#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wm6 s ASP 3 N 0.00 6.58 0.13 6.15 -1.08 -1.26 -4.98 116.67 122.21 1wm6 s ASP 3 Ca 0.00 0.38 -0.32 0.00 -0.52 0.00 0.00 52.55 52.09 1wm6 s ASP 3 Cb 0.00 -2.42 -0.10 0.00 -1.46 0.00 0.00 42.92 38.93 1wm6 s ASP 3 CO 0.00 -0.82 1.53 -0.65 0.52 0.00 0.00 175.17 175.75 1wm6 h PRO 4 N 8.57 -0.34 -0.89 4.34 0.11 -2.04 0.05 132.00 141.80 1wm6 h PRO 4 Ca -0.24 0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.88 1wm6 h PRO 4 Cb 1.09 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 1wm6 h PRO 4 CO 0.95 -0.23 0.50 0.35 -0.21 0.00 0.00 178.00 179.36 1wm6 h PHE 5 N -0.35 1.22 -0.65 0.65 3.57 -1.99 0.52 116.94 119.91 1wm6 h PHE 5 Ca 0.08 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 1wm6 h PHE 5 Cb 0.56 -0.39 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1wm6 h PHE 5 CO -0.75 0.83 0.25 0.52 -2.23 0.00 0.00 178.31 176.93 1wm6 h MET 6 N 1.24 0.98 -0.33 1.11 2.86 -1.82 -2.14 114.93 116.83 1wm6 h MET 6 Ca 0.32 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.70 1wm6 h MET 6 Cb 0.01 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.51 1wm6 h MET 6 CO -0.05 0.82 -0.10 1.49 1.06 0.00 0.00 176.91 180.13 1wm6 h GLU 7 N 0.92 0.65 -0.51 1.72 4.81 -0.54 -0.21 114.58 121.42 1wm6 h GLU 7 Ca 0.22 -0.26 0.08 0.00 -0.13 0.00 0.00 59.36 59.27 1wm6 h GLU 7 Cb 0.22 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 1wm6 h GLU 7 CO -0.02 0.83 0.34 0.00 -0.73 0.00 0.00 179.01 179.44 1wm6 h ALA 8 N 0.80 2.03 -0.01 2.92 0.00 -0.70 0.15 119.26 124.45 1wm6 h ALA 8 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1wm6 h ALA 8 Cb 0.60 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1wm6 h ALA 8 CO 0.04 -0.14 -0.09 1.28 0.00 0.00 0.00 179.25 180.34 1wm6 n LEU 9 N -4.47 1.58 -0.84 0.00 4.77 -0.82 -4.95 117.00 112.28 1wm6 n LEU 9 Ca 0.08 -0.51 -0.08 0.00 -0.03 0.00 0.00 56.01 55.46 1wm6 n LEU 9 Cb 0.33 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.38 1wm6 n LEU 9 CO 0.34 0.27 -0.10 0.61 -1.33 0.00 0.00 177.39 177.19 1wm6 n GLY 10 N 1.25 0.30 3.83 -0.72 0.00 0.04 -4.84 105.19 105.06 1wm6 n GLY 10 Ca 0.16 -0.58 -0.34 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.19 4.18 -0.03 0.99 1.43 -0.15 -4.58 118.68 118.33 1wm6 s LEU 11 Ca 0.00 1.35 0.02 0.00 -1.03 0.00 0.00 54.13 54.47 1wm6 s LEU 11 Cb 0.00 -3.88 0.01 0.00 0.03 0.00 0.00 46.19 42.35 1wm6 s LEU 11 CO 0.00 -0.11 -0.08 -0.54 0.23 0.00 0.00 176.35 175.85 1wm6 s LYS 12 N -2.55 0.96 -0.22 1.70 1.02 0.99 -4.59 119.74 117.04 1wm6 s LYS 12 Ca 0.50 -0.26 -0.29 0.00 0.02 0.00 0.00 55.97 55.94 1wm6 s LYS 12 Cb -0.13 -0.90 0.00 0.00 -0.52 0.00 0.00 37.83 36.29 1wm6 s LYS 12 CO 0.19 0.06 1.14 0.08 -0.92 0.00 0.00 175.35 175.89 1wm6 s VAL 13 N 0.38 4.49 -0.90 3.17 1.01 -1.26 -0.65 120.40 126.64 1wm6 s VAL 13 Ca -0.06 1.79 0.18 0.00 0.00 0.00 0.00 61.98 63.89 1wm6 s VAL 13 Cb -0.10 -4.21 -0.19 0.00 0.00 0.00 0.00 36.38 31.87 1wm6 s VAL 13 CO 0.01 -0.22 0.79 0.18 0.00 0.00 0.00 175.10 175.86 1wm6 n LEU 14 N 6.57 0.90 -3.64 3.92 4.77 0.73 -4.97 117.00 125.28 1wm6 n LEU 14 Ca 0.13 -0.51 -0.07 0.00 -0.03 0.00 0.00 56.01 55.53 1wm6 n LEU 14 Cb 0.46 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.48 1wm6 n LEU 14 CO 0.55 0.22 0.82 -2.28 -1.33 0.00 0.00 177.39 175.36 1wm6 s HIS 15 N -2.73 -0.40 -0.19 -1.77 5.04 -1.16 -4.93 115.29 109.16 1wm6 s HIS 15 Ca 0.07 0.94 -0.05 0.00 -1.54 0.00 0.00 55.06 54.48 1wm6 s HIS 15 Cb 0.14 0.37 0.09 0.00 0.04 0.00 0.00 32.58 33.23 1wm6 s HIS 15 CO 0.75 -0.19 0.36 -1.17 -2.34 0.00 0.00 174.74 172.14 1wm6 s LEU 16 N 0.39 -0.52 0.26 8.88 2.96 -1.26 -1.39 118.68 128.00 1wm6 s LEU 16 Ca 0.02 0.68 -0.00 0.00 -0.22 0.00 0.00 54.13 54.61 1wm6 s LEU 16 Cb -0.05 1.08 -0.03 0.00 