#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 0.29 -0.63 1.57 0.00 -1.26 -5.04 117.12 112.05 1yx6 n MET 2 Ca 0.00 -0.56 0.01 0.00 0.00 0.00 0.00 57.70 57.15 1yx6 n MET 2 Cb 0.00 0.71 0.22 0.00 0.00 0.00 0.00 33.22 34.15 1yx6 n MET 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1yx6 n LEU 3 N 0.00 3.92 -3.86 -0.89 7.99 -1.26 -4.85 117.00 118.05 1yx6 n LEU 3 Ca -0.02 -3.47 -0.42 0.00 -0.01 0.00 0.00 56.01 52.09 1yx6 n LEU 3 Cb 0.16 -0.59 0.00 0.00 -0.11 0.00 0.00 43.42 42.88 1yx6 n LEU 3 CO 0.07 1.02 2.18 0.61 -1.51 0.00 0.00 177.39 179.76 1yx6 n GLY 4 N -0.94 4.52 2.91 -0.72 0.00 -1.26 -4.86 105.19 104.84 1yx6 n GLY 4 Ca 0.28 -1.90 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 1yx6 n GLY 4 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yx6 s LEU 5 N 0.86 3.93 0.00 0.99 1.43 -1.26 -4.99 118.68 119.64 1yx6 s LEU 5 Ca 0.43 -2.41 0.00 0.00 -1.03 0.00 0.00 54.13 51.12 1yx6 s LEU 5 Cb 0.10 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.90 1yx6 s LEU 5 CO -0.03 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.84 1yx6 n GLY 6 N 3.89 1.31 2.58 -3.19 0.00 -1.26 -5.08 105.19 103.44 1yx6 n GLY 6 Ca 0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 1yx6 n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx6 n ALA 7 N -3.00 0.67 -2.12 4.61 0.00 -1.26 -4.97 120.51 114.44 1yx6 n ALA 7 Ca 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 53.44 52.50 1yx6 n ALA 7 Cb 0.00 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.52 1yx6 n ALA 7 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1yx6 n SER 8 N -0.78 -0.01 -0.00 0.00 7.64 -1.26 -4.88 113.62 114.34 1yx6 n SER 8 Ca -0.11 -1.75 0.04 0.00 1.01 0.00 0.00 58.87 58.06 1yx6 n SER 8 Cb 0.79 -0.05 -0.05 0.00 -1.01 0.00 0.00 64.21 63.89 1yx6 n SER 8 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1yx6 n ASP 9 N 0.12 0.52 -1.96 6.43 5.75 -1.26 -4.63 116.55 121.52 1yx6 n ASP 9 Ca -0.06 -0.66 -0.04 0.00 -0.01 0.00 0.00 54.79 54.02 1yx6 n ASP 9 Cb 0.76 1.02 0.06 0.00 -1.03 0.00 0.00 41.12 41.93 1yx6 n ASP 9 CO 0.00 0.00 0.00 2.22 -0.11 0.00 0.00 177.20 179.31 1yx6 n PHE 10 N -1.22 1.15 -1.85 2.11 -1.74 -1.26 -4.78 117.46 109.87 1yx6 n PHE 10 Ca 0.01 -1.69 -0.18 0.00 -0.56 0.00 0.00 57.45 55.04 1yx6 n PHE 10 Cb 0.13 -0.24 0.07 0.00 1.52 0.00 0.00 39.48 40.96 1yx6 n PHE 10 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 1yx6 n GLU 11 N -0.46 3.05 0.00 3.97 4.07 -1.26 -4.63 120.64 125.37 1yx6 n GLU 11 Ca 0.18 -3.88 0.00 0.00 -0.06 0.00 0.00 57.16 53.41 1yx6 n GLU 11 Cb 0.90 -2.13 0.00 0.00 -0.06 0.00 0.00 31.44 30.16 1yx6 n GLU 11 CO 0.00 0.00 0.00 1.97 -0.06 0.00 0.00 177.13 179.04 1yx6 n PHE 12 N -0.83 0.00 -1.57 4.31 -1.74 -1.26 -4.84 117.46 111.53 1yx6 n PHE 12 Ca 0.40 0.00 -0.28 0.00 -0.56 0.00 0.00 57.45 57.01 1yx6 n PHE 12 Cb 0.90 0.00 0.08 0.00 1.52 0.00 0.00 39.48 41.98 1yx6 n PHE 12 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1yx6 n GLY 13 N -0.80 5.88 0.04 4.97 0.00 -1.26 -4.52 105.19 109.49 1yx6 n GLY 13 Ca 0.00 -2.25 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.88 0.00 -3.57 1.61 0.24 -1.26 -5.05 118.33 109.42 1yx6 n VAL 14 Ca 0.54 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.72 1yx6 n VAL 14 Cb 0.86 -0.29 -0.05 0.00 -1.47 0.00 0.00 33.84 32.88 1yx6 n VAL 14 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1yx6 s ASP 15 N -3.59 -0.42 0.25 -1.34 1.01 -1.26 -5.02 116.67 106.30 1yx6 s ASP 15 Ca 0.00 0.49 0.24 0.00 0.71 0.00 0.00 52.55 53.99 1yx6 s ASP 15 Cb 0.00 0.38 0.96 0.00 1.01 0.00 0.00 42.92 45.27 1yx6 s ASP 15 CO 0.00 -0.37 1.73 -0.81 0.21 0.00 0.00 175.17 175.92 1yx6 n PRO 16 N 0.86 0.21 0.00 8.23 -0.04 -1.26 -2.63 135.00 140.37 1yx6 n PRO 16 Ca -0.12 0.39 0.11 0.00 -0.04 0.00 0.00 63.50 63.84 1yx6 n