#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yx6 n MET 2 N 0.00 0.00 -0.61 -0.41 1.56 -1.26 -5.04 117.12 111.36 1yx6 n MET 2 Ca 0.00 0.00 0.02 0.00 -0.27 0.00 0.00 57.70 57.45 1yx6 n MET 2 Cb 0.00 0.00 0.23 0.00 2.15 0.00 0.00 33.22 35.60 1yx6 n MET 2 CO 0.00 0.00 0.00 -0.11 -0.73 0.00 0.00 175.97 175.13 1yx6 n LEU 3 N 0.00 4.03 -3.77 -0.89 7.94 -1.26 -4.83 117.00 118.22 1yx6 n LEU 3 Ca 0.00 -3.37 -0.42 0.00 -1.11 0.00 0.00 56.01 51.11 1yx6 n LEU 3 Cb 0.00 -0.59 0.00 0.00 0.53 0.00 0.00 43.42 43.36 1yx6 n LEU 3 CO 0.00 0.94 2.28 0.61 -1.11 0.00 0.00 177.39 180.11 1yx6 n GLY 4 N -0.84 4.68 2.03 -3.96 0.00 -1.26 -4.32 105.19 101.52 1yx6 n GLY 4 Ca 0.28 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 44.38 1yx6 n GLY 4 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1yx6 n LEU 5 N 4.38 -0.63 -3.98 0.99 0.00 -1.26 -5.16 117.00 111.33 1yx6 n LEU 5 Ca 0.47 0.32 -0.10 0.00 0.00 0.00 0.00 56.01 56.70 1yx6 n LEU 5 Cb 0.36 0.74 -0.04 0.00 0.00 0.00 0.00 43.42 44.48 1yx6 n LEU 5 CO 0.84 -0.51 0.24 -0.83 0.00 0.00 0.00 177.39 177.12 1yx6 s GLY 6 N -3.77 0.62 -0.08 -3.96 0.00 -1.26 -5.07 107.32 93.81 1yx6 s GLY 6 Ca 0.00 -0.92 0.18 0.00 0.00 0.00 0.00 44.72 43.98 1yx6 s GLY 6 CO 0.00 -0.61 1.17 0.00 0.00 0.00 0.00 173.10 173.66 1yx6 n ALA 7 N -0.43 2.74 -2.05 3.20 0.00 -1.26 -4.77 120.51 117.93 1yx6 n ALA 7 Ca -0.02 -2.54 0.00 0.00 0.00 0.00 0.00 53.44 50.88 1yx6 n ALA 7 Cb 0.61 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1yx6 n ALA 7 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1yx6 n SER 8 N -0.19 0.10 0.04 0.00 2.88 -1.26 -4.82 113.62 110.38 1yx6 n SER 8 Ca 0.10 -2.00 0.12 0.00 -1.33 0.00 0.00 58.87 55.76 1yx6 n SER 8 Cb 0.93 -0.21 0.09 0.00 -0.75 0.00 0.00 64.21 64.27 1yx6 n SER 8 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1yx6 n ASP 9 N 0.05 0.65 -2.88 -3.46 5.75 -1.26 -4.34 116.55 111.06 1yx6 n ASP 9 Ca 0.01 -0.06 -0.22 0.00 -0.01 0.00 0.00 54.79 54.50 1yx6 n ASP 9 Cb 0.75 0.50 -0.02 0.00 -1.03 0.00 0.00 41.12 41.32 1yx6 n ASP 9 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 1yx6 n PHE 10 N -2.03 2.57 -1.45 2.11 3.72 -1.26 -4.91 117.46 116.21 1yx6 n PHE 10 Ca 0.03 -3.63 -0.34 0.00 -0.05 0.00 0.00 57.45 53.46 1yx6 n PHE 10 Cb 0.44 -0.38 -0.05 0.00 -0.94 0.00 0.00 39.48 38.55 1yx6 n PHE 10 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1yx6 n GLU 11 N -0.13 3.55 -4.00 -1.08 0.28 -1.26 -4.63 120.64 113.36 1yx6 n GLU 11 Ca 0.28 -2.34 -0.32 0.00 -0.16 0.00 0.00 57.16 54.62 1yx6 n GLU 11 Cb 0.57 -2.57 0.01 0.00 1.43 0.00 0.00 31.44 30.88 1yx6 n GLU 11 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1yx6 n PHE 12 N 2.69 -2.12 -2.22 -1.84 3.01 -1.26 -4.84 117.46 110.89 1yx6 n PHE 12 Ca 0.66 0.87 0.04 0.00 1.01 0.00 0.00 57.45 60.03 1yx6 n PHE 12 Cb 0.37 -3.68 0.05 0.00 -0.01 0.00 0.00 39.48 36.21 1yx6 n PHE 12 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yx6 n GLY 13 N -1.61 1.63 0.06 1.37 0.00 -1.26 -4.87 105.19 100.52 1yx6 n GLY 13 Ca 0.04 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.30 1yx6 n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1yx6 n VAL 14 N 0.10 0.00 -4.21 1.61 0.24 -1.26 -5.10 118.33 109.71 1yx6 n VAL 14 Ca 0.07 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.25 1yx6 n VAL 14 Cb 0.98 -0.01 -0.10 0.00 -1.47 0.00 0.00 33.84 33.24 1yx6 n VAL 14 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1yx6 s ASP 15 N -2.18 1.06 -0.31 -1.34 1.47 -1.26 -5.03 116.67 109.08 1yx6 s ASP 15 Ca 0.00 -1.14 -0.27 0.00 1.18 0.00 0.00 52.55 52.32 1yx6 s ASP 15 Cb 0.00 0.14 -0.30 0.00 -0.34 0.00 0.00 42.92 42.42 1yx6 s ASP 15 CO 0.00 -0.57 1.65 -0.81 0.68 0.00 0.00 175.17 176.12 1yx6 n PRO 16 N -0.17 0.03 -2.79 2.11 -0.04 -1.26 -3.03 135.00 129.85 1yx6 n PRO 16 Ca -0.08 -1.10 -0.19 0.00 -0.04 0.00 0.00 63.50 62.10 1yx6 n PRO 16 Cb 0.63 -2.76 0.02 0.00 -0.04 0.00 0.00 33.50 31.35 1yx6 n PRO 16 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1yx6 n SER 17 N 11.65 -5.38 -3.23 3.54 7.64 -1.26 -2.67 113.62 123.91 1yx6 n SER 17 Ca 0.41 -0.20 -0.20 0.00 1.01 0.00 0.00 58.87 59.89 1yx6 n SER 17 Cb 0.43 -4.26 -0.04 0.00 -1.01 0.00 0.00 64.21 59.33 1yx6 n SER 17 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yx6 n ALA 18 N -3.00 -0.96 -3.43 -0.43 0.00 -1.17 -4.80 120.51 106.72 1yx6 n ALA 18 Ca -0.12 -0.10 0.01 0.00 0.00 0.00 0.00 53.44 53.24 1yx6 n ALA 18 Cb 0.61 -1.35 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 1yx6 n ALA 18 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1yx6 s ASP 19 N -2.36 -0.59 0.30 0.00 -1.08 -1.09 -5.01 116.67 106.84 1yx6 s ASP 19 Ca 0.38 0.82 0.25 0.00 -0.52 0.00 0.00 52.55 53.48 1yx6 s ASP 19 Cb -0.22 1.64 1.03 0.00 -1.46 0.00 0.00 42.92 43.91 1yx6 s ASP 19 CO 0.47 -0.12 1.75 1.55 0.52 0.00 0.00 175.17 179.34 1yx6 h PRO 20 N 7.39 0.00 0.00 4.34 0.13 -1.87 -2.41 132.00 139.58 1yx6 h PRO 20 Ca -0.17 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.83 1yx6 h PRO 20 Cb 1.12 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 1yx6 h PRO 20 CO 0.09 0.00 -0.63 1.49 -0.23 0.00 0.00 178.00 178.72 1yx6 h GLU 21 N 0.00 0.00 0.00 0.86 4.81 -1.95 -2.43 114.58 115.87 1yx6 h GLU 21 Ca 0.00 0.00 -0.22 0.00 -0.13 0.00 0.00 59.36 59.01 1yx6 h GLU 21 Cb 0.39 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.73 1yx6 h GLU 21 CO 0.00 0.63 -1.55 1.28 -0.73 0.00 0.00 179.01 178.64 1yx6 n LEU 22 N -3.47 0.84 -0.04 1.64 4.77 -0.94 -2.54 117.00 117.25 1yx6 n LEU 22 Ca 0.00 0.38 -0.16 0.00 -0.03 0.00 0.00 56.01 56.20 1yx6 n LEU 22 Cb 0.71 0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.85 1yx6 n LEU 22 CO 0.42 0.24 0.36 0.00 -1.33 0.00 0.00 177.39 177.07 1yx6 h ALA 23 N 1.26 0.31 0.05 -1.18 0.00 -1.45 -2.27 119.26 115.99 1yx6 h ALA 23 Ca -0.22 -0.54 -0.23 0.00 0.00 0.00 0.00 54.91 53.92 1yx6 h ALA 23 Cb 1.75 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1yx6 h ALA 23 CO 0.06 0.57 -1.05 1.25 0.00 0.00 0.00 179.25 180.07 1yx6 h LEU 24 N 0.43 0.28 -0.98 0.00 6.46 -1.59 -2.72 115.31 117.20 1yx6 h LEU 24 Ca -0.03 -0.27 -0.08 0.00 -0.12 0.00 0.00 57.88 57.38 1yx6 h LEU 24 Cb 1.23 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 41.06 1yx6 h LEU 24 CO 0.13 1.16 -0.12 0.00 -0.62 0.00 0.00 178.44 178.98 1yx6 h ALA 25 N 0.81 1.15 0.00 1.25 0.00 -1.51 0.72 119.26 121.68 1yx6 h ALA 25 Ca -0.07 -0.29 -0.07 0.00 0.00 0.00 0.00 54.91 54.47 1yx6 h ALA 25 Cb 1.75 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 1yx6 h ALA 25 CO 0.16 0.54 -0.34 1.25 0.00 0.00 0.00 179.25 180.86 1yx6 h LEU 26 N 0.55 0.00 0.02 0.00 7.12 -1.43 -2.35 115.31 119.22 1yx6 h LEU 26 Ca 0.10 0.00 -0.26 0.00 0.13 0.00 0.00 57.88 57.85 1yx6 h LEU 26 Cb 0.54 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.63 1yx6 h LEU 26 CO 0.03 0.34 -1.38 -0.09 -0.13 0.00 0.00 178.44 177.22 1yx6 h ARG 27 N 0.00 0.04 0.17 1.25 2.43 -1.12 -2.85 114.38 114.29 1yx6 h ARG 27 Ca -0.00 -0.06 -0.30 0.00 -0.81 0.00 0.00 59.98 58.81 1yx6 h ARG 27 Cb 1.25 0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.85 1yx6 h ARG 27 CO 0.04 0.81 -1.31 0.28 -1.51 0.00 0.00 179.97 178.28 1yx6 h VAL 28 N 0.01 1.38 -0.22 0.20 2.07 -0.90 -2.83 116.25 115.96 1yx6 h VAL 28 Ca -0.16 -2.79 -0.11 0.00 0.82 0.00 0.00 66.70 64.46 1yx6 h VAL 28 Cb 1.91 2.90 -0.00 0.00 -1.52 0.00 0.00 31.29 34.58 1yx6 h VAL 28 CO 0.11 0.83 -0.30 0.28 0.02 0.00 0.00 177.57 178.51 1yx6 h SER 29 N 0.15 0.64 -0.23 0.57 0.02 -1.54 -2.44 113.55 110.71 1yx6 h SER 29 Ca -0.18 -0.51 -0.04 0.00 -0.84 0.00 0.00 61.79 60.22 1yx6 h SER 29 Cb 2.01 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 64.35 1yx6 