0.50 0.00 0.00 46.19 47.69 1wm6 s LEU 16 CO -0.09 -0.25 0.25 0.00 -1.32 0.00 0.00 176.35 174.93 1wm6 s ALA 17 N 2.53 1.18 0.08 5.97 0.00 -1.03 -5.04 121.76 125.46 1wm6 s ALA 17 Ca 0.02 -1.70 -0.32 0.00 0.00 0.00 0.00 51.96 49.96 1wm6 s ALA 17 Cb -0.13 1.36 -0.11 0.00 0.00 0.00 0.00 23.12 24.24 1wm6 s ALA 17 CO -0.12 -0.66 1.84 -2.30 0.00 0.00 0.00 175.76 174.52 1wm6 n PRO 18 N -0.41 2.63 -0.95 0.00 -0.02 -1.26 -2.02 135.00 132.97 1wm6 n PRO 18 Ca 0.03 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 1wm6 n PRO 18 Cb 0.64 -2.84 0.00 0.00 -0.02 0.00 0.00 33.50 31.28 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 4.21 0.47 3.21 -1.23 0.00 -1.25 -4.99 105.19 105.62 1wm6 n GLY 19 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.51 0.78 -0.16 1.61 -1.05 -0.86 -1.96 118.70 116.54 1wm6 s GLU 20 Ca 0.00 -0.66 -0.29 0.00 -0.15 0.00 0.00 54.97 53.87 1wm6 s GLU 20 Cb 0.00 0.33 0.09 0.00 -0.44 0.00 0.00 34.13 34.11 1wm6 s GLU 20 CO 0.00 -0.24 0.83 0.00 0.95 0.00 0.00 175.26 176.80 1wm6 s ALA 21 N -2.88 -1.85 -0.13 -0.84 0.00 -0.77 -2.45 121.76 112.84 1wm6 s ALA 21 Ca -0.03 1.63 0.00 0.00 0.00 0.00 0.00 51.96 53.57 1wm6 s ALA 21 Cb 0.00 -0.67 0.02 0.00 0.00 0.00 0.00 23.12 22.48 1wm6 s ALA 21 CO -0.06 -0.33 -0.12 0.08 0.00 0.00 0.00 175.76 175.34 1wm6 s VAL 22 N -0.60 1.34 -0.05 0.00 1.01 -0.48 0.17 120.40 121.79 1wm6 s VAL 22 Ca -0.04 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.50 1wm6 s VAL 22 Cb -0.02 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1wm6 s VAL 22 CO 0.03 0.42 -0.25 -0.69 0.00 0.00 0.00 175.10 174.61 1wm6 s VAL 23 N 1.46 2.02 0.16 2.92 1.01 -0.11 -0.19 120.40 127.67 1wm6 s VAL 23 Ca 0.02 -1.06 0.07 0.00 0.00 0.00 0.00 61.98 61.02 1wm6 s VAL 23 Cb -0.13 -1.70 -0.04 0.00 0.00 0.00 0.00 36.38 34.51 1wm6 s VAL 23 CO -0.08 0.56 -0.15 0.00 0.00 0.00 0.00 175.10 175.44 1wm6 s ALA 24 N -0.26 1.80 0.19 5.51 0.00 0.18 0.52 121.76 129.70 1wm6 s ALA 24 Ca -0.00 -1.49 -0.23 0.00 0.00 0.00 0.00 51.96 50.24 1wm6 s ALA 24 Cb -0.13 -0.10 0.06 0.00 0.00 0.00 0.00 23.12 22.96 1wm6 s ALA 24 CO 0.02 0.11 0.96 0.20 0.00 0.00 0.00 175.76 177.05 1wm6 s GLY 25 N -2.86 -0.08 -0.03 0.00 0.00 -0.53 -0.01 107.32 103.82 1wm6 s GLY 25 Ca 0.16 -0.10 0.07 0.00 0.00 0.00 0.00 44.72 44.84 1wm6 s GLY 25 CO 0.05 0.66 -0.23 1.85 0.00 0.00 0.00 173.10 175.43 1wm6 s GLU 26 N -2.91 1.96 -0.39 2.90 2.12 -1.26 -1.11 118.70 120.01 1wm6 s GLU 26 Ca 0.15 -0.81 -0.28 0.00 0.36 0.00 0.00 54.97 54.39 1wm6 s GLU 26 Cb -0.02 -1.83 -0.01 0.00 0.26 0.00 0.00 34.13 32.53 1wm6 s GLU 26 CO 0.04 0.45 1.63 0.08 -0.54 0.00 0.00 175.26 176.92 1wm6 s VAL 27 N -0.43 3.66 0.59 3.70 1.01 -0.14 -4.92 120.40 123.86 1wm6 s VAL 27 Ca 0.06 0.65 0.04 0.00 0.00 0.00 0.00 61.98 62.73 1wm6 s VAL 27 Cb -0.10 -3.92 0.07 0.00 0.00 0.00 0.00 36.38 32.43 1wm6 s VAL 27 CO 0.00 -0.61 0.82 -0.13 0.00 0.00 0.00 175.10 175.17 1wm6 s ARG 28 N 5.43 2.25 0.42 2.72 0.52 -1.26 0.13 118.95 129.16 1wm6 s ARG 28 Ca 0.70 -1.18 0.09 0.00 -0.52 0.00 0.00 55.73 54.82 1wm6 s ARG 28 Cb -0.18 -2.52 0.91 0.00 0.52 0.00 0.00 34.95 33.68 1wm6 s ARG 28 CO 0.32 -0.92 2.05 0.00 0.02 0.00 0.00 175.30 176.77 1wm6 h ALA 29 N -0.00 1.72 -0.03 2.13 0.00 -1.98 -1.68 119.26 119.40 1wm6 h ALA 29 Ca -0.37 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1wm6 h ALA 29 Cb 1.