PRO 16 Cb 0.58 -1.86 0.60 0.00 -0.04 0.00 0.00 33.50 32.77 1yx6 n PRO 16 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1yx6 n SER 17 N -2.25 0.00 -1.07 3.54 3.41 -1.26 -2.62 113.62 113.38 1yx6 n SER 17 Ca 0.03 -0.21 0.11 0.00 -0.26 0.00 0.00 58.87 58.53 1yx6 n SER 17 Cb 0.26 -0.21 0.21 0.00 -0.26 0.00 0.00 64.21 64.21 1yx6 n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yx6 n ALA 18 N -1.21 2.39 -3.35 7.33 0.00 -1.08 -4.87 120.51 119.72 1yx6 n ALA 18 Ca 0.12 -1.03 0.02 0.00 0.00 0.00 0.00 53.44 52.56 1yx6 n ALA 18 Cb 0.15 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 1yx6 n ALA 18 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yx6 s ASP 19 N -1.30 -1.02 0.25 0.00 1.01 -1.08 -4.85 116.67 109.67 1yx6 s ASP 19 Ca 0.36 0.98 0.23 0.00 0.71 0.00 0.00 52.55 54.84 1yx6 s ASP 19 Cb 0.21 1.99 0.96 0.00 1.01 0.00 0.00 42.92 47.09 1yx6 s ASP 19 CO 0.29 -0.19 1.70 -0.81 0.21 0.00 0.00 175.17 176.36 1yx6 n PRO 20 N 5.35 0.19 0.14 8.23 -0.04 -1.26 -2.27 135.00 145.33 1yx6 n PRO 20 Ca -0.07 0.41 -0.01 0.00 -0.04 0.00 0.00 63.50 63.80 1yx6 n PRO 20 Cb 0.51 -1.85 0.16 0.00 -0.04 0.00 0.00 33.50 32.27 1yx6 n PRO 20 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1yx6 h GLU 21 N 0.00 0.00 0.00 0.54 4.81 -1.94 -1.58 114.58 116.41 1yx6 h GLU 21 Ca 0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1yx6 h GLU 21 Cb 0.37 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.70 1yx6 h GLU 21 CO 0.00 0.62 -1.61 1.28 -0.73 0.00 0.00 179.01 178.57 1yx6 n LEU 22 N -3.66 0.86 -0.01 1.64 7.99 -0.96 -2.54 117.00 120.31 1yx6 n LEU 22 Ca -0.01 0.40 -0.17 0.00 -0.01 0.00 0.00 56.01 56.22 1yx6 n LEU 22 Cb 0.64 0.14 -0.09 0.00 -0.11 0.00 0.00 43.42 44.00 1yx6 n LEU 22 CO 0.42 0.30 0.27 0.00 -1.51 0.00 0.00 177.39 176.87 1yx6 h ALA 23 N 1.16 0.19 0.04 -1.18 0.00 -1.44 -2.66 119.26 115.36 1yx6 h ALA 23 Ca -0.24 -0.57 -0.23 0.00 0.00 0.00 0.00 54.91 53.86 1yx6 h ALA 23 Cb 1.86 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 1yx6 h ALA 23 CO 0.07 0.51 -1.02 1.25 0.00 0.00 0.00 179.25 180.05 1yx6 h LEU 24 N 0.24 0.40 -1.22 0.00 5.85 -1.44 -2.66 115.31 116.46 1yx6 h LEU 24 Ca -0.06 -0.36 -0.05 0.00 0.84 0.00 0.00 57.88 58.25 1yx6 h LEU 24 Cb 1.34 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.23 1yx6 h LEU 24 CO 0.14 1.20 0.02 0.00 -0.34 0.00 0.00 178.44 179.46 1yx6 h ALA 25 N 0.77 1.37 0.00 1.25 0.00 -1.55 -1.18 119.26 119.92 1yx6 h ALA 25 Ca -0.08 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1yx6 h ALA 25 Cb 1.69 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1yx6 h ALA 25 CO 0.17 0.44 -0.32 -0.07 0.00 0.00 0.00 179.25 179.47 1yx6 h LEU 26 N 0.54 0.00 0.00 0.00 3.38 -1.47 -2.82 115.31 114.93 1yx6 h LEU 26 Ca 0.12 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.88 1yx6 h LEU 26 Cb 0.31 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1yx6 h LEU 26 CO 0.01 0.15 -0.99 0.03 0.09 0.00 0.00 178.44 177.73 1yx6 h ARG 27 N 0.00 0.00 0.00 1.13 3.08 -1.02 -2.79 114.38 114.79 1yx6 h ARG 27 Ca -0.01 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 59.85 1yx6 h ARG 27 Cb 1.12 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.14 1yx6 h ARG 27 CO 0.02 0.93 -0.96 0.28 -1.07 0.00 0.00 179.97 179.17 1yx6 h VAL 28 N 0.00 1.35 -0.03 2.04 2.07 -1.26 -2.84 116.25 117.57 1yx6 h VAL 28 Ca -0.02 -2.97 -0.20 0.00 0.82 0.00 0.00 66.70 64.33 1yx6 h VAL 28 Cb 1.75 2.66 0.01 0.00 -1.52 0.00 0.00 31.29 34.19 1yx6 h VAL 28 CO 0.12 0.77 -0.75 0.28 0.02 0.00 0.00 177.57 178.01 1yx6 h SER 29 N 0.00 0.71 0.37 0.57 0.02 -1.54 -2.29 113.55 111.39 1yx6 h SER 29 Ca -0.04 -0.72 -0.12 0.00 -0.84 0.00 0.00 61.79 60.06 1yx6 h SER 29 Cb 1.69 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 64.00 1yx6 h SER 29 CO 0.10 1.34 -0.50 0.24 -1.14 