h SER 29 CO 0.23 1.02 0.03 -0.03 -1.14 0.00 0.00 176.83 176.94 1yx6 h MET 30 N 0.27 0.50 -0.32 3.45 -1.53 -1.61 -2.42 114.93 113.27 1yx6 h MET 30 Ca 0.02 -0.09 -0.14 0.00 -3.44 0.00 0.00 59.70 56.05 1yx6 h MET 30 Cb 0.87 -0.08 -0.01 0.00 -0.55 0.00 0.00 31.60 31.84 1yx6 h MET 30 CO 0.07 0.50 -0.38 0.93 0.14 0.00 0.00 176.91 178.17 1yx6 h GLU 31 N 0.48 0.75 -0.21 0.39 5.08 -1.40 -2.54 114.58 117.13 1yx6 h GLU 31 Ca 0.11 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.08 1yx6 h GLU 31 Cb 0.27 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1yx6 h GLU 31 CO 0.00 1.00 0.11 0.93 -1.00 0.00 0.00 179.01 180.05 1yx6 h GLU 32 N 0.62 0.29 -0.84 2.33 5.08 -0.96 0.12 114.58 121.22 1yx6 h GLU 32 Ca 0.05 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1yx6 h GLU 32 Cb 0.92 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1yx6 h GLU 32 CO 0.08 0.30 0.47 1.96 -1.00 0.00 0.00 179.01 180.82 1yx6 h GLN 33 N 0.21 1.17 -0.02 2.33 4.20 -1.45 -2.05 115.11 119.50 1yx6 h GLN 33 Ca 0.07 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 1yx6 h GLN 33 Cb 0.10 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 1yx6 h GLN 33 CO -0.01 0.85 -0.59 -0.09 -0.67 0.00 0.00 178.83 178.32 1yx6 h ARG 34 N 1.18 0.07 -0.74 1.46 9.65 -1.12 -1.54 114.38 123.33 1yx6 h ARG 34 Ca 0.30 -0.05 -0.02 0.00 -1.10 0.00 0.00 59.98 59.11 1yx6 h ARG 34 Cb 0.02 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 1yx6 h ARG 34 CO -0.05 0.64 0.39 0.37 2.80 0.00 0.00 179.97 184.12 1yx6 h GLN 35 N 0.05 1.05 0.21 0.20 5.75 -0.04 0.25 115.11 122.58 1yx6 h GLN 35 Ca -0.01 -0.13 -0.31 0.00 -0.15 0.00 0.00 58.65 58.05 1yx6 h GLN 35 Cb 1.05 -0.20 0.03 0.00 1.07 0.00 0.00 27.48 29.44 1yx6 h GLN 35 CO 0.08 0.79 -1.33 0.00 -2.65 0.00 0.00 178.83 175.73 1yx6 h ARG 36 N 1.03 0.52 0.00 1.69 3.08 -1.42 -2.39 114.38 116.90 1yx6 h ARG 36 Ca 0.26 -0.85 -0.03 0.00 0.07 0.00 0.00 59.98 59.43 1yx6 h ARG 36 Cb 0.07 0.31 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1yx6 h ARG 36 CO -0.04 1.40 -0.15 1.96 -1.07 0.00 0.00 179.97 182.08 1yx6 h GLN 37 N 0.08 0.00 0.00 0.04 1.08 -1.15 -1.79 115.11 113.37 1yx6 h GLN 37 Ca -0.23 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 1yx6 h GLN 37 Cb 2.04 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.47 1yx6 h GLN 37 CO 0.25 0.15 -0.21 1.49 -0.95 0.00 0.00 178.83 179.55 1yx6 h GLU 38 N 0.00 0.00 -0.88 1.46 4.81 -0.53 0.40 114.58 119.84 1yx6 h GLU 38 Ca -0.00 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.46 1yx6 h GLU 38 Cb 0.50 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 1yx6 h GLU 38 CO 0.02 0.07 0.61 0.93 -0.73 0.00 0.00 179.01 179.91 1yx6 h GLU 39 N -1.00 0.15 0.10 1.92 5.08 -1.46 0.40 114.58 119.77 1yx6 h GLU 39 Ca -0.01 -0.01 -0.30 0.00 -1.00 0.00 0.00 59.36 58.05 1yx6 h GLU 39 Cb 0.25 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1yx6 h GLU 39 CO -0.01 0.10 -1.50 1.49 -1.00 0.00 0.00 179.01 178.10 1yx6 h GLU 40 N 0.15 0.22 0.06 2.33 4.81 -1.43 -2.22 114.58 118.50 1yx6 h GLU 40 Ca 0.43 -0.37 -0.00 0.00 -0.13 0.00 0.00 59.36 59.29 1yx6 h GLU 40 Cb 1.47 0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.99 1yx6 h GLU 40 CO -0.07 1.07 -0.03 0.00 -0.73 0.00 0.00 179.01 179.25 1yx6 h ALA 41 N 0.56 -0.08 0.00 2.92 0.00 0.19 -2.78 119.26 120.07 1yx6 h ALA 41 Ca -0.23 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 1yx6 h ALA 41 Cb 2.00 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.80 1yx6 h ALA 41 CO 0.16 -0.44 -0.51 0.07 0.00 0.00 0.00 179.25 178.52 1yx6 h ARG 42 N -0.28 0.00 -0.92 0.00 0.11 -0.72 -2.73 114.38 109.84 1yx6 h ARG 42 Ca -0.01 0.00 0.13 0.00 0.10 0.00 0.00 59.98 60.20 1yx6 h ARG 42 Cb 0.25 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.25 1yx6 h ARG 42 CO 0.01 0.51 0.59 0.00 0.10 0.00 0.00 179.97 