#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yx4 n MET 2 N 0.00 -2.07 -0.57 -0.41 0.00 -1.26 -4.43 117.12 108.37 1yx4 n MET 2 Ca 0.00 1.40 0.03 0.00 0.00 0.00 0.00 57.70 59.13 1yx4 n MET 2 Cb 0.00 -2.54 0.22 0.00 0.00 0.00 0.00 33.22 30.90 1yx4 n MET 2 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 1yx4 n LEU 3 N -3.21 3.80 -3.70 4.03 4.32 -1.26 -4.77 117.00 116.20 1yx4 n LEU 3 Ca 0.00 -3.40 -0.42 0.00 -0.02 0.00 0.00 56.01 52.17 1yx4 n LEU 3 Cb 0.62 -0.57 -0.00 0.00 -1.62 0.00 0.00 43.42 41.84 1yx4 n LEU 3 CO 0.01 0.97 2.61 0.61 -1.22 0.00 0.00 177.39 180.37 1yx4 n GLY 4 N -0.92 4.50 3.13 -0.72 0.00 -1.26 -4.64 105.19 105.29 1yx4 n GLY 4 Ca 0.26 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 44.40 1yx4 n GLY 4 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yx4 n LEU 5 N 5.24 -5.78 -2.70 0.99 4.32 -1.26 -4.97 117.00 112.84 1yx4 n LEU 5 Ca 0.53 0.18 -0.06 0.00 -0.02 0.00 0.00 56.01 56.63 1yx4 n LEU 5 Cb 0.36 -2.72 0.07 0.00 -1.62 0.00 0.00 43.42 39.51 1yx4 n LEU 5 CO 0.87 -1.35 0.14 0.61 -1.22 0.00 0.00 177.39 176.44 1yx4 n GLY 6 N -0.46 1.56 2.31 -0.72 0.00 -1.26 -4.95 105.19 101.67 1yx4 n GLY 6 Ca 0.02 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1yx4 n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx4 n ALA 7 N -0.45 -0.59 -0.03 4.61 0.00 -1.26 -4.77 120.51 118.02 1yx4 n ALA 7 Ca 0.03 0.14 -0.02 0.00 0.00 0.00 0.00 53.44 53.59 1yx4 n ALA 7 Cb 0.83 -1.53 -0.07 0.00 0.00 0.00 0.00 19.45 18.68 1yx4 n ALA 7 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1yx4 n SER 8 N -1.44 2.78 0.31 0.00 7.64 -1.26 -4.49 113.62 117.17 1yx4 n SER 8 Ca -0.15 0.00 0.19 0.00 1.01 0.00 0.00 58.87 59.92 1yx4 n SER 8 Cb 0.57 0.90 1.03 0.00 -1.01 0.00 0.00 64.21 65.70 1yx4 n SER 8 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1yx4 h ASP 9 N 0.00 0.00 -2.08 6.43 5.19 -1.89 -3.40 116.42 120.67 1yx4 h ASP 9 Ca -0.18 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.23 1yx4 h ASP 9 Cb 1.28 0.00 -0.23 0.00 0.18 0.00 0.00 39.33 40.56 1yx4 h ASP 9 CO 0.01 0.02 -0.24 0.72 -3.12 0.00 0.00 179.24 176.62 1yx4 s PHE 10 N -4.24 -1.16 -0.37 4.55 -0.71 -1.26 -4.98 117.98 109.81 1yx4 s PHE 10 Ca -0.04 1.92 0.13 0.00 -1.04 0.00 0.00 56.93 57.91 1yx4 s PHE 10 Cb 0.13 0.57 0.41 0.00 -1.21 0.00 0.00 43.02 42.93 1yx4 s PHE 10 CO 0.48 -0.63 0.91 -0.85 -1.34 0.00 0.00 175.22 173.79 1yx4 n GLU 11 N 5.42 1.56 -1.78 1.99 0.28 -1.26 -4.92 120.64 121.93 1yx4 n GLU 11 Ca -0.09 -3.58 -0.14 0.00 -0.16 0.00 0.00 57.16 53.18 1yx4 n GLU 11 Cb 0.49 -1.59 -0.04 0.00 1.43 0.00 0.00 31.44 31.73 1yx4 n GLU 11 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1yx4 n PHE 12 N -0.03 -0.68 -0.50 -1.84 3.01 -1.26 -4.72 117.46 111.44 1yx4 n PHE 12 Ca 0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.65 1yx4 n PHE 12 Cb 0.72 -2.82 0.00 0.00 -0.01 0.00 0.00 39.48 37.36 1yx4 n PHE 12 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yx4 n GLY 13 N -0.48 -0.10 0.00 1.37 0.00 -1.26 -4.56 105.19 100.16 1yx4 n GLY 13 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1yx4 n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1yx4 n VAL 14 N -0.14 0.00 -1.08 1.61 0.24 -1.26 -4.97 118.33 112.72 1yx4 n VAL 14 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.34 62.01 1yx4 n VAL 14 Cb 0.27 -0.93 0.19 0.00 -1.47 0.00 0.00 33.84 31.90 1yx4 n VAL 14 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1yx4 s ASP 15 N -3.11 2.22 0.44 -1.34 1.11 -1.26 -4.91 116.67 109.82 1yx4 s ASP 15 Ca 0.00 1.16 0.30 0.00 0.18 0.00 0.00 52.55 54.19 1yx4 s ASP 15 Cb 0.00 -1.83 1.17 0.00 1.07 0.00 0.00 42.92 43.34 1yx4 s ASP 15 CO 0.00 -3.38 1.87 1.55 1.18 0.00 0.00 175.17 176.39 1yx4 h PRO 16 N -2.07 0.00 0.00 8.23 0.13 -1.97 -2.85 132.00 133.48 1yx4 h PRO 16 Ca -0.56 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 1yx4 h PRO 16 Cb 1.