#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yx1 s HIS 4 N 0.00 3.49 0.23 -1.77 3.76 -0.79 -5.06 115.29 115.15 1yx1 s HIS 4 Ca 0.00 0.55 -0.30 0.00 -0.15 0.00 0.00 55.06 55.15 1yx1 s HIS 4 Cb 0.00 -1.99 -0.10 0.00 1.11 0.00 0.00 32.58 31.60 1yx1 s HIS 4 CO 0.00 0.46 1.44 -1.25 -0.85 0.00 0.00 174.74 174.54 1yx1 s PRO 5 N -2.54 4.27 -0.02 8.40 0.04 -1.26 -4.54 135.00 139.36 1yx1 s PRO 5 Ca 0.39 2.28 0.05 0.00 0.04 0.00 0.00 61.00 63.76 1yx1 s PRO 5 Cb -0.12 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 1yx1 s PRO 5 CO 0.24 -0.42 -0.17 0.08 0.04 0.00 0.00 177.00 176.77 1yx1 s VAL 6 N 0.14 1.33 0.16 -0.36 1.01 -1.26 -2.01 120.40 119.40 1yx1 s VAL 6 Ca 0.60 -0.71 0.11 0.00 0.00 0.00 0.00 61.98 61.98 1yx1 s VAL 6 Cb -0.41 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1yx1 s VAL 6 CO 0.41 0.38 -0.25 -0.55 0.00 0.00 0.00 175.10 175.09 1yx1 s SER 7 N -0.34 3.38 -0.12 3.32 0.15 0.14 0.03 113.70 120.27 1yx1 s SER 7 Ca 0.05 -0.80 0.03 0.00 0.70 0.00 0.00 55.95 55.93 1yx1 s SER 7 Cb -0.07 -0.24 0.01 0.00 -1.71 0.00 0.00 66.02 64.00 1yx1 s SER 7 CO -0.00 0.15 -0.20 -0.63 1.20 0.00 0.00 173.24 173.76 1yx1 s ILE 8 N -1.33 1.86 -0.19 6.45 1.01 -0.99 -0.87 121.20 127.14 1yx1 s ILE 8 Ca 0.17 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.65 1yx1 s ILE 8 Cb -0.09 -1.65 -0.00 0.00 0.01 0.00 0.00 42.46 40.73 1yx1 s ILE 8 CO 0.08 0.51 1.12 -0.55 0.00 0.00 0.00 174.94 176.10 1yx1 s SER 9 N 0.72 7.06 0.58 3.58 0.15 -0.44 -1.46 113.70 123.89 1yx1 s SER 9 Ca -0.10 1.51 0.36 0.00 0.70 0.00 0.00 55.95 58.42 1yx1 s SER 9 Cb -0.16 -2.54 1.78 0.00 -1.71 0.00 0.00 66.02 63.39 1yx1 s SER 9 CO 0.01 -0.68 2.15 -0.07 1.20 0.00 0.00 173.24 175.86 1yx1 h LEU 10 N 9.38 0.00 -2.23 3.45 3.38 -1.74 -0.00 115.31 127.55 1yx1 h LEU 10 Ca -0.23 0.00 0.05 0.00 0.09 0.00 0.00 57.88 57.79 1yx1 h LEU 10 Cb 1.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 1yx1 h LEU 10 CO 0.96 0.04 0.23 0.77 0.09 0.00 0.00 178.44 180.53 1yx1 h SER 11 N 0.00 0.00 -0.81 -0.43 4.64 -1.92 -2.03 113.55 112.99 1yx1 h SER 11 Ca -0.00 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.54 1yx1 h SER 11 Cb 0.27 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.32 1yx1 h SER 11 CO 0.00 0.00 0.57 0.28 -0.87 0.00 0.00 176.83 176.81 1yx1 h SER 12 N 0.00 0.12 0.37 4.97 0.02 -1.22 -2.08 113.55 115.72 1yx1 h SER 12 Ca 0.08 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1yx1 h SER 12 Cb 0.54 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1yx1 h SER 12 CO -0.00 0.05 -0.13 -1.22 -1.14 0.00 0.00 176.83 174.39 1yx1 n TYR 13 N -4.36 0.00 0.00 3.45 4.01 -0.76 -0.31 117.16 119.19 1yx1 n TYR 13 Ca 0.17 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.91 1yx1 n TYR 13 Cb 0.80 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.65 1yx1 n TYR 13 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yx1 n GLY 14 N 1.29 1.91 0.22 2.72 0.00 -0.78 -4.70 105.19 105.84 1yx1 n GLY 14 Ca 0.14 -1.31 -0.06 0.00 0.00 0.00 0.00 46.02 44.79 1yx1 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx1 h ALA 15 N 0.00 0.67 -0.21 4.61 0.00 -1.90 -1.05 119.26 121.38 1yx1 h ALA 15 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1yx1 h ALA 15 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1yx1 h ALA 15 CO 0.00 0.07 0.12 -0.44 0.00 0.00 0.00 179.25 179.00 1yx1 h ASP 16 N 0.67 0.19 -0.58 0.00 3.32 -1.98 -0.65 116.42 117.40 1yx1 h ASP 16 Ca 0.20 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.28 1yx1 h ASP 16 Cb -0.03 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 1yx1 h ASP 16 CO -0.07 0.14 0.36 0.25 -1.72 0.00 0.00 179.24 178.21 1yx1 h LEU 17 N 0.25 0.60 -0.21 1.55 5.85 -1.79 -1.70 115.31 119.86 1yx1 h LEU 17 Ca 0.08 -0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 1yx1 h LEU 17 Cb 0.00 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1yx1 h LEU 17 CO -0.04 0.42 0.00 0.58 -0.34 0.00 0.00 178.44 179.06 1yx1 h VAL 18 N 0.72 1.25 -0.85 1.05 2.07 -0.92 -0.93 116.25 118.64 1yx1 h VAL 18 Ca 0.23 -0.86 0.08 0.00 0.82 0.00 0.00 66.70 66.97 1yx1 h VAL 18 Cb -0.00 1.41 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 1yx1 h VAL 18 CO -0.09 0.26 0.51 0.03 0.02 0.00 0.00 177.57 178.30 1yx1 h ARG 19 N 0.13 0.85 -0.11 1.57 3.08 -1.07 0.43 114.38 119.26 1yx1 h ARG 19 Ca 0.06 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.03 1yx1 h ARG 19 Cb 0.39 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 30.24 1yx1 h ARG 19 CO 0.01 0.56 -0.03 1.03 -1.07 0.00 0.00 179.97 180.47 1yx1 h SER 20 N 0.88 0.22 1.41 7.04 0.87 -1.03 -3.28 113.55 119.66 1yx1 h SER 20 Ca 0.40 -0.38 -0.08 0.00 -1.23 0.00 0.00 61.79 60.50 1yx1 h SER 20 Cb 0.30 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 1yx1 h SER 20 CO -0.22 0.54 -0.61 0.03 -0.53 0.00 0.00 176.83 176.05 1yx1 h ARG 21 N -0.11 0.00 0.00 2.24 2.47 -0.97 -3.51 114.38 114.50 1yx1 h ARG 21 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 1yx1 h ARG 21 Cb 0.45 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1yx1 h ARG 21 CO 0.01 0.30 0.00 0.41 0.56 0.00 0.00 179.97 181.25 1yx1 n GLY 22 N 1.22 -1.69 0.25 0.04 0.00 0.15 -4.53 105.19 100.62 1yx1 n GLY 22 Ca 0.00 -1.32 -0.02 0.00 0.00 0.00 0.00 46.02 44.68 1yx1 n GLY 22 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1yx1 h GLN 23 N 0.00 0.48 0.00 1.61 4.20 -1.87 -2.73 115.11 116.80 1yx1 h GLN 23 Ca 0.00 -0.14 -0.03 0.00 0.06 0.00 0.00 58.65 58.53 1yx1 h GLN 23 Cb 0.00 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 1yx1 h GLN 23 CO 0.00 0.61 -0.16 0.00 -0.67 0.00 0.00 178.83 178.61 1yx1 h ALA 24 N 1.41 1.42 0.00 3.87 0.00 -1.94 -1.73 119.26 122.29 1yx1 h ALA 24 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1yx1 h ALA 24 Cb 0.51 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1yx1 h ALA 24 CO 0.03 0.20 0.00 -1.13 0.00 0.00 0.00 179.25 178.36 1yx1 n SER 25 N -3.89 0.71 0.05 0.00 3.41 -1.03 -2.36 113.62 110.51 1yx1 n SER 25 Ca -0.02 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 1yx1 n SER 25 Cb 0.26 -0.83 0.15 0.00 -0.26 0.00 0.00 64.21 63.53 1yx1 n SER 25 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1yx1 n PHE 26 N -2.29 0.48 -0.15 7.33 3.72 -0.65 -4.37 117.46 121.53 1yx1 n PHE 26 Ca 0.02 0.14 -0.08 0.00 -0.05 0.00 0.00 57.45 57.48 1yx1 n PHE 26 Cb 0.23 -0.60 0.00 0.00 -0.94 0.00 0.00 39.48 38.17 1yx1 n PHE 26 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1yx1 h LEU 27 N 0.00 0.58 -1.21 4.37 3.38 -1.57 -0.82 115.31 120.05 1yx1 h LEU 27 Ca 0.00 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1yx1 h LEU 27 Cb 0.73 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 1yx1 h LEU 27 CO 0.00 0.54 -0.09 -0.65 0.09 0.00 0.00 178.44 178.33 1yx1 h PRO 28 N 0.59 0.44 0.00 1.13 0.11 -1.78 -1.55 132.00 130.94 1yx1 h PRO 28 Ca 0.16 -0.11 -0.00 0.00 0.11 0.00 0.00 66.00 66.16 1yx1 h PRO 28 Cb 0.10 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1yx1 h PRO 28 CO -0.02 0.54 -0.00 1.25 -0.21 0.00 0.00 178.00 179.55 1yx1 h LEU 29 N 0.41 -0.00 -0.80 2.35 6.46 -1.69 -2.88 115.31 119.16 1yx1 h LEU 29 Ca 0.08 -0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.86 1yx1 h LEU 29 Cb 0.41 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 1yx1 h LEU 29 CO 0.02 0.00 0.52 -0.07 -0.62 0.00 0.00 178.44 178.29 1yx1 h LEU 30 N -0.01 0.87 -1.71 2.25 4.07 -0.83 0.03 115.31 119.98 1yx1 h LEU 30 Ca -0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1yx1 h LEU 30 Cb 0.01 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.54 1yx1 h LEU 30 CO 0.00 0.61 0.00 0.00 -1.08 0.00 0.00 178.44 177.97 1yx1 n ALA 31 N -2.33 1.73 0.00 1.53 0.00 -0.61 -0.89 120.51 119.94 1yx1 n ALA 31 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1yx1 n ALA 31 Cb 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.51 1yx1 n ALA 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yx1 n ALA 33 N 0.69 0.00 -0.24 0.00 0.00 -0.00 -4.36 120.51 116.59 1yx1 n ALA 33 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yx1 n ALA 33 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.59 1yx1 n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yx1 n GLY 34 N 0.00 0.86 3.82 0.00 0.00 -0.99 -4.28 105.19 104.60 1yx1 n GLY 34 Ca 0.00 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 1yx1 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx1 s ALA 35 N -2.00 2.88 -0.39 4.61 0.00 -0.07 -4.83 121.76 121.96 1yx1 s ALA 35 Ca 0.00 0.32 0.16 0.00 0.00 0.00 0.00 51.96 52.44 1yx1 s ALA 35 Cb 0.00 -3.19 -0.21 