -0.02 0.00 -0.11 0.00 0.00 41.96 40.84 1wm6 s TYR 96 CO 0.03 0.17 -0.11 0.50 -1.11 0.00 0.00 175.55 175.04 1wm6 s ARG 97 N -2.03 3.43 -0.19 -0.62 3.52 -0.20 -1.27 118.95 121.59 1wm6 s ARG 97 Ca 0.05 -0.64 0.01 0.00 -0.13 0.00 0.00 55.73 55.02 1wm6 s ARG 97 Cb -0.09 -2.70 0.04 0.00 -1.56 0.00 0.00 34.95 30.64 1wm6 s ARG 97 CO 0.04 0.24 -0.12 0.08 -0.81 0.00 0.00 175.30 174.73 1wm6 s VAL 98 N 0.31 1.68 -0.18 7.11 1.01 0.21 -0.48 120.40 130.07 1wm6 s VAL 98 Ca -0.08 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 60.78 1wm6 s VAL 98 Cb -0.15 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.48 1wm6 s VAL 98 CO 0.05 0.25 0.41 -1.61 0.00 0.00 0.00 175.10 174.19 1wm6 s GLU 99 N 1.39 4.22 -0.52 2.72 2.02 -0.62 -1.01 118.70 126.90 1wm6 s GLU 99 Ca 0.00 0.25 -0.17 0.00 0.02 0.00 0.00 54.97 55.07 1wm6 s GLU 99 Cb -0.15 -3.50 0.08 0.00 0.10 0.00 0.00 34.13 30.66 1wm6 s GLU 99 CO -0.09 0.03 0.54 0.08 0.02 0.00 0.00 175.26 175.84 1wm6 s VAL 100 N 1.07 5.04 0.01 2.63 1.01 -0.26 -1.25 120.40 128.65 1wm6 s VAL 100 Ca 0.20 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1wm6 s VAL 100 Cb -0.15 -4.28 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 1wm6 s VAL 100 CO 0.08 -0.80 0.02 -0.69 0.00 0.00 0.00 175.10 173.71 1wm6 s VAL 101 N 2.13 4.24 -0.32 2.92 1.01 0.60 0.04 120.40 131.02 1wm6 s VAL 101 Ca 0.09 -0.60 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1wm6 s VAL 101 Cb -0.24 -2.91 0.14 0.00 0.00 0.00 0.00 36.38 33.37 1wm6 s VAL 101 CO 0.08 0.35 0.32 -0.55 0.00 0.00 0.00 175.10 175.30 1wm6 s SER 102 N -1.65 1.59 -0.67 3.32 0.15 -0.88 -0.09 113.70 115.47 1wm6 s SER 102 Ca 0.21 -1.15 -0.01 0.00 0.70 0.00 0.00 55.95 55.69 1wm6 s SER 102 Cb -0.12 0.46 -0.01 0.00 -1.71 0.00 0.00 66.02 64.65 1wm6 s SER 102 CO 0.11 -0.34 0.57 -0.62 1.20 0.00 0.00 173.24 174.16 1wm6 n GLU 103 N 4.84 -3.16 -0.82 5.44 1.02 -1.26 -3.16 120.64 123.54 1wm6 n GLU 103 Ca 0.04 0.50 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 1wm6 n GLU 103 Cb 0.45 -4.34 0.00 0.00 -0.02 0.00 0.00 31.44 27.54 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 -1.15 0.22 3.69 0.62 0.00 -1.26 -4.97 105.19 102.35 1wm6 n GLY 104 Ca -0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.05 3.62 -0.63 1.61 -0.14 -1.19 -5.05 119.74 116.91 1wm6 s LYS 105 Ca 0.00 -0.32 -0.26 0.00 -1.36 0.00 0.00 55.97 54.03 1wm6 s LYS 105 Cb 0.00 -3.10 0.04 0.00 -1.68 0.00 0.00 37.83 33.09 1wm6 s LYS 105 CO 0.00 0.48 1.15 -1.17 -0.76 0.00 0.00 175.35 175.05 1wm6 s LEU 106 N -0.23 3.59 0.03 3.17 2.96 -1.26 -2.08 118.68 124.87 1wm6 s LEU 106 Ca 0.08 -0.27 -0.17 0.00 -0.22 0.00 0.00 54.13 53.55 1wm6 s LEU 106 Cb -0.12 -2.83 -0.26 0.00 0.50 0.00 0.00 46.19 43.48 1wm6 s LEU 106 CO 0.01 -1.54 1.10 0.58 -1.32 0.00 0.00 