#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 0.00 -0.61 -0.41 2.00 -1.26 -5.02 117.12 111.82 1yx4 n MET 2 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 57.70 57.75 1yx4 n MET 2 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 33.22 33.49 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 0.00 4.34 -2.79 4.03 4.77 -1.26 -4.64 117.00 121.46 1yx4 n LEU 3 Ca 0.00 -3.16 -0.36 0.00 -0.03 0.00 0.00 56.01 52.46 1yx4 n LEU 3 Cb 0.00 -0.60 0.03 0.00 -2.33 0.00 0.00 43.42 40.52 1yx4 n LEU 3 CO 0.00 0.78 1.19 0.61 -1.33 0.00 0.00 177.39 178.64 1yx4 n GLY 4 N -0.49 5.66 2.61 -0.72 0.00 -1.26 -4.88 105.19 106.12 1yx4 n GLY 4 Ca 0.26 -2.55 -0.32 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.54 6.14 -2.70 0.99 4.77 -1.26 -4.38 117.00 120.02 1yx4 n LEU 5 Ca 0.50 -3.47 -0.04 0.00 -0.03 0.00 0.00 56.01 52.98 1yx4 n LEU 5 Cb 0.36 -1.30 0.03 0.00 -2.33 0.00 0.00 43.42 40.18 1yx4 n LEU 5 CO 0.47 0.95 0.36 0.61 -1.33 0.00 0.00 177.39 178.45 1yx4 n GLY 6 N 3.87 -1.23 0.00 -0.72 0.00 -1.26 -4.97 105.19 100.88 1yx4 n GLY 6 Ca 0.56 0.91 0.00 0.00 0.00 0.00 0.00 46.02 47.49 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 2.49 -0.36 0.08 4.61 0.00 -1.26 -2.54 120.51 123.53 1yx4 n ALA 7 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.58 1yx4 n ALA 7 Cb 0.63 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.05 1yx4 n ALA 7 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1yx4 h SER 8 N 0.00 0.00 -0.89 0.00 0.87 -1.98 -3.33 113.55 108.22 1yx4 h SER 8 Ca 0.00 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1yx4 h SER 8 Cb 0.00 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 1yx4 h SER 8 CO 0.00 0.51 0.49 -0.78 -0.53 0.00 0.00 176.83 176.52 1yx4 h ASP 9 N 0.00 1.11 -3.05 6.23 1.82 -1.95 -3.29 116.42 117.29 1yx4 h ASP 9 Ca -0.08 -0.10 -0.78 0.00 -0.39 0.00 0.00 57.03 55.68 1yx4 h ASP 9 Cb 1.46 -0.28 -0.24 0.00 0.68 0.00 0.00 39.33 40.94 1yx4 h ASP 9 CO 0.05 0.89 0.79 0.33 -1.61 0.00 0.00 179.24 179.69 1yx4 n PHE 10 N -4.33 5.15 -2.75 0.28 -0.00 -1.05 -4.94 117.46 109.81 1yx4 n PHE 10 Ca 0.09 -3.70 -0.44 0.00 -0.00 0.00 0.00 57.45 53.41 1yx4 n PHE 10 Cb 0.10 -1.88 0.00 0.00 -0.00 0.00 0.00 39.48 37.70 1yx4 n PHE 10 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1yx4 n GLU 11 N 3.72 3.36 0.03 -4.13 1.02 -1.24 -4.28 120.64 119.11 1yx4 n GLU 11 Ca 0.29 -3.65 0.00 0.00 -0.02 0.00 0.00 57.16 53.77 1yx4 n GLU 11 Cb 0.40 -3.12 0.00 0.00 -0.02 0.00 0.00 31.44 28.71 1yx4 n GLU 11 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1yx4 n PHE 12 N 5.90 -1.89 -1.47 -0.32 3.72 -1.26 -4.68 117.46 117.46 1yx4 n PHE 12 Ca 0.40 0.17 -0.05 0.00 -0.05 0.00 0.00 57.45 57.92 1yx4 n PHE 12 Cb 0.42 0.82 0.20 0.00 -0.94 0.00 0.00 39.48 39.98 1yx4 n PHE 12 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yx4 n GLY 13 N -0.37 4.92 0.00 1.37 0.00 -1.26 -4.58 105.19 105.26 1yx4 n GLY 13 Ca 0.00 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.13 0.00 -4.51 1.61 0.24 -1.26 -5.08 118.33 108.20 1yx4 n VAL 14 Ca 0.34 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 62.43 1yx4 n VAL 14 Cb 1.05 -0.33 -0.14 0.00 -1.47 0.00 0.00 33.84 32.94 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 -3.30 1.68 0.29 -1.34 1.11 -1.26 -5.01 116.67 108.84 1yx4 s ASP 15 Ca 0.00 -0.36 0.25 0.00 0.18 0.00 0.00 52.55 52.62 1yx4 s ASP 15 Cb 0.00 -0.15 1.01 0.00 1.07 0.00 0.00 42.92 44.86 1yx4 s ASP 15 CO 0.00 0.11 1.74 1.55 1.18 0.00 0.00 175.17 179.75 1yx4 h PRO 16 N 5.37 0.00 0.00 8.23 0.13 -1.93 -2.88 132.00 140.92 1yx4 h PRO 16 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1yx4 h PRO 16 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1yx4 h PRO 16 CO 0.46 0.00 0.00 0.77 -0.23 0.00 0.00 178.00 179.00 1yx4 h SER 17 N 