0.00 0.00 176.83 176.87 1yx6 h MET 30 N 0.15 0.15 -0.17 3.45 2.07 -1.59 -2.71 114.93 116.28 1yx6 h MET 30 Ca -0.09 -0.09 -0.20 0.00 -2.07 0.00 0.00 59.70 57.26 1yx6 h MET 30 Cb 1.43 0.01 0.01 0.00 -1.87 0.00 0.00 31.60 31.17 1yx6 h MET 30 CO 0.15 0.62 -0.68 0.93 1.07 0.00 0.00 176.91 179.00 1yx6 h GLU 31 N 0.12 0.76 -0.66 1.72 5.08 -1.52 -2.80 114.58 117.29 1yx6 h GLU 31 Ca 0.00 -0.59 -0.03 0.00 -1.00 0.00 0.00 59.36 57.74 1yx6 h GLU 31 Cb 0.93 0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.26 1yx6 h GLU 31 CO 0.07 1.21 0.28 0.93 -1.00 0.00 0.00 179.01 180.50 1yx6 h GLU 32 N 0.49 0.98 -0.40 2.33 5.08 -1.34 -2.46 114.58 119.26 1yx6 h GLU 32 Ca -0.04 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1yx6 h GLU 32 Cb 1.30 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 1yx6 h GLU 32 CO 0.14 0.81 0.03 1.96 -1.00 0.00 0.00 179.01 180.95 1yx6 h GLN 33 N 0.93 0.63 -0.20 2.33 4.20 -1.50 -2.70 115.11 118.79 1yx6 h GLN 33 Ca 0.22 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 1yx6 h GLN 33 Cb 0.18 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.86 1yx6 h GLN 33 CO -0.02 0.63 0.12 -0.09 -0.67 0.00 0.00 178.83 178.79 1yx6 h ARG 34 N 0.60 0.28 0.00 1.46 2.43 -1.16 0.87 114.38 118.86 1yx6 h ARG 34 Ca 0.13 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1yx6 h ARG 34 Cb 0.34 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.83 1yx6 h ARG 34 CO 0.01 0.25 -0.02 1.96 -1.51 0.00 0.00 179.97 180.66 1yx6 h GLN 35 N 0.23 0.00 0.05 0.20 7.50 -1.25 0.11 115.11 121.96 1yx6 h GLN 35 Ca 0.07 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.10 1yx6 h GLN 35 Cb 0.05 0.00 0.01 0.00 0.05 0.00 0.00 27.48 27.59 1yx6 h GLN 35 CO -0.01 0.02 -0.51 0.00 -1.50 0.00 0.00 178.83 176.82 1yx6 h ARG 36 N 0.00 0.26 0.00 1.46 3.08 -1.03 -0.80 114.38 117.35 1yx6 h ARG 36 Ca -0.00 -0.34 -0.05 0.00 0.07 0.00 0.00 59.98 59.65 1yx6 h ARG 36 Cb 0.03 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1yx6 h ARG 36 CO 0.00 1.10 -0.24 1.96 -1.07 0.00 0.00 179.97 181.72 1yx6 h GLN 37 N -0.42 0.00 0.00 0.04 4.20 -0.40 -0.95 115.11 117.57 1yx6 h GLN 37 Ca -0.08 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.62 1yx6 h GLN 37 Cb 1.32 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.10 1yx6 h GLN 37 CO 0.10 0.24 -0.22 1.49 -0.67 0.00 0.00 178.83 179.77 1yx6 h GLU 38 N 0.00 0.00 -0.69 1.46 4.81 -0.83 0.34 114.58 119.67 1yx6 h GLU 38 Ca -0.00 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.41 1yx6 h GLU 38 Cb 0.60 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.94 1yx6 h GLU 38 CO 0.03 0.09 0.49 0.93 -0.73 0.00 0.00 179.01 179.82 1yx6 h GLU 39 N -1.00 0.11 0.17 1.92 4.39 -1.19 0.45 114.58 119.43 1yx6 h GLU 39 Ca -0.01 -0.01 -0.32 0.00 0.34 0.00 0.00 59.36 59.36 1yx6 h GLU 39 Cb 0.28 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.91 1yx6 h GLU 39 CO -0.01 0.07 -1.54 1.49 -1.16 0.00 0.00 179.01 177.87 1yx6 h GLU 40 N 0.12 0.35 0.33 2.33 4.81 -1.28 -2.85 114.58 118.39 1yx6 h GLU 40 Ca 0.33 -0.60 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 1yx6 h GLU 40 Cb 1.16 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1yx6 h GLU 40 CO -0.04 1.25 -0.16 0.00 -0.73 0.00 0.00 179.01 179.33 1yx6 h ALA 41 N 0.34 -0.44 -0.85 2.92 0.00 0.14 -2.85 119.26 118.51 1yx6 h ALA 41 Ca -0.26 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.52 1yx6 h ALA 41 Cb 2.07 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 19.97 1yx6 h ALA 41 CO 0.20 -0.52 0.56 0.00 0.00 0.00 0.00 179.25 179.48 1yx6 h ARG 42 N -0.90 0.94 -0.87 0.00 3.08 -0.40 -0.03 114.38 116.19 1yx6 h ARG 42 Ca -0.05 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.00 1yx6 h ARG 42 Cb 0.52 -0.21 -0.05 0.00 0.08 0.00 0.00 29.97 30.31 1yx6 h ARG 42 CO 0.07 0.62 0.57 0.00 -1.07 0.00 0.00 179.97 180.17 1yx6 h ARG 43 N 0.97 1.01 0.03 0.04 2.47 -1.49 -1.42 114.38 115.98 1yx6 h ARG 43 Ca 0.36 -0.06 -0.22 0.00 -1.26 0.00 0.00 59.98 58.80 1yx6 h ARG 43 Cb 0.18 -0.23 -0.02 0.00 -1.65 0.00 0.00 29.97 28.26 1yx6 h ARG 43 CO -0.13 0.67 -1.03 0.00 0.56 0.00 0.00 179.97 180.04 1yx6 h ALA 44 N 1.51 0.33 0.00 0.04 0.00 -0.98 -2.82 119.26 117.33 1yx6 h ALA 44 Ca 0.36 -0.87 -0.02 0.00 0.00 0.00 0.00 54.91 54.37 1yx6 h ALA 44 Cb 0.