181.18 1yx6 h ARG 43 N 0.00 0.78 0.00 0.08 2.47 -1.13 0.17 114.38 116.74 1yx6 h ARG 43 Ca -0.01 -0.05 -0.19 0.00 -1.26 0.00 0.00 59.98 58.48 1yx6 h ARG 43 Cb 0.93 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 29.05 1yx6 h ARG 43 CO 0.07 0.52 -0.89 0.00 0.56 0.00 0.00 179.97 180.23 1yx6 h ALA 44 N 1.58 0.44 0.00 0.04 0.00 -1.26 -2.84 119.26 117.22 1yx6 h ALA 44 Ca 0.45 -0.81 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1yx6 h ALA 44 Cb 0.60 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1yx6 h ALA 44 CO -0.22 1.11 -0.12 0.00 0.00 0.00 0.00 179.25 180.03 1yx6 h ALA 45 N 1.11 1.59 0.16 0.00 0.00 -0.42 -0.36 119.26 121.34 1yx6 h ALA 45 Ca -0.01 -0.11 -0.36 0.00 0.00 0.00 0.00 54.91 54.44 1yx6 h ALA 45 Cb 1.67 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.43 1yx6 h ALA 45 CO 0.12 0.15 -1.86 0.00 0.00 0.00 0.00 179.25 177.65 1yx6 h ALA 46 N 1.88 0.29 0.00 0.00 0.00 -1.26 -2.83 119.26 117.34 1yx6 h ALA 46 Ca -0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 54.91 53.58 1yx6 h ALA 46 Cb 0.24 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1yx6 h ALA 46 CO 0.02 1.16 -0.34 0.00 0.00 0.00 0.00 179.25 180.09 1yx6 h ALA 47 N 0.09 1.40 0.05 0.00 0.00 -1.25 -1.73 119.26 117.82 1yx6 h ALA 47 Ca -0.38 -0.30 -0.27 0.00 0.00 0.00 0.00 54.91 53.95 1yx6 h ALA 47 Cb 2.06 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.77 1yx6 h ALA 47 CO 0.13 0.42 -1.42 0.77 0.00 0.00 0.00 179.25 179.15 1yx6 h SER 48 N 0.00 0.16 0.78 0.00 0.02 -1.19 -3.31 113.55 110.01 1yx6 h SER 48 Ca -0.00 -0.23 -0.12 0.00 -0.84 0.00 0.00 61.79 60.59 1yx6 h SER 48 Cb 0.61 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 1yx6 h SER 48 CO 0.04 1.19 -0.59 0.00 -1.14 0.00 0.00 176.83 176.33 1yx6 h ALA 49 N 0.78 0.88 0.00 3.77 0.00 -1.29 -2.63 119.26 120.78 1yx6 h ALA 49 Ca -0.18 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1yx6 h ALA 49 Cb 1.94 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1yx6 h ALA 49 CO 0.13 0.74 0.00 0.00 0.00 0.00 0.00 179.25 180.12 1yx6 n ALA 50 N -2.36 2.14 -0.11 0.00 0.00 -0.67 -0.11 120.51 119.40 1yx6 n ALA 50 Ca -0.01 -0.08 -0.14 0.00 0.00 0.00 0.00 53.44 53.21 1yx6 n ALA 50 Cb 0.63 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.55 1yx6 n ALA 50 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yx6 n GLU 51 N -1.54 0.71 -0.10 0.00 1.02 -1.09 -4.01 120.64 115.62 1yx6 n GLU 51 Ca 0.06 0.08 -0.12 0.00 -0.02 0.00 0.00 57.16 57.16 1yx6 n GLU 51 Cb 0.30 -1.50 -0.15 0.00 -0.02 0.00 0.00 31.44 30.07 1yx6 n GLU 51 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1yx6 n ALA 52 N -3.03 1.48 0.07 0.62 0.00 -1.01 -4.48 120.51 114.17 1yx6 n ALA 52 Ca -0.39 -1.26 -0.06 0.00 0.00 0.00 0.00 53.44 51.73 1yx6 n ALA 52 Cb 1.03 -0.19 -0.04 0.00 0.00 0.00 0.00 19.45 20.25 1yx6 n ALA 52 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1yx6 h GLY 53 N 3.49 -0.30 -6.06 0.00 0.00 -0.72 -3.36 103.07 96.12 1yx6 h GLY 53 Ca -0.55 0.11 -0.73 0.00 0.00 0.00 0.00 47.33 46.17 1yx6 h GLY 53 CO 0.00 -0.11 2.77 1.39 0.00 0.00 0.00 176.54 180.59 1yx6 n ILE 54 N -4.96 3.93 -2.03 2.60 2.08 -1.15 -4.07 119.36 115.75 1yx6 n ILE 54 Ca -0.05 -3.54 -0.03 0.00 0.56 0.00 0.00 62.75 59.70 1yx6 n ILE 54 Cb 0.16 -2.49 -0.00 0.00 -0.75 0.00 0.00 39.64 36.55 1yx6 n ILE 54 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1yx6 n ALA 55 N 4.88 1.19 -3.41 -1.39 0.00 -1.26 -4.76 120.51 115.77 1yx6 n ALA 55 Ca 0.50 -0.43 -0.27 0.00 0.00 0.00 0.00 53.44 53.23 1yx6 n ALA 55 Cb 0.36 -0.42 -0.10 0.00 0.00 0.00 0.00 19.45 19.29 1yx6 n ALA 55 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1yx6 s THR 56 N 0.02 0.31 -1.08 0.00 -4.23 -1.26 -5.03 115.64 104.38 1yx6 s THR 56 Ca 0.02 -2.49 -0.05 0.00 -1.18 0.00 0.00 61.69 57.99 1yx6 s THR 56 Cb 0.08 -1.23 0.30 0.00 1.34 