0.00 0.00 -0.87 1.44 0.02 -1.97 -2.60 113.55 109.57 1yx4 h SER 17 Ca 0.00 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1yx4 h SER 17 Cb 0.40 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 1yx4 h SER 17 CO 0.00 0.00 0.57 0.00 -1.14 0.00 0.00 176.83 176.26 1yx4 h ALA 18 N 2.05 1.51 -1.08 3.77 0.00 -1.78 -3.42 119.26 120.31 1yx4 h ALA 18 Ca 0.00 -0.03 0.17 0.00 0.00 0.00 0.00 54.91 55.05 1yx4 h ALA 18 Cb 0.15 -0.27 -0.24 0.00 0.00 0.00 0.00 17.79 17.42 1yx4 h ALA 18 CO 0.00 0.38 0.21 -0.51 0.00 0.00 0.00 179.25 179.33 1yx4 s ASP 19 N -6.10 -0.60 0.16 0.00 1.01 -0.98 -5.03 116.67 105.12 1yx4 s ASP 19 Ca -0.11 0.83 -0.02 0.00 0.71 0.00 0.00 52.55 53.96 1yx4 s ASP 19 Cb 0.19 1.67 -0.01 0.00 1.01 0.00 0.00 42.92 45.78 1yx4 s ASP 19 CO 0.79 -0.12 1.38 1.55 0.21 0.00 0.00 175.17 178.98 1yx4 h PRO 20 N 7.46 0.38 -0.81 8.23 0.13 -1.84 -2.96 132.00 142.59 1yx4 h PRO 20 Ca -0.16 -0.36 -0.02 0.00 -0.87 0.00 0.00 66.00 64.60 1yx4 h PRO 20 Cb 1.12 0.09 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1yx4 h PRO 20 CO 0.09 1.02 0.45 1.49 -0.23 0.00 0.00 178.00 180.81 1yx4 h GLU 21 N 0.23 1.12 -0.00 0.86 4.81 -1.96 -2.06 114.58 117.59 1yx4 h GLU 21 Ca -0.05 -0.13 -0.14 0.00 -0.13 0.00 0.00 59.36 58.91 1yx4 h GLU 21 Cb 1.44 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 30.57 1yx4 h GLU 21 CO 0.14 0.82 -0.66 -0.07 -0.73 0.00 0.00 179.01 178.51 1yx4 h LEU 22 N 1.13 0.02 0.42 1.64 4.07 -1.96 -2.42 115.31 118.21 1yx4 h LEU 22 Ca 0.29 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.21 1yx4 h LEU 22 Cb 0.02 -0.01 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1yx4 h LEU 22 CO -0.05 0.68 -0.20 0.00 -1.08 0.00 0.00 178.44 177.79 1yx4 h ALA 23 N 1.32 -0.57 -0.35 1.53 0.00 -1.21 -2.14 119.26 117.84 1yx4 h ALA 23 Ca -0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1yx4 h ALA 23 Cb 1.18 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.17 1yx4 h ALA 23 CO 0.09 -0.73 0.01 1.25 0.00 0.00 0.00 179.25 179.87 1yx4 h LEU 24 N -0.75 0.51 -0.11 0.00 5.85 -1.52 -2.78 115.31 116.52 1yx4 h LEU 24 Ca -0.06 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1yx4 h LEU 24 Cb 0.52 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 1yx4 h LEU 24 CO 0.10 0.58 0.01 0.00 -0.34 0.00 0.00 178.44 178.79 1yx4 h ALA 25 N 1.49 0.10 0.00 1.25 0.00 -1.28 0.15 119.26 120.97 1yx4 h ALA 25 Ca 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1yx4 h ALA 25 Cb 0.33 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1yx4 h ALA 25 CO 0.01 -0.45 -0.09 1.25 0.00 0.00 0.00 179.25 179.97 1yx4 h LEU 26 N 0.05 0.00 0.00 0.00 7.12 -1.18 -1.21 115.31 120.10 1yx4 h LEU 26 Ca 0.05 0.00 -0.12 0.00 0.13 0.00 0.00 57.88 57.94 1yx4 h LEU 26 Cb 0.05 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.16 1yx4 h LEU 26 CO -0.08 0.09 -0.72 0.03 -0.13 0.00 0.00 178.44 177.63 1yx4 h ARG 27 N 0.00 0.00 0.10 1.25 3.08 -0.97 -2.84 114.38 115.01 1yx4 h ARG 27 Ca -0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1yx4 h ARG 27 Cb 0.21 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.29 1yx4 h ARG 27 CO 0.01 0.46 -1.22 0.28 -1.07 0.00 0.00 179.97 178.44 1yx4 h VAL 28 N 0.00 1.30 -0.24 2.04 2.07 0.40 -2.70 116.25 119.12 1yx4 h VAL 28 Ca -0.04 -2.47 -0.12 0.00 0.82 0.00 0.00 66.70 64.89 1yx4 h VAL 28 Cb 1.43 2.66 -0.00 0.00 -1.52 0.00 0.00 31.29 33.86 1yx4 h VAL 28 CO 0.06 0.75 -0.32 0.28 0.02 0.00 0.00 177.57 178.36 1yx4 h SER 29 N 0.28 0.69 -0.61 0.57 0.02 -1.44 -2.82 113.55 110.23 1yx4 h SER 29 Ca -0.18 -0.51 -0.03 0.00 -0.84 0.00 0.00 61.79 60.24 1yx4 h SER 29 Cb 1.89 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 64.20 1yx4 h SER 29 CO 0.23 1.06 0.28 -0.03 -1.14 0.00 0.00 176.83 177.23 1yx4 h MET 30 N 0.34 0.93 -0.67 3.45 -1.53 -1.59 -2.32 114.93 