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1yx6 h ALA 44 CO -0.12 1.14 -0.12 0.00 0.00 0.00 0.00 179.25 180.15 1yx6 h ALA 45 N 0.91 1.70 0.14 0.00 0.00 -0.03 0.68 119.26 122.66 1yx6 h ALA 45 Ca -0.04 -0.11 -0.33 0.00 0.00 0.00 0.00 54.91 54.43 1yx6 h ALA 45 Cb 1.77 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1yx6 h ALA 45 CO 0.15 0.15 -1.71 0.00 0.00 0.00 0.00 179.25 177.83 1yx6 h ALA 46 N 1.88 0.29 -0.26 0.00 0.00 -1.34 -2.82 119.26 117.01 1yx6 h ALA 46 Ca -0.00 -1.20 -0.11 0.00 0.00 0.00 0.00 54.91 53.60 1yx6 h ALA 46 Cb 0.22 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1yx6 h ALA 46 CO 0.02 1.16 -0.26 0.00 0.00 0.00 0.00 179.25 180.17 1yx6 h ALA 47 N 0.32 0.38 -0.19 0.00 0.00 -1.22 -1.41 119.26 117.13 1yx6 h ALA 47 Ca -0.32 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.14 1yx6 h ALA 47 Cb 2.05 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 1yx6 h ALA 47 CO 0.15 0.37 -0.13 0.77 0.00 0.00 0.00 179.25 180.41 1yx6 h SER 48 N 0.35 0.45 0.58 0.00 0.02 -1.02 -2.86 113.55 111.06 1yx6 h SER 48 Ca 0.04 -0.44 -0.01 0.00 -0.84 0.00 0.00 61.79 60.54 1yx6 h SER 48 Cb 0.82 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.23 1yx6 h SER 48 CO 0.06 0.79 -0.05 0.00 -1.14 0.00 0.00 176.83 176.49 1yx6 h ALA 49 N 0.67 1.08 -0.57 3.77 0.00 -1.53 -2.10 119.26 120.58 1yx6 h ALA 49 Ca 0.04 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 1yx6 h ALA 49 Cb 0.64 -0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.34 1yx6 h ALA 49 CO 0.04 0.07 0.18 0.00 0.00 0.00 0.00 179.25 179.53 1yx6 n ALA 50 N -2.15 4.08 0.00 0.00 0.00 -0.53 -3.16 120.51 118.75 1yx6 n ALA 50 Ca -0.01 -1.79 0.00 0.00 0.00 0.00 0.00 53.44 51.64 1yx6 n ALA 50 Cb 0.24 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.50 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 0.05 0.00 -0.10 0.00 1.02 -0.80 -4.69 120.64 116.12 1yx6 n GLU 51 Ca 0.31 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.33 1yx6 n GLU 51 Cb 1.16 -0.57 -0.13 0.00 -0.02 0.00 0.00 31.44 31.88 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 -2.52 1.53 0.01 0.62 0.00 -1.18 -4.42 120.51 114.55 1yx6 n ALA 52 Ca 0.00 -1.13 -0.07 0.00 0.00 0.00 0.00 53.44 52.24 1yx6 n ALA 52 Cb 0.33 -0.10 0.10 0.00 0.00 0.00 0.00 19.45 19.78 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 2.93 0.56 -7.40 0.00 0.00 -1.76 -3.37 103.07 94.03 1yx6 h GLY 53 Ca -0.50 -0.60 -0.31 0.00 0.00 0.00 0.00 47.33 45.91 1yx6 h GLY 53 CO -0.01 0.54 0.98 -1.50 0.00 0.00 0.00 176.54 176.54 1yx6 s ILE 54 N -4.11 3.51 0.52 2.60 1.10 -1.24 -4.93 121.20 118.65 1yx6 s ILE 54 Ca -0.07 -0.79 -0.20 0.00 -0.51 0.00 0.00 60.65 59.08 1yx6 s ILE 54 Cb 0.12 -4.44 -0.09 0.00 0.15 0.00 0.00 42.46 38.19 1yx6 s ILE 54 CO 0.82 -0.95 0.62 0.00 -2.11 0.00 0.00 174.94 173.32 1yx6 n ALA 55 N 14.47 -0.95 -1.78 1.50 0.00 -1.26 -4.85 120.51 127.64 1yx6 n ALA 55 Ca 0.44 0.05 -0.41 0.00 0.00 0.00 0.00 53.44 53.52 1yx6 n ALA 55 Cb 0.47 -1.