176.35 175.19 1wm6 h VAL 107 N 6.07 1.35 -2.75 1.68 2.07 -0.70 -3.39 116.25 120.58 1wm6 h VAL 107 Ca -0.27 -2.29 -0.01 0.00 0.82 0.00 0.00 66.70 64.96 1wm6 h VAL 107 Cb 1.06 2.63 -0.14 0.00 -1.52 0.00 0.00 31.29 33.32 1wm6 h VAL 107 CO 1.20 0.69 0.24 0.00 0.02 0.00 0.00 177.57 179.71 1wm6 s ALA 108 N -3.09 -1.65 -0.12 1.67 0.00 -1.13 -0.67 121.76 116.76 1wm6 s ALA 108 Ca -0.11 0.69 0.03 0.00 0.00 0.00 0.00 51.96 52.56 1wm6 s ALA 108 Cb 0.05 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1wm6 s ALA 108 CO 0.89 -0.69 -0.21 -1.17 0.00 0.00 0.00 175.76 174.57 1wm6 s LEU 109 N -2.46 2.21 -0.06 0.00 2.96 -0.09 -1.11 118.68 120.14 1wm6 s LEU 109 Ca -0.00 -0.54 0.05 0.00 -0.22 0.00 0.00 54.13 53.42 1wm6 s LEU 109 Cb -0.01 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 1wm6 s LEU 109 CO -0.09 0.13 -0.21 0.12 -1.32 0.00 0.00 176.35 174.97 1wm6 s PHE 110 N 0.55 2.53 -0.09 5.38 2.19 -0.18 -0.30 117.98 128.06 1wm6 s PHE 110 Ca -0.13 -0.56 0.01 0.00 0.33 0.00 0.00 56.93 56.58 1wm6 s PHE 110 Cb -0.17 -1.63 0.02 0.00 -1.31 0.00 0.00 43.02 39.94 1wm6 s PHE 110 CO 0.04 -0.11 -0.10 0.99 1.83 0.00 0.00 175.22 177.87 1wm6 s THR 111 N -0.27 1.12 0.01 0.12 2.01 -0.05 -0.61 115.64 117.96 1wm6 s THR 111 Ca 0.00 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.60 1wm6 s THR 111 Cb -0.13 -1.07 -0.01 0.00 0.01 0.00 0.00 72.50 71.30 1wm6 s THR 111 CO 0.03 0.37 -0.03 -0.83 -0.69 0.00 0.00 174.62 173.46 1wm6 s GLY 112 N 1.17 0.20 -0.04 4.40 0.00 -0.40 0.22 107.32 112.88 1wm6 s GLY 112 Ca -0.05 -0.32 0.06 0.00 0.00 0.00 0.00 44.72 44.41 1wm6 s GLY 112 CO -0.02 -0.34 -0.22 -1.59 0.00 0.00 0.00 173.10 170.93 1wm6 s THR 113 N -0.61 1.75 0.31 0.90 2.01 -0.27 -0.06 115.64 119.67 1wm6 s THR 113 Ca -0.05 -0.92 0.10 0.00 0.31 0.00 0.00 61.69 61.13 1wm6 s THR 113 Cb -0.05 -1.47 -0.06 0.00 0.01 0.00 0.00 72.50 70.93 1wm6 s THR 113 CO -0.00 0.49 -0.13 0.68 -0.69 0.00 0.00 174.62 174.97 1wm6 s VAL 114 N -0.28 2.25 -0.22 3.82 -7.23 0.92 -1.01 120.40 118.66 1wm6 s VAL 114 Ca 0.02 -2.26 -0.07 0.00 -1.81 0.00 0.00 61.98 57.86 1wm6 s VAL 114 Cb -0.11 -2.50 -0.03 0.00 0.56 0.00 0.00 36.38 34.30 1wm6 s VAL 114 CO 0.01 -0.28 0.05 0.12 -0.31 0.00 0.00 175.10 174.68 1wm6 s PHE 115 N -2.62 3.10 -0.33 2.82 2.19 0.77 -2.05 117.98 121.86 1wm6 s PHE 115 Ca 0.31 -0.32 -0.26 0.00 0.33 0.00 0.00 56.93 57.00 1wm6 s PHE 115 Cb 0.00 -2.15 0.01 0.00 -1.31 0.00 0.00 43.02 39.57 1wm6 s PHE 115 CO 0.15 -0.20 0.91 1.03 1.83 0.00 0.00 175.22 178.94 1wm6 s ARG 116 N 1.14 3.95 0.00 10.12 0.52 0.26 -1.50 118.95 133.44 1wm6 s ARG 116 Ca 0.04 0.72 0.19 0.00 -0.52 0.00 0.00 55.73 56.15 1wm6 s ARG 116 Cb -0.14 -3.75 1.11 0.00 0.52 0.00 0.00 34.95 32.68 1wm6 s ARG 116 CO 0.03 -0.82 1.50 1.28 0.02 0.00 0.00 175.30 177.31