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 1yx4 h PRO 16 CO 0.56 0.00 -0.04 0.77 -0.23 0.00 0.00 178.00 179.06 1yx4 h SER 17 N 0.00 0.00 -0.95 1.44 0.02 -1.95 -2.82 113.55 109.29 1yx4 h SER 17 Ca 0.00 0.00 0.22 0.00 -0.84 0.00 0.00 61.79 61.17 1yx4 h SER 17 Cb 0.50 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.97 1yx4 h SER 17 CO 0.00 0.04 0.62 0.00 -1.14 0.00 0.00 176.83 176.35 1yx4 h ALA 18 N 1.96 2.19 -1.06 3.77 0.00 -1.74 -3.41 119.26 120.97 1yx4 h ALA 18 Ca -0.00 0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.11 1yx4 h ALA 18 Cb 0.29 -0.02 -0.24 0.00 0.00 0.00 0.00 17.79 17.83 1yx4 h ALA 18 CO 0.00 -0.50 0.20 -0.51 0.00 0.00 0.00 179.25 178.44 1yx4 s ASP 19 N -5.53 -0.61 0.15 0.00 1.01 -1.06 -5.03 116.67 105.59 1yx4 s ASP 19 Ca -0.08 0.84 -0.02 0.00 0.71 0.00 0.00 52.55 53.99 1yx4 s ASP 19 Cb 0.23 1.70 -0.04 0.00 1.01 0.00 0.00 42.92 45.82 1yx4 s ASP 19 CO 0.79 -0.12 1.35 1.55 0.21 0.00 0.00 175.17 178.95 1yx4 h PRO 20 N 7.53 0.37 -0.19 8.23 0.13 -1.80 -2.77 132.00 143.51 1yx4 h PRO 20 Ca -0.16 -0.37 -0.07 0.00 -0.87 0.00 0.00 66.00 64.53 1yx4 h PRO 20 Cb 1.11 0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1yx4 h PRO 20 CO 0.08 1.04 -0.20 1.49 -0.23 0.00 0.00 178.00 180.18 1yx4 h GLU 21 N 0.22 0.32 0.00 0.86 4.81 -1.96 -2.55 114.58 116.29 1yx4 h GLU 21 Ca -0.06 -0.10 -0.15 0.00 -0.13 0.00 0.00 59.36 58.92 1yx4 h GLU 21 Cb 1.49 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.81 1yx4 h GLU 21 CO 0.15 0.52 -0.74 1.25 -0.73 0.00 0.00 179.01 179.46 1yx4 h LEU 22 N 0.30 0.00 -0.13 1.64 5.85 -1.95 -2.80 115.31 118.21 1yx4 h LEU 22 Ca 0.05 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1yx4 h LEU 22 Cb 0.53 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.56 1yx4 h LEU 22 CO 0.04 0.74 -0.12 0.00 -0.34 0.00 0.00 178.44 178.75 1yx4 h ALA 23 N 1.26 0.19 -0.45 1.25 0.00 -1.17 -1.90 119.26 118.45 1yx4 h ALA 23 Ca -0.01 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.45 1yx4 h ALA 23 Cb 1.52 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 1yx4 h ALA 23 CO 0.10 0.05 -0.29 1.25 0.00 0.00 0.00 179.25 180.36 1yx4 h LEU 24 N -0.07 1.03 0.06 0.00 6.46 -1.56 -2.28 115.31 118.95 1yx4 h LEU 24 Ca 0.02 -0.42 -0.00 0.00 -0.12 0.00 0.00 57.88 57.36 1yx4 h LEU 24 Cb 0.64 -0.29 0.00 0.00 -0.73 0.00 0.00 40.66 40.29 1yx4 h LEU 24 CO 0.03 1.23 -0.03 0.00 -0.62 0.00 0.00 178.44 179.05 1yx4 h ALA 25 N 0.83 -0.07 0.00 1.25 0.00 -1.51 -0.93 119.26 118.82 1yx4 h ALA 25 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1yx4 h ALA 25 Cb 0.88 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1yx4 h ALA 25 CO 0.08 -0.50 -0.03 1.25 0.00 0.00 0.00 179.25 180.05 1yx4 h LEU 26 N -0.16 0.00 0.07 0.00 6.46 -1.34 -1.70 115.31 118.64 1yx4 h LEU 26 Ca -0.01 0.00 -0.25 0.00 -0.12 0.00 0.00 57.88 57.51 1yx4 h LEU 26 Cb 0.14 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 1yx4 h LEU 26 CO 0.01 0.03 -1.14 -0.09 -0.62 0.00 0.00 178.44 176.64 1yx4 h ARG 27 N 0.00 0.15 -0.06 1.25 1.12 -0.76 -2.84 114.38 113.24 1yx4 h ARG 27 Ca -0.00 -0.26 -0.11 0.00 -1.11 0.00 0.00 59.98 58.50 1yx4 h ARG 27 Cb 0.23 0.10 -0.01 0.00 -0.01 0.00 0.00 29.97 30.27 1yx4 h ARG 27 CO 0.00 1.13 -0.44 0.28 -3.11 0.00 0.00 179.97 177.83 1yx4 h VAL 28 N 0.04 1.32 -0.08 0.20 2.07 -0.26 -2.51 116.25 117.03 1yx4 h VAL 28 Ca -0.08 -1.58 -0.23 0.00 0.82 0.00 0.00 66.70 65.63 1yx4 h VAL 28 Cb 1.89 1.77 0.01 0.00 -1.52 0.00 0.00 31.29 33.44 1yx4 h VAL 28 CO 0.17 0.46 -0.86 -1.28 0.02 0.00 0.00 177.57 176.08 1yx4 h SER 29 N 0.12 0.90 -0.50 0.57 0.87 -1.49 -2.85 113.55 111.17 1yx4 h SER 29 Ca 0.01 -0.68 -0.01 0.00 -1.23 0.00 0.00 61.79 59.88 1yx4 h SER 29 Cb 0.84 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.50 1yx4 h SER 29 CO 0.06 1.45 0.27 0.24 -0.53 