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.04 1yx6 n ALA 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1yx6 s THR 56 N -1.59 2.19 0.00 0.00 2.01 -1.26 -5.02 115.64 111.97 1yx6 s THR 56 Ca 0.67 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.86 1yx6 s THR 56 Cb -0.49 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 68.90 1yx6 s THR 56 CO 0.55 0.04 0.00 0.35 -0.69 0.00 0.00 174.62 174.87 1yx6 n THR 57 N 0.74 0.00 -1.74 -0.82 -2.24 -1.26 -5.05 114.28 103.91 1yx6 n THR 57 Ca 0.02 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.85 1yx6 n THR 57 Cb 0.40 -0.73 0.18 0.00 -2.10 0.00 0.00 70.33 68.08 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 5.00 4.58 2.75 3.38 0.00 -1.26 -4.88 105.19 114.76 1yx6 n GLY 58 Ca 0.00 -1.28 -0.42 0.00 0.00 0.00 0.00 46.02 44.33 1yx6 n GLY 58 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1yx6 n THR 59 N -0.88 5.33 -3.89 2.61 5.66 -1.26 -4.89 114.28 116.97 1yx6 n THR 59 Ca 0.18 -5.24 -0.32 0.00 -3.05 0.00 0.00 64.05 55.62 1yx6 n THR 59 Cb 0.76 -1.99 -0.13 0.00 -1.55 0.00 0.00 70.33 67.42 1yx6 n THR 59 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1yx6 s GLU 60 N -2.15 2.09 0.00 1.09 0.41 -1.26 -4.75 118.70 114.12 1yx6 s GLU 60 Ca 0.41 -2.48 0.00 0.00 -0.41 0.00 0.00 54.97 52.48 1yx6 s GLU 60 Cb 0.13 -3.43 0.00 0.00 -1.78 0.00 0.00 34.13 29.05 1yx6 s GLU 60 CO -0.03 -1.11 0.00 -0.25 -0.49 0.00 0.00 175.26 173.39 1yx6 n ASP 61 N 3.40 0.00 -3.43 -0.19 8.00 -1.26 -5.02 116.55 118.06 1yx6 n ASP 61 Ca 0.05 0.00 -0.27 0.00 0.71 0.00 0.00 54.79 55.29 1yx6 n ASP 61 Cb 0.35 0.13 -0.08 0.00 -0.02 0.00 0.00 41.12 41.50 1yx6 n ASP 61 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1yx6 n SER 62 N -1.66 3.35 0.00 -2.24 7.64 -1.26 -4.91 113.62 114.54 1yx6 n SER 62 Ca 0.00 -3.35 -0.07 0.00 1.01 0.00 0.00 58.87 56.45 1yx6 n SER 62 Cb 0.00 -0.67 -0.06 0.00 -1.01 0.00 0.00 64.21 62.47 1yx6 n SER 62 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1yx6 h ASP 63 N 4.24 -0.11 0.97 6.43 1.82 -1.95 -2.84 116.42 124.99 1yx6 h ASP 63 Ca 0.18 -0.33 -0.10 0.00 -0.39 0.00 0.00 57.03 56.40 1yx6 h ASP 63 Cb 0.69 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 40.71 1yx6 h ASP 63 CO 0.79 0.51 -0.46 0.44 -1.61 0.00 0.00 179.24 178.92 1yx6 h ASP 64 N -0.98 0.00 -0.49 2.28 3.32 -1.99 -2.90 116.42 115.66 1yx6 h ASP 64 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1yx6 h ASP 64 Cb 0.43 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1yx6 h ASP 64 CO 0.02 0.46 0.21 0.00 -1.72 0.00 0.00 179.24 178.21 1yx6 h ALA 65 N 1.54 0.64 0.00 3.45 0.00 -1.93 0.63 119.26 123.59 1yx6 h ALA 65 Ca -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1yx6 h ALA 65 Cb 1.07 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1yx6 h ALA 65 CO 0.06 0.23 -0.26 -0.07 0.00 0.00 0.00 179.25 179.21 1yx6 h LEU 66 N 0.65 0.00 -0.04 0.00 -0.00 -1.40 0.60 115.31 115.12 1yx6 h LEU 66 Ca 0.17 0.00 -0.25 0.00 -0.00 0.00 0.00 57.88 57.80 1yx6 h LEU 66 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.83 1yx6 h LEU 66 CO -0.02 0.26 -1.08 0.25 -0.00 0.00 0.00 178.44 177.85 1yx6 h LEU 67 N 0.00 0.46 0.00 1.67 6.46 -1.05 -2.84 115.31 120.02 1yx6 h LEU 67 Ca -0.00 -0.43 -0.02 0.00 -0.12 0.00 0.00 57.88 57.31 1yx6 h LEU 67 Cb 0.47 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.25 1yx6 h LEU 67 CO 0.03 1.27 -0.20 0.11 -0.62 0.00 0.00 178.44 179.04 1yx6 h LYS 68 N 0.15 0.00 -0.80 1.25 1.79 0.79 -2.90 116.57 116.85 1yx6 h LYS 68 Ca -0.10 0.00 0.13 0.00 -2.18 0.00 0.00 60.65 58.50 1yx6 h LYS 68 Cb 1.76 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 32.32 1yx6 h LYS 68 CO 0.18 0.34 0.39 0.52 -1.08 0.00 0.00 179.45 179.80 1yx6 h MET 69 N -1.00 0.57 -0.43 3.15 2.86 0.03 1.37 114.93 121.47 1yx6 h MET 69 Ca -0.03 -0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 1yx6 h MET 69 Cb 0.46 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1yx6 h MET 69 CO -0.02 0.37 -0.03 1.15 1.06 0.00 0.00 176.91 179.45 1yx6 h THR 70 N 0.58 1.27 0.00 2.22 2.02 -1.65 -2.81 112.91 114.54 1yx6 h THR 70 Ca 0.43 -1.08 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1yx6 