113.54 1yx4 h MET 30 Ca 0.03 -0.14 -0.05 0.00 -3.44 0.00 0.00 59.70 56.10 1yx4 h MET 30 Cb 0.90 -0.17 -0.03 0.00 -0.55 0.00 0.00 31.60 31.75 1yx4 h MET 30 CO 0.07 0.75 0.22 1.49 0.14 0.00 0.00 176.91 179.58 1yx4 h GLU 31 N 0.92 1.01 -0.81 0.39 4.57 -1.41 -2.58 114.58 116.68 1yx4 h GLU 31 Ca 0.22 -0.20 -0.02 0.00 -1.18 0.00 0.00 59.36 58.18 1yx4 h GLU 31 Cb 0.15 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 28.54 1yx4 h GLU 31 CO -0.02 0.86 0.41 0.93 -1.18 0.00 0.00 179.01 180.01 1yx4 h GLU 32 N 0.98 1.15 -0.77 1.92 5.08 -1.16 -1.55 114.58 120.23 1yx4 h GLU 32 Ca 0.22 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1yx4 h GLU 32 Cb 0.26 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 1yx4 h GLU 32 CO -0.01 0.87 0.40 1.96 -1.00 0.00 0.00 179.01 181.24 1yx4 h GLN 33 N 1.14 1.08 -0.20 2.33 4.20 -1.21 -2.23 115.11 120.22 1yx4 h GLN 33 Ca 0.28 -0.13 -0.14 0.00 0.06 0.00 0.00 58.65 58.72 1yx4 h GLN 33 Cb 0.08 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 1yx4 h GLN 33 CO -0.04 0.80 -0.46 -0.09 -0.67 0.00 0.00 178.83 178.38 1yx4 h ARG 34 N 1.08 0.50 -0.75 1.46 9.65 -1.16 -2.77 114.38 122.40 1yx4 h ARG 34 Ca 0.27 -0.27 0.03 0.00 -1.10 0.00 0.00 59.98 58.90 1yx4 h ARG 34 Cb 0.05 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 28.61 1yx4 h ARG 34 CO -0.04 0.86 0.49 1.96 2.80 0.00 0.00 179.97 186.04 1yx4 h GLN 35 N 0.40 0.92 -0.15 0.20 4.20 -0.69 -0.04 115.11 119.95 1yx4 h GLN 35 Ca 0.03 -0.06 -0.20 0.00 0.06 0.00 0.00 58.65 58.48 1yx4 h GLN 35 Cb 0.96 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.53 1yx4 h GLN 35 CO 0.08 0.61 -0.70 0.00 -0.67 0.00 0.00 178.83 178.15 1yx4 h ARG 36 N 0.94 0.66 0.00 1.46 3.08 -1.32 -2.31 114.38 116.89 1yx4 h ARG 36 Ca 0.29 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1yx4 h ARG 36 Cb -0.00 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1yx4 h ARG 36 CO -0.08 1.13 0.00 1.96 -1.07 0.00 0.00 179.97 181.91 1yx4 h GLN 37 N 0.47 0.00 0.00 0.04 4.20 -1.09 -2.59 115.11 116.14 1yx4 h GLN 37 Ca -0.03 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 1yx4 h GLN 37 Cb 1.30 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.08 1yx4 h GLN 37 CO 0.14 0.00 -0.30 1.49 -0.67 0.00 0.00 178.83 179.49 1yx4 h GLU 38 N 0.00 0.00 -0.68 1.46 4.57 -0.87 0.83 114.58 119.89 1yx4 h GLU 38 Ca 0.00 0.00 0.17 0.00 -1.18 0.00 0.00 59.36 58.35 1yx4 h GLU 38 Cb 0.59 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.15 1yx4 h GLU 38 CO 0.00 0.40 0.47 0.93 -1.18 0.00 0.00 179.01 179.63 1yx4 h GLU 39 N -1.00 0.18 0.12 1.92 5.08 -1.47 0.47 114.58 119.87 1yx4 h GLU 39 Ca -0.05 -0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 57.99 1yx4 h GLU 39 Cb 0.55 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1yx4 h GLU 39 CO -0.03 0.12 -1.54 1.49 -1.00 0.00 0.00 179.01 178.04 1yx4 h GLU 40 N 0.18 0.24 0.28 2.33 4.57 -1.56 -2.84 114.58 117.78 1yx4 h GLU 40 Ca 0.33 -0.42 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1yx4 h GLU 40 Cb 1.04 0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1yx4 h GLU 40 CO -0.06 1.10 -0.13 0.00 -1.18 0.00 0.00 179.01 178.74 1yx4 h ALA 41 N 0.49 -0.38 -0.56 2.92 0.00 0.14 -2.82 119.26 119.05 1yx4 h ALA 41 Ca -0.25 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.48 1yx4 h ALA 41 Cb 2.01 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.92 1yx4 h ALA 41 CO 0.16 -0.47 0.37 0.00 0.00 0.00 0.00 179.25 179.31 1yx4 h ARG 42 N -0.86 0.70 -0.27 0.00 3.08 -0.34 0.12 114.38 116.81 1yx4 h ARG 42 Ca -0.04 -0.04 0.02 0.00 0.07 0.00 0.00 59.98 59.99 1yx4 h ARG 42 Cb 0.51 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1yx4 h ARG 42 CO 0.06 0.47 0.11 0.00 -1.07 0.00 0.00 179.97 179.54 1yx4 h ARG 43 N 0.72 0.24 0.00 0.04 3.08 -1.48 0.17 114.38 