0.00 0.00 72.50 72.99 1yx6 s THR 56 CO -0.02 -1.19 1.42 0.35 -0.54 0.00 0.00 174.62 174.63 1yx6 n THR 57 N 3.05 5.19 -2.03 3.99 -2.24 -1.26 -4.48 114.28 116.50 1yx6 n THR 57 Ca 0.27 -5.85 -0.06 0.00 -2.27 0.00 0.00 64.05 56.14 1yx6 n THR 57 Cb 0.46 -2.15 -0.04 0.00 -2.10 0.00 0.00 70.33 66.50 1yx6 n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yx6 n GLY 58 N 1.50 0.54 2.80 3.38 0.00 -1.26 -5.08 105.19 107.07 1yx6 n GLY 58 Ca 0.26 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 1yx6 n GLY 58 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yx6 s THR 59 N 0.01 1.14 -1.37 2.61 2.01 -1.26 -5.04 115.64 113.75 1yx6 s THR 59 Ca 0.01 -1.51 -0.14 0.00 0.31 0.00 0.00 61.69 60.35 1yx6 s THR 59 Cb 0.05 -1.82 0.08 0.00 0.01 0.00 0.00 72.50 70.81 1yx6 s THR 59 CO -0.01 -0.61 1.98 1.21 -0.69 0.00 0.00 174.62 176.50 1yx6 n GLU 60 N 4.74 3.11 0.31 4.92 2.13 -1.26 -4.76 120.64 129.84 1yx6 n GLU 60 Ca -0.02 -3.03 -0.14 0.00 0.66 0.00 0.00 57.16 54.62 1yx6 n GLU 60 Cb 0.42 -3.27 -0.07 0.00 0.27 0.00 0.00 31.44 28.80 1yx6 n GLU 60 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 1yx6 h ASP 61 N 6.46 -0.70 -3.14 4.31 3.58 -2.04 -3.41 116.42 121.49 1yx6 h ASP 61 Ca 0.49 -0.02 -0.58 0.00 0.42 0.00 0.00 57.03 57.34 1yx6 h ASP 61 Cb 0.72 0.18 -0.40 0.00 1.72 0.00 0.00 39.33 41.55 1yx6 h ASP 61 CO 1.68 -0.33 -0.76 -0.44 -2.88 0.00 0.00 179.24 176.51 1yx6 s SER 62 N -4.60 3.79 0.38 2.28 0.01 -1.26 -4.98 113.70 109.32 1yx6 s SER 62 Ca -0.14 -1.89 0.07 0.00 1.31 0.00 0.00 55.95 55.30 1yx6 s SER 62 Cb 0.02 -0.81 0.74 0.00 0.21 0.00 0.00 66.02 66.18 1yx6 s SER 62 CO 0.45 -0.37 1.94 -0.78 0.41 0.00 0.00 173.24 174.89 1yx6 h ASP 63 N 7.70 0.40 0.98 2.44 3.58 -1.97 -1.66 116.42 127.88 1yx6 h ASP 63 Ca -0.09 -0.06 -0.13 0.00 0.42 0.00 0.00 57.03 57.17 1yx6 h ASP 63 Cb 0.99 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 41.92 1yx6 h ASP 63 CO 0.45 0.44 -0.61 0.44 -2.88 0.00 0.00 179.24 177.07 1yx6 h ASP 64 N 0.43 0.00 -0.55 2.28 3.32 -1.99 -2.91 116.42 117.00 1yx6 h ASP 64 Ca 0.10 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.13 1yx6 h ASP 64 Cb 0.23 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1yx6 h ASP 64 CO 0.00 0.61 0.26 0.00 -1.72 0.00 0.00 179.24 178.39 1yx6 h ALA 65 N 1.39 0.71 -0.05 3.45 0.00 -1.71 0.43 119.26 123.48 1yx6 h ALA 65 Ca -0.01 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 1yx6 h ALA 65 Cb 1.27 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1yx6 h ALA 65 CO 0.08 0.28 -0.25 -0.07 0.00 0.00 0.00 179.25 179.29 1yx6 h LEU 66 N 0.74 0.08 -0.13 0.00 4.07 -1.45 0.69 115.31 119.31 1yx6 h LEU 66 Ca 0.19 -0.02 -0.16 0.00 0.08 0.00 0.00 57.88 57.97 1yx6 h LEU 66 Cb 0.13 -0.02 0.01 0.00 1.08 0.00 0.00 40.66 41.86 1yx6 h LEU 66 CO -0.02 0.33 -0.55 0.25 -1.08 0.00 0.00 178.44 177.37 1yx6 h LEU 67 N 0.07 0.71 0.06 1.67 7.12 -1.03 -2.57 115.31 121.34 1yx6 h LEU 67 Ca 0.01 -0.63 -0.00 0.00 0.13 0.00 0.00 57.88 57.39 1yx6 h LEU 67 Cb 0.49 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.41 1yx6 h LEU 67 CO 0.03 1.21 -0.03 0.11 -0.13 0.00 0.00 178.44 179.64 1yx6 h LYS 68 N 0.24 -0.08 -0.95 1.25 1.79 0.21 -2.90 116.57 116.14 1yx6 h LYS 68 Ca -0.03 0.01 0.20 0.00 -2.18 0.00 0.00 60.65 58.64 1yx6 h LYS 68 Cb 1.18 0.02 -0.11 0.00 -1.58 0.00 0.00 32.23 31.74 1yx6 h LYS 68 CO 0.11 0.21 0.53 1.98 -1.08 0.00 0.00 179.45 181.20 1yx6 h MET 69 N -1.00 0.62 -0.31 3.15 4.05 0.24 1.30 114.93 122.98 1yx6 h MET 69 Ca -0.01 -0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.31 1yx6 h MET 69 Cb 0.32 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1yx6 h MET 69 CO 0.01 0.41 -0.05 1.15 0.23 0.00 0.00 176.91 178.66 1yx6 h THR 70 N 0.63 1.27 0.00 -0.77 2.02 -1.57 -2.83 112.91 111.67 1yx6 h THR 70 Ca 0.56 -1.07 0.00 0.00 0.77 0.00 0.00 66.41 