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1wm6 h ALA 29 CO 0.44 0.24 0.00 -0.40 0.00 0.00 0.00 179.25 179.54 1wm6 n ASP 30 N -4.45 0.29 -0.63 0.00 5.75 -1.26 -3.18 116.55 113.06 1wm6 n ASP 30 Ca 0.02 -1.54 0.09 0.00 -0.01 0.00 0.00 54.79 53.35 1wm6 n ASP 30 Cb 0.10 -0.02 0.05 0.00 -1.03 0.00 0.00 41.12 40.22 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 -0.57 0.00 -2.64 2.11 8.25 -0.63 -5.00 115.22 116.74 1wm6 n HIS 31 Ca 0.13 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.28 1wm6 n HIS 31 Cb 0.10 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.18 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 -1.71 3.71 0.00 2.41 1.43 -1.19 -0.64 118.68 122.69 1wm6 s LEU 32 Ca 0.19 1.25 0.02 0.00 -1.03 0.00 0.00 54.13 54.56 1wm6 s LEU 32 Cb 0.15 -4.17 0.11 0.00 0.03 0.00 0.00 46.19 42.31 1wm6 s LEU 32 CO 0.29 -0.50 0.78 -0.46 0.23 0.00 0.00 176.35 176.69 1wm6 n ASN 33 N -1.56 1.23 -0.15 2.29 0.23 0.05 -4.62 115.26 112.72 1wm6 n ASN 33 Ca 0.04 -1.99 0.21 0.00 -0.53 0.00 0.00 54.58 52.31 1wm6 n ASN 33 Cb 0.54 -0.49 0.61 0.00 -2.08 0.00 0.00 39.78 38.37 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 0.20 -1.37 -4.53 6.46 -1.99 -1.79 115.31 112.29 1wm6 h LEU 34 Ca -0.26 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.52 1wm6 h LEU 34 Cb 1.00 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.90 1wm6 h LEU 34 CO 0.29 0.09 0.00 1.41 -0.62 0.00 0.00 178.44 179.61 1wm6 n HIS 35 N -4.41 0.40 -0.49 1.25 8.25 -1.26 -4.95 115.22 114.00 1wm6 n HIS 35 Ca 0.16 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 1wm6 n HIS 35 Cb 0.72 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.83 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 1.16 0.87 3.85 -1.41 0.00 -0.67 -5.06 105.19 103.93 1wm6 n GLY 36 Ca 0.15 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.05 2.85 0.02 2.61 -4.23 -1.26 -4.48 115.64 108.10 1wm6 s THR 37 Ca 0.00 -1.39 -0.32 0.00 -1.18 0.00 0.00 61.69 58.80 1wm6 s THR 37 Cb 0.00 -3.04 -0.11 0.00 1.34 0.00 0.00 72.50 70.70 1wm6 s THR 37 CO 0.00 -0.05 1.89 0.00 -0.54 0.00 0.00 174.62 175.92 1wm6 n ALA 38 N -1.47 1.44 -1.74 3.99 0.00 0.22 -0.77 120.51 122.18 1wm6 n ALA 38 Ca 0.02 0.27 -0.40 0.00 0.00 0.00 0.00 53.44 53.32 1wm6 n ALA 38 Cb 0.61 -2.58 0.01 0.00 0.00 0.00 0.00 19.45 17.50 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 6.59 2.50 0.22 0.00 -0.00 0.19 -4.75 115.22 119.97 1wm6 n HIS 39 Ca 0.20 0.46 0.08 0.00 0.46 0.00 0.00 57.72 58.93 1wm6 n HIS 39 Cb 0.35 -2.43 0.62 0.00 -0.12 0.00 0.00 29.99 28.41 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 2.25 0.06 2.00 1.57 0.00 -1.91 -1.38 103.07 105.67 1wm6 h GLY 40 Ca -0.50 -0.02 -0.08 0.00 0.00 0.00 0.00 47.33 46.73 1wm6 h GLY 40 CO 0.61 0.02 -0.37 -1.33 0.00 0.00 0.00 176.54 175.46 1wm6 h GLY 41 N 0.06 0.00 0.37 4.60 0.00 -1.95 -1.85 103.07 104.30 1wm6 h GLY 41 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1wm6 h GLY 41 CO -0.00 0.00 -0.02 -2.75 0.00 0.00 0.00 176.54 173.77 1wm6 h PHE 42 N 0.00 -0.04 -0.81 5.60 3.57 -1.57 -0.59 116.94 123.11 1wm6 h PHE 42 Ca -0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.51 1wm6 h PHE 42 Cb 0.83 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.54 1wm6 h PHE 42 CO 0.00 0.56 0.53 -0.07 -2.23 0.00 0.00 178.31 177.10 1wm6 h LEU 43 N -0.68 0.90 -0.25 0.59 3.38 -1.49 -0.78 115.31 116.99 1wm6 h LEU 43 Ca -0.00 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 1wm6 h LEU 43 Cb 0.61 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1wm6 h LEU 43 CO 0.01 0.64 -0.43 0.22 0.09 0.00 0.00 178.44 178.97 1wm6 h TYR 44 N 1.06 0.92 -0.87 1.13 5.03 -1.37 -2.32 116.97 120.56 1wm6 h TYR 44 Ca 0.30 -0.32 0.04 0.00 2.58 0.00 0.00 58.73 61.33 1wm6 h TYR 44 Cb -0.07 -0.18 -0.05 0.00 1.55 0.00 0.00 36.73 37.98 1wm6 h TYR 44 CO -0.00 1.11 0.57 0.00 -1.32 0.00 0.00 178.16 178.51 1wm6 h ALA 45 N 0.65 1.47 -0.10 1.82 0.00 -0.44 0.58 119.26 123.23 1wm6 h ALA 45 Ca 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1wm6 h ALA 45 Cb 1.03 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1wm6 h ALA 45 CO 0.10 0.44 0.04 1.25 0.00 0.00 0.00 179.25 181.08 1wm6 h