h THR 70 Cb 0.58 1.10 0.00 0.00 -1.74 0.00 0.00 68.15 68.08 1yx6 h THR 70 CO -0.35 0.37 -0.25 0.00 0.37 0.00 0.00 175.52 175.66 1yx6 n ILE 71 N -4.37 0.22 0.07 3.11 0.13 -0.63 -2.62 119.36 115.28 1yx6 n ILE 71 Ca -0.00 -0.13 -0.15 0.00 -1.10 0.00 0.00 62.75 61.37 1yx6 n ILE 71 Cb 0.32 -0.27 -0.07 0.00 -0.84 0.00 0.00 39.64 38.77 1yx6 n ILE 71 CO 0.00 0.00 0.00 -1.28 2.80 0.00 0.00 176.55 178.07 1yx6 h SER 72 N 0.00 0.58 0.80 9.51 0.87 0.20 -0.35 113.55 125.16 1yx6 h SER 72 Ca 0.00 -0.49 -0.14 0.00 -1.23 0.00 0.00 61.79 59.93 1yx6 h SER 72 Cb 0.61 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1yx6 h SER 72 CO 0.00 1.30 -1.29 1.56 -0.53 0.00 0.00 176.83 177.87 1yx6 h GLN 73 N 0.22 0.00 0.14 2.24 1.08 -1.58 -2.83 115.11 114.38 1yx6 h GLN 73 Ca -0.10 0.00 -0.33 0.00 -1.45 0.00 0.00 58.65 56.77 1yx6 h GLN 73 Cb 1.68 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 29.11 1yx6 h GLN 73 CO 0.18 0.27 -1.68 0.37 -0.95 0.00 0.00 178.83 177.02 1yx6 h GLN 74 N 0.00 0.29 0.16 1.46 4.15 -1.56 -3.38 115.11 116.22 1yx6 h GLN 74 Ca -0.13 -0.49 -0.22 0.00 0.77 0.00 0.00 58.65 58.57 1yx6 h GLN 74 Cb 1.50 0.18 0.02 0.00 0.21 0.00 0.00 27.48 29.39 1yx6 h GLN 74 CO 0.04 1.16 -1.01 1.49 -1.93 0.00 0.00 178.83 178.58 1yx6 h GLU 75 N 0.08 0.33 -6.66 1.69 4.81 -1.21 -3.43 114.58 110.19 1yx6 h GLU 75 Ca -0.30 -0.56 -0.56 0.00 -0.13 0.00 0.00 59.36 57.80 1yx6 h GLU 75 Cb 2.05 0.21 -0.06 0.00 0.63 0.00 0.00 28.75 31.57 1yx6 h GLU 75 CO 0.15 1.27 0.98 0.12 -0.73 0.00 0.00 179.01 180.80 1yx6 s PHE 76 N -2.46 2.67 -0.59 0.92 2.19 -1.07 -4.94 117.98 114.71 1yx6 s PHE 76 Ca -0.14 0.69 0.05 0.00 0.33 0.00 0.00 56.93 57.86 1yx6 s PHE 76 Cb 0.02 -4.41 0.18 0.00 -1.31 0.00 0.00 43.02 37.50 1yx6 s PHE 76 CO 0.84 -1.51 0.46 0.41 1.83 0.00 0.00 175.22 177.25 1yx6 n GLY 77 N 4.94 3.38 2.70 13.12 0.00 -1.26 -4.73 105.19 123.32 1yx6 n GLY 77 Ca 0.13 -2.12 -0.05 0.00 0.00 0.00 0.00 46.02 43.99 1yx6 n GLY 77 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1yx6 n ARG 78 N 2.16 -4.01 -3.01 1.61 0.00 -1.26 -5.02 116.66 107.14 1yx6 n ARG 78 Ca 0.24 3.06 -0.14 0.00 -0.00 0.00 0.00 57.85 61.01 1yx6 n ARG 78 Cb 0.41 -4.26 -0.03 0.00 0.00 0.00 0.00 32.46 28.57 1yx6 n ARG 78 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1yx6 n THR 79 N 1.89 -0.48 -2.29 5.15 -1.04 -1.26 -4.98 114.28 111.27 1yx6 n THR 79 Ca -0.35 -2.18 -0.17 0.00 -2.04 0.00 0.00 64.05 59.30 1yx6 n THR 79 Cb 0.54 -0.12 0.03 0.00 -1.82 0.00 0.00 70.33 68.96 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 2.57 5.02 3.61 3.41 0.00 -1.26 -5.03 105.19 113.51 1yx6 n GLY 80 Ca 0.21 -2.21 -0.06 0.00 0.00 0.00 0.00 46.02 43.95 1yx6 n GLY 80 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1yx6 s LEU 81 N -3.64 -0.22 -0.91 0.99 2.34 -1.26 -5.03 118.68 110.96 1yx6 s LEU 81 Ca 0.44 0.26 -0.11 0.00 0.06 0.00 0.00 54.13 54.77 1yx6 s LEU 81 Cb 0.39 1.50 -0.08 0.00 -0.56 0.00 0.00 46.19 47.43 1yx6 s LEU 81 CO 0.00 -0.18 2.07 -0.81 -1.06 0.00 0.00 176.35 176.37 1yx6 n PRO 82 N 0.78 1.96 -1.67 1.48 -0.04 -1.26 -4.90 135.00 131.34 1yx6 n PRO 82 Ca -0.06 -1.65 -0.43 0.00 -0.04 0.00 0.00 63.50 61.32 1yx6 n PRO 82 Cb 0.58 -2.65 -0.03 0.00 -0.04 0.00 0.00 33.50 31.36 1yx6 n PRO 82 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1yx6 n ASP 83 N 5.34 4.05 0.12 3.54 2.03 -1.26 -4.87 116.55 125.50 1yx6 n ASP 83 Ca 0.47 0.94 -0.21 0.00 0.52 0.00 0.00 54.79 56.52 1yx6 n ASP 83 Cb 0.23 -1.52 -0.15 0.00 -0.72 0.00 0.00 41.12 38.96 1yx6 n ASP 83 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1yx6 h LEU 84 N 9.61 0.63 -2.68 -2.67 5.85 -1.93 -3.20 115.31 120.92 1yx6 h LEU 84 Ca -0.48 -0.71 -0.00 0.00 0.84 0.00 0.00 57.88 57.53 1yx6 h LEU 84 Cb 1.24 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.06 