0.00 0.00 176.83 178.32 1yx4 h MET 30 N 0.43 0.70 -0.80 2.24 2.07 -1.38 -2.40 114.93 115.79 1yx4 h MET 30 Ca -0.09 -0.09 -0.02 0.00 -2.07 0.00 0.00 59.70 57.44 1yx4 h MET 30 Cb 1.51 -0.14 -0.04 0.00 -1.87 0.00 0.00 31.60 31.07 1yx4 h MET 30 CO 0.17 0.55 0.42 0.93 1.07 0.00 0.00 176.91 180.06 1yx4 h GLU 31 N 0.67 1.12 -0.55 1.72 5.08 -1.49 -2.06 114.58 119.07 1yx4 h GLU 31 Ca 0.18 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 1yx4 h GLU 31 Cb 0.06 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 1yx4 h GLU 31 CO -0.03 0.84 0.27 0.93 -1.00 0.00 0.00 179.01 180.02 1yx4 h GLU 32 N 1.13 0.77 -0.56 2.33 5.08 -1.20 -2.11 114.58 120.01 1yx4 h GLU 32 Ca 0.28 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1yx4 h GLU 32 Cb 0.05 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1yx4 h GLU 32 CO -0.04 0.59 0.04 0.37 -1.00 0.00 0.00 179.01 178.97 1yx4 h GLN 33 N 0.77 0.93 -0.78 2.33 4.15 -0.90 -2.72 115.11 118.89 1yx4 h GLN 33 Ca 0.19 -0.25 -0.05 0.00 0.77 0.00 0.00 58.65 59.32 1yx4 h GLN 33 Cb 0.07 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 1yx4 h GLN 33 CO -0.03 0.90 0.31 -0.09 -1.93 0.00 0.00 178.83 177.99 1yx4 h ARG 34 N 0.87 1.18 -0.94 1.69 9.65 -1.13 -1.04 114.38 124.65 1yx4 h ARG 34 Ca 0.17 -0.22 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 1yx4 h ARG 34 Cb 0.45 -0.19 -0.05 0.00 -1.39 0.00 0.00 29.97 28.80 1yx4 h ARG 34 CO 0.02 0.95 0.56 1.96 2.80 0.00 0.00 179.97 186.26 1yx4 h GLN 35 N 1.14 1.28 -0.18 0.20 4.20 -1.18 0.13 115.11 120.70 1yx4 h GLN 35 Ca 0.26 -0.12 -0.10 0.00 0.06 0.00 0.00 58.65 58.76 1yx4 h GLN 35 Cb 0.22 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 1yx4 h GLN 35 CO -0.02 0.90 -0.26 0.00 -0.67 0.00 0.00 178.83 178.78 1yx4 h ARG 36 N 1.30 0.49 0.00 1.46 -0.00 -1.21 0.18 114.38 116.60 1yx4 h ARG 36 Ca 0.34 -0.29 -0.03 0.00 -0.50 0.00 0.00 59.98 59.50 1yx4 h ARG 36 Cb -0.05 0.02 -0.00 0.00 0.00 0.00 0.00 29.97 29.94 1yx4 h ARG 36 CO -0.06 0.88 -0.15 1.96 0.00 0.00 0.00 179.97 182.60 1yx4 h GLN 37 N 0.14 0.00 0.00 0.04 1.08 -0.91 -1.87 115.11 113.58 1yx4 h GLN 37 Ca 0.02 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 1yx4 h GLN 37 Cb 0.83 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.25 1yx4 h GLN 37 CO 0.06 0.15 -0.36 1.49 -0.95 0.00 0.00 178.83 179.22 1yx4 h GLU 38 N 0.00 0.00 -0.84 1.46 4.81 -0.59 0.62 114.58 120.05 1yx4 h GLU 38 Ca -0.00 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 59.41 1yx4 h GLU 38 Cb 0.46 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.79 1yx4 h GLU 38 CO 0.02 0.56 0.56 0.93 -0.73 0.00 0.00 179.01 180.35 1yx4 h GLU 39 N -1.00 0.36 0.10 1.92 4.39 -0.95 0.49 114.58 119.90 1yx4 h GLU 39 Ca -0.08 -0.02 -0.29 0.00 0.34 0.00 0.00 59.36 59.31 1yx4 h GLU 39 Cb 0.71 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.27 1yx4 h GLU 39 CO -0.05 0.24 -1.47 1.49 -1.16 0.00 0.00 179.01 178.07 1yx4 h GLU 40 N 0.38 0.20 0.37 2.33 4.81 -1.44 -2.87 114.58 118.36 1yx4 h GLU 40 Ca 0.42 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1yx4 h GLU 40 Cb 1.08 0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1yx4 h GLU 40 CO -0.14 1.06 -0.18 0.00 -0.73 0.00 0.00 179.01 179.02 1yx4 h ALA 41 N 0.59 -0.50 -0.64 2.92 0.00 0.16 -2.82 119.26 118.97 1yx4 h ALA 41 Ca -0.21 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.54 1yx4 h ALA 41 Cb 1.99 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.94 1yx4 h ALA 41 CO 0.15 -0.57 0.43 0.00 0.00 0.00 0.00 179.25 179.26 1yx4 h ARG 42 N -0.93 0.76 -0.14 0.00 3.08 -0.32 -1.64 114.38 115.19 1yx4 h ARG 42 Ca -0.05 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 59.98 1yx4 h ARG 42 Cb 0.54 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1yx4 h ARG 42 CO 0.08 0.50 -0.02 0.00 -1.07 0.00 0.00 179.97 179.47 1yx4 h ARG 43 N 0.78 0.03 0.00 