117.16 1yx4 h ARG 43 Ca 0.21 -0.01 -0.17 0.00 0.07 0.00 0.00 59.98 60.08 1yx4 h ARG 43 Cb -0.03 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1yx4 h ARG 43 CO -0.05 0.16 -0.79 0.00 -1.07 0.00 0.00 179.97 178.22 1yx4 h ALA 44 N 1.15 0.62 -0.05 0.04 0.00 -1.17 -2.83 119.26 117.02 1yx4 h ALA 44 Ca 0.12 -0.72 -0.09 0.00 0.00 0.00 0.00 54.91 54.21 1yx4 h ALA 44 Cb 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1yx4 h ALA 44 CO -0.10 0.99 -0.39 0.00 0.00 0.00 0.00 179.25 179.75 1yx4 h ALA 45 N 1.21 1.26 0.21 0.00 0.00 -0.28 -2.00 119.26 119.66 1yx4 h ALA 45 Ca -0.01 -0.37 -0.32 0.00 0.00 0.00 0.00 54.91 54.21 1yx4 h ALA 45 Cb 1.47 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 19.20 1yx4 h ALA 45 CO 0.10 0.53 -1.44 0.00 0.00 0.00 0.00 179.25 178.45 1yx4 h ALA 46 N 1.51 -0.04 0.00 0.00 0.00 -0.95 -1.65 119.26 118.13 1yx4 h ALA 46 Ca 0.01 -0.90 -0.08 0.00 0.00 0.00 0.00 54.91 53.94 1yx4 h ALA 46 Cb 0.73 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1yx4 h ALA 46 CO 0.05 0.83 -0.37 0.00 0.00 0.00 0.00 179.25 179.76 1yx4 h ALA 47 N 0.30 1.32 0.12 0.00 0.00 -1.39 -2.81 119.26 116.79 1yx4 h ALA 47 Ca -0.23 -0.33 -0.33 0.00 0.00 0.00 0.00 54.91 54.02 1yx4 h ALA 47 Cb 2.10 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 1yx4 h ALA 47 CO 0.24 0.46 -1.76 1.03 0.00 0.00 0.00 179.25 179.23 1yx4 h SER 48 N 0.00 0.38 0.15 0.00 0.87 -1.42 -3.21 113.55 110.32 1yx4 h SER 48 Ca -0.00 -0.67 -0.01 0.00 -1.23 0.00 0.00 61.79 59.87 1yx4 h SER 48 Cb 0.68 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1yx4 h SER 48 CO 0.05 1.58 -0.05 0.00 -0.53 0.00 0.00 176.83 177.88 1yx4 h ALA 49 N 0.36 1.41 -0.41 6.23 0.00 -1.22 -1.33 119.26 124.30 1yx4 h ALA 49 Ca -0.33 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1yx4 h ALA 49 Cb 2.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1yx4 h ALA 49 CO 0.13 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1yx4 n ALA 50 N -2.30 3.04 -0.08 0.00 0.00 -1.07 -3.48 120.51 116.63 1yx4 n ALA 50 Ca -0.02 -1.92 -0.10 0.00 0.00 0.00 0.00 53.44 51.40 1yx4 n ALA 50 Cb 0.14 -0.80 -0.15 0.00 0.00 0.00 0.00 19.45 18.64 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 0.17 0.67 -0.41 0.00 2.13 -0.50 -4.56 120.64 118.15 1yx4 n GLU 51 Ca 0.22 0.08 0.00 0.00 0.66 0.00 0.00 57.16 58.12 1yx4 n GLU 51 Cb 0.87 -1.59 0.00 0.00 0.27 0.00 0.00 31.44 30.99 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 -2.74 1.82 -0.06 4.31 0.00 -1.24 -4.90 120.51 117.70 1yx4 n ALA 52 Ca -0.30 -0.78 -0.12 0.00 0.00 0.00 0.00 53.44 52.25 1yx4 n ALA 52 Cb 1.12 -0.35 -0.05 0.00 0.00 0.00 0.00 19.45 20.18 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 0.00 -0.19 0.00 0.00 0.00 -1.23 -5.11 105.19 98.67 1yx4 n GLY 53 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1yx4 n GLY 53 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1yx4 n ILE 54 N -3.38 0.00 0.00 -0.61 -5.35 -1.26 -5.00 119.36 103.76 1yx4 n ILE 54 Ca -0.23 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 1yx4 n ILE 54 Cb 0.68 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.58 1yx4 n ILE 54 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1yx4 n ALA 55 N -3.00 0.00 -1.91 -1.28 0.00 -1.26 -4.67 120.51 108.39 1yx4 n ALA 55 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 1yx4 n ALA 55 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1yx4 n ALA 55 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1yx4 n THR 56 N 0.00 1.37 -4.24 0.00 -2.24 -1.26 -4.82 114.28 103.08 1yx4 n THR 56 Ca 0.00 -1.42 -0.19 0.00 -2.27 0.00 0.00 64.05 60.18 1yx4 n THR 56 Cb 0.00 -2.12 -0.07 0.00 -2.10 0.00 0.00 70.33 66.04 1yx4 n THR 56 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1yx4 n THR 57 N 8.15 0.00 -2.58 4.28 -2.24 -1.26 -5.08 