66.67 1yx6 h THR 70 Cb 0.93 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 68.68 1yx6 h THR 70 CO -0.42 0.34 -0.25 0.00 0.37 0.00 0.00 175.52 175.56 1yx6 n ILE 71 N -4.49 0.06 0.01 3.11 0.13 -0.44 -2.61 119.36 115.13 1yx6 n ILE 71 Ca -0.03 -0.04 -0.17 0.00 -1.10 0.00 0.00 62.75 61.41 1yx6 n ILE 71 Cb 0.31 -0.17 -0.12 0.00 -0.84 0.00 0.00 39.64 38.81 1yx6 n ILE 71 CO 0.00 0.00 0.00 0.28 2.80 0.00 0.00 176.55 179.63 1yx6 h SER 72 N 0.00 0.44 0.91 9.51 0.02 0.18 -1.39 113.55 123.22 1yx6 h SER 72 Ca 0.00 -0.81 -0.22 0.00 -0.84 0.00 0.00 61.79 59.92 1yx6 h SER 72 Cb 0.53 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 1yx6 h SER 72 CO 0.00 1.20 -1.14 1.56 -1.14 0.00 0.00 176.83 177.31 1yx6 h GLN 73 N -0.27 0.00 0.01 3.45 1.08 -1.61 -2.85 115.11 114.92 1yx6 h GLN 73 Ca -0.08 0.00 -0.27 0.00 -1.45 0.00 0.00 58.65 56.85 1yx6 h GLN 73 Cb 1.32 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.77 1yx6 h GLN 73 CO 0.11 0.81 -1.07 0.37 -0.95 0.00 0.00 178.83 178.10 1yx6 h GLN 74 N 0.00 0.69 0.38 1.46 4.15 -1.60 -3.34 115.11 116.84 1yx6 h GLN 74 Ca -0.08 -0.76 -0.02 0.00 0.77 0.00 0.00 58.65 58.56 1yx6 h GLN 74 Cb 1.79 0.22 0.00 0.00 0.21 0.00 0.00 27.48 29.70 1yx6 h GLN 74 CO 0.11 1.33 -0.18 1.49 -1.93 0.00 0.00 178.83 179.65 1yx6 h GLU 75 N 0.38 -0.49 -5.92 1.69 4.81 -1.35 -3.49 114.58 110.22 1yx6 h GLU 75 Ca -0.14 0.03 -0.20 0.00 -0.13 0.00 0.00 59.36 58.93 1yx6 h GLU 75 Cb 1.72 0.11 0.01 0.00 0.63 0.00 0.00 28.75 31.22 1yx6 h GLU 75 CO 0.21 -0.20 -0.71 0.34 -0.73 0.00 0.00 179.01 177.92 1yx6 n PHE 76 N -5.13 -2.92 0.00 0.92 -0.00 -1.07 -4.93 117.46 104.32 1yx6 n PHE 76 Ca -0.08 1.18 0.00 0.00 -0.00 0.00 0.00 57.45 58.55 1yx6 n PHE 76 Cb 0.27 -3.20 0.00 0.00 -0.00 0.00 0.00 39.48 36.54 1yx6 n PHE 76 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1yx6 n GLY 77 N -0.78 -3.07 3.59 7.13 0.00 -1.26 -4.28 105.19 106.52 1yx6 n GLY 77 Ca -0.04 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1yx6 n GLY 77 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yx6 s ARG 78 N -1.13 3.39 0.00 1.61 3.00 -1.26 -4.71 118.95 119.85 1yx6 s ARG 78 Ca 0.00 0.87 0.05 0.00 -1.00 0.00 0.00 55.73 55.65 1yx6 s ARG 78 Cb 0.00 -4.11 0.08 0.00 0.00 0.00 0.00 34.95 30.92 1yx6 s ARG 78 CO 0.00 -1.80 0.88 2.41 0.00 0.00 0.00 175.30 176.78 1yx6 n THR 79 N 7.10 0.00 -0.72 4.11 -1.04 -1.26 -4.90 114.28 117.57 1yx6 n THR 79 Ca 0.17 -0.18 0.01 0.00 -2.04 0.00 0.00 64.05 62.01 1yx6 n THR 79 Cb 0.48 0.43 0.32 0.00 -1.82 0.00 0.00 70.33 69.75 1yx6 n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yx6 n GLY 80 N 0.09 3.07 3.58 3.41 0.00 -1.26 -4.89 105.19 109.19 1yx6 n GLY 80 Ca -0.09 -0.84 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 1yx6 n GLY 80 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yx6 s LEU 81 N -2.51 -0.71 0.00 0.99 1.02 -1.26 -5.02 118.68 111.20 1yx6 s LEU 81 Ca 0.48 1.11 0.00 0.00 0.02 0.00 0.00 54.13 55.74 1yx6 s LEU 81 Cb 0.38 2.50 0.00 0.00 0.02 0.00 0.00 46.19 49.09 1yx6 s LEU 81 CO 0.13 -0.42 1.59 -0.81 0.02 0.00 0.00 176.35 176.87 1yx6 n PRO 82 N 1.86 0.82 -2.91 1.29 -0.04 -1.26 -4.82 135.00 129.93 1yx6 n PRO 82 Ca -0.16 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.29 1yx6 n PRO 82 Cb 0.56 -1.09 -0.01 0.00 -0.04 0.00 0.00 33.50 32.92 1yx6 n PRO 82 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1yx6 n ASP 83 N 1.53 -6.65 0.12 3.54 9.92 -1.26 -4.68 116.55 119.07 1yx6 n ASP 83 Ca 0.00 1.01 0.05 0.00 -0.53 0.00 0.00 54.79 55.32 1yx6 n ASP 83 Cb 0.41 -3.61 0.49 0.00 -0.64 0.00 0.00 41.12 37.77 1yx6 n ASP 83 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1yx6 h LEU 84 N 3.55 0.26 -2.52 0.64 5.85 -1.92 -1.08 115.31 120.09 1yx6 h LEU 84 Ca -0.06 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.64 1yx6 h LEU 84 Cb 0.51 