0.04 3.08 -1.48 -1.02 114.38 115.81 1yx4 h ARG 43 Ca 0.25 -0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.24 1yx4 h ARG 43 Cb 0.05 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1yx4 h ARG 43 CO -0.07 0.02 -0.32 0.00 -1.07 0.00 0.00 179.97 178.53 1yx4 h ALA 44 N 1.13 1.26 -0.45 0.04 0.00 -1.18 -2.79 119.26 117.27 1yx4 h ALA 44 Ca 0.07 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.57 1yx4 h ALA 44 Cb 0.09 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1yx4 h ALA 44 CO -0.12 0.40 -0.20 0.00 0.00 0.00 0.00 179.25 179.33 1yx4 h ALA 45 N 1.68 0.80 -0.06 0.00 0.00 -0.34 -1.31 119.26 120.03 1yx4 h ALA 45 Ca -0.00 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.41 1yx4 h ALA 45 Cb 0.65 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1yx4 h ALA 45 CO 0.04 0.65 -0.54 0.00 0.00 0.00 0.00 179.25 179.41 1yx4 h ALA 46 N 0.99 0.98 -0.01 0.00 0.00 -0.97 -2.79 119.26 117.44 1yx4 h ALA 46 Ca 0.11 -0.50 -0.20 0.00 0.00 0.00 0.00 54.91 54.32 1yx4 h ALA 46 Cb 0.74 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1yx4 h ALA 46 CO 0.06 0.68 -0.85 0.00 0.00 0.00 0.00 179.25 179.14 1yx4 h ALA 47 N 1.30 0.52 -0.15 0.00 0.00 -1.28 -2.30 119.26 117.34 1yx4 h ALA 47 Ca 0.00 -0.69 -0.11 0.00 0.00 0.00 0.00 54.91 54.12 1yx4 h ALA 47 Cb 1.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1yx4 h ALA 47 CO 0.08 0.85 -0.38 1.03 0.00 0.00 0.00 179.25 180.84 1yx4 h SER 48 N 0.17 0.34 0.79 0.00 0.87 -1.13 0.21 113.55 114.79 1yx4 h SER 48 Ca -0.05 -0.13 -0.24 0.00 -1.23 0.00 0.00 61.79 60.14 1yx4 h SER 48 Cb 1.46 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.32 1yx4 h SER 48 CO 0.14 0.69 -1.12 0.00 -0.53 0.00 0.00 176.83 176.01 1yx4 h ALA 49 N 1.33 0.23 0.00 6.23 0.00 -1.47 0.17 119.26 125.75 1yx4 h ALA 49 Ca 0.03 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1yx4 h ALA 49 Cb 0.79 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1yx4 h ALA 49 CO 0.06 1.09 -0.46 0.00 0.00 0.00 0.00 179.25 179.94 1yx4 n ALA 50 N -2.45 3.28 -0.05 0.00 0.00 -0.87 -2.45 120.51 117.96 1yx4 n ALA 50 Ca -0.05 -0.30 -0.12 0.00 0.00 0.00 0.00 53.44 52.98 1yx4 n ALA 50 Cb 0.97 -1.17 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 1yx4 n ALA 50 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1yx4 n GLU 51 N -1.62 0.25 -0.40 0.00 2.13 0.72 -4.76 120.64 116.96 1yx4 n GLU 51 Ca 0.05 0.11 0.06 0.00 0.66 0.00 0.00 57.16 58.05 1yx4 n GLU 51 Cb 0.36 -0.92 0.19 0.00 0.27 0.00 0.00 31.44 31.33 1yx4 n GLU 51 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1yx4 n ALA 52 N -3.58 3.12 -0.09 4.31 0.00 0.35 -4.26 120.51 120.35 1yx4 n ALA 52 Ca -0.21 -2.90 -0.14 0.00 0.00 0.00 0.00 53.44 50.19 1yx4 n ALA 52 Cb 0.61 -0.46 -0.06 0.00 0.00 0.00 0.00 19.45 19.54 1yx4 n ALA 52 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yx4 n GLY 53 N -1.18 -0.83 0.52 0.00 0.00 0.18 -4.66 105.19 99.23 1yx4 n GLY 53 Ca 0.20 -0.07 0.06 0.00 0.00 0.00 0.00 46.02 46.21 1yx4 n GLY 53 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1yx4 n ILE 54 N -4.50 1.32 -2.07 -0.61 -0.00 -1.22 -5.04 119.36 107.24 1yx4 n ILE 54 Ca -0.22 -1.91 -0.34 0.00 -0.00 0.00 0.00 62.75 60.29 1yx4 n ILE 54 Cb 0.51 0.09 0.01 0.00 -0.00 0.00 0.00 39.64 40.25 1yx4 n ILE 54 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 1yx4 s ALA 55 N -1.98 2.66 -0.81 -1.39 0.00 -1.26 -4.97 121.76 114.01 1yx4 s ALA 55 Ca 0.28 0.58 0.02 0.00 0.00 0.00 0.00 51.96 52.83 1yx4 s ALA 55 Cb 0.27 -3.29 0.34 0.00 0.00 0.00 0.00 23.12 20.43 1yx4 s ALA 55 CO -0.03 -0.88 1.47 2.41 0.00 0.00 0.00 175.76 178.73 1yx4 n THR 56 N -1.83 4.56 -3.06 0.00 -1.04 -1.26 -5.01 114.28 106.64 1yx4 n THR 56 Ca 0.10 -5.64 0.00 0.00 -2.04 0.00 0.00 64.05 56.47 1yx4 n THR 56 Cb 0.52 -1.45 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 1yx4 n THR 56 