LEU 46 N 1.07 0.15 -0.50 0.00 5.85 -1.03 -1.07 115.31 119.78 1wm6 h LEU 46 Ca 0.35 -0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.76 1wm6 h LEU 46 Cb 0.04 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1wm6 h LEU 46 CO -0.11 0.30 -0.16 0.00 -0.34 0.00 0.00 178.44 178.14 1wm6 h ALA 47 N 0.85 0.69 -0.02 1.25 0.00 -0.83 -2.76 119.26 118.44 1wm6 h ALA 47 Ca 0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 1wm6 h ALA 47 Cb 0.20 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1wm6 h ALA 47 CO -0.00 0.64 -0.13 0.22 0.00 0.00 0.00 179.25 179.98 1wm6 h ASP 48 N 0.84 0.03 -0.22 0.00 3.58 0.25 -1.08 116.42 119.82 1wm6 h ASP 48 Ca 0.12 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.50 1wm6 h ASP 48 Cb 0.73 -0.01 -0.00 0.00 1.72 0.00 0.00 39.33 41.77 1wm6 h ASP 48 CO 0.06 0.16 -0.14 0.28 -2.88 0.00 0.00 179.24 176.72 1wm6 h SER 49 N 0.03 0.49 -0.44 2.28 0.02 -0.91 0.41 113.55 115.44 1wm6 h SER 49 Ca 0.01 -0.43 -0.05 0.00 -0.84 0.00 0.00 61.79 60.48 1wm6 h SER 49 Cb 0.24 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1wm6 h SER 49 CO 0.02 0.82 0.08 0.00 -1.14 0.00 0.00 176.83 176.61 1wm6 h ALA 50 N 0.69 0.58 -0.28 3.77 0.00 -1.29 -1.98 119.26 120.74 1wm6 h ALA 50 Ca 0.04 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1wm6 h ALA 50 Cb 0.65 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.23 1wm6 h ALA 50 CO 0.04 0.28 -0.03 0.35 0.00 0.00 0.00 179.25 179.89 1wm6 h PHE 51 N 0.58 -0.07 -0.36 0.00 3.57 -1.13 0.14 116.94 119.68 1wm6 h PHE 51 Ca 0.13 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1wm6 h PHE 51 Cb 0.36 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1wm6 h PHE 51 CO 0.02 -0.08 0.22 0.00 -2.23 0.00 0.00 178.31 176.25 1wm6 h ALA 52 N 1.26 0.46 0.11 2.41 0.00 -0.76 -0.93 119.26 121.81 1wm6 h ALA 52 Ca 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wm6 h ALA 52 Cb 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1wm6 h ALA 52 CO -0.25 -0.05 -0.05 -0.07 0.00 0.00 0.00 179.25 178.83 1wm6 h LEU 53 N 0.47 -0.13 -0.94 0.00 3.38 -1.00 -1.87 115.31 115.21 1wm6 h LEU 53 Ca 0.13 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1wm6 h LEU 53 Cb 0.00 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1wm6 h LEU 53 CO -0.02 0.10 0.61 0.00 0.09 0.00 0.00 178.44 179.21 1wm6 h ALA 54 N 0.50 1.27 -0.23 1.53 0.00 -0.66 -2.51 119.26 119.17 1wm6 h ALA 54 Ca -0.02 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 1wm6 h ALA 54 Cb 0.29 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1wm6 h ALA 54 CO 0.03 0.46 -0.42 0.66 0.00 0.00 0.00 179.25 179.97 1wm6 h SER 55 N 1.16 0.58 0.00 0.00 4.64 -1.11 -3.03 113.55 115.79 1wm6 h SER 55 Ca 0.39 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1wm6 h SER 55 Cb 0.05 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 1wm6 h SER 55 CO -0.14 0.93 0.00 0.59 -0.87 0.00 0.00 176.83 177.34 1wm6 n ASN 56 N -4.02 0.00 0.04 4.97 3.02 -0.71 -2.72 115.26 115.83 1wm6 n ASN 56 Ca -0.02 -1.12 0.14 0.00 -0.03 0.00 0.00 54.58 53.54 1wm6 n ASN 56 Cb 0.52 0.00 0.54 0.00 -0.61 0.00 0.00 39.78 40.23 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 -0.89 0.24 -0.26 3.41 -2.24 -1.14 -2.43 114.28 110.97 1wm6 n THR 57 Ca 0.17 -0.10 0.11 0.00 -2.27 0.00 0.00 64.05 61.96 1wm6 n THR 57 Cb 0.08 -0.54 0.29 0.00 -2.10 0.00 0.00 70.33 68.05 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 2.71 0.00 -0.78 5.12 -1.10 -4.79 116.66 116.03 1wm6 n ARG 58 Ca 0.06 -2.53 0.00 0.00 -1.93 0.00 0.00 57.85 53.45 1wm6 n ARG 58 Cb 0.37 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.15 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 1.47 2.14 3.56 -0.13 0.00 -1.02 -5.01 105.19 106.20 1wm6 n GLY 59 Ca 0.22 -2.03 -0.55 0.00 0.00 0.00 