114.28 115.55 1yx4 n THR 57 Ca 0.44 -2.31 -0.08 0.00 -2.27 0.00 0.00 64.05 59.83 1yx4 n THR 57 Cb 0.47 1.19 0.04 0.00 -2.10 0.00 0.00 70.33 69.93 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 -0.62 3.22 2.64 3.38 0.00 -1.26 -4.95 105.19 107.59 1yx4 n GLY 58 Ca 0.06 -1.59 -0.41 0.00 0.00 0.00 0.00 46.02 44.08 1yx4 n GLY 58 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1yx4 n THR 59 N -0.58 4.55 -1.76 2.61 5.66 -1.26 -4.69 114.28 118.80 1yx4 n THR 59 Ca 0.19 -3.96 -0.33 0.00 -3.05 0.00 0.00 64.05 56.90 1yx4 n THR 59 Cb 0.84 -2.33 0.05 0.00 -1.55 0.00 0.00 70.33 67.35 1yx4 n THR 59 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1yx4 n GLU 60 N 3.35 3.00 -0.03 1.09 2.13 -1.26 -4.57 120.64 124.36 1yx4 n GLU 60 Ca 0.54 -3.69 -0.12 0.00 0.66 0.00 0.00 57.16 54.55 1yx4 n GLU 60 Cb 0.31 -2.28 -0.14 0.00 0.27 0.00 0.00 31.44 29.60 1yx4 n GLU 60 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1yx4 n ASP 61 N -0.73 1.15 -3.98 4.31 2.03 -1.26 -4.64 116.55 113.43 1yx4 n ASP 61 Ca 0.54 0.30 -0.31 0.00 0.52 0.00 0.00 54.79 55.83 1yx4 n ASP 61 Cb 0.63 -0.18 -0.12 0.00 -0.72 0.00 0.00 41.12 40.74 1yx4 n ASP 61 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1yx4 s SER 62 N -6.29 4.82 0.49 1.67 0.01 -1.26 -4.92 113.70 108.22 1yx4 s SER 62 Ca -0.11 -3.31 0.15 0.00 1.31 0.00 0.00 55.95 53.99 1yx4 s SER 62 Cb 0.07 -1.71 1.17 0.00 0.21 0.00 0.00 66.02 65.76 1yx4 s SER 62 CO 0.80 -0.21 2.10 0.44 0.41 0.00 0.00 173.24 176.78 1yx4 h ASP 63 N 6.23 0.14 0.94 2.44 3.32 -1.93 -0.25 116.42 127.31 1yx4 h ASP 63 Ca 0.02 -0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.93 1yx4 h ASP 63 Cb 0.85 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.35 1yx4 h ASP 63 CO 0.72 0.10 -0.68 0.44 -1.72 0.00 0.00 179.24 178.10 1yx4 h ASP 64 N 0.16 0.00 -0.72 6.45 3.32 -1.99 -2.90 116.42 120.74 1yx4 h ASP 64 Ca 0.09 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1yx4 h ASP 64 Cb 0.14 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1yx4 h ASP 64 CO -0.01 0.68 0.30 0.00 -1.72 0.00 0.00 179.24 178.49 1yx4 h ALA 65 N 1.32 0.94 -0.06 3.45 0.00 -1.45 0.41 119.26 123.86 1yx4 h ALA 65 Ca -0.01 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1yx4 h ALA 65 Cb 1.33 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1yx4 h ALA 65 CO 0.09 0.55 -0.30 -0.07 0.00 0.00 0.00 179.25 179.52 1yx4 h LEU 66 N 1.03 0.11 -0.08 0.00 4.07 -1.44 0.59 115.31 119.60 1yx4 h LEU 66 Ca 0.24 -0.03 -0.19 0.00 0.08 0.00 0.00 57.88 57.98 1yx4 h LEU 66 Cb 0.20 -0.03 0.01 0.00 1.08 0.00 0.00 40.66 41.92 1yx4 h LEU 66 CO -0.02 0.41 -0.68 0.25 -1.08 0.00 0.00 178.44 177.32 1yx4 h LEU 67 N 0.10 0.73 0.04 1.67 6.46 -1.01 -2.86 115.31 120.44 1yx4 h LEU 67 Ca 0.01 -0.68 -0.00 0.00 -0.12 0.00 0.00 57.88 57.09 1yx4 h LEU 67 Cb 0.59 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 1yx4 h LEU 67 CO 0.04 1.30 -0.02 0.50 -0.62 0.00 0.00 178.44 179.64 1yx4 h LYS 68 N 0.22 -0.05 -1.01 1.25 1.63 0.02 -2.89 116.57 115.74 1yx4 h LYS 68 Ca -0.06 0.00 0.23 0.00 -0.85 0.00 0.00 60.65 59.98 1yx4 h LYS 68 Cb 1.33 0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.87 1yx4 h LYS 68 CO 0.14 0.57 0.63 1.98 -3.45 0.00 0.00 179.45 179.32 1yx4 h MET 69 N -0.92 0.53 -0.26 1.90 4.05 0.05 1.11 114.93 121.39 1yx4 h MET 69 Ca -0.01 -0.03 -0.14 0.00 -0.28 0.00 0.00 59.70 59.25 1yx4 h MET 69 Cb 0.65 -0.12 -0.00 0.00 -0.80 0.00 0.00 31.60 31.33 1yx4 h MET 69 CO 0.01 0.35 -0.37 1.79 0.23 0.00 0.00 176.91 178.92 1yx4 h THR 70 N 0.55 1.31 0.00 -0.77 1.35 -1.58 -2.86 112.91 110.91 1yx4 h THR 70 Ca 0.59 -1.57 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1yx4 h THR 70 Cb 1.23 1.