0.00 0.00 0.00 0.00 23.12 19.73 1yx1 s ALA 35 CO 0.00 -0.54 0.51 1.04 0.00 0.00 0.00 175.76 176.77 1yx1 n GLN 36 N -1.77 1.23 -3.72 0.00 3.00 0.10 -4.64 117.38 111.59 1yx1 n GLN 36 Ca 0.08 -0.07 -0.14 0.00 -0.01 0.00 0.00 57.00 56.86 1yx1 n GLN 36 Cb 0.53 -1.30 -0.08 0.00 0.00 0.00 0.00 30.24 29.39 1yx1 n GLN 36 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 1yx1 s ARG 37 N -2.76 0.73 0.05 -1.09 3.52 -1.10 -1.31 118.95 116.98 1yx1 s ARG 37 Ca 0.00 -0.09 0.09 0.00 -0.13 0.00 0.00 55.73 55.60 1yx1 s ARG 37 Cb 0.11 0.33 -0.03 0.00 -1.56 0.00 0.00 34.95 33.80 1yx1 s ARG 37 CO 0.65 -0.20 -0.23 0.54 -0.81 0.00 0.00 175.30 175.24 1yx1 s VAL 38 N -1.24 2.39 -0.28 7.11 0.11 0.02 -2.33 120.40 126.17 1yx1 s VAL 38 Ca -0.13 -1.34 -0.03 0.00 -2.93 0.00 0.00 61.98 57.56 1yx1 s VAL 38 Cb -0.04 -1.97 0.04 0.00 -1.53 0.00 0.00 36.38 32.87 1yx1 s VAL 38 CO 0.05 0.34 -0.00 -0.70 -3.33 0.00 0.00 175.10 171.45 1yx1 s GLU 39 N -1.37 2.67 0.49 1.54 2.12 -0.54 -0.39 118.70 123.23 1yx1 s GLU 39 Ca 0.13 -1.10 -0.12 0.00 0.36 0.00 0.00 54.97 54.23 1yx1 s GLU 39 Cb -0.10 -3.16 -0.06 0.00 0.26 0.00 0.00 34.13 31.07 1yx1 s GLU 39 CO 0.03 -0.52 0.90 -0.51 -0.54 0.00 0.00 175.26 174.62 1yx1 s LEU 40 N 1.32 3.62 -0.10 2.70 1.43 0.14 -2.08 118.68 125.72 1yx1 s LEU 40 Ca -0.02 1.32 0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1yx1 s LEU 40 Cb -0.18 -4.26 0.02 0.00 0.03 0.00 0.00 46.19 41.80 1yx1 s LEU 40 CO -0.01 -0.57 -0.09 -0.13 0.23 0.00 0.00 176.35 175.77 1yx1 s ARG 41 N -4.27 1.60 0.11 1.70 1.81 -1.26 -0.29 118.95 118.35 1yx1 s ARG 41 Ca 0.54 -0.31 -0.20 0.00 -1.72 0.00 0.00 55.73 54.05 1yx1 s ARG 41 Cb -0.10 -1.54 -0.07 0.00 -0.45 0.00 0.00 34.95 32.79 1yx1 s ARG 41 CO 0.37 -0.17 1.72 1.49 -0.68 0.00 0.00 175.30 178.03 1yx1 h GLU 42 N 7.78 0.30 0.00 3.54 4.81 -1.80 -2.39 114.58 126.81 1yx1 h GLU 42 Ca -0.31 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 1yx1 h GLU 42 Cb 1.15 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1yx1 h GLU 42 CO 0.43 0.26 0.00 -0.85 -0.73 0.00 0.00 179.01 178.12 1yx1 n GLU 43 N -4.89 0.03 0.00 1.92 0.00 -1.26 -3.12 120.64 113.31 1yx1 n GLU 43 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 57.16 57.17 1yx1 n GLU 43 Cb 0.06 -1.47 0.00 0.00 0.00 0.00 0.00 31.44 30.04 1yx1 n GLU 43 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1yx1 n LEU 44 N -0.97 1.20 -4.76 -1.84 4.32 -0.90 -4.94 117.00 109.11 1yx1 n LEU 44 Ca 0.01 -0.79 -0.40 0.00 -0.02 0.00 0.00 56.01 54.81 1yx1 n LEU 44 Cb 0.00 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 41.76 1yx1 n LEU 44 CO 0.01 0.24 0.78 -0.36 -1.22 0.00 0.00 177.39 176.84 1yx1 s PHE 45 N -1.21 3.52 0.07 -1.77 0.08 -1.18 -4.19 117.98 113.29 1yx1 s PHE 45 Ca 0.08 1.69 -0.27 0.00 0.12 0.00 0.00 56.93 58.55 1yx1 s PHE 45 Cb 0.07 -3.26 -0.17 0.00 -0.57 0.00 0.00 43.02 39.10 1yx1 s PHE 45 CO 0.21 -0.56 1.61 0.00 -0.10 0.00 0.00 175.22 176.39 1yx1 h ALA 46 N 3.57 -0.33 0.00 5.36 0.00 -1.92 -3.46 119.26 122.47 1yx1 h ALA 46 Ca -0.47 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1yx1 h ALA 46 Cb 1.21 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1yx1 h ALA 46 CO 0.66 -0.65 0.00 0.41 0.00 0.00 0.00 179.25 179.67 1yx1 n GLY 47 N -1.04 3.58 3.54 0.00 0.00 -1.26 -5.17 105.19 104.85 1yx1 n GLY 47 Ca -0.09 -0.63 -0.41 0.00 0.00 0.00 0.00 46.02 44.89 1yx1 n GLY 47 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1yx1 s PRO 48 N -3.62 3.54 0.39 1.61 0.04 -1.26 -5.09 135.00 130.61 1yx1 s PRO 48 Ca 0.00 -0.40 -0.24 0.00 0.04 0.00 0.00 61.00 60.40 1yx1 s PRO 48 Cb 0.00 -3.82 -0.09 0.00 0.04 0.00 0.00 34.50 30.63 1yx1 s PRO 48 CO 0.00 -0.57 1.05 -1.25 0.04 0.00 0.00 177.00 176.27 1yx1 s PRO 49 N 2.09 4.18 -0.46 0.56 0.04 -1.26 -4.97 135.00 135.17 1yx1 s PRO 49 Ca 0.13 1.53 -0.28 0.00 0.04 0.00 0.00 61.00 62.42 1yx1 s PRO 49 Cb -0.16 -2.57 -0.01 0.00 0.04 0.00 0.00 34.50 31.80 1yx1 s PRO 49 CO 0.12 -0.13 1.69 0.34 0.04 0.00 0.00 177.00 179.07 1yx1 s ASP 50 N -1.53 5.82 0.15 6.66 -1.08 -1.26 -4.83 116.67 120.60 1yx1 s ASP 50 Ca 0.57 0.78 0.05 0.00 -0.52 0.00 0.00 52.55 53.43 1yx1 s ASP 50 Cb -0.22 -2.53 -0.06 0.00 -1.46 0.00 0.00 42.92 38.65 1yx1 s ASP 50 CO 0.28 -1.86 1.35 0.71 0.52 0.00 0.00 175.17 176.17 1yx1 h THR 51 N 6.71 1.57 0.08 1.71 1.35 -1.93 -2.73 112.91 119.67 1yx1 h THR 51 Ca -0.29 -2.90 -0.00 0.00 -0.55 0.00 0.00 66.41 62.66 1yx1 h THR 51 Cb 1.14 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 70.18 1yx1 h THR 51 CO 1.12 0.84 -0.04 -0.33 -0.25 0.00 0.00 175.52 176.85 1yx1 h GLU 52 N 0.05 -0.11 -0.60 4.72 5.08 -1.88 0.24 114.58 122.08 1yx1 h GLU 52 Ca -0.03 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1yx1 h GLU 52 Cb 1.59 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.84 1yx1 h GLU 52 CO 0.13 0.01 0.28 0.00 -1.00 0.00 0.00 179.01 178.43 1yx1 h ALA 53 N 0.71 0.77 -0.25 3.43 0.00 -1.96 -1.25 119.26 120.73 1yx1 h ALA 53 Ca -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1yx1 h ALA 53 Cb 0.17 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1yx1 h ALA 53 CO 0.02 0.35 0.15 1.25 0.00 0.00 0.00 179.25 181.01 1yx1 h LEU 54 N 0.82 0.30 -1.09 0.00 5.85 -1.37 -1.21 115.31 118.60 1yx1 h LEU 54 Ca 0.20 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.92 1yx1 h LEU 54 Cb 0.14 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.04 1yx1 h LEU 54 CO -0.02 0.27 0.61 0.74 -0.34 0.00 0.00 178.44 179.70 1yx1 h THR 55 N 0.30 1.11 -0.26 1.05 2.02 -0.30 -2.06 112.91 114.77 1yx1 h THR 55 Ca 0.09 -0.39 -0.15 0.00 0.77 0.00 0.00 66.41 66.73 1yx1 h THR 55 Cb 0.03 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.32 1yx1 h THR 55 CO -0.02 0.21 -0.46 0.00 0.37 0.00 0.00 175.52 175.62 1yx1 h ALA 56 N 1.47 0.71 -0.47 6.16 0.00 -0.85 -1.98 119.26 124.31 1yx1 h ALA 56 Ca 0.39 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1yx1 h ALA 56 Cb 0.12 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1yx1 h ALA 56 CO -0.14 0.67 0.23 0.00 0.00 0.00 0.00 179.25 180.01 1yx1 h ALA 57 N 0.96 0.61 -0.67 0.00 0.00 -0.87 0.61 119.26 119.89 1yx1 h ALA 57 Ca 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1yx1 h ALA 57 Cb 1.00 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1yx1 h ALA 57 CO 0.09 0.17 0.25 0.82 0.00 0.00 0.00 179.25 180.59 1yx1 h ILE 58 N 0.62 1.24 -0.52 0.00 2.04 -1.20 -2.74 117.51 116.96 1yx1 h ILE 58 Ca 0.16 -0.79 -0.08 0.00 1.00 0.00 0.00 64.86 65.15 1yx1 h ILE 58 Cb 0.11 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1yx1 h ILE 58 CO -0.02 0.31 0.00 1.56 0.00 0.00 0.00 178.15 180.00 1yx1 h GLN 59 N 0.96 0.91 -0.88 2.37 4.20 -1.12 -2.62 115.11 118.94 1yx1 h GLN 59 Ca 0.22 -0.29 0.03 0.00 0.06 0.00 0.00 58.65 58.67 1yx1 h GLN 59 Cb 0.24 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 27.88 1yx1 h GLN 59 CO -0.01 0.94 0.58 1.25 -0.67 0.00 0.00 178.83 180.91 1yx1 h LEU 60 N 0.78 0.97 -0.07 1.46 5.85 -0.75 -2.53 115.31 121.02 1yx1 h LEU 60 Ca 0.15 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1yx1 h LEU 60 Cb 0.52 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.32 1yx1 h LEU 60 CO 0.03 0.68 -0.15 0.00 -0.34 0.00 0.00 178.44 178.65 1yx1 n GLN 61 N -4.43 0.25 -1.99 1.25 1.13 -1.05 -4.93 117.38 107.61 1yx1 n GLN 61 Ca 0.11 -0.07 -0.17 0.00 -1.94 0.00 0.00 57.00 54.93 1yx1 n GLN 61 Cb 0.08 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.89 1yx1 n GLN 61 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1yx1 n GLY 62 N 1.41 0.48 3.81 1.08 0.00 -0.96 -4.92 105.19 106.10 1yx1 n GLY 62 Ca 0.10 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.55 1yx1 n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yx1 s LEU 63 N -4.45 4.46 0.63 0.99 1.43 -1.02 -4.97 118.68 115.76 1yx1 s LEU 63 Ca 0.00 1.33 -0.14 0.00 -1.03 0.00 0.00 54.13 54.28 1yx1 s LEU 63 Cb 0.00 -3.