0.00 46.02 43.66 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 0.64 0.64 -3.84 1.61 -0.04 -1.26 -4.32 135.00 128.42 1wm6 n PRO 60 Ca 0.00 0.23 -0.12 0.00 -0.04 0.00 0.00 63.50 63.57 1wm6 n PRO 60 Cb 0.00 -1.81 -0.10 0.00 -0.04 0.00 0.00 33.50 31.55 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 0.39 -0.41 -0.08 0.55 0.00 -1.26 -1.63 121.76 119.33 1wm6 s ALA 61 Ca 0.88 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.93 1wm6 s ALA 61 Cb -1.10 0.01 0.01 0.00 0.00 0.00 0.00 23.12 22.04 1wm6 s ALA 61 CO 0.52 -0.19 -0.17 0.54 0.00 0.00 0.00 175.76 176.46 1wm6 s VAL 62 N -1.05 1.50 0.36 0.00 0.11 -0.51 -4.94 120.40 115.88 1wm6 s VAL 62 Ca -0.11 -0.69 -0.28 0.00 -2.93 0.00 0.00 61.98 57.96 1wm6 s VAL 62 Cb -0.06 -1.33 -0.11 0.00 -1.53 0.00 0.00 36.38 33.35 1wm6 s VAL 62 CO 0.02 0.44 1.42 0.00 -3.33 0.00 0.00 175.10 173.64 1wm6 s ALA 63 N 0.52 3.53 -0.02 1.54 0.00 -1.26 -0.40 121.76 125.67 1wm6 s ALA 63 Ca -0.16 1.45 -0.06 0.00 0.00 0.00 0.00 51.96 53.20 1wm6 s ALA 63 Cb -0.17 -3.56 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 1wm6 s ALA 63 CO 0.06 -0.91 -0.11 1.28 0.00 0.00 0.00 175.76 176.08 1wm6 n LEU 64 N 0.55 1.03 -3.95 0.00 4.77 0.04 -4.83 117.00 114.60 1wm6 n LEU 64 Ca 0.01 0.16 -0.20 0.00 -0.03 0.00 0.00 56.01 55.94 1wm6 n LEU 64 Cb 0.40 -0.43 -0.16 0.00 -2.33 0.00 0.00 43.42 40.90 1wm6 n LEU 64 CO 0.62 -0.52 -0.42 -0.55 -1.33 0.00 0.00 177.39 175.18 1wm6 s SER 65 N -5.51 1.09 0.07 -1.43 0.15 -1.13 -5.01 113.70 101.92 1wm6 s SER 65 Ca -0.09 -0.16 0.05 0.00 0.70 0.00 0.00 55.95 56.44 1wm6 s SER 65 Cb 0.01 -0.41 -0.03 0.00 -1.71 0.00 0.00 66.02 63.88 1wm6 s SER 65 CO 0.14 0.01 -0.13 0.00 1.20 0.00 0.00 173.24 174.46 1wm6 s ARG 67 N -1.87 0.88 -0.15 0.00 3.52 0.54 -4.98 118.95 116.90 1wm6 s ARG 67 Ca -0.02 -0.21 0.01 0.00 -0.13 0.00 0.00 55.73 55.38 1wm6 s ARG 67 Cb -0.09 -0.84 0.02 0.00 -1.56 0.00 0.00 34.95 32.48 1wm6 s ARG 67 CO 0.02 0.03 -0.17 1.41 -0.81 0.00 0.00 175.30 175.78 1wm6 s MET 68 N 0.47 2.55 -0.24 5.12 -2.45 -1.26 -0.75 119.30 122.74 1wm6 s MET 68 Ca -0.07 -0.66 -0.04 0.00 -1.25 0.00 0.00 55.69 53.67 1wm6 s MET 68 Cb -0.11 -2.25 -0.00 0.00 1.25 0.00 0.00 34.83 33.72 1wm6 s MET 68 CO 0.01 -0.20 -0.01 -0.51 1.05 0.00 0.00 175.02 175.35 1wm6 s ASP 69 N 1.34 4.52 -0.10 1.11 1.01 -0.06 -4.98 116.67 119.51 1wm6 s ASP 69 Ca 0.03 -0.50 -0.17 0.00 0.71 0.00 0.00 52.55 52.62 1wm6 s ASP 69 Cb -0.13 -1.77 -0.05 0.00 1.01 0.00 0.00 42.92 41.98 1wm6 s ASP 69 CO -0.10 -0.07 0.45 -0.31 0.21 0.00 0.00 175.17 175.35 1wm6 s TYR 70 N 1.47 3.56 -0.04 4.23 2.02 -1.26 -1.06 117.35 126.27 1wm6 s TYR 70 Ca 0.04 0.89 0.00 0.00 -0.37 0.00 0.00 57.07 57.63 1wm6 s TYR 70 Cb -0.15 -2.48 -0.03 0.00 -0.40 0.00 0.00 41.96 38.90 1wm6 s TYR 70 CO -0.02 0.27 -0.04 1.19 -1.57 0.00 0.00 175.55 175.39 1wm6 n PHE 71 N 3.27 0.00 -4.18 2.71 3.72 0.05 -5.00 117.46 118.03 1wm6 n PHE 71 Ca -0.09 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.15 1wm6 n PHE 71 Cb 0.52 -0.15 -0.14 0.00 -0.94 0.00 0.00 39.48 38.77 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 -2.08 0.54 0.43 -1.08 0.52 -0.81 -5.05 118.95 111.42 1wm6 s ARG 72 Ca -0.05 -0.41 -0.13 0.00 -0.52 0.00 0.00 55.73 54.62 1wm6 s ARG 72 Cb 0.01 -0.46 -0.07 0.00 0.52 0.00 0.00 34.95 34.95 1wm6 s ARG 72 CO 0.09 0.12 0.83 -1.25 0.02 0.00 0.00 175.30 175.11 1wm6 s PRO 73 N -0.61 3.86 0.04 3.54 0.04 -1.26 -4.83 135.00 135.77 1wm6 s PRO 73 Ca -0.01 0.64 0.07 0.00 0.04 0.00 0.00 61.00 61.74 1wm6 s PRO 73 Cb -0.05 -2.32 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 1wm6 s PRO 73 CO 0.00 -0.09 -0.19 -0.51 0.04 0.00 0.00 177.00 176.25 1wm6 s LEU 74 N -3.82 2.15 0.41 -3.56 1.43 -1.26 -5.01 118.68 109.03 1wm6 s LEU 74 Ca 0.54 -0.49 0.08 0.00 -1.03 