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1yx4 n THR 57 N -0.20 0.00 0.11 12.58 -2.24 -1.26 -5.07 114.28 118.21 1yx4 n THR 57 Ca 0.41 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.19 1yx4 n THR 57 Cb 0.33 -0.89 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 1yx4 n THR 57 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yx4 n GLY 58 N 5.00 -1.80 2.52 3.38 0.00 -1.26 -5.02 105.19 108.00 1yx4 n GLY 58 Ca 0.00 0.46 -0.28 0.00 0.00 0.00 0.00 46.02 46.21 1yx4 n GLY 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1yx4 n THR 59 N -2.91 2.33 -2.47 2.61 -1.04 -1.26 -4.86 114.28 106.68 1yx4 n THR 59 Ca 0.00 -5.18 -0.17 0.00 -2.04 0.00 0.00 64.05 56.66 1yx4 n THR 59 Cb 0.00 -2.12 0.02 0.00 -1.82 0.00 0.00 70.33 66.41 1yx4 n THR 59 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1yx4 n GLU 60 N 1.05 2.61 0.02 -2.82 1.02 -1.26 -4.79 120.64 116.48 1yx4 n GLU 60 Ca 0.28 -3.93 -0.00 0.00 -0.02 0.00 0.00 57.16 53.49 1yx4 n GLU 60 Cb 0.40 -1.90 -0.09 0.00 -0.02 0.00 0.00 31.44 29.83 1yx4 n GLU 60 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1yx4 n ASP 61 N -0.47 0.79 -3.92 1.62 2.03 -1.26 -4.55 116.55 110.78 1yx4 n ASP 61 Ca 0.27 0.35 -0.30 0.00 0.52 0.00 0.00 54.79 55.63 1yx4 n ASP 61 Cb 0.81 0.27 -0.11 0.00 -0.72 0.00 0.00 41.12 41.37 1yx4 n ASP 61 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1yx4 n SER 62 N -2.86 3.35 0.02 1.67 3.41 -1.26 -4.92 113.62 113.03 1yx4 n SER 62 Ca -0.11 -3.22 -0.06 0.00 -0.26 0.00 0.00 58.87 55.22 1yx4 n SER 62 Cb 0.85 -0.82 -0.05 0.00 -0.26 0.00 0.00 64.21 63.93 1yx4 n SER 62 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 1yx4 h ASP 63 N 5.43 -0.14 0.83 4.04 3.58 -1.96 -2.75 116.42 125.45 1yx4 h ASP 63 Ca 0.16 -0.23 -0.14 0.00 0.42 0.00 0.00 57.03 57.23 1yx4 h ASP 63 Cb 0.76 0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.82 1yx4 h ASP 63 CO 0.76 0.43 -0.68 -2.24 -2.88 0.00 0.00 179.24 174.64 1yx4 h ASP 64 N -1.00 0.00 -0.44 2.28 2.03 -1.98 -2.89 116.42 114.42 1yx4 h ASP 64 Ca -0.02 0.00 -0.03 0.00 -0.73 0.00 0.00 57.03 56.25 1yx4 h ASP 64 Cb 0.36 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.84 1yx4 h ASP 64 CO 0.03 0.68 0.18 0.00 -1.03 0.00 0.00 179.24 179.09 1yx4 h ALA 65 N 1.32 1.40 -0.05 4.15 0.00 -1.94 0.44 119.26 124.59 1yx4 h ALA 65 Ca -0.01 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.63 1yx4 h ALA 65 Cb 1.27 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1yx4 h ALA 65 CO 0.09 0.45 -0.55 -0.07 0.00 0.00 0.00 179.25 179.17 1yx4 h LEU 66 N 0.70 0.16 -0.11 0.00 4.07 -1.31 0.56 115.31 119.38 1yx4 h LEU 66 Ca 0.17 -0.08 -0.24 0.00 0.08 0.00 0.00 57.88 57.80 1yx4 h LEU 66 Cb 0.17 -0.05 0.01 0.00 1.08 0.00 0.00 40.66 41.87 1yx4 h LEU 66 CO -0.01 0.68 -0.96 0.25 -1.08 0.00 0.00 178.44 177.31 1yx4 h LEU 67 N 0.11 0.75 0.00 1.67 6.46 -0.95 -2.52 115.31 120.82 1yx4 h LEU 67 Ca -0.00 -0.58 -0.01 0.00 -0.12 0.00 0.00 57.88 57.17 1yx4 h LEU 67 Cb 1.01 -0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 40.71 1yx4 h LEU 67 CO 0.08 1.38 -0.06 0.50 -0.62 0.00 0.00 178.44 179.72 1yx4 h LYS 68 N 0.34 0.00 -0.92 1.25 1.63 -0.05 -2.90 116.57 115.92 1yx4 h LYS 68 Ca -0.10 0.00 0.10 0.00 -0.85 0.00 0.00 60.65 59.80 1yx4 h LYS 68 Cb 1.60 0.00 -0.08 0.00 -0.60 0.00 0.00 32.23 33.16 1yx4 h LYS 68 CO 0.18 0.68 0.56 0.52 -3.45 0.00 0.00 179.45 177.95 1yx4 h MET 69 N -1.00 0.90 -0.27 1.90 2.86 -0.00 1.21 114.93 120.53 1yx4 h MET 69 Ca -0.01 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 1yx4 h MET 69 Cb 0.70 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1yx4 h MET 69 CO -0.01 0.60 0.01 1.15 1.06 0.00 0.00 176.91 179.72 1yx4 h THR 70 N 0.93 1.25 0.00 2.22 2.02 -1.57 -2.79 112.91 114.97 1yx4 h THR 70 Ca 0.44 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.73 1yx4 h THR 70 Cb 0.39 