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.02 1yx1 s LEU 63 CO 0.00 0.18 1.06 -1.61 0.23 0.00 0.00 176.35 176.21 1yx1 s GLU 64 N -1.47 3.12 -0.03 1.70 2.02 -0.43 -4.75 118.70 118.86 1yx1 s GLU 64 Ca 0.35 1.16 -0.00 0.00 0.02 0.00 0.00 54.97 56.50 1yx1 s GLU 64 Cb -0.19 -2.01 0.03 0.00 0.10 0.00 0.00 34.13 32.06 1yx1 s GLU 64 CO 0.21 -0.97 0.01 0.00 0.02 0.00 0.00 175.26 174.52 1yx1 s VAL 66 N 1.23 4.56 -0.35 0.00 1.01 0.47 -0.22 120.40 127.10 1yx1 s VAL 66 Ca -0.07 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.65 1yx1 s VAL 66 Cb -0.13 -3.06 -0.01 0.00 0.00 0.00 0.00 36.38 33.18 1yx1 s VAL 66 CO -0.02 0.45 0.35 0.12 0.00 0.00 0.00 175.10 176.00 1yx1 s PHE 67 N 0.57 3.21 -0.18 5.22 5.36 -0.06 0.26 117.98 132.37 1yx1 s PHE 67 Ca 0.02 -0.07 -0.13 0.00 -0.96 0.00 0.00 56.93 55.79 1yx1 s PHE 67 Cb -0.13 -2.66 -0.05 0.00 -0.34 0.00 0.00 43.02 39.84 1yx1 s PHE 67 CO 0.01 -0.44 0.27 0.45 -1.46 0.00 0.00 175.22 174.05 1yx1 s SER 68 N 1.74 6.36 0.07 6.13 0.15 0.60 0.04 113.70 128.80 1yx1 s SER 68 Ca 0.11 0.42 0.08 0.00 0.70 0.00 0.00 55.95 57.26 1yx1 s SER 68 Cb -0.17 -2.17 -0.03 0.00 -1.71 0.00 0.00 66.02 61.95 1yx1 s SER 68 CO 0.12 0.08 -0.22 -0.55 1.20 0.00 0.00 173.24 173.86 1yx1 s SER 69 N 0.62 2.67 0.00 5.45 0.15 -0.15 -2.00 113.70 120.45 1yx1 s SER 69 Ca 0.15 -0.61 0.22 0.00 0.70 0.00 0.00 55.95 56.41 1yx1 s SER 69 Cb -0.13 -0.20 1.33 0.00 -1.71 0.00 0.00 66.02 65.31 1yx1 s SER 69 CO 0.04 0.14 1.71 -0.81 1.20 0.00 0.00 173.24 175.52 1yx1 n PRO 70 N 1.49 0.69 -1.62 5.44 -0.04 -1.26 -4.31 135.00 135.37 1yx1 n PRO 70 Ca -0.18 0.00 -0.49 0.00 -0.04 0.00 0.00 63.50 62.79 1yx1 n PRO 70 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 1yx1 n PRO 70 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1yx1 n LEU 71 N -1.01 2.27 -4.67 1.53 0.00 -1.26 -4.66 117.00 109.20 1yx1 n LEU 71 Ca 0.17 1.11 -0.38 0.00 0.00 0.00 0.00 56.01 56.91 1yx1 n LEU 71 Cb 0.08 -1.30 -0.08 0.00 0.00 0.00 0.00 43.42 42.12 1yx1 n LEU 71 CO 0.13 -0.75 0.04 -1.61 0.00 0.00 0.00 177.39 175.19 1yx1 s GLU 72 N 0.48 4.16 0.12 1.96 2.02 -1.26 -1.15 118.70 125.03 1yx1 s GLU 72 Ca 0.80 0.10 -0.20 0.00 0.02 0.00 0.00 54.97 55.69 1yx1 s GLU 72 Cb -0.82 -3.53 -0.07 0.00 0.10 0.00 0.00 34.13 29.81 1yx1 s GLU 72 CO 0.44 0.00 1.77 1.25 0.02 0.00 0.00 175.26 178.74 1yx1 h LEU 73 N 7.54 0.24 -8.86 1.80 5.85 -0.81 -3.41 115.31 117.65 1yx1 h LEU 73 Ca -0.37 -0.02 -0.66 0.00 0.84 0.00 0.00 57.88 57.67 1yx1 h LEU 73 Cb 1.16 -0.06 -0.22 0.00 0.37 0.00 0.00 40.66 41.91 1yx1 h LEU 73 CO 0.71 0.18 -0.71 0.26 -0.34 0.00 0.00 178.44 178.54 1yx1 s TRP 74 N -6.12 2.92 0.50 1.25 0.51 -0.60 0.17 118.94 117.57 1yx1 s TRP 74 Ca -0.13 -0.30 -0.09 0.00 -2.12 0.00 0.00 56.10 53.47 1yx1 s TRP 74 Cb 0.08 -1.84 -0.05 0.00 -0.81 0.00 0.00 33.47 30.86 1yx1 s TRP 74 CO 0.69 0.03 0.86 1.03 -0.51 0.00 0.00 176.95 179.05 1yx1 s ARG 75 N -0.04 3.64 0.31 4.98 0.52 -0.59 -2.09 118.95 125.69 1yx1 s ARG 75 Ca -0.01 0.46 0.06 0.00 -0.52 0.00 0.00 55.73 55.72 1yx1 s ARG 75 Cb -0.14 -2.29 0.84 0.00 0.52 0.00 0.00 34.95 33.89 1yx1 s ARG 75 CO 0.03 -0.26 1.64 1.49 0.02 0.00 0.00 175.30 178.22 1yx1 h GLU 76 N 0.39 0.19 0.00 3.54 4.57 -1.88 -0.19 114.58 121.21 1yx1 h GLU 76 Ca -0.46 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1yx1 h GLU 76 Cb 1.20 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1yx1 h GLU 76 CO 0.62 0.13 0.00 -0.40 -1.18 0.00 0.00 179.01 178.18 1yx1 n ASP 77 N -5.22 0.00 0.00 1.04 5.68 -1.26 -4.85 116.55 111.94 1yx1 n ASP 77 Ca 0.25 -0.26 0.00 0.00 -0.50 0.00 0.00 54.79 54.28 1yx1 n ASP 77 Cb 0.80 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.64 1yx1 n ASP 77 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1yx1 n GLY 78 N 0.10 0.70 3.89 6.12 0.00 -0.08 -5.06 105.19 110.86 1yx1 n GLY 78 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1yx1 n GLY 78 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yx1 s GLN 79 N -0.62 3.44 0.26 1.61 -0.21 -1.26 -4.85 119.66 118.02 1yx1 s GLN 79 Ca 0.00 -0.25 -0.30 0.00 0.02 0.00 0.00 55.36 54.84 1yx1 s GLN 79 Cb 0.00 -3.13 -0.14 0.00 1.00 0.00 0.00 33.01 30.74 1yx1 s GLN 79 CO 0.00 0.72 1.13 1.28 -2.12 0.00 0.00 175.29 176.29 1yx1 n LEU 80 N 1.36 2.04 -4.64 2.90 4.77 -1.26 -1.54 117.00 120.63 1yx1 n LEU 80 Ca -0.15 1.17 -0.45 0.00 -0.03 0.00 0.00 56.01 56.55 1yx1 n LEU 80 Cb 0.54 -1.30 -0.04 0.00 -2.33 0.00 0.00 43.42 40.28 1yx1 n LEU 80 CO 0.39 -1.18 1.63 -3.20 -1.33 0.00 0.00 177.39 173.69 1yx1 n ASN 81 N 1.52 3.56 0.08 -1.43 2.85 0.13 -4.83 115.26 117.14 1yx1 n ASN 81 Ca 0.11 0.76 0.06 0.00 -0.11 0.00 0.00 54.58 55.40 1yx1 n ASN 81 Cb 0.30 -1.45 0.32 0.00 1.24 0.00 0.00 39.78 40.19 1yx1 n ASN 81 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1yx1 n PRO 82 N 7.48 0.08 -0.02 1.20 -0.04 -1.26 -0.73 135.00 141.70 1yx1 n PRO 82 Ca 0.25 0.55 0.12 0.00 -0.04 0.00 0.00 63.50 64.38 1yx1 n PRO 82 Cb 0.36 -1.74 0.60 0.00 -0.04 0.00 0.00 33.50 32.68 1yx1 n PRO 82 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1yx1 n GLU 83 N -1.90 1.33 0.21 0.54 -0.58 -1.26 -4.27 120.64 114.71 1yx1 n GLU 83 Ca -0.00 -0.49 -0.15 0.00 -0.42 0.00 0.00 57.16 56.09 1yx1 n GLU 83 Cb 0.03 -1.41 -0.08 0.00 -0.57 0.00 0.00 31.44 29.41 1yx1 n GLU 83 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1yx1 h LEU 84 N 1.09 -0.40 -0.42 -4.62 5.85 -1.31 -1.09 115.31 114.41 1yx1 h LEU 84 Ca 0.00 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1yx1 h LEU 84 Cb 0.23 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1yx1 h LEU 84 CO 0.00 -0.25 0.06 -0.33 -0.34 0.00 0.00 178.44 177.58 1yx1 h GLU 85 N -0.53 0.70 -0.55 1.25 5.08 -1.81 0.70 114.58 119.43 1yx1 h GLU 85 Ca -0.05 -0.19 0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1yx1 h GLU 85 Cb 0.40 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 1yx1 h GLU 85 CO 0.08 0.75 0.36 -1.35 -1.00 0.00 0.00 179.01 177.85 1yx1 h PRO 86 N 0.55 0.60 -0.14 2.33 0.11 -1.80 0.18 132.00 133.83 1yx1 h PRO 86 Ca 0.13 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.03 1yx1 h PRO 86 Cb 0.39 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.38 1yx1 h PRO 86 CO 0.01 0.39 -0.58 1.15 -0.21 0.00 0.00 178.00 178.76 1yx1 h THR 87 N 0.61 1.33 -0.80 -1.15 2.02 -0.87 -2.07 112.91 111.99 1yx1 h THR 87 Ca 0.22 -1.85 0.07 0.00 0.77 0.00 0.00 66.41 65.63 1yx1 h THR 87 Cb 0.12 2.07 -0.06 0.00 -1.74 0.00 0.00 68.15 68.53 1yx1 h THR 87 CO -0.06 0.57 0.47 -0.07 0.37 0.00 0.00 175.52 176.80 1yx1 h LEU 88 N 0.30 0.71 -0.31 2.58 3.38 -0.40 0.31 115.31 121.87 1yx1 h LEU 88 Ca -0.03 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1yx1 h LEU 88 Cb 1.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.84 1yx1 h LEU 88 CO 0.12 0.44 0.14 0.03 0.09 0.00 0.00 178.44 179.26 1yx1 h ARG 89 N 0.84 0.46 -0.33 1.13 3.08 -0.91 0.04 114.38 118.69 1yx1 h ARG 89 Ca 0.36 -0.08 0.06 0.00 0.07 0.00 0.00 59.98 60.39 1yx1 h ARG 89 Cb 0.24 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.16 1yx1 h ARG 89 CO -0.20 0.46 -0.00 -0.09 -1.07 0.00 0.00 179.97 179.07 1yx1 h ARG 90 N 0.36 0.09 -0.33 0.04 2.43 -1.11 0.93 114.38 116.80 1yx1 h ARG 90 Ca 0.11 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1yx1 h ARG 90 Cb 0.16 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 1yx1 h ARG 90 CO -0.01 0.06 0.15 0.00 -1.51 0.00 0.00 179.97 178.66 1yx1 h ALA 91 N 1.29 0.42 -0.55 2.80 0.00 -0.70 -1.95 119.26 120.58 1yx1 h ALA 91 Ca 0.16 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1yx1 h ALA 91 Cb 0.22 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1yx1 h ALA 91 CO -0.27 -0.01 0.03 1.49 0.00 0.00 0.00 179.25 180.49 1yx1 h GLU 92 N 0.39 0.95 -0.70 0.00 4.81 -0.67 -2.18 114.58 117.17 1yx1 h GLU 92 Ca 0.11 -0.29 0.11 0.00 -0.13 0.00 0.00 59.36 59.17 1yx1 h GLU 92 Cb 0.13 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.37 1yx1 h GLU 92 CO -0.01 0.94 0.46 0.00 -0.73 0.00 0.00 179.01 179.67 1yx1 h ALA 93 N 0.97 1.96 -0.00 2.92 0.00 -0.59 -0.87 119.26 123.65 1yx1 h ALA 93 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1yx1 h ALA 93 Cb 0.50 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1yx1 h ALA 93 CO 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 179.25 179.15 1yx1 n GLY 95 N 1.06 0.66 3.79 0.00 0.00 -0.33 -3.96 105.19 106.41 1yx1 n GLY 95 Ca 0.22 -0.68 -0.36 0.00 0.00 0.00 0.00 46.02 45.21 1yx1 n GLY 95 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx1 s ALA 96 N -2.00 3.06 -0.50 4.61 0.00 -0.87 -4.57 121.76 121.49 1yx1 s ALA 96 Ca 0.00 0.61 0.21 0.00 0.00 0.00 0.00 51.96 52.78 1yx1 s ALA 96 Cb 0.00 -3.24 -0.27 0.00 0.00 0.00 0.00 23.12 19.61 1yx1 s ALA 96 CO 0.00 -0.12 0.66 0.41 0.00 0.00 0.00 175.76 176.71 1yx1 n GLY 97 N 0.11 -0.95 3.00 0.00 0.00 0.69 -4.62 105.19 103.42 1yx1 n GLY 97 Ca 0.06 -0.54 -0.14 0.00 0.00 0.00 0.00 46.02 45.40 1yx1 n GLY 97 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1yx1 s TRP 98 N -3.20 0.50 -0.15 1.61 0.51 -1.15 -1.52 118.94 115.54 1yx1 s TRP 98 Ca -0.00 -0.31 -0.01 0.00 -2.12 0.00 0.00 56.10 53.66 1yx1 s TRP 98 Cb 0.14 -0.31 -0.01 0.00 -0.81 0.00 0.00 33.47 32.48 1yx1 s TRP 98 CO 0.86 -0.06 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.97 1yx1 s LEU 99 N -0.89 2.81 -0.16 2.99 2.96 -0.45 -0.88 118.68 125.06 1yx1 s LEU 99 Ca -0.05 -0.32 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 1yx1 s LEU 99 Cb -0.06 -1.66 -0.03 0.00 0.50 0.00 0.00 46.19 44.94 1yx1 s LEU 99 CO 0.00 0.13 -0.03 -0.75 -1.32 0.00 0.00 176.35 174.37 1yx1 s LYS 100 N 0.58 3.67 0.28 1.98 2.20 0.11 -0.53 119.74 128.03 1yx1 s LYS 100 Ca -0.06 -0.52 0.02 0.00 -0.36 0.00 0.00 55.97 55.05 1yx1 s LYS 100 Cb -0.15 -2.93 -0.05 0.00 -1.51 0.00 0.00 37.83 33.19 1yx1 s LYS 100 CO 0.03 0.23 0.11 0.14 -0.36 0.00 0.00 175.35 175.50 1yx1 s VAL 101 N 0.39 0.53 0.43 4.02 -7.23 -0.37 -0.97 120.40 117.20 1yx1 s VAL 101 Ca -0.04 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.13 1yx1 s VAL 101 Cb -0.14 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.18 1yx1 s VAL 101 CO 0.03 0.00 0.66 -0.44 -0.31 0.00 0.00 175.10 175.03 1yx1 s SER 102 N -3.34 6.03 0.16 4.85 0.01 -0.30 -1.25 113.70 119.85 1yx1 s SER 102 Ca 0.37 0.44 -0.05 0.00 1.31 0.00 0.00 55.95 58.01 1yx1 s SER 102 Cb 0.07 -1.80 -0.00 0.00 0.21 0.00 0.00 66.02 64.50 1yx1 s SER 102 CO 0.15 -0.57 1.41 0.25 0.41 0.00 0.00 173.24 174.88 1yx1 h LEU 103 N 0.46 0.67 0.00 2.44 5.85 -1.85 0.31 115.31 123.20 1yx1 h LEU 103 Ca -0.47 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 57.83 1yx1 h LEU 103 Cb 1.24 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 42.07 1yx1 h LEU 103 CO 0.59 1.17 0.00 0.61 -0.34 0.00 0.00 178.44 180.48 1yx1 n GLY 104 N 0.53 -0.21 3.45 3.75 0.00 -1.26 -1.56 105.19 109.89 1yx1 n GLY 104 Ca -0.05 -1.03 -0.44 0.00 0.00 0.00 0.00 46.02 44.51 1yx1 n GLY 104 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1yx1 s LEU 105 N 0.00 4.87 -0.09 0.99 2.96 -0.89 -4.01 118.68 122.51 1yx1 s LEU 105 Ca 0.00 -0.88 -0.29 0.00 -0.22 0.00 0.00 54.13 52.74 1yx1 s LEU 105 Cb 0.00 -2.49 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 1yx1 s LEU 105 CO 0.00 -0.97 1.65 -0.22 -1.32 0.00 0.00 176.35 175.49 1yx1 s LEU 106 N 2.84 4.21 0.76 -0.68 2.96 -1.26 -4.53 118.68 122.98 1yx1 s LEU 106 Ca 0.17 2.09 -0.11 0.00 -0.22 0.00 0.00 54.13 56.06 1yx1 s LEU 106 Cb -0.19 -3.53 0.05 0.00 0.50 0.00 0.00 46.19 43.02 1yx1 s LEU 106 CO 0.12 -1.02 1.08 -2.16 -1.32 0.00 0.00 176.35 173.06 1yx1 s PRO 107 N 4.21 2.34 0.62 0.98 0.04 -1.26 -4.91 135.00 137.02 1yx1 s PRO 107 Ca 0.73 1.04 0.35 0.00 0.04 0.00 0.00 61.00 63.16 1yx1 s PRO 107 Cb -0.31 -1.92 2.05 0.00 0.04 0.00 0.00 34.50 34.36 1yx1 s PRO 107 CO 0.29 -1.55 2.30 0.93 0.04 0.00 0.00 177.00 179.02 1yx1 h GLU 108 N -1.05 0.00 -2.09 4.56 4.39 -1.98 -3.30 114.58 115.11 1yx1 h GLU 108 Ca -0.44 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 58.68 1yx1 h GLU 108 Cb 1.23 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.48 1yx1 h GLU 108 CO 0.54 0.00 -0.88 0.00 -1.16 0.00 0.00 179.01 177.50 1yx1 n GLN 109 N -3.57 1.58 -2.48 2.33 0.00 -1.26 -5.11 117.38 108.87 1yx1 n GLN 109 Ca -0.03 -3.89 -0.41 0.00 0.00 0.00 0.00 57.00 52.67 1yx1 n GLN 109 Cb 0.08 -1.71 -0.04 0.00 0.00 0.00 0.00 30.24 28.56 1yx1 n GLN 109 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1yx1 s PRO 110 N -1.90 4.62 -1.04 2.61 0.04 -1.25 -4.94 135.00 133.15 1yx1 s PRO 110 Ca 0.38 1.78 -0.19 0.00 0.04 0.00 0.00 61.00 63.01 1yx1 s PRO 110 Cb 0.18 -3.22 0.11 0.00 0.04 0.00 0.00 34.50 31.61 1yx1 s PRO 110 CO -0.07 0.16 1.33 0.34 0.04 0.00 0.00 177.00 178.80 1yx1 s ASP 111 N -0.60 6.69 0.43 6.66 -1.08 -1.26 -4.78 116.67 122.73 1yx1 s ASP 111 Ca 0.46 -2.08 0.23 0.00 -0.52 0.00 0.00 52.55 50.65 1yx1 s ASP 111 Cb -0.31 -2.47 0.46 0.00 -1.46 0.00 0.00 42.92 39.14 1yx1 s ASP 111 CO 0.39 -1.15 1.64 -0.07 0.52 0.00 0.00 175.17 176.50 1yx1 h LEU 112 N 11.19 0.00 -0.30 -1.34 3.38 -1.99 -2.56 115.31 123.70 1yx1 h LEU 112 Ca 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1yx1 h LEU 112 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1yx1 h LEU 112 CO 1.26 0.10 0.08 0.00 0.09 0.00 0.00 178.44 179.97 1yx1 h ALA 113 N 1.90 0.39 -0.42 1.53 0.00 -1.98 -0.08 119.26 120.61 1yx1 h ALA 113 Ca -0.00 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.78 1yx1 h ALA 113 Cb 0.99 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1yx1 h ALA 113 CO 0.01 0.04 0.20 0.00 0.00 0.00 0.00 179.25 179.50 1yx1 h ALA 114 N 0.91 0.53 -0.11 0.00 0.00 -1.91 -0.53 119.26 118.15 1yx1 h ALA 114 Ca 0.09 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1yx1 h ALA 114 Cb 0.27 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 1yx1 h ALA 114 CO -0.00 -0.16 -0.16 1.25 0.00 0.00 0.00 179.25 180.19 1yx1 h LEU 115 N 0.41 -0.48 -0.49 0.00 5.85 -1.27 -2.05 115.31 117.28 1yx1 h LEU 115 Ca 0.18 0.09 0.09 0.00 0.84 0.00 0.00 57.88 59.08 1yx1 h LEU 115 Cb 0.10 0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.28 1yx1 h LEU 115 CO -0.13 -0.21 0.02 1.23 -0.34 0.00 0.00 178.44 179.01 1yx1 h GLY 116 N -0.20 0.52 1.46 3.75 0.00 -0.54 -1.16 103.07 106.90 1yx1 h GLY 116 Ca 0.09 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 1yx1 h GLY 116 CO -0.23 -0.12 0.23 3.21 0.00 0.00 0.00 176.54 179.62 1yx1 h ARG 117 N 0.14 0.70 -0.16 4.80 3.08 -0.54 0.40 114.38 122.80 1yx1 h ARG 117 Ca 0.25 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.11 1yx1 h ARG 117 Cb 0.37 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1yx1 h ARG 117 CO -0.39 0.56 -0.28 0.00 -1.07 0.00 0.00 179.97 178.79 1yx1 h ARG 118 N 0.70 0.47 -0.68 0.04 3.08 -0.74 -2.99 114.38 114.26 1yx1 h ARG 118 Ca 0.17 -0.29 0.02 0.00 0.07 0.00 0.00 59.98 59.95 1yx1 h ARG 118 Cb 0.10 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1yx1 h ARG 118 CO -0.02 0.89 0.45 -0.07 -1.07 0.00 0.00 179.97 180.15 1yx1 h LEU 119 N 0.09 0.76 -2.07 3.04 3.38 -0.65 -2.47 115.31 117.40 1yx1 h LEU 119 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1yx1 h LEU 119 Cb 0.86 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1yx1 h LEU 119 CO 0.06 0.54 -0.03 0.00 0.09 0.00 0.00 178.44 179.11 1yx1 h ALA 120 N 1.58 1.06 0.00 1.53 0.00 -0.80 -1.61 119.26 121.02 1yx1 h ALA 120 Ca 0.26 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1yx1 h ALA 120 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1yx1 h ALA 120 CO -0.06 0.04 0.00 0.54 0.00 0.00 0.00 179.25 179.77 1yx1 n ARG 121 N -3.20 0.21 -4.26 0.00 1.74 -0.93 -4.86 116.66 105.35 1yx1 n ARG 121 Ca -0.01 0.07 -0.14 0.00 -0.77 0.00 0.00 57.85 57.00 1yx1 n ARG 121 Cb 0.22 -1.50 -0.10 0.00 -1.02 0.00 0.00 32.46 30.05 1yx1 n ARG 121 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1yx1 s HIS 122 N -2.74 1.32 -0.38 -1.55 3.76 -0.61 -5.07 115.29 110.02 1yx1 s HIS 122 Ca 0.18 -1.09 0.07 0.00 -0.15 0.00 0.00 55.06 54.07 1yx1 s HIS 122 Cb 0.16 -0.76 0.70 0.00 1.11 0.00 0.00 32.58 33.79 1yx1 s HIS 122 CO 0.39 -0.28 1.84 0.41 -0.85 0.00 0.00 174.74 176.25 1yx1 n GLY 123 N -0.32 4.11 3.63 -2.22 0.00 -1.26 -4.96 105.19 104.18 1yx1 n GLY 123 Ca -0.04 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.59 1yx1 n GLY 123 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yx1 s LEU 124 N -3.15 3.35 0.29 0.99 1.43 -1.26 -4.92 118.68 115.41 1yx1 s LEU 124 Ca 0.55 -0.02 -0.21 0.00 -1.03 0.00 0.00 54.13 53.43 1yx1 s LEU 124 Cb 0.46 -1.84 -0.09 0.00 0.03 0.00 0.00 46.19 44.74 1yx1 s LEU 124 CO 0.12 0.32 0.81 -1.58 0.23 0.00 0.00 176.35 176.25 1yx1 s GLN 125 N -1.20 4.30 -0.11 1.70 0.74 -0.58 -4.87 119.66 119.65 1yx1 s GLN 125 Ca 0.16 0.99 -0.13 0.00 0.05 0.00 0.00 55.36 56.43 1yx1 s GLN 125 Cb -0.11 -2.71 -0.05 0.00 1.10 0.00 0.00 33.01 31.24 1yx1 s GLN 125 CO 0.06 0.28 0.29 -1.17 -0.55 0.00 0.00 175.29 174.20 1yx1 s LEU 126 N -2.29 4.34 -0.10 3.68 2.96 -0.87 -1.35 118.68 125.05 1yx1 s LEU 126 Ca 0.49 0.63 0.02 0.00 -0.22 0.00 0.00 54.13 55.05 1yx1 s LEU 126 Cb -0.15 -2.37 -0.02 0.00 0.50 0.00 0.00 46.19 44.15 1yx1 s LEU 126 CO 0.20 0.23 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.55 1yx1 s LEU 127 N -0.30 2.62 -0.19 -0.68 1.43 0.31 -1.29 118.68 120.58 1yx1 s LEU 127 Ca 0.18 -0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 52.94 1yx1 s LEU 127 Cb -0.14 -1.56 -0.00 0.00 0.03 0.00 0.00 46.19 44.52 1yx1 s LEU 127 CO 0.07 0.21 -0.11 -0.69 0.23 0.00 0.00 176.35 176.06 1yx1 s VAL 128 N 0.05 2.92 -0.11 -1.59 1.01 -0.46 -1.23 120.40 121.00 1yx1 s VAL 128 Ca -0.06 -0.66 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 1yx1 s VAL 128 Cb -0.15 -2.28 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1yx1 s VAL 128 CO 0.05 0.48 0.08 -0.70 0.00 0.00 0.00 175.10 175.00 1yx1 s GLU 129 N 1.22 3.26 0.13 2.72 2.12 -0.38 -1.06 118.70 