0.00 0.00 54.13 53.23 1wm6 s LEU 74 Cb -0.10 -0.90 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 1wm6 s LEU 74 CO 0.30 0.14 0.44 -0.83 0.23 0.00 0.00 176.35 176.62 1wm6 s GLY 75 N -1.10 2.07 0.51 -3.19 0.00 -1.26 0.72 107.32 105.07 1wm6 s GLY 75 Ca 0.06 -1.81 -0.21 0.00 0.00 0.00 0.00 44.72 42.76 1wm6 s GLY 75 CO 0.01 -1.63 0.90 0.00 0.00 0.00 0.00 173.10 172.39 1wm6 n ALA 76 N -1.64 -0.07 0.00 3.20 0.00 -1.26 -2.22 120.51 118.52 1wm6 n ALA 76 Ca 0.05 0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1wm6 n ALA 76 Cb 0.61 -2.04 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 1.33 2.72 3.75 0.00 0.00 0.35 -4.97 105.19 108.38 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 -2.09 3.58 -0.22 4.61 0.00 -0.94 -4.65 121.76 122.05 1wm6 s ALA 78 Ca 0.00 1.25 -0.20 0.00 0.00 0.00 0.00 51.96 53.01 1wm6 s ALA 78 Cb 0.00 -3.52 -0.02 0.00 0.00 0.00 0.00 23.12 19.57 1wm6 s ALA 78 CO 0.00 -0.66 0.62 1.03 0.00 0.00 0.00 175.76 176.75 1wm6 s ARG 79 N -0.47 4.18 0.09 0.00 0.52 -1.26 -0.97 118.95 121.03 1wm6 s ARG 79 Ca 0.57 0.57 0.09 0.00 -0.52 0.00 0.00 55.73 56.44 1wm6 s ARG 79 Cb -0.40 -3.60 -0.03 0.00 0.52 0.00 0.00 34.95 31.44 1wm6 s ARG 79 CO 0.43 -0.29 -0.23 0.54 0.02 0.00 0.00 175.30 175.77 1wm6 s VAL 80 N 2.08 1.87 -0.02 3.52 0.11 -0.27 -4.14 120.40 123.56 1wm6 s VAL 80 Ca 0.27 -1.48 0.04 0.00 -2.93 0.00 0.00 61.98 57.88 1wm6 s VAL 80 Cb -0.16 -1.66 -0.01 0.00 -1.53 0.00 0.00 36.38 33.03 1wm6 s VAL 80 CO 0.10 0.09 -0.12 -0.70 -3.33 0.00 0.00 175.10 171.14 1wm6 s GLU 81 N -1.67 1.07 -0.25 1.54 2.12 0.18 -1.46 118.70 120.23 1wm6 s GLU 81 Ca 0.09 -0.43 -0.03 0.00 0.36 0.00 0.00 54.97 54.96 1wm6 s GLU 81 Cb -0.10 -1.01 0.02 0.00 0.26 0.00 0.00 34.13 33.30 1wm6 s GLU 81 CO 0.04 0.23 -0.03 0.00 -0.54 0.00 0.00 175.26 174.96 1wm6 s ALA 82 N -0.16 2.78 -0.38 6.30 0.00 0.19 0.63 121.76 131.10 1wm6 s ALA 82 Ca 0.02 -1.41 -0.06 0.00 0.00 0.00 0.00 51.96 50.51 1wm6 s ALA 82 Cb -0.06 -1.77 0.07 0.00 0.00 0.00 0.00 23.12 21.36 1wm6 s ALA 82 CO -0.00 -0.77 0.18 1.03 0.00 0.00 0.00 175.76 176.20 1wm6 s ARG 83 N 1.38 2.48 -0.14 0.00 0.52 0.10 -0.93 118.95 122.36 1wm6 s ARG 83 Ca 0.02 -1.43 -0.15 0.00 -0.52 0.00 0.00 55.73 53.65 1wm6 s ARG 83 Cb -0.16 -3.59 -0.05 0.00 0.52 0.00 0.00 34.95 31.67 1wm6 s ARG 83 CO -0.03 -0.86 0.35 0.00 0.02 0.00 0.00 175.30 174.78 1wm6 s ALA 84 N 1.35 3.56 0.11 2.13 0.00 0.13 -1.76 121.76 127.28 1wm6 s ALA 84 Ca 0.02 -0.36 0.06 0.00 0.00 0.00 0.00 51.96 51.68 1wm6 s ALA 84 Cb -0.22 -2.46 -0.04 0.00 0.00 0.00 0.00 23.12 20.40 1wm6 s ALA 84 CO 0.01 0.09 -0.15 0.14 0.00 0.00 0.00 175.76 175.84 1wm6 s VAL 85 N 0.43 1.38 -0.11 0.00 -7.23 -0.06 -1.85 120.40 112.95 1wm6 s VAL 85 Ca 0.20 -1.63 -0.23 0.00 -1.81 0.00 0.00 61.98 58.51 1wm6 s VAL 85 Cb -0.14 -1.47 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 1wm6 s VAL 85 CO 0.06 -0.32 0.70 -0.70 -0.31 0.00 0.00 175.10 174.53 1wm6 s GLU 86 N -2.39 4.37 -0.22 4.82 2.12 -0.83 -1.16 118.70 125.41 1wm6 s GLU 86 Ca 0.07 0.84 0.13 0.00 0.36 0.00 0.00 54.97 56.36 1wm6 s GLU 86 Cb -0.07 -3.49 -0.22 0.00 0.26 0.00 0.00 34.13 30.61 1wm6 s GLU 86 CO 0.03 -0.05 -0.03 0.28 -0.54 0.00 0.00 175.26 174.95 1wm6 n VAL 87 N 4.10 1.41 -3.68 3.70 0.31 0.45 -4.92 118.33 119.70 1wm6 n VAL 87 Ca -0.01 -0.76 -0.13 0.00 -0.01 0.00 0.00 64.34 63.43 1wm6 n VAL 87 Cb 0.51 -0.78 -0.09 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 -5.81 -0.59 -0.22 4.52 2.47 -0.93 -4.98 114.94 109.40 1wm6 s ASN 88 Ca -0.18 1.14 -0.02 0.00 0.42 0.00 0.00 52.86 54.22 1wm6 s ASN 88 Cb 0.07 1.15 0.07 0.00 -1.45 0.00 0.00 41.25 41.08 1wm6 s ASN 88 CO 0.75 -0.20 0.04 -0.22 -3.72 0.00 0.00 177.10 173.75 1wm6 s LEU 89 N 0.36 1.56 0.00 3.21 2.96 -1.26 -1.01 118.68 124.49 1wm6 s