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 1yx4 h THR 70 CO -0.36 0.50 -0.21 0.00 -0.25 0.00 0.00 175.52 175.19 1yx4 n ILE 71 N -4.21 0.30 -0.02 6.82 0.13 -0.14 -2.60 119.36 119.65 1yx4 n ILE 71 Ca -0.05 -0.17 -0.16 0.00 -1.10 0.00 0.00 62.75 61.28 1yx4 n ILE 71 Cb 0.52 -0.34 -0.12 0.00 -0.84 0.00 0.00 39.64 38.85 1yx4 n ILE 71 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 1yx4 h SER 72 N 0.00 0.23 1.51 9.51 4.64 0.13 -0.51 113.55 129.06 1yx4 h SER 72 Ca 0.00 -0.84 -0.08 0.00 -0.47 0.00 0.00 61.79 60.40 1yx4 h SER 72 Cb 0.65 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 1yx4 h SER 72 CO 0.00 1.05 -0.38 1.56 -0.87 0.00 0.00 176.83 178.19 1yx4 h GLN 73 N -0.56 0.00 0.03 4.77 4.20 -1.61 -2.84 115.11 119.10 1yx4 h GLN 73 Ca -0.04 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 1yx4 h GLN 73 Cb 1.11 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 1yx4 h GLN 73 CO 0.06 0.38 -0.70 0.37 -0.67 0.00 0.00 178.83 178.27 1yx4 h GLN 74 N 0.00 0.07 -0.60 1.46 4.15 -1.58 -3.37 115.11 115.25 1yx4 h GLN 74 Ca -0.00 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.28 1yx4 h GLN 74 Cb 1.24 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.95 1yx4 h GLN 74 CO 0.05 1.06 0.32 1.49 -1.93 0.00 0.00 178.83 179.82 1yx4 h GLU 75 N -0.81 0.84 -4.20 1.69 4.57 -1.20 -3.33 114.58 112.15 1yx4 h GLU 75 Ca -0.17 -0.10 -0.76 0.00 -1.18 0.00 0.00 59.36 57.15 1yx4 h GLU 75 Cb 1.29 -0.16 -0.23 0.00 -0.16 0.00 0.00 28.75 29.48 1yx4 h GLU 75 CO -0.04 0.65 0.51 0.12 -1.18 0.00 0.00 179.01 179.07 1yx4 s PHE 76 N -5.83 3.66 -0.00 0.92 5.36 -1.07 -4.72 117.98 116.30 1yx4 s PHE 76 Ca -0.13 -1.99 -0.02 0.00 -0.96 0.00 0.00 56.93 53.83 1yx4 s PHE 76 Cb 0.13 -4.00 -0.01 0.00 -0.34 0.00 0.00 43.02 38.79 1yx4 s PHE 76 CO 0.77 -1.16 -0.05 0.41 -1.46 0.00 0.00 175.22 173.73 1yx4 n GLY 77 N 4.14 -0.08 3.59 13.12 0.00 -1.25 -4.76 105.19 119.95 1yx4 n GLY 77 Ca 0.21 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1yx4 n GLY 77 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yx4 s ARG 78 N -2.09 3.32 0.00 1.61 6.06 -1.26 -4.53 118.95 122.06 1yx4 s ARG 78 Ca -0.05 0.91 0.00 0.00 -2.50 0.00 0.00 55.73 54.09 1yx4 s ARG 78 Cb 0.02 -4.14 0.00 0.00 0.06 0.00 0.00 34.95 30.88 1yx4 s ARG 78 CO 0.07 -1.88 0.00 2.41 -2.50 0.00 0.00 175.30 173.39 1yx4 n THR 79 N 7.13 0.00 -0.02 4.11 -1.04 -1.26 -4.88 114.28 118.33 1yx4 n THR 79 Ca 0.18 0.00 0.23 0.00 -2.04 0.00 0.00 64.05 62.42 1yx4 n THR 79 Cb 0.48 -0.00 0.72 0.00 -1.82 0.00 0.00 70.33 69.71 1yx4 n THR 79 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1yx4 h GLY 80 N 0.00 0.00 -6.65 3.41 0.00 -2.01 -3.29 103.07 94.52 1yx4 h GLY 80 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 1yx4 h GLY 80 CO 0.00 0.00 -0.83 0.48 0.00 0.00 0.00 176.54 176.19 1yx4 s LEU 81 N -8.04 0.87 -0.08 3.11 2.34 -1.26 -5.11 118.68 110.50 1yx4 s LEU 81 Ca -0.05 -1.91 -0.30 0.00 0.06 0.00 0.00 54.13 51.94 1yx4 s LEU 81 Cb 0.18 -0.39 -0.04 0.00 -0.56 0.00 0.00 46.19 45.38 1yx4 s LEU 81 CO 0.66 -0.35 1.38 -2.16 -1.06 0.00 0.00 176.35 174.82 1yx4 s PRO 82 N 1.39 4.25 -0.16 1.48 0.04 -1.24 -4.97 135.00 135.78 1yx4 s PRO 82 Ca 0.15 1.87 -0.29 0.00 0.04 0.00 0.00 61.00 62.77 1yx4 s PRO 82 Cb -0.21 -3.74 -0.01 0.00 0.04 0.00 0.00 34.50 30.58 1yx4 s PRO 82 CO -0.11 -0.67 1.23 0.34 0.04 0.00 0.00 177.00 177.82 1yx4 s ASP 83 N 2.21 6.98 0.16 6.66 2.15 -1.26 -4.90 116.67 128.66 1yx4 s ASP 83 Ca 0.62 1.66 0.08 0.00 0.43 0.00 0.00 52.55 55.34 1yx4 s ASP 83 Cb -0.27 -2.54 -0.08 0.00 -0.30 0.00 0.00 42.92 39.73 1yx4 s ASP 83 CO 0.22 -0.73 1.36 -0.07 -0.17 0.00 0.00 175.17 175.78 1yx4 h LEU 84 N 9.52 0.00 -1.53 -1.34 3.38 -1.97 -3.19 115.31 120.19 1yx4 h LEU 84 Ca -0.26 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1yx4 h LEU 84 Cb 1.10 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1yx4 h LEU 84 CO 0.96 0.91 -0.23 0.28 