1yx6 h LEU 84 CO 0.94 1.56 -0.01 0.77 -0.34 0.00 0.00 178.44 181.37 1yx6 h SER 85 N 0.11 0.00 0.63 1.25 4.64 -2.01 -1.73 113.55 116.43 1yx6 h SER 85 Ca -0.22 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.83 1yx6 h SER 85 Cb 2.08 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 64.13 1yx6 h SER 85 CO 0.23 0.01 -1.49 -1.28 -0.87 0.00 0.00 176.83 173.43 1yx6 h SER 86 N 0.00 0.06 -3.00 4.97 0.87 -1.95 -3.44 113.55 111.05 1yx6 h SER 86 Ca -0.00 -0.10 -0.57 0.00 -1.23 0.00 0.00 61.79 59.89 1yx6 h SER 86 Cb 0.08 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 61.98 1yx6 h SER 86 CO 0.00 1.08 0.82 -0.04 -0.53 0.00 0.00 176.83 178.17 1yx6 s MET 87 N -2.63 4.27 0.00 2.24 1.00 -0.65 -5.01 119.30 118.52 1yx6 s MET 87 Ca -0.04 1.58 0.00 0.00 0.00 0.00 0.00 55.69 57.23 1yx6 s MET 87 Cb 0.08 -3.69 0.00 0.00 0.00 0.00 0.00 34.83 31.23 1yx6 s MET 87 CO 0.82 -0.62 0.00 0.25 0.00 0.00 0.00 175.02 175.48 1yx6 n THR 88 N 5.17 0.00 0.13 2.05 -2.24 -1.26 -4.40 114.28 113.73 1yx6 n THR 88 Ca 0.13 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.92 1yx6 n THR 88 Cb 0.46 -1.97 0.35 0.00 -2.10 0.00 0.00 70.33 67.06 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 0.19 0.18 -0.78 4.11 -1.97 0.38 114.58 116.68 1yx6 h GLU 89 Ca 0.00 -0.06 -0.34 0.00 0.07 0.00 0.00 59.36 59.03 1yx6 h GLU 89 Cb 0.00 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.24 1yx6 h GLU 89 CO 0.00 0.43 -1.69 0.93 0.07 0.00 0.00 179.01 178.74 1yx6 h GLU 90 N 0.17 0.38 -0.39 1.06 5.08 -1.97 -1.30 114.58 117.61 1yx6 h GLU 90 Ca 0.03 -0.65 -0.03 0.00 -1.00 0.00 0.00 59.36 57.71 1yx6 h GLU 90 Cb 0.53 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 1yx6 h GLU 90 CO 0.04 1.31 0.13 1.49 -1.00 0.00 0.00 179.01 180.98 1yx6 h GLU 91 N 0.05 0.60 -0.20 2.33 4.57 -1.84 0.15 114.58 120.24 1yx6 h GLU 91 Ca -0.34 -0.12 -0.09 0.00 -1.18 0.00 0.00 59.36 57.63 1yx6 h GLU 91 Cb 2.05 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 30.54 1yx6 h GLU 91 CO 0.16 0.60 -0.27 1.96 -1.18 0.00 0.00 179.01 180.28 1yx6 h GLN 92 N 0.48 0.37 -0.94 1.92 4.20 -0.37 -1.99 115.11 118.79 1yx6 h GLN 92 Ca 0.13 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 1yx6 h GLN 92 Cb 0.24 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 27.95 1yx6 h GLN 92 CO -0.01 0.61 0.57 0.82 -0.67 0.00 0.00 178.83 180.16 1yx6 h ILE 93 N 0.33 1.26 -0.44 2.54 2.04 -0.20 0.10 117.51 123.14 1yx6 h ILE 93 Ca 0.05 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.39 1yx6 h ILE 93 Cb 0.65 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1yx6 h ILE 93 CO 0.05 0.27 0.29 0.00 0.00 0.00 0.00 178.15 178.76 1yx6 h ALA 94 N 1.32 1.90 -0.64 1.87 0.00 0.02 0.27 119.26 124.00 1yx6 h ALA 94 Ca 0.34 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 1yx6 h ALA 94 Cb -0.06 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1yx6 h ALA 94 CO -0.06 0.03 0.12 -0.92 0.00 0.00 0.00 179.25 178.42 1yx6 h TYR 95 N 0.40 1.09 0.09 0.00 3.20 -0.78 0.66 116.97 121.64 1yx6 h TYR 95 Ca 0.18 -0.14 -0.26 0.00 3.14 0.00 0.00 58.73 61.66 1yx6 h TYR 95 Cb 0.23 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 38.19 1yx6 h TYR 95 CO -0.00 0.91 -1.15 0.00 -1.64 0.00 0.00 178.16 176.28 1yx6 h ALA 96 N 1.14 0.19 0.00 1.82 0.00 -0.62 -1.33 119.26 120.46 1yx6 h ALA 96 Ca 0.20 -0.83 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 1yx6 h ALA 96 Cb 0.40 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1yx6 h ALA 96 CO 0.01 0.93 -0.64 0.52 0.00 0.00 0.00 179.25 180.07 1yx6 h MET 97 N 0.11 0.00 0.00 0.00 2.86 -0.38 -1.29 114.93 116.24 1yx6 h MET 97 Ca -0.12 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.44 1yx6 h MET 97 Cb 1.85 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.49 1yx6 h MET 97 CO 0.19 0.64 -0.99 0.37 1.06 0.00 0.00 176.91 178.17 1yx6 h GLN 98 N 0.00 0.00 0.00 1.72 5.75 0.30 -2.86 115.11 120.02 1yx6 h GLN 98 Ca -0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1yx6 h GLN 98 Cb 1.45 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.00 1yx6 h GLN 98 CO 0.08 0.19 -1.60 -0.12 -2.65 0.00 0.00 178.83 174.73 1yx6 n MET 99 N -2.88 0.63 -0.06 1.69 1.56 -0.50 -4.30 117.12 113.25 1yx6 n MET 99 Ca -0.03 -0.07 -0.12 0.00 -0.27 0.00 0.00 57.70 57.21 1yx6 n MET 99 Cb 0.69 -1.64 -0.14 0.00 2.15 0.00 0.00 33.22 34.28 1yx6 n MET 99 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 1yx6 n SER 100 N -2.41 0.86 0.26 6.12 7.64 -0.49 -4.14 113.62 121.46 1yx6 n SER 100 Ca -0.02 0.14 0.12 0.00 1.01 0.00 0.00 58.87 60.12 1yx6 n SER 100 Cb 0.56 0.20 0.78 0.00 -1.01 0.00 0.00 64.21 64.73 1yx6 n SER 100 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1yx6 h LEU 101 N 0.01 0.00 -0.18 -3.43 6.46 -1.70 -1.85 115.31 114.63 1yx6 h LEU 101 Ca -0.45 0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.08 1yx6 h LEU 101 Cb 2.09 0.00 0.01 0.00 -0.73 0.00 0.00 40.66 42.03 1yx6 h LEU 101 CO 0.04 0.00 -0.88 1.56 -0.62 0.00 0.00 178.44 178.53 1yx6 h GLN 102 N 0.00 0.58 -1.72 1.25 1.08 -1.75 -3.50 115.11 111.05 1yx6 h GLN 102 Ca 0.02 -0.55 0.00 0.00 -1.45 0.00 0.00 58.65 56.67 1yx6 h GLN 102 Cb 0.07 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.64 1yx6 h GLN 102 CO -0.00 1.17 0.00 0.41 -0.95 0.00 0.00 178.83 179.46 1yx6 n GLY 103 N 0.84 -3.02 3.10 3.46 0.00 -0.70 -4.96 105.19 103.91 1yx6 n GLY 103 Ca -0.07 -0.64 -0.36 0.00 0.00 0.00 0.00 46.02 44.95 1yx6 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx6 s ALA 104 N 0.00 4.17 -0.19 4.61 0.00 -1.26 -4.86 121.76 124.22 1yx6 s ALA 104 Ca 0.00 -3.79 -0.15 0.00 0.00 0.00 0.00 51.96 48.02 1yx6 s ALA 104 Cb 0.00 -2.78 -0.09 0.00 0.00 0.00 0.00 23.12 20.25 1yx6 s ALA 104 CO 0.00 -2.14 -0.15 -1.91 0.00 0.00 0.00 175.76 171.56 1yx6 n GLU 105 N 2.42 0.52 -2.17 0.00 2.13 -1.26 -4.57 120.64 117.71 1yx6 n GLU 105 Ca 0.20 0.42 -0.33 0.00 0.66 0.00 0.00 57.16 58.12 1yx6 n GLU 105 Cb 0.37 -1.61 0.02 0.00 0.27 0.00 0.00 31.44 30.49 1yx6 n GLU 105 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1yx6 n PHE 106 N -4.47 3.19 -1.67 4.31 3.72 -1.26 -4.98 117.46 116.29 1yx6 n PHE 106 Ca -0.23 -2.73 -0.20 0.00 -0.05 0.00 0.00 57.45 54.24 1yx6 n PHE 106 Cb 0.53 -0.63 -0.06 0.00 -0.94 0.00 0.00 39.48 38.38 1yx6 n PHE 106 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 1yx6 s GLY 107 N -2.41 -0.55 -0.72 1.37 0.00 -1.26 -4.80 107.32 98.94 1yx6 s GLY 107 Ca 0.51 -0.81 0.04 0.00 0.00 0.00 0.00 44.72 44.45 1yx6 s GLY 107 CO -0.27 4.06 1.01 -0.18 0.00 0.00 0.00 173.10 177.72 1yx6 n GLN 108 N 8.87 3.30 -3.41 2.90 7.27 -1.26 -4.89 117.38 130.15 1yx6 n GLN 108 Ca 0.43 -4.72 -0.14 0.00 0.07 0.00 0.00 57.00 52.65 1yx6 n GLN 108 Cb 0.46 -2.31 0.01 0.00 2.41 0.00 0.00 30.24 30.81 1yx6 n GLN 108 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1yx6 n ALA 109 N 0.52 -2.60 -0.02 1.69 0.00 -1.26 -4.95 120.51 113.87 1yx6 n ALA 109 Ca 0.31 -0.12 -0.07 0.00 0.00 0.00 0.00 53.44 53.57 1yx6 n ALA 109 Cb 0.38 -2.00 -0.02 0.00 0.00 0.00 0.00 19.45 17.81 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 -2.56 0.15 -3.72 0.00 -0.58 -1.26 -5.06 120.64 107.61 1yx6 n GLU 110 Ca -0.12 0.06 -0.12 0.00 -0.42 0.00 0.00 57.16 56.57 1yx6 n GLU 110 Cb 0.58 -0.75 -0.12 0.00 -0.57 0.00 0.00 31.44 30.58 1yx6 n GLU 110 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1yx6 s SER 111 N -5.73 -0.37 0.00 1.62 1.04 -1.26 -5.26 113.70 103.74 1yx6 s SER 111 Ca -0.10 0.68 0.11 0.00 0.48 0.00 0.00 55.95 57.12 1yx6 s SER 111 Cb 0.03 0.57 0.08 0.00 0.10 0.00 0.00 66.02 66.80 1yx6 s SER 111 CO 0.12 -0.18 0.84 0.00 0.98 0.00 0.00 173.24 175.00