LEU 89 Ca -0.00 -1.04 0.05 0.00 -0.22 0.00 0.00 54.13 52.91 1wm6 s LEU 89 Cb -0.04 -0.72 0.05 0.00 0.50 0.00 0.00 46.19 45.98 1wm6 s LEU 89 CO -0.00 -0.32 0.42 -1.20 -1.32 0.00 0.00 176.35 173.93 1wm6 n SER 90 N 4.96 2.36 -0.06 3.68 7.64 0.30 -5.02 113.62 127.48 1wm6 n SER 90 Ca -0.08 -2.56 -0.12 0.00 1.01 0.00 0.00 58.87 57.12 1wm6 n SER 90 Cb 0.46 -0.10 -0.06 0.00 -1.01 0.00 0.00 64.21 63.50 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 0.34 -0.00 1.43 2.43 -2.01 -3.35 114.38 113.22 1wm6 h ARG 91 Ca -0.28 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 58.76 1wm6 h ARG 91 Cb 1.08 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 1wm6 h ARG 91 CO 0.44 0.59 -0.59 0.54 -1.51 0.00 0.00 179.97 179.44 1wm6 n ARG 92 N -4.67 2.02 -3.91 0.20 5.12 -1.26 -4.80 116.66 109.35 1wm6 n ARG 92 Ca -0.05 -0.22 -0.09 0.00 -1.93 0.00 0.00 57.85 55.56 1wm6 n ARG 92 Cb 0.26 -1.21 -0.09 0.00 -1.16 0.00 0.00 32.46 30.26 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 -2.24 0.14 -0.00 0.55 -4.23 -1.26 -0.26 115.64 108.34 1wm6 s THR 93 Ca 0.08 -1.19 -0.09 0.00 -1.18 0.00 0.00 61.69 59.31 1wm6 s THR 93 Cb 0.12 -1.13 0.01 0.00 1.34 0.00 0.00 72.50 72.83 1wm6 s THR 93 CO 0.54 -0.66 0.18 0.00 -0.54 0.00 0.00 174.62 174.15 1wm6 s ALA 94 N -3.20 -0.43 -0.04 3.99 0.00 -0.95 -0.54 121.76 120.59 1wm6 s ALA 94 Ca -0.00 -0.00 0.04 0.00 0.00 0.00 0.00 51.96 52.00 1wm6 s ALA 94 Cb 0.02 0.08 -0.00 0.00 0.00 0.00 0.00 23.12 23.22 1wm6 s ALA 94 CO -0.07 -0.22 -0.15 0.99 0.00 0.00 0.00 175.76 176.31 1wm6 s THR 95 N -1.31 1.29 0.10 0.00 2.01 -0.18 -0.34 115.64 117.20 1wm6 s THR 95 Ca -0.14 -0.64 0.07 0.00 0.31 0.00 0.00 61.69 61.29 1wm6 s THR 95 Cb -0.07 -1.11 -0.03 0.00 0.01 0.00 0.00 72.50 71.30 1wm6 s THR 95 CO 0.02 0.37 -0.17 -0.31 -0.69 0.00 0.00 174.62 173.84 1wm6 s TYR 96 N 0.05 1.53 -0.10 4.92 1.51 0.46 -0.41 117.35 125.31 1wm6 s TYR 96 Ca -0.03 -0.45 -0.00 0.00 -1.01 0.00 0.00 57.07 55.57 1wm6 s TYR 96 Cb -0.11 -0.84 -0.03 0.00 -0.11 0.00 0.00 41.96 40.88 1wm6 s TYR 96 CO 0.02 0.15 -0.08 0.50 -1.11 0.00 0.00 175.55 175.03 1wm6 s ARG 97 N -1.97 3.11 -0.14 -0.62 3.52 -0.31 -1.48 118.95 121.07 1wm6 s ARG 97 Ca 0.04 -0.58 0.00 0.00 -0.13 0.00 0.00 55.73 55.06 1wm6 s ARG 97 Cb -0.09 -2.67 0.02 0.00 -1.56 0.00 0.00 34.95 30.65 1wm6 s ARG 97 CO 0.03 0.46 -0.12 0.08 -0.81 0.00 0.00 175.30 174.94 1wm6 s VAL 98 N -0.25 1.39 -0.22 7.11 1.01 0.75 -0.89 120.40 129.30 1wm6 s VAL 98 Ca 0.03 -0.52 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 1wm6 s VAL 98 Cb -0.13 -1.33 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1wm6 s VAL 98 CO 0.03 0.43 0.19 -1.61 0.00 0.00 0.00 175.10 174.13 1wm6 s GLU 99 N 1.55 4.13 -0.31 2.72 2.02 -0.72 -0.41 118.70 127.68 1wm6 s GLU 99 Ca 0.05 -0.18 -0.13 0.00 0.02 0.00 0.00 54.97 54.73 1wm6 s GLU 99 Cb -0.13 -3.50 -0.03 0.00 0.10 0.00 0.00 34.13 30.57 1wm6 s GLU 99 CO -0.10 0.13 0.29 0.08 0.02 0.00 0.00 175.26 175.68 1wm6 s VAL 100 N 0.85 5.24 0.06 2.63 1.01 -0.43 -0.72 120.40 129.03 1wm6 s VAL 100 Ca 0.10 0.16 0.08 0.00 0.00 0.00 0.00 61.98 62.31 1wm6 s VAL 100 Cb -0.13 -3.68 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 1wm6 s VAL 100 CO 0.03 0.09 -0.22 -0.69 0.00 0.00 0.00 175.10 174.31 1wm6 s VAL 101 N 1.90 1.76 -0.09 2.92 1.01 0.20 -0.58 120.40 127.52 1wm6 s VAL 101 Ca 0.10 -1.31 -0.04 0.00 0.00 0.00 0.00 61.98 60.73 1wm6 s VAL 101 Cb -0.16 -1.54 0.05 0.00 0.00 0.00 0.00 36.38 34.72 1wm6 s VAL 101 CO 0.11 0.17 0.19 -0.55 0.00 0.00 0.00 175.10 175.02 1wm6 s SER 102 N -1.36 0.30 -1.48 3.32 0.15 -0.56 0.47 113.70 114.54 1wm6 s SER 102 Ca 0.08 0.40 -0.02 0.00 0.70 0.00 0.00 55.95 57.11 1wm6 s SER 102 Cb -0.09 0.35 0.02 0.00 -1.71 0.00 0.00 66.02 64.59 1wm6 s SER 102 CO 0.02 -0.21 