0.09 0.00 0.00 178.44 180.45 1yx4 h SER 85 N 0.00 0.00 -0.89 -0.43 0.02 -2.02 -2.62 113.55 107.61 1yx4 h SER 85 Ca -0.01 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.41 1yx4 h SER 85 Cb 1.61 0.00 -0.27 0.00 0.14 0.00 0.00 62.40 63.89 1yx4 h SER 85 CO 0.12 0.23 0.68 -0.24 -1.14 0.00 0.00 176.83 176.49 1yx4 n SER 86 N -3.83 5.56 -4.19 3.07 2.88 -1.20 -4.91 113.62 111.00 1yx4 n SER 86 Ca -0.02 -3.53 -0.28 0.00 -1.33 0.00 0.00 58.87 53.72 1yx4 n SER 86 Cb 0.33 -0.90 -0.16 0.00 -0.75 0.00 0.00 64.21 62.73 1yx4 n SER 86 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1yx4 s MET 87 N -3.17 1.94 1.06 -1.46 1.00 -0.99 -5.00 119.30 112.69 1yx4 s MET 87 Ca 0.54 -0.71 -0.15 0.00 0.00 0.00 0.00 55.69 55.37 1yx4 s MET 87 Cb 0.44 -1.71 0.22 0.00 0.00 0.00 0.00 34.83 33.78 1yx4 s MET 87 CO 0.04 0.33 1.12 0.95 0.00 0.00 0.00 175.02 177.46 1yx4 s THR 88 N -0.14 1.85 0.41 2.05 -4.23 -1.26 -4.72 115.64 109.60 1yx4 s THR 88 Ca -0.01 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.59 1yx4 s THR 88 Cb -0.11 -2.56 0.29 0.00 1.34 0.00 0.00 72.50 71.46 1yx4 s THR 88 CO 0.02 0.00 2.01 1.05 -0.54 0.00 0.00 174.62 177.16 1yx4 h GLU 89 N -2.09 0.54 0.08 3.99 4.11 -2.00 -1.82 114.58 117.38 1yx4 h GLU 89 Ca -0.50 -0.03 -0.26 0.00 0.07 0.00 0.00 59.36 58.64 1yx4 h GLU 89 Cb 1.31 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1yx4 h GLU 89 CO 0.49 0.36 -1.21 0.93 0.07 0.00 0.00 179.01 179.65 1yx4 h GLU 90 N 0.55 0.17 0.53 1.06 5.08 -1.98 -2.97 114.58 117.02 1yx4 h GLU 90 Ca 0.23 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.28 1yx4 h GLU 90 Cb 0.20 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1yx4 h GLU 90 CO -0.06 1.11 -0.40 0.93 -1.00 0.00 0.00 179.01 179.58 1yx4 h GLU 91 N 0.05 -0.86 0.00 2.33 3.07 -1.66 0.27 114.58 117.78 1yx4 h GLU 91 Ca -0.11 0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1yx4 h GLU 91 Cb 1.91 0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 30.01 1yx4 h GLU 91 CO 0.17 -0.57 -0.01 1.96 -1.40 0.00 0.00 179.01 179.16 1yx4 h GLN 92 N -0.89 0.00 -0.21 2.33 4.20 -1.65 -1.97 115.11 116.92 1yx4 h GLN 92 Ca -0.07 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1yx4 h GLN 92 Cb 0.74 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 1yx4 h GLN 92 CO 0.02 0.01 0.03 0.82 -0.67 0.00 0.00 178.83 179.04 1yx4 h ILE 93 N 0.00 1.23 -0.85 2.54 2.04 -1.17 0.64 117.51 121.94 1yx4 h ILE 93 Ca -0.00 -0.77 0.08 0.00 1.00 0.00 0.00 64.86 65.17 1yx4 h ILE 93 Cb 0.02 1.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.37 1yx4 h ILE 93 CO 0.00 0.24 0.55 0.00 0.00 0.00 0.00 178.15 178.94 1yx4 h ALA 94 N 0.83 1.63 0.00 1.87 0.00 0.29 0.28 119.26 124.15 1yx4 h ALA 94 Ca 0.06 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.78 1yx4 h ALA 94 Cb 0.33 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1yx4 h ALA 94 CO 0.01 0.22 -0.96 -0.92 0.00 0.00 0.00 179.25 177.59 1yx4 h TYR 95 N 0.88 0.00 -0.08 0.00 3.20 -1.24 -2.62 116.97 117.12 1yx4 h TYR 95 Ca 0.38 0.00 -0.23 0.00 3.14 0.00 0.00 58.73 62.02 1yx4 h TYR 95 Cb 0.32 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.60 1yx4 h TYR 95 CO -0.00 0.77 -0.86 0.00 -1.64 0.00 0.00 178.16 176.44 1yx4 h ALA 96 N 1.23 0.33 0.00 1.82 0.00 0.17 -2.46 119.26 120.35 1yx4 h ALA 96 Ca -0.06 -0.64 -0.05 0.00 0.00 0.00 0.00 54.91 54.16 1yx4 h ALA 96 Cb 1.64 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 1yx4 h ALA 96 CO 0.09 0.72 -0.26 0.52 0.00 0.00 0.00 179.25 180.32 1yx4 h MET 97 N 0.42 0.00 0.01 0.00 2.86 -0.61 -2.87 114.93 114.73 1yx4 h MET 97 Ca -0.07 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.42 1yx4 h MET 97 Cb 1.48 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.16 1yx4 h MET 97 CO 0.17 0.22 -0.58 1.96 1.06 0.00 0.00 176.91 179.74 1yx4 