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1yx4 h THR 70 CO -0.24 0.28 -0.07 -0.29 0.37 0.00 0.00 175.52 175.57 1yx4 h ILE 71 N 0.26 0.00 -0.12 3.11 6.09 -1.17 -2.87 117.51 122.80 1yx4 h ILE 71 Ca 0.08 -0.51 -0.17 0.00 -1.37 0.00 0.00 64.86 62.89 1yx4 h ILE 71 Cb 0.40 1.47 -0.01 0.00 0.47 0.00 0.00 36.82 39.15 1yx4 h ILE 71 CO 0.01 0.00 -0.63 -1.28 -3.07 0.00 0.00 178.15 173.18 1yx4 h SER 72 N 0.00 0.52 0.87 2.19 0.87 0.17 0.19 113.55 118.36 1yx4 h SER 72 Ca 0.00 -0.30 -0.14 0.00 -1.23 0.00 0.00 61.79 60.12 1yx4 h SER 72 Cb 0.76 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.54 1yx4 h SER 72 CO 0.00 1.02 -1.21 1.56 -0.53 0.00 0.00 176.83 177.66 1yx4 h GLN 73 N 0.33 0.00 0.00 2.24 4.20 -1.52 -2.75 115.11 117.61 1yx4 h GLN 73 Ca -0.01 0.00 -0.26 0.00 0.06 0.00 0.00 58.65 58.44 1yx4 h GLN 73 Cb 1.18 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.92 1yx4 h GLN 73 CO 0.11 0.29 -1.48 0.37 -0.67 0.00 0.00 178.83 177.46 1yx4 h GLN 74 N 0.00 0.00 0.03 1.46 4.15 -1.48 -3.36 115.11 115.91 1yx4 h GLN 74 Ca -0.12 0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.01 1yx4 h GLN 74 Cb 1.49 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.14 1yx4 h GLN 74 CO 0.04 0.61 -1.62 1.49 -1.93 0.00 0.00 178.83 177.43 1yx4 h GLU 75 N 0.00 0.06 -5.47 1.69 4.81 -0.75 -3.44 114.58 111.48 1yx4 h GLU 75 Ca -0.20 -0.09 -0.22 0.00 -0.13 0.00 0.00 59.36 58.72 1yx4 h GLU 75 Cb 1.91 0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.33 1yx4 h GLU 75 CO 0.09 0.71 0.79 0.12 -0.73 0.00 0.00 179.01 179.99 1yx4 s PHE 76 N -2.61 1.09 -0.47 0.92 5.36 -1.04 -4.77 117.98 116.46 1yx4 s PHE 76 Ca -0.06 1.82 0.09 0.00 -0.96 0.00 0.00 56.93 57.81 1yx4 s PHE 76 Cb 0.08 -3.49 0.32 0.00 -0.34 0.00 0.00 43.02 39.58 1yx4 s PHE 76 CO 0.82 -2.03 0.76 0.41 -1.46 0.00 0.00 175.22 173.72 1yx4 n GLY 77 N 6.43 4.19 2.80 13.12 0.00 -1.26 -4.97 105.19 125.51 1yx4 n GLY 77 Ca 0.42 -2.11 -0.02 0.00 0.00 0.00 0.00 46.02 44.30 1yx4 n GLY 77 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yx4 n ARG 78 N 0.41 -3.12 -1.11 1.61 5.12 -1.26 -4.90 116.66 113.41 1yx4 n ARG 78 Ca 0.27 2.52 -0.16 0.00 -1.93 0.00 0.00 57.85 58.54 1yx4 n ARG 78 Cb 0.53 -3.85 0.16 0.00 -1.16 0.00 0.00 32.46 28.14 1yx4 n ARG 78 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1yx4 n THR 79 N 1.52 2.90 -0.53 0.55 -1.04 -1.26 -4.54 114.28 111.87 1yx4 n THR 79 Ca -0.17 -2.66 0.06 0.00 -2.04 0.00 0.00 64.05 59.24 1yx4 n THR 79 Cb 0.33 -0.54 0.33 0.00 -1.82 0.00 0.00 70.33 68.63 1yx4 n THR 79 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yx4 n GLY 80 N -1.07 2.68 3.15 3.41 0.00 -1.26 -4.76 105.19 107.33 1yx4 n GLY 80 Ca 0.46 -0.76 0.05 0.00 0.00 0.00 0.00 46.02 45.78 1yx4 n GLY 80 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1yx4 s LEU 81 N -2.20 -0.54 -0.37 0.99 0.05 -1.26 -5.11 118.68 110.24 1yx4 s LEU 81 Ca 0.45 0.18 -0.29 0.00 0.05 0.00 0.00 54.13 54.53 1yx4 s LEU 81 Cb 0.34 1.39 -0.00 0.00 -2.05 0.00 0.00 46.19 45.86 1yx4 s LEU 81 CO 0.14 -0.10 1.60 -2.16 -0.55 0.00 0.00 176.35 175.28 1yx4 s PRO 82 N 2.95 3.47 -0.18 1.48 0.04 -1.26 -4.84 135.00 136.65 1yx4 s PRO 82 Ca 0.13 1.19 0.13 0.00 0.04 0.00 0.00 61.00 62.50 1yx4 s PRO 82 Cb -0.07 -4.11 0.39 0.00 0.04 0.00 0.00 34.50 30.76 1yx4 s PRO 82 CO -0.18 -1.69 1.20 -0.25 0.04 0.00 0.00 177.00 176.12 1yx4 n ASP 83 N 9.49 1.74 0.00 6.66 9.92 -1.26 -5.02 116.55 138.08 1yx4 n ASP 83 Ca 0.20 -3.61 0.00 0.00 -0.53 0.00 0.00 54.79 50.85 1yx4 n ASP 83 Cb 0.47 -0.49 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 1yx4 n ASP 83 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1yx4 n LEU 84 N -1.04 0.00 0.07 0.64 4.32 -1.26 -2.86 117.00 116.87 1yx4 n LEU 84 Ca 0.17 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.25 1yx4 n LEU 84 Cb 0.71 0.00 0.40 0.00 -1.62 0.00 0.00 43.42 