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.48 1yx6 h LEU 84 CO 0.04 0.23 -0.02 0.77 -0.34 0.00 0.00 178.44 179.13 1yx6 h SER 85 N 0.29 0.00 1.16 1.25 4.64 -2.01 -0.98 113.55 117.90 1yx6 h SER 85 Ca 0.08 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.23 1yx6 h SER 85 Cb 0.05 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.12 1yx6 h SER 85 CO -0.01 0.02 -0.85 -1.28 -0.87 0.00 0.00 176.83 173.83 1yx6 h SER 86 N 0.00 0.00 -3.42 4.97 0.87 -1.47 -3.43 113.55 111.08 1yx6 h SER 86 Ca -0.00 0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.96 1yx6 h SER 86 Cb 0.05 0.00 -0.11 0.00 -0.44 0.00 0.00 62.40 61.91 1yx6 h SER 86 CO 0.00 0.78 0.26 -0.04 -0.53 0.00 0.00 176.83 177.30 1yx6 s MET 87 N -2.82 4.12 0.00 2.24 1.00 -0.37 -5.01 119.30 118.46 1yx6 s MET 87 Ca 0.02 0.66 0.00 0.00 0.00 0.00 0.00 55.69 56.37 1yx6 s MET 87 Cb 0.09 -3.65 0.00 0.00 0.00 0.00 0.00 34.83 31.26 1yx6 s MET 87 CO 0.79 -0.46 0.00 0.25 0.00 0.00 0.00 175.02 175.60 1yx6 n THR 88 N 5.23 0.00 0.14 2.05 -2.24 -1.26 -4.40 114.28 113.80 1yx6 n THR 88 Ca 0.01 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.80 1yx6 n THR 88 Cb 0.48 -1.84 0.32 0.00 -2.10 0.00 0.00 70.33 67.19 1yx6 n THR 88 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 1yx6 h GLU 89 N 0.00 0.13 0.18 -0.78 4.11 -1.97 0.31 114.58 116.57 1yx6 h GLU 89 Ca 0.00 -0.05 -0.35 0.00 0.07 0.00 0.00 59.36 59.03 1yx6 h GLU 89 Cb 0.00 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1yx6 h GLU 89 CO 0.00 0.46 -1.73 0.93 0.07 0.00 0.00 179.01 178.74 1yx6 h GLU 90 N 0.12 0.39 -0.38 1.06 5.08 -1.97 -1.41 114.58 117.47 1yx6 h GLU 90 Ca 0.01 -0.67 -0.02 0.00 -1.00 0.00 0.00 59.36 57.68 1yx6 h GLU 90 Cb 0.65 0.25 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1yx6 h GLU 90 CO 0.05 1.32 0.14 1.49 -1.00 0.00 0.00 179.01 181.01 1yx6 h GLU 91 N 0.08 0.58 -0.22 2.33 4.57 -1.84 0.18 114.58 120.25 1yx6 h GLU 91 Ca -0.34 -0.11 -0.09 0.00 -1.18 0.00 0.00 59.36 57.64 1yx6 h GLU 91 Cb 2.08 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 30.57 1yx6 h GLU 91 CO 0.17 0.56 -0.25 1.96 -1.18 0.00 0.00 179.01 180.27 1yx6 h GLN 92 N 0.47 0.41 -0.93 1.92 4.20 -0.49 -2.00 115.11 118.69 1yx6 h GLN 92 Ca 0.13 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1yx6 h GLN 92 Cb 0.21 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 1yx6 h GLN 92 CO -0.01 0.63 0.55 0.82 -0.67 0.00 0.00 178.83 180.15 1yx6 h ILE 93 N 0.36 1.26 -0.09 2.54 2.04 -0.21 0.27 117.51 123.68 1yx6 h ILE 93 Ca 0.05 -0.58 0.01 0.00 1.00 0.00 0.00 64.86 65.35 1yx6 h ILE 93 Cb 0.64 -0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1yx6 h ILE 93 CO 0.05 0.27 0.06 0.00 0.00 0.00 0.00 178.15 178.53 1yx6 h ALA 94 N 1.32 2.01 -0.57 1.87 0.00 0.07 0.33 119.26 124.30 1yx6 h ALA 94 Ca 0.33 -0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 1yx6 h ALA 94 Cb -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1yx6 h ALA 94 CO -0.06 -0.03 -0.03 -0.92 0.00 0.00 0.00 179.25 178.21 1yx6 h TYR 95 N 0.06 1.11 0.06 0.00 3.20 -0.72 0.37 116.97 121.04 1yx6 h TYR 95 Ca 0.04 -0.20 -0.26 0.00 3.14 0.00 0.00 58.73 61.45 1yx6 h TYR 95 Cb 0.08 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.05 1yx6 h TYR 95 CO -0.00 1.00 -1.28 0.00 -1.64 0.00 0.00 178.16 176.23 1yx6 h ALA 96 N 1.03 0.32 0.00 1.82 0.00 -0.79 -2.59 119.26 119.05 1yx6 h ALA 96 Ca 0.16 -1.03 -0.12 0.00 0.00 0.00 0.00 54.91 53.92 1yx6 h ALA 96 Cb 0.58 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1yx6 h ALA 96 CO 0.03 1.20 -0.58 0.52 0.00 0.00 0.00 179.25 180.43 1yx6 h MET 97 N 0.03 0.00 0.15 0.00 2.86 -0.31 -2.15 114.93 115.52 1yx6 h MET 97 Ca -0.13 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.31 1yx6 h MET 97 Cb 1.91 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.59 1yx6 h MET 97 CO 0.15 