h GLN 98 N 0.00 0.38 -0.07 1.72 4.20 -1.43 -2.80 115.11 117.10 1yx4 h GLN 98 Ca -0.00 -0.42 -0.12 0.00 0.06 0.00 0.00 58.65 58.17 1yx4 h GLN 98 Cb 1.18 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.07 1yx4 h GLN 98 CO 0.03 1.09 -0.49 0.52 -0.67 0.00 0.00 178.83 179.32 1yx4 h MET 99 N -0.16 0.18 -0.01 1.46 2.86 -1.52 -1.69 114.93 116.04 1yx4 h MET 99 Ca -0.07 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 1yx4 h MET 99 Cb 1.30 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.97 1yx4 h MET 99 CO 0.11 0.63 -0.00 0.77 1.06 0.00 0.00 176.91 179.48 1yx4 h SER 100 N 0.14 0.03 1.19 1.22 0.02 -1.55 -2.90 113.55 111.69 1yx4 h SER 100 Ca 0.01 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1yx4 h SER 100 Cb 0.91 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1yx4 h SER 100 CO 0.07 0.34 0.00 -0.07 -1.14 0.00 0.00 176.83 176.04 1yx4 h LEU 101 N -0.29 0.00 0.58 5.07 3.38 -1.48 -3.29 115.31 119.28 1yx4 h LEU 101 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1yx4 h LEU 101 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1yx4 h LEU 101 CO 0.00 0.00 -0.37 -0.61 0.09 0.00 0.00 178.44 177.55 1yx4 h GLN 102 N 0.00 -0.86 0.00 1.13 4.15 -1.09 -3.49 115.11 114.95 1yx4 h GLN 102 Ca 0.00 0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1yx4 h GLN 102 Cb 0.59 0.20 0.00 0.00 0.21 0.00 0.00 27.48 28.48 1yx4 h GLN 102 CO 0.00 -0.57 0.00 0.41 -1.93 0.00 0.00 178.83 176.74 1yx4 n GLY 103 N -1.47 4.76 3.14 2.39 0.00 -1.23 -5.11 105.19 107.67 1yx4 n GLY 103 Ca -0.11 -0.84 0.04 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.74 -2.97 -0.67 4.61 0.00 -1.26 -5.02 121.76 115.71 1yx4 s ALA 104 Ca 0.00 1.06 0.05 0.00 0.00 0.00 0.00 51.96 53.08 1yx4 s ALA 104 Cb 0.00 -2.67 0.24 0.00 0.00 0.00 0.00 23.12 20.69 1yx4 s ALA 104 CO 0.00 -1.99 0.74 0.39 0.00 0.00 0.00 175.76 174.90 1yx4 n GLU 105 N 5.13 2.50 -3.58 0.00 -0.58 -1.26 -5.00 120.64 117.85 1yx4 n GLU 105 Ca 0.07 -4.65 -0.27 0.00 -0.42 0.00 0.00 57.16 51.89 1yx4 n GLU 105 Cb 0.56 -2.27 -0.16 0.00 -0.57 0.00 0.00 31.44 28.99 1yx4 n GLU 105 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1yx4 s PHE 106 N -2.33 0.24 -0.07 -0.32 2.19 -1.26 -4.96 117.98 111.47 1yx4 s PHE 106 Ca 0.37 -0.56 0.03 0.00 0.33 0.00 0.00 56.93 57.10 1yx4 s PHE 106 Cb 0.12 -0.78 0.09 0.00 -1.31 0.00 0.00 43.02 41.13 1yx4 s PHE 106 CO -0.03 -0.66 0.73 0.41 1.83 0.00 0.00 175.22 177.49 1yx4 n GLY 107 N 5.27 -0.33 2.75 13.12 0.00 -1.26 -5.11 105.19 119.63 1yx4 n GLY 107 Ca -0.06 -0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 1yx4 n GLY 107 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yx4 s GLN 108 N 0.03 0.28 -0.20 1.61 -1.52 -1.26 -5.00 119.66 113.60 1yx4 s GLN 108 Ca 0.02 -0.04 0.12 0.00 -1.95 0.00 0.00 55.36 53.52 1yx4 s GLN 108 Cb 0.10 -0.83 0.43 0.00 -0.22 0.00 0.00 33.01 32.48 1yx4 s GLN 108 CO -0.03 -0.90 1.21 0.00 -0.25 0.00 0.00 175.29 175.32 1yx4 n ALA 109 N 5.31 3.65 0.09 6.09 0.00 -1.26 -4.73 120.51 129.67 1yx4 n ALA 109 Ca -0.03 -3.26 -0.06 0.00 0.00 0.00 0.00 53.44 50.09 1yx4 n ALA 109 Cb 0.47 -0.39 0.02 0.00 0.00 0.00 0.00 19.45 19.56 1yx4 n ALA 109 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1yx4 h GLU 110 N 1.11 0.11 0.00 0.00 3.07 -2.08 -3.47 114.58 113.33 1yx4 h GLU 110 Ca 0.01 -0.12 -0.14 0.00 -0.50 0.00 0.00 59.36 58.61 1yx4 h GLU 110 Cb 1.13 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 29.04 1yx4 h GLU 110 CO 0.07 0.87 -0.02 -1.13 -1.40 0.00 0.00 179.01 177.40 1yx4 n SER 111 N -3.65 -1.10 0.00 1.42 3.41 -1.26 -5.35 113.62 107.08 1yx4 n SER 111 Ca -0.02 -2.22 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 1yx4 n SER 111 Cb 0.77 1.97 0.00 0.00 -0.26 0.00 0.00 64.21 66.69 1yx4 n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88