42.91 1yx4 n LEU 84 CO -0.03 0.00 0.78 -0.24 -1.22 0.00 0.00 177.39 176.68 1yx4 n SER 85 N 0.80 0.36 0.22 -1.43 2.88 -1.26 -2.34 113.62 112.84 1yx4 n SER 85 Ca 0.00 0.60 0.11 0.00 -1.33 0.00 0.00 58.87 58.24 1yx4 n SER 85 Cb 0.00 -0.67 0.41 0.00 -0.75 0.00 0.00 64.21 63.20 1yx4 n SER 85 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1yx4 h SER 86 N 0.00 0.00 -2.10 -3.46 0.87 -1.89 -3.45 113.55 103.52 1yx4 h SER 86 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1yx4 h SER 86 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1yx4 h SER 86 CO 0.00 0.19 0.00 1.15 -0.53 0.00 0.00 176.83 177.64 1yx4 n MET 87 N -3.29 2.90 -2.82 2.24 0.00 -0.99 -4.96 117.12 110.19 1yx4 n MET 87 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 57.70 57.52 1yx4 n MET 87 Cb 0.46 0.00 0.02 0.00 0.00 0.00 0.00 33.22 33.70 1yx4 n MET 87 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 1yx4 s THR 88 N 1.13 2.83 0.34 3.17 -4.23 -1.26 -4.96 115.64 112.66 1yx4 s THR 88 Ca 0.00 -0.83 0.02 0.00 -1.18 0.00 0.00 61.69 59.70 1yx4 s THR 88 Cb 0.00 -3.00 0.27 0.00 1.34 0.00 0.00 72.50 71.12 1yx4 s THR 88 CO 0.00 0.00 1.98 1.05 -0.54 0.00 0.00 174.62 177.11 1yx4 h GLU 89 N 0.35 0.88 -0.18 3.99 4.11 -1.98 -1.68 114.58 120.07 1yx4 h GLU 89 Ca -0.41 -0.05 -0.16 0.00 0.07 0.00 0.00 59.36 58.81 1yx4 h GLU 89 Cb 1.29 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1yx4 h GLU 89 CO 0.48 0.58 -0.54 0.93 0.07 0.00 0.00 179.01 180.53 1yx4 h GLU 90 N 0.91 0.53 0.47 1.06 5.08 -1.98 -1.92 114.58 118.73 1yx4 h GLU 90 Ca 0.28 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1yx4 h GLU 90 Cb 0.01 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1yx4 h GLU 90 CO -0.08 0.94 -0.39 0.93 -1.00 0.00 0.00 179.01 179.41 1yx4 h GLU 91 N 0.41 -0.83 -0.29 2.33 4.39 -1.69 0.44 114.58 119.35 1yx4 h GLU 91 Ca 0.01 0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 1yx4 h GLU 91 Cb 1.08 0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 1yx4 h GLU 91 CO 0.10 -0.55 0.16 1.96 -1.16 0.00 0.00 179.01 179.52 1yx4 h GLN 92 N -0.86 0.38 -0.63 2.33 4.20 -1.53 -1.55 115.11 117.46 1yx4 h GLN 92 Ca -0.05 -0.03 -0.07 0.00 0.06 0.00 0.00 58.65 58.56 1yx4 h GLN 92 Cb 0.74 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 1yx4 h GLN 92 CO -0.01 0.28 0.10 0.82 -0.67 0.00 0.00 178.83 179.35 1yx4 h ILE 93 N 0.39 1.26 0.00 2.54 2.04 -0.44 -0.71 117.51 122.59 1yx4 h ILE 93 Ca 0.10 -1.01 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 1yx4 h ILE 93 Cb 0.00 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1yx4 h ILE 93 CO -0.02 0.38 -0.08 0.00 0.00 0.00 0.00 178.15 178.43 1yx4 h ALA 94 N 1.03 1.21 0.11 1.87 0.00 0.86 0.37 119.26 124.72 1yx4 h ALA 94 Ca 0.19 -0.07 -0.32 0.00 0.00 0.00 0.00 54.91 54.71 1yx4 h ALA 94 Cb 0.43 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1yx4 h ALA 94 CO 0.01 0.09 -1.67 -0.92 0.00 0.00 0.00 179.25 176.77 1yx4 h TYR 95 N 0.00 0.43 0.04 0.00 3.20 -1.06 -2.73 116.97 116.84 1yx4 h TYR 95 Ca -0.00 -0.31 -0.25 0.00 3.14 0.00 0.00 58.73 61.30 1yx4 h TYR 95 Cb 0.28 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.51 1yx4 h TYR 95 CO 0.00 1.44 -1.28 0.00 -1.64 0.00 0.00 178.16 176.68 1yx4 h ALA 96 N 0.43 0.39 0.00 1.82 0.00 -0.76 -2.71 119.26 118.44 1yx4 h ALA 96 Ca -0.29 -1.06 -0.18 0.00 0.00 0.00 0.00 54.91 53.37 1yx4 h ALA 96 Cb 2.03 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.88 1yx4 h ALA 96 CO 0.14 1.26 -0.92 0.52 0.00 0.00 0.00 179.25 180.25 1yx4 h MET 97 N 0.02 0.00 0.09 0.00 2.86 -0.42 -2.87 114.93 114.61 1yx4 h MET 97 Ca -0.13 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.30 1yx4 h MET 97 Cb 1.89 0.00 0.02 0.00 0.06 0.00 0.00 31.60 33.58 1yx4 h MET 97 CO 0.13 0.79 -0.87 0.37 1.06 0.00 0.00 176.91 178.39 1yx4 h GLN 98 N 0.00 0.43 -0.03 1.72 5.75 -1.57 -2.42 