126.71 1yx1 s GLU 129 Ca 0.02 -0.25 -0.31 0.00 0.36 0.00 0.00 54.97 54.79 1yx1 s GLU 129 Cb -0.14 -3.03 -0.09 0.00 0.26 0.00 0.00 34.13 31.13 1yx1 s GLU 129 CO -0.04 0.74 1.47 0.54 -0.54 0.00 0.00 175.26 177.43 1yx1 s ASN 130 N -0.95 6.72 0.00 -1.70 4.22 -1.15 -4.34 114.94 117.74 1yx1 s ASN 130 Ca 0.14 2.44 0.00 0.00 -2.14 0.00 0.00 52.86 53.30 1yx1 s ASN 130 Cb -0.12 -2.59 0.00 0.00 1.28 0.00 0.00 41.25 39.83 1yx1 s ASN 130 CO 0.03 -0.73 0.00 -0.90 -2.04 0.00 0.00 177.10 173.46 1yx1 n ASP 131 N 4.05 0.63 -1.21 3.54 5.68 -0.53 -4.64 116.55 124.06 1yx1 n ASP 131 Ca 0.13 -0.01 0.11 0.00 -0.50 0.00 0.00 54.79 54.52 1yx1 n ASP 131 Cb 0.41 0.00 0.26 0.00 -1.14 0.00 0.00 41.12 40.65 1yx1 n ASP 131 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1yx1 n GLN 132 N -0.00 2.61 -3.88 0.11 6.02 -1.26 -4.04 117.38 116.94 1yx1 n GLN 132 Ca 0.00 -2.45 -0.21 0.00 -0.01 0.00 0.00 57.00 54.34 1yx1 n GLN 132 Cb 0.00 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 29.72 1yx1 n GLN 132 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 1yx1 s THR 133 N -1.20 4.98 0.30 5.09 -4.23 -1.26 -4.55 115.64 114.77 1yx1 s THR 133 Ca 0.42 -1.02 -0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1yx1 s THR 133 Cb 0.23 -3.74 0.26 0.00 1.34 0.00 0.00 72.50 70.59 1yx1 s THR 133 CO 0.31 -0.30 1.97 -0.65 -0.54 0.00 0.00 174.62 175.42 1yx1 h PRO 134 N 1.14 1.06 -0.01 3.99 0.11 -1.93 0.14 132.00 136.48 1yx1 h PRO 134 Ca -0.51 -0.06 -0.20 0.00 0.11 0.00 0.00 66.00 65.34 1yx1 h PRO 134 Cb 1.24 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1yx1 h PRO 134 CO 0.59 0.70 -0.86 -0.56 -0.21 0.00 0.00 178.00 177.67 1yx1 h GLN 135 N 1.09 0.29 -0.01 1.05 -0.00 -1.96 -3.35 115.11 112.22 1yx1 h GLN 135 Ca 0.30 -0.30 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 1yx1 h GLN 135 Cb -0.10 0.08 0.00 0.00 -0.00 0.00 0.00 27.48 27.46 1yx1 h GLN 135 CO -0.07 0.99 0.00 0.41 -0.00 0.00 0.00 178.83 180.16 1yx1 n GLY 136 N 0.81 -0.77 0.00 0.06 0.00 -1.20 -4.67 105.19 99.43 1yx1 n GLY 136 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1yx1 n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yx1 n GLY 137 N 0.29 2.97 3.48 -0.02 0.00 0.49 -1.46 105.19 110.96 1yx1 n GLY 137 Ca 0.03 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1yx1 n GLY 137 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yx1 s ARG 138 N -1.01 2.30 0.15 1.61 0.52 -1.26 -4.76 118.95 116.51 1yx1 s ARG 138 Ca 0.00 -0.84 -0.16 0.00 -0.52 0.00 0.00 55.73 54.21 1yx1 s ARG 138 Cb 0.00 -2.30 0.06 0.00 0.52 0.00 0.00 34.95 33.23 1yx1 s ARG 138 CO 0.00 0.58 1.75 0.82 0.02 0.00 0.00 175.30 178.47 1yx1 h ILE 139 N 4.05 0.88 -0.10 1.52 2.04 -1.96 -2.88 117.51 121.06 1yx1 h ILE 139 Ca -0.47 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 65.33 1yx1 h ILE 139 Cb 1.16 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 1yx1 h ILE 139 CO 0.50 0.05 -0.08 -0.08 0.00 0.00 0.00 178.15 178.53 1yx1 h GLU 140 N 0.26 -0.09 0.00 2.37 4.81 -1.99 0.75 114.58 120.68 1yx1 h GLU 140 Ca 0.16 0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.28 1yx1 h GLU 140 Cb 0.15 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1yx1 h GLU 140 CO -0.18 -0.06 -0.58 -0.24 -0.73 0.00 0.00 179.01 177.22 1yx1 h VAL 141 N -0.10 1.41 -0.14 0.32 3.04 -1.92 -2.40 116.25 116.47 1yx1 h VAL 141 Ca 0.07 -1.98 -0.21 0.00 -1.01 0.00 0.00 66.70 63.57 1yx1 h VAL 141 Cb 0.20 2.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 1yx1 h VAL 141 CO -0.16 0.57 -0.75 -0.07 -1.01 0.00 0.00 177.57 176.14 1yx1 h LEU 142 N 0.00 0.79 -0.98 3.16 3.38 -1.23 -1.30 115.31 119.13 1yx1 h LEU 142 Ca -0.01 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.45 1yx1 h LEU 142 Cb 1.03 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 1yx1 h LEU 142 CO 0.08 1.29 0.59 1.05 0.09 0.00 0.00 178.44 181.54 1yx1 h GLU 143 N 0.46 1.28 -0.49 1.13 -0.00 -0.63 -0.83 114.58 115.51 1yx1 h GLU 143 Ca -0.04 -0.11 -0.01 0.00 -0.00 0.00 0.00 59.36 59.20 1yx1 h GLU 143 Cb 1.36 -0.27 -0.02 0.00 -0.00 0.00 0.00 28.75 29.81 1yx1 h GLU 143 CO 0.15 0.89 0.28 -0.09 -0.00 0.00 0.00 179.01 180.23 1yx1 h ARG 144 N 1.31 0.67 -0.04 1.06 2.43 -1.21 -1.10 114.38 117.49 1yx1 h ARG 144 Ca 0.34 -0.07 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 1yx1 h ARG 144 Cb -0.08 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.34 1yx1 h ARG 144 CO -0.07 0.50 0.01 0.35 -1.51 0.00 0.00 179.97 179.25 1yx1 h PHE 145 N 0.64 0.08 -0.47 2.20 3.57 -0.34 -2.27 116.94 120.36 1yx1 h PHE 145 Ca 0.17 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.54 1yx1 h PHE 145 Cb 0.02 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 1yx1 h PHE 145 CO -0.02 0.32 -0.20 0.74 -2.23 0.00 0.00 178.31 176.91 1yx1 h PHE 146 N -0.19 1.07 -0.15 0.41 0.04 -1.14 0.82 116.94 117.80 1yx1 h PHE 146 Ca 0.01 -0.25 0.05 0.00 2.80 0.00 0.00 57.97 60.58 1yx1 h PHE 146 Cb 0.28 -0.25 -0.05 0.00 2.20 0.00 0.00 35.95 38.12 1yx1 h PHE 146 CO 0.02 1.05 -0.19 0.00 -0.60 0.00 0.00 178.31 178.58 1yx1 h ARG 147 N 0.82 -0.22 -0.15 1.51 3.08 -1.19 -1.38 114.38 116.84 1yx1 h ARG 147 Ca 0.11 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 1yx1 h ARG 147 Cb 0.76 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.85 1yx1 h ARG 147 CO 0.06 -0.15 0.04 -0.07 -1.07 0.00 0.00 179.97 178.78 1yx1 h LEU 148 N -0.23 0.22 -0.90 3.04 3.38 -1.14 -1.97 115.31 117.71 1yx1 h LEU 148 Ca 0.11 -0.22 0.11 0.00 0.09 0.00 0.00 57.88 57.97 1yx1 h LEU 148 Cb 0.39 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1yx1 h LEU 148 CO -0.29 0.38 0.54 0.00 0.09 0.00 0.00 178.44 179.16 1yx1 h ALA 149 N 0.85 1.33 -0.42 1.53 0.00 -0.75 -1.50 119.26 120.30 1yx1 h ALA 149 Ca 0.05 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1yx1 h ALA 149 Cb 0.24 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1yx1 h ALA 149 CO -0.00 0.14 -0.26 1.49 0.00 0.00 0.00 179.25 180.61 1yx1 h GLU 150 N 0.86 0.89 -0.08 0.00 4.81 -1.02 -1.34 114.58 118.70 1yx1 h GLU 150 Ca 0.45 -0.40 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1yx1 h GLU 150 Cb 0.44 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.76 1yx1 h GLU 150 CO -0.27 1.05 -0.18 -0.09 -0.73 0.00 0.00 179.01 178.79 1yx1 h ARG 151 N 0.76 -0.24 -0.07 1.92 2.43 -0.51 -0.43 114.38 118.24 1yx1 h ARG 151 Ca 0.09 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1yx1 h ARG 151 Cb 0.82 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 1yx1 h ARG 151 CO 0.07 -0.16 0.00 1.04 -1.51 0.00 0.00 179.97 179.41 1yx1 n GLN 152 N -5.32 1.24 -3.44 0.20 3.00 -0.94 -4.93 117.38 107.19 1yx1 n GLN 152 Ca -0.04 -0.36 -0.17 0.00 -0.01 0.00 0.00 57.00 56.42 1yx1 n GLN 152 Cb 0.23 -1.24 0.08 0.00 0.00 0.00 0.00 30.24 29.32 1yx1 n GLN 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 1yx1 n GLN 153 N -0.35 -6.19 -2.35 -1.09 6.02 -0.17 -4.99 117.38 108.26 1yx1 n GLN 153 Ca 0.11 0.83 -0.35 0.00 -0.01 0.00 0.00 57.00 57.58 1yx1 n GLN 153 Cb 0.13 -5.81 -0.01 0.00 1.02 0.00 0.00 30.24 25.56 1yx1 n GLN 153 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1yx1 s LEU 154 N -6.32 3.83 -1.26 1.08 1.43 -0.73 -4.93 118.68 111.79 1yx1 s LEU 154 Ca 0.03 2.13 -0.17 0.00 -1.03 0.00 0.00 54.13 55.09 1yx1 s LEU 154 Cb -0.00 -4.51 -0.01 0.00 0.03 0.00 0.00 46.19 41.70 1yx1 s LEU 154 CO 0.74 -1.03 2.08 -0.67 0.23 0.00 0.00 176.35 177.70 1yx1 n ASP 155 N -1.03 3.63 -3.71 2.29 2.03 -1.26 -4.84 116.55 113.65 1yx1 n ASP 155 Ca 0.10 -2.80 -0.14 0.00 0.52 0.00 0.00 54.79 52.47 1yx1 n ASP 155 Cb 0.51 -1.54 -0.08 0.00 -0.72 0.00 0.00 41.12 39.29 1yx1 n ASP 155 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1yx1 s LEU 156 N 2.63 0.58 0.00 -2.67 0.05 -1.26 -2.05 118.68 115.95 1yx1 s LEU 156 Ca 0.51 0.17 0.00 0.00 0.05 0.00 0.00 54.13 54.87 1yx1 s LEU 156 Cb 0.12 1.51 0.00 0.00 -2.05 0.00 0.00 46.19 45.77 1yx1 s LEU 156 CO -0.01 -0.50 0.00 0.00 -0.55 0.00 0.00 176.35 175.30 1yx1 n ALA 157 N 1.13 0.00 -3.61 1.48 0.00 -0.41 -4.99 120.51 114.11 1yx1 n ALA 157 Ca -0.21 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.04 1yx1 n ALA 157 Cb 0.57 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.86 1yx1 n ALA 157 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1yx1 s THR 159 N 2.97 -0.23 -0.45 0.00 2.01 -0.22 -1.35 115.64 118.37 1yx1 s THR 159 Ca 0.00 0.15 -0.19 0.00 0.31 0.00 0.00 61.69 61.96 1yx1 s THR 159 Cb 0.00 -0.43 0.03 0.00 0.01 0.00 0.00 72.50 72.11 1yx1 s THR 159 CO 0.00 -0.02 0.55 0.12 -0.69 0.00 0.00 174.62 174.59 1yx1 s PHE 160 N 2.26 3.11 -0.39 4.92 