0.58 -0.89 0.37 1.06 0.00 0.00 176.91 178.18 1yx6 h GLN 98 N 0.00 0.32 0.00 1.72 4.15 -0.32 -2.67 115.11 118.31 1yx6 h GLN 98 Ca -0.01 -0.55 0.00 0.00 0.77 0.00 0.00 58.65 58.87 1yx6 h GLN 98 Cb 1.37 0.20 0.00 0.00 0.21 0.00 0.00 27.48 29.26 1yx6 h GLN 98 CO 0.08 1.26 0.00 -1.33 -1.93 0.00 0.00 178.83 176.91 1yx6 n MET 99 N -4.08 0.01 0.00 1.69 2.81 -0.98 -3.22 117.12 113.35 1yx6 n MET 99 Ca -0.14 0.05 0.09 0.00 -1.81 0.00 0.00 57.70 55.88 1yx6 n MET 99 Cb 0.85 -1.52 -0.14 0.00 -0.71 0.00 0.00 33.22 31.71 1yx6 n MET 99 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1yx6 n SER 100 N -1.54 0.19 -1.13 7.83 2.88 -0.81 -4.13 113.62 116.92 1yx6 n SER 100 Ca 0.06 0.08 0.05 0.00 -1.33 0.00 0.00 58.87 57.73 1yx6 n SER 100 Cb 0.32 1.55 0.22 0.00 -0.75 0.00 0.00 64.21 65.54 1yx6 n SER 100 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1yx6 n LEU 101 N -2.41 3.24 -0.07 2.46 7.94 -1.01 -4.04 117.00 123.11 1yx6 n LEU 101 Ca -0.06 -1.64 -0.17 0.00 -1.11 0.00 0.00 56.01 53.03 1yx6 n LEU 101 Cb 0.63 -0.50 -0.13 0.00 0.53 0.00 0.00 43.42 43.95 1yx6 n LEU 101 CO 0.45 0.51 -1.06 1.67 -1.11 0.00 0.00 177.39 177.84 1yx6 n GLN 102 N 0.50 0.69 0.04 1.96 7.27 -1.25 -4.30 117.38 122.30 1yx6 n GLN 102 Ca 0.15 0.18 -0.06 0.00 0.07 0.00 0.00 57.00 57.34 1yx6 n GLN 102 Cb 0.65 -1.61 0.12 0.00 2.41 0.00 0.00 30.24 31.81 1yx6 n GLN 102 CO 0.00 0.00 0.00 0.78 0.07 0.00 0.00 177.06 177.91 1yx6 h GLY 103 N 2.19 0.43 -7.78 1.69 0.00 -1.82 -3.36 103.07 94.42 1yx6 h GLY 103 Ca -0.49 -0.48 -0.79 0.00 0.00 0.00 0.00 47.33 45.57 1yx6 h GLY 103 CO 0.00 0.43 0.18 0.00 0.00 0.00 0.00 176.54 177.15 1yx6 s ALA 104 N -4.01 4.16 -0.91 3.60 0.00 -1.26 -4.95 121.76 118.38 1yx6 s ALA 104 Ca -0.06 -3.38 -0.14 0.00 0.00 0.00 0.00 51.96 48.38 1yx6 s ALA 104 Cb 0.12 -3.55 -0.09 0.00 0.00 0.00 0.00 23.12 19.60 1yx6 s ALA 104 CO 0.81 -2.30 2.06 0.39 0.00 0.00 0.00 175.76 176.72 1yx6 n GLU 105 N 3.88 1.92 -3.15 0.00 -0.58 -1.26 -4.63 120.64 116.83 1yx6 n GLU 105 Ca 0.16 -1.74 0.05 0.00 -0.42 0.00 0.00 57.16 55.21 1yx6 n GLU 105 Cb 0.46 -2.74 -0.01 0.00 -0.57 0.00 0.00 31.44 28.58 1yx6 n GLU 105 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1yx6 s PHE 106 N 4.08 -0.97 -0.10 -0.32 2.19 -1.26 -5.16 117.98 116.45 1yx6 s PHE 106 Ca 0.49 0.90 -0.05 0.00 0.33 0.00 0.00 56.93 58.59 1yx6 s PHE 106 Cb 0.13 0.29 0.04 0.00 -1.31 0.00 0.00 43.02 42.17 1yx6 s PHE 106 CO 0.03 -0.54 0.23 0.20 1.83 0.00 0.00 175.22 176.97 1yx6 s GLY 107 N 2.91 -0.14 -0.58 13.12 0.00 -1.26 -5.09 107.32 116.29 1yx6 s GLY 107 Ca 0.11 0.93 0.05 0.00 0.00 0.00 0.00 44.72 45.81 1yx6 s GLY 107 CO -0.17 1.15 0.52 -1.06 0.00 0.00 0.00 173.10 173.55 1yx6 n GLN 108 N 4.08 1.47 -2.06 2.90 6.02 -1.26 -4.90 117.38 123.63 1yx6 n GLN 108 Ca -0.24 -4.06 -0.14 0.00 -0.01 0.00 0.00 57.00 52.56 1yx6 n GLN 108 Cb 0.53 -1.99 0.05 0.00 1.02 0.00 0.00 30.24 29.85 1yx6 n GLN 108 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1yx6 n ALA 109 N 1.81 4.17 -3.69 -1.58 0.00 -1.26 -4.97 120.51 114.99 1yx6 n ALA 109 Ca 0.25 -3.43 -0.26 0.00 0.00 0.00 0.00 53.44 50.00 1yx6 n ALA 109 Cb 0.42 -0.48 0.03 0.00 0.00 0.00 0.00 19.45 19.42 1yx6 n ALA 109 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1yx6 n GLU 110 N -0.67 -2.79 -3.01 0.00 1.02 -1.26 -4.98 120.64 108.94 1yx6 n GLU 110 Ca 0.31 0.54 -0.19 0.00 -0.02 0.00 0.00 57.16 57.80 1yx6 n GLU 110 Cb 0.91 -4.67 0.04 0.00 -0.02 0.00 0.00 31.44 27.70 1yx6 n GLU 110 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1yx6 s SER 111 N -3.89 5.30 0.00 1.62 0.15 -1.26 -5.31 113.70 110.31 1yx6 s SER 111 Ca 0.25 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.24 1yx6 s SER 111 Cb -0.08 -0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.13 1yx6 s SER 111 CO 0.84 -1.13 0.00 0.00 1.20 0.00 0.00 173.24 174.15