115.11 118.99 1yx4 h GLN 98 Ca -0.03 -0.59 -0.07 0.00 -0.15 0.00 0.00 58.65 57.81 1yx4 h GLN 98 Cb 1.67 0.20 -0.01 0.00 1.07 0.00 0.00 27.48 30.40 1yx4 h GLN 98 CO 0.10 1.24 -0.31 1.98 -2.65 0.00 0.00 178.83 179.19 1yx4 h MET 99 N -0.09 0.05 0.00 1.69 4.05 -1.58 -2.32 114.93 116.72 1yx4 h MET 99 Ca -0.13 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.26 1yx4 h MET 99 Cb 1.62 -0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.41 1yx4 h MET 99 CO 0.17 0.36 -0.17 1.03 0.23 0.00 0.00 176.91 178.53 1yx4 h SER 100 N 0.04 0.00 0.00 1.39 0.87 -1.54 -3.37 113.55 110.94 1yx4 h SER 100 Ca 0.00 0.00 -0.64 0.00 -1.23 0.00 0.00 61.79 59.93 1yx4 h SER 100 Cb 0.57 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.56 1yx4 h SER 100 CO 0.04 0.03 3.71 -0.11 -0.53 0.00 0.00 176.83 179.98 1yx4 n LEU 101 N -3.05 8.31 0.00 2.23 7.94 -0.87 -4.12 117.00 127.44 1yx4 n LEU 101 Ca 0.03 -4.19 0.00 0.00 -1.11 0.00 0.00 56.01 50.74 1yx4 n LEU 101 Cb 0.55 -1.51 0.00 0.00 0.53 0.00 0.00 43.42 42.99 1yx4 n LEU 101 CO 0.35 1.89 0.00 0.00 -1.11 0.00 0.00 177.39 178.53 1yx4 n GLN 102 N 3.69 0.00 -1.28 1.96 6.02 -1.26 -5.01 117.38 121.50 1yx4 n GLN 102 Ca 0.75 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.73 1yx4 n GLN 102 Cb 0.22 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.48 1yx4 n GLN 102 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1yx4 n GLY 103 N -1.14 -0.74 3.06 1.08 0.00 -1.26 -5.08 105.19 101.12 1yx4 n GLY 103 Ca 0.00 -0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1yx4 n GLY 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx4 s ALA 104 N 0.00 4.06 -0.45 4.61 0.00 -1.26 -4.98 121.76 123.76 1yx4 s ALA 104 Ca 0.00 -3.75 0.02 0.00 0.00 0.00 0.00 51.96 48.23 1yx4 s ALA 104 Cb 0.02 -2.67 0.14 0.00 0.00 0.00 0.00 23.12 20.60 1yx4 s ALA 104 CO -0.00 -2.13 0.26 -1.21 0.00 0.00 0.00 175.76 172.67 1yx4 s GLU 105 N -1.18 1.27 -0.11 0.00 2.02 -1.26 -4.86 118.70 114.58 1yx4 s GLU 105 Ca 0.25 -2.03 -0.24 0.00 0.02 0.00 0.00 54.97 52.97 1yx4 s GLU 105 Cb -0.09 -2.26 -0.21 0.00 0.10 0.00 0.00 34.13 31.67 1yx4 s GLU 105 CO -0.12 -1.19 0.73 0.74 0.02 0.00 0.00 175.26 175.45 1yx4 h PHE 106 N 6.61 -0.02 -4.21 1.61 0.04 -2.04 -3.49 116.94 115.44 1yx4 h PHE 106 Ca 0.02 -0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.66 1yx4 h PHE 106 Cb 0.92 0.01 0.10 0.00 2.20 0.00 0.00 35.95 39.18 1yx4 h PHE 106 CO 0.48 0.71 -0.44 0.41 -0.60 0.00 0.00 178.31 178.87 1yx4 n GLY 107 N 1.36 -0.13 2.64 -1.45 0.00 -1.26 -4.93 105.19 101.43 1yx4 n GLY 107 Ca -0.08 0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 1yx4 n GLY 107 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1yx4 n GLN 108 N -2.41 4.60 0.01 1.61 7.27 -1.26 -4.55 117.38 122.65 1yx4 n GLN 108 Ca -0.05 -3.87 -0.01 0.00 0.07 0.00 0.00 57.00 53.14 1yx4 n GLN 108 Cb 0.56 -2.64 -0.00 0.00 2.41 0.00 0.00 30.24 30.58 1yx4 n GLN 108 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1yx4 n ALA 109 N 1.66 2.53 -0.06 1.69 0.00 -1.26 -4.78 120.51 120.30 1yx4 n ALA 109 Ca 0.51 -0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.75 1yx4 n ALA 109 Cb 0.28 0.13 0.09 0.00 0.00 0.00 0.00 19.45 19.96 1yx4 n ALA 109 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1yx4 h GLU 110 N -0.12 0.71 -6.07 0.00 4.57 -2.01 -3.44 114.58 108.22 1yx4 h GLU 110 Ca 0.00 -0.31 -0.58 0.00 -1.18 0.00 0.00 59.36 57.29 1yx4 h GLU 110 Cb 0.12 -0.02 -0.11 0.00 -0.16 0.00 0.00 28.75 28.58 1yx4 h GLU 110 CO 0.00 0.91 -0.63 -1.12 -1.18 0.00 0.00 179.01 176.99 1yx4 s SER 111 N -6.79 4.21 0.00 1.04 0.01 -1.26 -5.29 113.70 105.62 1yx4 s SER 111 Ca -0.09 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.24 1yx4 s SER 111 Cb 0.13 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.79 1yx4 s SER 111 CO 0.83 -0.18 0.00 0.00 0.41 0.00 0.00 173.24 174.30