0.36 -0.62 1.20 0.00 0.00 173.24 173.99 1wm6 n GLU 103 N 4.88 -2.67 -0.93 5.44 1.02 -1.26 -0.70 120.64 126.41 1wm6 n GLU 103 Ca -0.14 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.32 1wm6 n GLU 103 Cb 0.51 -4.36 0.00 0.00 -0.02 0.00 0.00 31.44 27.56 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 -2.06 0.38 3.63 0.62 0.00 -1.26 -5.01 105.19 101.50 1wm6 n GLY 104 Ca -0.27 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.71 2.76 -0.59 1.61 -0.14 0.12 -5.06 119.74 117.73 1wm6 s LYS 105 Ca 0.00 -0.57 -0.26 0.00 -1.36 0.00 0.00 55.97 53.78 1wm6 s LYS 105 Cb 0.00 -2.63 0.04 0.00 -1.68 0.00 0.00 37.83 33.55 1wm6 s LYS 105 CO 0.00 0.65 1.08 -1.17 -0.76 0.00 0.00 175.35 175.15 1wm6 s LEU 106 N -1.15 3.75 -0.00 3.17 2.96 -1.26 -1.50 118.68 124.66 1wm6 s LEU 106 Ca 0.15 -0.22 -0.20 0.00 -0.22 0.00 0.00 54.13 53.65 1wm6 s LEU 106 Cb -0.11 -2.91 -0.26 0.00 0.50 0.00 0.00 46.19 43.41 1wm6 s LEU 106 CO 0.05 -1.41 1.05 0.58 -1.32 0.00 0.00 176.35 175.30 1wm6 h VAL 107 N 6.07 1.43 -3.13 1.68 2.07 -1.18 -3.41 116.25 119.78 1wm6 h VAL 107 Ca -0.26 -2.23 -0.04 0.00 0.82 0.00 0.00 66.70 65.00 1wm6 h VAL 107 Cb 1.06 2.74 -0.13 0.00 -1.52 0.00 0.00 31.29 33.45 1wm6 h VAL 107 CO 1.16 0.65 0.08 0.00 0.02 0.00 0.00 177.57 179.47 1wm6 s ALA 108 N -3.01 -1.30 -0.13 1.67 0.00 -1.11 -0.77 121.76 117.11 1wm6 s ALA 108 Ca -0.13 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.14 1wm6 s ALA 108 Cb 0.03 0.76 0.01 0.00 0.00 0.00 0.00 23.12 23.92 1wm6 s ALA 108 CO 0.84 -0.69 -0.19 -1.17 0.00 0.00 0.00 175.76 174.55 1wm6 s LEU 109 N -2.69 1.92 -0.08 0.00 2.96 -0.22 -1.32 118.68 119.24 1wm6 s LEU 109 Ca 0.01 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.41 1wm6 s LEU 109 Cb 0.00 -1.28 -0.02 0.00 0.50 0.00 0.00 46.19 45.39 1wm6 s LEU 109 CO -0.11 0.04 -0.12 0.12 -1.32 0.00 0.00 176.35 174.96 1wm6 s PHE 110 N 0.93 2.80 -0.10 5.38 2.19 0.46 -0.89 117.98 128.75 1wm6 s PHE 110 Ca -0.06 -0.26 -0.00 0.00 0.33 0.00 0.00 56.93 56.94 1wm6 s PHE 110 Cb -0.15 -1.73 0.02 0.00 -1.31 0.00 0.00 43.02 39.86 1wm6 s PHE 110 CO -0.02 0.10 -0.08 0.99 1.83 0.00 0.00 175.22 178.04 1wm6 s THR 111 N -0.38 0.99 0.05 0.12 2.01 0.07 -0.18 115.64 118.31 1wm6 s THR 111 Ca 0.05 -0.28 0.02 0.00 0.31 0.00 0.00 61.69 61.78 1wm6 s THR 111 Cb -0.12 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 1wm6 s THR 111 CO 0.02 0.36 -0.08 -0.83 -0.69 0.00 0.00 174.62 173.40 1wm6 s GLY 112 N 1.55 0.56 -0.03 4.40 0.00 -0.55 -0.34 107.32 112.91 1wm6 s GLY 112 Ca 0.02 -0.84 0.04 0.00 0.00 0.00 0.00 44.72 43.94 1wm6 s GLY 112 CO -0.06 -0.89 -0.14 -1.59 0.00 0.00 0.00 173.10 170.41 1wm6 s THR 113 N -1.57 1.20 0.33 0.90 2.01 -0.38 -0.40 115.64 117.72 1wm6 s THR 113 Ca -0.07 -0.59 0.10 0.00 0.31 0.00 0.00 61.69 61.43 1wm6 s THR 113 Cb -0.09 -1.03 -0.06 0.00 0.01 0.00 0.00 72.50 71.33 1wm6 s THR 113 CO 0.00 0.35 -0.07 0.68 -0.69 0.00 0.00 174.62 174.90 1wm6 s VAL 114 N 0.05 2.49 -0.21 3.82 -7.23 0.54 -0.78 120.40 119.07 1wm6 s VAL 114 Ca -0.03 -2.13 -0.05 0.00 -1.81 0.00 0.00 61.98 57.96 1wm6 s VAL 114 Cb -0.10 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 1wm6 s VAL 114 CO 0.01 -0.24 0.00 0.12 -0.31 0.00 0.00 175.10 174.69 1wm6 s PHE 115 N -2.55 3.03 -0.27 2.82 2.19 0.47 -2.23 117.98 121.44 1wm6 s PHE 115 Ca 0.33 -0.54 -0.27 0.00 0.33 0.00 0.00 56.93 56.78 1wm6 s PHE 115 Cb -0.00 -2.11 0.01 0.00 -1.31 0.00 0.00 43.02 39.60 1wm6 s PHE 115 CO 0.18 -0.31 0.94 1.03 1.83 0.00 0.00 175.22 178.88 1wm6 s ARG 116 N 1.18 4.13 0.00 10.12 0.52 0.64 -1.42 118.95 134.12 1wm6 s ARG 116 Ca 0.03 1.01 0.20 0.00 -0.52 0.00 0.00 55.73 56.45 1wm6 s ARG 116 Cb -0.14 -3.68 1.18 0.00 0.52 0.00 0.00 34.95 32.82 1wm6 s ARG 116 CO 0.01 -0.67 1.57 1.28 0.02 0.00 0.00 175.30 177.51