5.36 -0.22 -2.95 117.98 130.07 1yx1 s PHE 160 Ca 0.04 -0.30 -0.19 0.00 -0.96 0.00 0.00 56.93 55.52 1yx1 s PHE 160 Cb -0.14 -3.20 0.01 0.00 -0.34 0.00 0.00 43.02 39.35 1yx1 s PHE 160 CO -0.08 -0.84 0.55 0.34 -1.46 0.00 0.00 175.22 173.73 1yx1 s ASP 161 N 2.07 6.30 0.25 6.13 -1.08 -1.26 -0.74 116.67 128.35 1yx1 s ASP 161 Ca 0.17 -0.23 -0.05 0.00 -0.52 0.00 0.00 52.55 51.91 1yx1 s ASP 161 Cb -0.16 -2.28 0.30 0.00 -1.46 0.00 0.00 42.92 39.32 1yx1 s ASP 161 CO 0.15 -0.60 1.92 0.40 0.52 0.00 0.00 175.17 177.56 1yx1 h ILE 162 N 5.72 1.21 0.00 4.11 2.04 -1.34 -3.09 117.51 126.16 1yx1 h ILE 162 Ca -0.27 -0.45 -0.25 0.00 1.00 0.00 0.00 64.86 64.89 1yx1 h ILE 162 Cb 1.11 -0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 1yx1 h ILE 162 CO 0.82 0.24 -1.38 1.23 0.00 0.00 0.00 178.15 179.06 1yx1 h GLY 163 N 1.31 0.00 1.77 5.37 0.00 -1.79 -3.36 103.07 106.37 1yx1 h GLY 163 Ca 0.39 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.73 1yx1 h GLY 163 CO -0.11 0.00 0.14 3.43 0.00 0.00 0.00 176.54 180.00 1yx1 h ASN 164 N 0.00 0.21 -0.52 0.19 2.35 -1.86 -1.68 115.58 114.26 1yx1 h ASN 164 Ca -0.16 -0.00 0.15 0.00 -0.55 0.00 0.00 56.30 55.74 1yx1 h ASN 164 Cb 1.90 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 40.19 1yx1 h ASN 164 CO 0.10 0.15 0.38 -0.50 -1.65 0.00 0.00 177.43 175.91 1yx1 h TRP 165 N 0.24 0.01 -0.51 1.19 4.06 -1.72 -1.04 115.95 118.19 1yx1 h TRP 165 Ca 0.08 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.08 1yx1 h TRP 165 Cb 0.02 -0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.15 1yx1 h TRP 165 CO -0.00 0.00 0.34 0.00 -3.56 0.00 0.00 178.44 175.22 1yx1 h ARG 166 N 0.01 0.48 0.00 0.49 2.47 -1.47 -1.25 114.38 115.12 1yx1 h ARG 166 Ca 0.25 -0.03 -0.03 0.00 -1.26 0.00 0.00 59.98 58.91 1yx1 h ARG 166 Cb 0.99 -0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 29.20 1yx1 h ARG 166 CO -0.00 0.32 -0.14 -1.49 0.56 0.00 0.00 179.97 179.22 1yx1 h TRP 167 N 0.50 0.00 -0.48 3.04 6.55 -1.37 -2.35 115.95 121.85 1yx1 h TRP 167 Ca 0.21 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.05 1yx1 h TRP 167 Cb 0.22 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.52 1yx1 h TRP 167 CO -0.00 0.14 0.00 1.04 -1.05 0.00 0.00 178.44 178.57 1yx1 n GLN 168 N -3.35 3.11 -3.99 0.49 1.13 -0.73 -4.96 117.38 109.08 1yx1 n GLN 168 Ca -0.00 -2.52 -0.29 0.00 -1.94 0.00 0.00 57.00 52.25 1yx1 n GLN 168 Cb 0.35 -1.59 -0.00 0.00 0.11 0.00 0.00 30.24 29.11 1yx1 n GLN 168 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1yx1 n GLU 169 N 0.70 -4.01 -4.25 -1.09 1.02 -0.88 -4.98 120.64 107.14 1yx1 n GLU 169 Ca 0.19 0.47 -0.35 0.00 -0.02 0.00 0.00 57.16 57.45 1yx1 n GLU 169 Cb 0.67 -5.01 -0.09 0.00 -0.02 0.00 0.00 31.44 26.99 1yx1 n GLU 169 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1yx1 s GLN 170 N -6.60 3.21 -0.18 3.49 -1.52 -0.55 -5.03 119.66 112.48 1yx1 s GLN 170 Ca 0.37 -0.36 -0.29 0.00 -1.95 0.00 0.00 55.36 53.14 1yx1 s GLN 170 Cb -0.20 -2.92 0.00 0.00 -0.22 0.00 0.00 33.01 29.68 1yx1 s GLN 170 CO 0.88 0.65 1.04 0.00 -0.25 0.00 0.00 175.29 177.60 1yx1 s ALA 171 N -0.71 3.58 0.27 6.09 0.00 -1.26 -4.19 121.76 125.54 1yx1 s ALA 171 Ca 0.12 0.26 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 1yx1 s ALA 171 Cb -0.12 -3.51 0.47 0.00 0.00 0.00 0.00 23.12 19.97 1yx1 s ALA 171 CO 0.02 -0.88 1.84 0.00 0.00 0.00 0.00 175.76 176.74 1yx1 h ALA 172 N 7.34 1.40 -0.66 0.00 0.00 -1.93 -0.29 119.26 125.12 1yx1 h ALA 172 Ca -0.24 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1yx1 h ALA 172 Cb 1.09 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1yx1 h ALA 172 CO 0.93 0.27 0.33 0.38 0.00 0.00 0.00 179.25 181.16 1yx1 h ASP 173 N 1.01 0.85 -0.48 0.00 2.03 -1.97 0.69 116.42 118.55 1yx1 h ASP 173 Ca 0.46 -0.12 -0.06 0.00 -0.73 0.00 0.00 57.03 56.57 1yx1 h ASP 173 Cb 0.36 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.62 1yx1 h ASP 173 CO -0.23 0.73 0.05 -0.08 -1.03 0.00 0.00 179.24 178.68 1yx1 h GLU 174 N 0.91 0.81 -0.62 4.15 4.81 -1.85 -1.11 114.58 121.69 1yx1 h GLU 174 Ca 0.23 -0.23 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1yx1 h GLU 174 Cb 0.09 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.33 1yx1 h GLU 174 CO -0.03 0.84 0.33 0.00 -0.73 0.00 0.00 179.01 179.42 1yx1 h ALA 175 N 0.94 0.81 -0.21 2.92 0.00 -0.80 -0.89 119.26 122.04 1yx1 h ALA 175 Ca 0.14 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1yx1 h ALA 175 Cb 0.44 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1yx1 h ALA 175 CO 0.02 0.01 0.06 0.00 0.00 0.00 0.00 179.25 179.33 1yx1 h ALA 176 N 1.32 0.28 -0.51 0.00 0.00 -0.70 0.38 119.26 120.03 1yx1 h ALA 176 Ca 0.27 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1yx1 h ALA 176 Cb 0.17 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1yx1 h ALA 176 CO -0.17 -0.09 0.22 1.25 0.00 0.00 0.00 179.25 180.45 1yx1 h LEU 177 N 0.17 0.27 0.12 0.00 5.85 -1.04 0.84 115.31 121.51 1yx1 h LEU 177 Ca 0.07 0.05 -0.28 0.00 0.84 0.00 0.00 57.88 58.55 1yx1 h LEU 177 Cb 0.24 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 1yx1 h LEU 177 CO -0.00 0.19 -1.32 0.03 -0.34 0.00 0.00 178.44 176.99 1yx1 h ARG 178 N 0.42 0.25 -0.01 1.25 3.08 -0.91 -3.38 114.38 115.07 1yx1 h ARG 178 Ca 0.24 -0.42 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1yx1 h ARG 178 Cb 0.21 0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1yx1 h ARG 178 CO -0.21 1.16 -0.14 1.28 -1.07 0.00 0.00 179.97 180.99 1yx1 n LEU 179 N -3.49 1.61 0.11 3.04 4.77 0.13 -4.73 117.00 118.44 1yx1 n LEU 179 Ca -0.10 -0.86 0.04 0.00 -0.03 0.00 0.00 56.01 55.05 1yx1 n LEU 179 Cb 1.03 0.00 0.45 0.00 -2.33 0.00 0.00 43.42 42.56 1yx1 n LEU 179 CO 0.52 0.31 1.00 1.23 -1.33 0.00 0.00 177.39 179.12 1yx1 h GLY 180 N 2.47 0.29 2.00 -0.72 0.00 -0.96 -1.69 103.07 104.47 1yx1 h GLY 180 Ca 0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1yx1 h GLY 180 CO 0.00 0.14 -0.01 0.07 0.00 0.00 0.00 176.54 176.74 1yx1 h ARG 181 N 0.27 0.00 -0.01 4.80 0.11 -1.82 -2.72 114.38 115.00 1yx1 h ARG 181 Ca 0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.14 1yx1 h ARG 181 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1yx1 h ARG 181 CO 0.00 0.01 -0.30 0.66 0.10 0.00 0.00 179.97 180.45 1yx1 n TYR 182 N -3.17 0.00 -2.74 4.08 4.01 -0.64 -4.92 117.16 113.79 1yx1 n TYR 182 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.29 1yx1 n TYR 182 Cb 0.13 -0.07 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 1yx1 n TYR 182 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1yx1 s VAL 183 N -2.43 4.77 -0.84 -0.72 1.01 -1.03 -4.71 120.40 116.45 1yx1 s VAL 183 Ca 0.24 1.90 0.07 0.00 0.00 0.00 0.00 61.98 64.20 1yx1 s VAL 183 Cb 0.19 -4.26 0.04 0.00 0.00 0.00 0.00 36.38 32.35 1yx1 s VAL 183 CO 0.51 -0.07 0.66 0.61 0.00 0.00 0.00 175.10 176.81 1yx1 n GLY 184 N 3.32 -0.52 3.63 4.51 0.00 -1.26 -4.45 105.19 110.42 1yx1 n GLY 184 Ca 0.09 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 1yx1 n GLY 184 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1yx1 s TYR 185 N -0.81 -0.71 -0.10 1.61 5.04 -1.26 -4.17 117.35 116.95 1yx1 s TYR 185 Ca 0.08 1.71 0.04 0.00 -2.44 0.00 0.00 57.07 56.45 1yx1 s TYR 185 Cb 0.06 0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.69 1yx1 s TYR 185 CO 0.13 -0.34 -0.22 0.08 -1.34 0.00 0.00 175.55 173.85 1yx1 s VAL 186 N 0.42 1.91 -0.28 3.14 1.01 -0.25 -1.06 120.40 125.30 1yx1 s VAL 186 Ca 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 61.98 60.96 1yx1 s VAL 186 Cb -0.05 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1yx1 s VAL 186 CO -0.02 0.53 0.15 -1.00 0.00 0.00 0.00 175.10 174.75 1yx1 s HIS 187 N 0.45 3.17 -0.22 5.22 3.76 0.08 0.34 115.29 128.09 1yx1 s HIS 187 Ca -0.17 -0.17 -0.09 0.00 -0.15 0.00 0.00 55.06 54.49 1yx1 s HIS 187 Cb -0.17 -2.33 -0.04 0.00 1.11 0.00 0.00 32.58 31.14 1yx1 s HIS 187 CO 0.07 -0.28 0.10 0.00 -0.85 0.00 0.00 174.74 173.78 1yx1 s LYS 189 N 0.84 0.96 0.35 0.00 -2.85 -1.26 -1.77 119.74 116.01 1yx1 s LYS 189 Ca 0.05 0.40 -0.00 0.00 -1.00 0.00 0.00 55.97 55.41 1yx1 s LYS 189 Cb -0.13 0.46 -0.03 0.00 -2.06 0.00 0.00 37.83 36.06 1yx1 s LYS 189 CO 0.02 -0.26 0.56 0.00 0.10 0.00 0.00 175.35 175.78 1yx1 s ALA 190 N -0.81 3.67 -0.02 0.59 0.00 -0.96 -3.83 121.76 120.40 1yx1 s ALA 190 Ca -0.08 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1yx1 s ALA 190 Cb -0.02 -2.16 0.03 0.00 0.00 0.00 0.00 23.12 20.97 1yx1 s ALA 190 CO 0.07 -0.01 0.02 0.08 0.00 0.00 0.00 175.76 175.92 1yx1 s VAL 191 N -2.32 0.03 0.21 0.00 1.01 -1.26 -0.51 120.40 117.55 1yx1 s VAL 191 Ca 0.41 0.17 0.09 0.00 0.00 0.00 0.00 61.98 62.64 1yx1 s VAL 191 Cb -0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.08 1yx1 s VAL 191 CO 0.36 0.11 -0.16 0.27 0.00 0.00 0.00 175.10 175.68 1yx1 s ILE 192 N 1.05 1.86 -0.21 2.22 -4.36 -0.39 -4.96 121.20 116.43 1yx1 s ILE 192 Ca -0.09 -2.16 -0.19 0.00 -0.26 0.00 0.00 60.65 57.94 1yx1 s ILE 192 Cb -0.13 -2.03 -0.03 0.00 1.25 0.00 0.00 42.46 41.52 1yx1 s ILE 192 CO -0.02 -0.50 0.57 -0.60 0.24 0.00 0.00 174.94 174.63 1yx1 s ARG 193 N -3.41 4.18 1.13 0.37 3.52 -1.26 -0.70 118.95 122.79 1yx1 s ARG 193 Ca 0.22 0.50 -0.19 0.00 -0.13 0.00 0.00 55.73 56.13 1yx1 s ARG 193 Cb -0.03 -3.58 0.27 0.00 -1.56 0.00 0.00 34.95 30.05 1yx1 s ARG 193 CO 0.08 -0.22 1.22 0.27 -0.81 0.00 0.00 175.30 175.84 1yx1 n ASN 194 N 5.01 -1.09 0.12 -2.12 0.23 0.12 -4.82 115.26 112.71 1yx1 n ASN 194 Ca -0.03 -1.32 0.17 0.00 -0.53 0.00 0.00 54.58 52.86 1yx1 n ASN 194 Cb 0.50 -1.03 0.72 0.00 -2.08 0.00 0.00 39.78 37.90 1yx1 n ASN 194 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1yx1 h ARG 195 N 0.00 0.00 -0.47 -3.83 3.08 -1.98 0.01 114.38 111.19 1yx1 h ARG 195 Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.62 1yx1 h ARG 195 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 1yx1 h ARG 195 CO 0.29 0.00 0.00 -0.25 -1.07 0.00 0.00 179.97 178.94 1yx1 n ASP 196 N -4.22 2.53 0.00 7.04 8.00 -1.26 -4.92 116.55 123.72 1yx1 n ASP 196 Ca 0.05 -2.00 0.00 0.00 0.71 0.00 0.00 54.79 53.54 1yx1 n ASP 196 Cb 0.41 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1yx1 n ASP 196 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yx1 n GLY 197 N 1.25 0.62 3.83 0.44 0.00 -0.01 -5.04 105.19 106.28 1yx1 n GLY 197 Ca 0.16 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1yx1 n GLY 197 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1yx1 s LYS 198 N -0.36 3.82 0.17 1.61 2.20 -1.26 -4.72 119.74 121.20 1yx1 s LYS 198 Ca 0.00 0.19 -0.30 0.00 -0.36 0.00 0.00 55.97 55.50 1yx1 s LYS 198 Cb 0.00 -3.24 -0.08 0.00 -1.51 0.00 0.00 37.83 33.00 1yx1 s LYS 198 CO 0.00 0.65 1.21 -0.51 -0.36 0.00 0.00 175.35 176.34 1yx1 s LEU 199 N -0.82 4.44 -0.02 5.43 1.43 -1.26 0.10 118.68 127.98 1yx1 s LEU 199 Ca 0.20 2.23 0.01 0.00 -1.03 0.00 0.00 54.13 55.53 1yx1 s LEU 199 Cb -0.15 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.48 1yx1 s LEU 199 CO 0.09 -0.40 -0.01 -0.69 0.23 0.00 0.00 176.35 175.57 1yx1 s VAL 200 N 0.09 0.17 0.19 -1.59 1.01 0.12 -4.92 120.40 115.47 1yx1 s VAL 200 Ca 0.54 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 1yx1 s VAL 200 Cb -0.33 -0.21 -0.08 0.00 0.00 0.00 0.00 36.38 35.76 1yx1 s VAL 200 CO 0.36 0.10 1.12 0.00 0.00 0.00 0.00 175.10 176.68 1yx1 s ALA 201 N 0.49 3.39 0.09 5.51 0.00 -1.26 -1.26 121.76 128.72 1yx1 s ALA 201 Ca -0.05 0.85 -0.02 0.00 0.00 0.00 0.00 51.96 52.74 1yx1 s ALA 201 Cb -0.07 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 1yx1 s ALA 201 CO -0.01 -0.24 0.04 0.14 0.00 0.00 0.00 175.76 175.69 1yx1 s VAL 202 N -0.28 0.16 0.71 0.00 -7.23 0.33 -4.72 120.40 109.37 1yx1 s VAL 202 Ca 0.50 -1.77 -0.15 0.00 -1.81 0.00 0.00 61.98 58.75 1yx1 s VAL 202 Cb -0.30 -1.72 0.03 0.00 0.56 0.00 0.00 36.38 34.95 1yx1 s VAL 202 CO 0.36 -0.73 1.17 -2.84 -0.31 0.00 0.00 175.10 172.75 1yx1 s PRO 203 N -3.97 2.35 0.50 4.82 0.02 -1.26 -2.26 135.00 135.21 1yx1 s PRO 203 Ca 0.14 1.62 -0.20 0.00 0.02 0.00 0.00 61.00 62.58 1yx1 s PRO 203 Cb 0.07 -1.87 -0.08 0.00 0.02 0.00 0.00 34.50 32.64 1yx1 s PRO 203 CO -0.05 -1.64 1.05 -1.25 -0.33 0.00 0.00 177.00 174.78 1yx1 s PRO 204 N -3.99 3.70 0.79 5.54 0.04 -1.26 -4.72 135.00 135.10 1yx1 s PRO 204 Ca 0.71 1.39 -0.07 0.00 0.04 0.00 0.00 61.00 63.07 1yx1 s PRO 204 Cb -0.26 -2.08 0.13 0.00 0.04 0.00 0.00 34.50 32.34 1yx1 s PRO 204 CO 0.44 -0.52 1.10 -1.54 0.04 0.00 0.00 177.00 176.52 1yx1 s SER 205 N -2.01 4.07 0.29 6.66 1.04 -1.26 -4.92 113.70 117.58 1yx1 s SER 205 Ca 0.68 0.06 -0.02 0.00 0.48 0.00 0.00 55.95 57.15 1yx1 s SER 205 Cb -0.17 -0.41 0.42 0.00 0.10 0.00 0.00 66.02 65.96 1yx1 s SER 205 CO 0.22 -2.07 1.93 0.00 0.98 0.00 0.00 173.24 174.30 1yx1 h ALA 206 N -0.91 1.36 -0.81 5.32 0.00 -2.00 -1.79 119.26 120.44 1yx1 h ALA 206 Ca -0.41 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.43 1yx1 h ALA 206 Cb 1.27 -0.31 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1yx1 h ALA 206 CO 0.45 0.55 0.52 0.00 0.00 0.00 0.00 179.25 180.77 1yx1 h ALA 207 N 1.44 1.04 -0.64 0.00 0.00 -2.00 -2.07 119.26 117.03 1yx1 h ALA 207 Ca 0.28 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1yx1 h ALA 207 Cb -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1yx1 h ALA 207 CO -0.05 0.37 0.23 -0.44 0.00 0.00 0.00 179.25 179.36 1yx1 h ASP 208 N 1.04 0.91 -0.62 0.00 3.32 -1.72 -1.92 116.42 117.44 1yx1 h ASP 208 Ca 0.31 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 1yx1 h ASP 208 Cb -0.04 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 1yx1 h ASP 208 CO -0.09 0.86 0.24 -0.07 -1.72 0.00 0.00 179.24 178.46 1yx1 h LEU 209 N 0.92 0.86 -0.99 1.55 3.38 -0.98 0.18 115.31 120.23 1yx1 h LEU 209 Ca 0.21 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 1yx1 h LEU 209 Cb 0.25 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1yx1 h LEU 209 CO -0.01 0.80 -0.04 1.56 0.09 0.00 0.00 178.44 180.84 1yx1 h GLN 210 N 0.87 0.68 -0.34 1.13 4.20 -1.21 -1.61 115.11 118.83 1yx1 h GLN 210 Ca 0.21 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 1yx1 h GLN 210 Cb 0.21 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.90 1yx1 h GLN 210 CO -0.02 0.73 -0.05 -0.92 -0.67 0.00 0.00 178.83 177.89 1yx1 h TYR 211 N 0.64 0.71 -0.83 2.96 3.20 -0.68 -2.83 116.97 120.13 1yx1 h TYR 211 Ca 0.12 -0.14 0.06 0.00 3.14 0.00 0.00 58.73 61.91 1yx1 h TYR 211 Cb 0.46 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 1yx1 h TYR 211 CO 0.02 0.78 0.54 -1.49 -1.64 0.00 0.00 178.16 176.38 1yx1 h TRP 212 N 0.42 0.95 -0.89 -3.82 6.55 -0.40 -1.04 115.95 117.72 1yx1 h TRP 212 Ca 0.09 0.02 0.02 0.00 0.95 0.00 0.00 58.89 59.97 1yx1 h TRP 212 Cb 0.54 -0.31 -0.05 0.00 -0.86 0.00 0.00 29.16 28.48 1yx1 h TRP 212 CO 0.05 0.52 0.59 0.37 -1.05 0.00 0.00 178.44 178.91 1yx1 h GLN 213 N 0.95 1.14 -0.42 0.49 4.15 -1.07 -0.32 115.11 120.04 1yx1 h GLN 213 Ca 0.35 -0.07 -0.15 0.00 0.77 0.00 0.00 58.65 59.55 1yx1 h GLN 213 Cb 0.17 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.59 1yx1 h GLN 213 CO -0.12 0.76 -0.31 0.00 -1.93 0.00 0.00 178.83 177.23 1yx1 h ARG 214 N 1.18 0.96 -0.95 1.69 3.08 -1.12 -2.88 114.38 116.34 1yx1 h ARG 214 Ca 0.33 -0.46 0.03 0.00 0.07 0.00 0.00 59.98 59.95 1yx1 h ARG 214 Cb -0.10 -0.00 -0.05 0.00 0.08 0.00 0.00 29.97 29.90 1yx1 h ARG 214 CO -0.08 1.13 0.62 -0.07 -1.07 0.00 0.00 179.97 180.50 1yx1 h LEU 215 N 0.79 1.04 -2.14 3.04 3.38 -0.60 -2.39 115.31 118.44 1yx1 h LEU 215 Ca 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1yx1 h LEU 215 Cb 0.90 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 1yx1 h LEU 215 CO 0.08 0.72 -0.04 -0.07 0.09 0.00 0.00 178.44 179.23 1yx1 h LEU 216 N 1.21 0.00 -2.34 1.67 3.38 -0.86 -1.19 115.31 117.18 1yx1 h LEU 216 Ca 0.37 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.34 1yx1 h LEU 216 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1yx1 h LEU 216 CO -0.11 0.04 0.00 1.56 0.09 0.00 0.00 178.44 180.02 1yx1 h GLN 217 N 0.00 0.00 0.00 1.13 4.20 -1.31 -2.22 115.11 116.91 1yx1 h GLN 217 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1yx1 h GLN 217 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1yx1 h GLN 217 CO 0.01 0.00 -0.51 0.72 -0.67 0.00 0.00 178.83 178.38 1yx1 n HIS 218 N -2.75 0.18 -4.22 2.96 8.25 -0.45 -4.92 115.22 114.27 1yx1 n HIS 218 Ca -0.02 0.05 -0.25 0.00 -0.26 0.00 0.00 57.72 57.24 1yx1 n HIS 218 Cb 0.06 -0.40 -0.07 0.00 1.12 0.00 0.00 29.99 30.70 1yx1 n HIS 218 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1yx1 s PHE 219 N -3.06 2.83 0.29 4.41 0.08 -0.84 -4.01 117.98 117.68 1yx1 s PHE 219 Ca 0.10 -0.16 -0.29 0.00 0.12 0.00 0.00 56.93 56.69 1yx1 s PHE 219 Cb 0.16 -1.32 -0.13 0.00 -0.57 0.00 0.00 43.02 41.16 1yx1 s PHE 219 CO 0.69 0.55 1.20 -2.30 -0.10 0.00 0.00 175.22 175.27 1yx1 n PRO 220 N -0.52 1.74 -1.70 0.24 -0.02 -1.26 -4.81 135.00 128.66 1yx1 n PRO 220 Ca -0.08 0.61 -0.44 0.00 -2.02 0.00 0.00 63.50 61.57 1yx1 n PRO 220 Cb 0.57 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 1yx1 n PRO 220 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1yx1 n GLU 221 N 1.04 2.30 -0.81 -0.52 2.13 -1.26 -2.32 120.64 121.20 1yx1 n GLU 221 Ca 0.09 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.73 1yx1 n GLU 221 Cb 0.33 -2.53 0.00 0.00 0.27 0.00 0.00 31.44 29.51 1yx1 n GLU 221 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yx1 n GLY 222 N 2.17 0.62 3.75 8.31 0.00 -1.26 -5.02 105.19 113.76 1yx1 n GLY 222 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 1yx1 n GLY 222 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1yx1 n VAL 223 N -2.75 2.55 -1.82 1.61 3.14 -0.98 -4.54 118.33 115.53 1yx1 n VAL 223 Ca 0.00 -0.50 -0.41 0.00 -2.96 0.00 0.00 64.34 60.47 1yx1 n VAL 223 Cb 0.00 -1.80 -0.01 0.00 -1.06 0.00 0.00 33.84 30.97 1yx1 n VAL 223 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1yx1 s ALA 224 N -1.17 3.62 -0.04 1.55 0.00 -1.26 -4.71 121.76 119.74 1yx1 s ALA 224 Ca 0.59 1.55 0.05 0.00 0.00 0.00 0.00 51.96 54.16 1yx1 s ALA 224 Cb -0.47 -3.61 -0.01 0.00 0.00 0.00 0.00 23.12 19.03 1yx1 s ALA 224 CO 0.59 -1.01 -0.21 -0.98 0.00 0.00 0.00 175.76 174.15 1yx1 s ARG 225 N -1.63 2.07 -0.04 0.00 1.70 -0.85 -1.09 118.95 119.11 1yx1 s ARG 225 Ca 0.55 -0.75 0.03 0.00 -0.47 0.00 0.00 55.73 55.09 1yx1 s ARG 225 Cb -0.46 -1.81 -0.03 0.00 -0.57 0.00 0.00 34.95 32.08 1yx1 s ARG 225 CO 0.58 0.33 -0.10 0.00 -1.08 0.00 0.00 175.30 175.03 1yx1 s ALA 226 N -0.12 2.85 -0.28 7.88 0.00 0.15 -0.68 121.76 131.57 1yx1 s ALA 226 Ca -0.02 -0.96 -0.26 0.00 0.00 0.00 0.00 51.96 50.71 1yx1 s ALA 226 Cb -0.12 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 21.92 1yx1 s ALA 226 CO 0.02 0.57 0.93 0.42 0.00 0.00 0.00 175.76 177.70 1yx1 s ILE 227 N -0.82 4.71 -0.43 0.00 1.01 -0.05 -0.41 121.20 125.21 1yx1 s ILE 227 Ca 0.13 1.61 0.09 0.00 0.00 0.00 0.00 60.65 62.49 1yx1 s ILE 227 Cb -0.11 -4.24 0.31 0.00 0.01 0.00 0.00 42.46 38.43 1yx1 s ILE 227 CO 0.02 -0.24 0.71 1.21 0.00 0.00 0.00 174.94 176.64 1yx1 n GLU 228 N 6.34 1.37 -3.83 2.79 2.13 -0.73 -1.33 120.64 127.38 1yx1 n GLU 228 Ca 0.08 -3.67 -0.09 0.00 0.66 0.00 0.00 57.16 54.14 1yx1 n GLU 228 Cb 0.47 -1.70 -0.06 0.00 0.27 0.00 0.00 31.44 30.42 1yx1 n GLU 228 CO 0.00 0.00 0.00 1.52 -0.41 0.00 0.00 177.13 178.24 1yx1 s TYR 229 N -2.25 0.13 0.04 4.31 -0.85 -1.26 -4.62 117.35 112.85 1yx1 s TYR 229 Ca 0.40 -0.51 -0.34 0.00 -0.52 0.00 0.00 57.07 56.10 1yx1 s TYR 229 Cb 0.27 0.06 -0.13 0.00 0.38 0.00 0.00 41.96 42.54 1yx1 s TYR 229 CO -0.09 -0.68 1.72 -2.30 -1.52 0.00 0.00 175.55 172.68 1yx1 n PRO 230 N -0.18 2.14 -3.94 -3.49 -0.02 -1.26 -4.53 135.00 123.73 1yx1 n PRO 230 Ca -0.12 0.78 -0.33 0.00 -2.02 0.00 0.00 63.50 61.81 1yx1 n PRO 230 Cb 0.63 -2.58 -0.14 0.00 -0.02 0.00 0.00 33.50 31.39 1yx1 n PRO 230 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1yx1 s LEU 231 N 2.41 4.82 -0.02 2.45 1.43 0.58 -4.63 118.68 125.72 1yx1 s LEU 231 Ca 0.86 -2.04 0.01 0.00 -1.03 0.00 0.00 54.13 51.92 1yx1 s LEU 231 Cb -0.69 -1.69 0.01 0.00 0.03 0.00 0.00 46.19 43.85 1yx1 s LEU 231 CO 0.45 -0.42 -0.05 -1.10 0.23 0.00 0.00 176.35 175.46 1yx1 s GLN 232 N 1.00 0.62 0.00 1.70 -0.21 -1.26 -4.38 119.66 117.13 1yx1 s GLN 232 Ca 0.08 -0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.33 1yx1 s GLN 232 Cb -0.20 -0.64 0.00 0.00 1.00 0.00 0.00 33.01 33.17 1yx1 s GLN 232 CO -0.06 0.01 0.00 0.41 -2.12 0.00 0.00 175.29 173.53 1yx1 n GLY 233 N 3.56 1.17 0.22 3.09 0.00 -1.26 -5.02 105.19 106.95 1yx1 n GLY 233 Ca -0.20 -0.91 0.11 0.00 0.00 0.00 0.00 46.02 45.02 1yx1 n GLY 233 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yx1 h ASP 234 N 0.00 0.00 -3.67 1.61 3.32 -2.06 -3.38 116.42 112.24 1yx1 h ASP 234 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 1yx1 h ASP 234 Cb 0.00 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.15 1yx1 h ASP 234 CO 0.00 0.03 -0.71 -0.62 -1.72 0.00 0.00 179.24 176.22 1yx1 s ASP 235 N -6.22 4.01 0.32 6.45 -1.08 -1.26 -4.98 116.67 113.91 1yx1 s ASP 235 Ca 0.07 -2.49 0.15 0.00 -0.52 0.00 0.00 52.55 49.76 1yx1 s ASP 235 Cb 0.05 -1.22 0.49 0.00 -1.46 0.00 0.00 42.92 40.78 1yx1 s ASP 235 CO 0.67 -0.30 1.66 -0.07 0.52 0.00 0.00 175.17 177.65 1yx1 h LEU 236 N 7.02 0.00 -0.13 -1.34 3.38 -1.99 -1.82 115.31 120.44 1yx1 h LEU 236 Ca -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1yx1 h LEU 236 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1yx1 h LEU 236 CO 0.53 0.50 0.00 0.25 0.09 0.00 0.00 178.44 179.81 1yx1 h LEU 237 N 0.00 0.22 -0.37 1.67 5.85 -1.93 0.25 115.31 120.99 1yx1 h LEU 237 Ca -0.00 -0.31 -0.08 0.00 0.84 0.00 0.00 57.88 58.33 1yx1 h LEU 237 Cb 1.03 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.99 1yx1 h LEU 237 CO 0.06 0.47 -0.09 0.28 -0.34 0.00 0.00 178.44 178.83 1yx1 h SER 238 N -0.04 0.73 -0.18 1.25 0.02 -1.97 -0.50 113.55 112.86 1yx1 h SER 238 Ca 0.04 -0.36 0.04 0.00 -0.84 0.00 0.00 61.79 60.66 1yx1 h SER 238 Cb 0.36 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 1yx1 h SER 238 CO 0.01 0.92 -0.07 0.25 -1.14 0.00 0.00 176.83 176.79 1yx1 h LEU 239 N 0.52 -0.25 -0.78 5.07 5.85 -1.32 -1.26 115.31 123.15 1yx1 h LEU 239 Ca 0.09 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1yx1 h LEU 239 Cb 0.60 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.74 1yx1 h LEU 239 CO 0.04 -0.10 0.40 0.28 -0.34 0.00 0.00 178.44 178.72 1yx1 h SER 240 N -0.05 0.99 -0.65 1.25 0.02 -0.75 -1.52 113.55 112.85 1yx1 h SER 240 Ca 0.09 -0.12 0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1yx1 h SER 240 Cb 0.19 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1yx1 h SER 240 CO -0.21 0.83 0.42 -0.09 -1.14 0.00 0.00 176.83 176.64 1yx1 h ARG 241 N 1.08 0.84 -0.52 3.45 1.12 -0.79 0.12 114.38 119.68 1yx1 h ARG 241 Ca 0.27 -0.05 -0.11 0.00 -1.11 0.00 0.00 59.98 58.98 1yx1 h ARG 241 Cb 0.08 -0.19 -0.02 0.00 -0.01 0.00 0.00 29.97 29.83 1yx1 h ARG 241 CO -0.04 0.55 -0.11 0.00 -3.11 0.00 0.00 179.97 177.26 1yx1 h ARG 242 N 0.86 0.97 -0.32 0.20 3.08 -0.82 -1.17 114.38 117.19 1yx1 h ARG 242 Ca 0.24 -0.36 -0.16 0.00 0.07 0.00 0.00 59.98 59.77 1yx1 h ARG 242 Cb -0.08 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 29.90 1yx1 h ARG 242 CO -0.06 1.03 -0.44 0.45 -1.07 0.00 0.00 179.97 179.88 1yx1 h HIS 243 N 0.87 1.05 -0.10 3.04 3.86 -0.99 -2.37 115.15 120.51 1yx1 h HIS 243 Ca 0.14 -0.35 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 1yx1 h HIS 243 Cb 0.67 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 1yx1 h HIS 243 CO 0.04 1.16 0.06 0.82 0.86 0.00 0.00 177.93 180.87 1yx1 h ILE 244 N 0.64 1.01 -0.64 2.45 2.04 -0.68 -2.26 117.51 120.08 1yx1 h ILE 244 Ca 0.03 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 65.93 1yx1 h ILE 244 Cb 1.04 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 1yx1 h ILE 244 CO 0.10 0.02 0.31 0.00 0.00 0.00 0.00 178.15 178.59 1yx1 h ALA 245 N 1.04 0.85 -0.79 1.87 0.00 -1.19 0.33 119.26 121.37 1yx1 h ALA 245 Ca 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1yx1 h ALA 245 Cb -0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 1yx1 h ALA 245 CO -0.02 -0.06 0.47 0.00 0.00 0.00 0.00 179.25 179.64 1yx1 h ALA 246 N 1.37 1.01 -0.11 0.00 0.00 -1.25 -2.44 119.26 117.84 1yx1 h ALA 246 Ca 0.30 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.87 1yx1 h ALA 246 Cb 0.27 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.75 1yx1 h ALA 246 CO -0.23 0.49 -0.86 1.25 0.00 0.00 0.00 179.25 179.90 1yx1 h LEU 247 N 1.09 0.94 -1.73 0.00 5.85 -0.76 -3.27 115.31 117.44 1yx1 h LEU 247 Ca 0.28 -0.66 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 1yx1 h LEU 247 Cb -0.02 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 1yx1 h LEU 247 CO -0.05 1.46 -0.17 0.00 -0.34 0.00 0.00 178.44 179.34 1yx1 h ALA 248 N 0.51 1.38 0.00 1.25 0.00 -0.18 -2.55 119.26 119.66 1yx1 h ALA 248 Ca -0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1yx1 h ALA 248 Cb 1.50 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1yx1 h ALA 248 CO 0.18 0.22 -0.18 -2.13 0.00 0.00 0.00 179.25 177.33 1yx1 n ARG 249 N -3.84 0.06 -2.45 0.00 0.63 -0.94 -1.89 116.66 108.24 1yx1 n ARG 249 Ca -0.02 0.04 -0.43 0.00 -0.92 0.00 0.00 57.85 56.52 1yx1 n ARG 249 Cb 0.27 -1.56 -0.02 0.00 0.45 0.00 0.00 32.46 31.60 1yx1 n ARG 249 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1yx1 s LEU 250 N -3.32 4.13 0.00 6.15 1.43 -0.96 -4.87 118.68 121.23 1yx1 s LEU 250 Ca 0.12 1.58 0.00 0.00 -1.03 0.00 0.00 54.13 54.80 1yx1 s LEU 250 Cb 0.17 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.85 1yx1 s LEU 250 CO 0.60 -0.80 0.00 0.61 0.23 0.00 0.00 176.35 176.99 1yx1 n GLY 251 N 3.69 -1.16 0.42 -3.19 0.00 -1.26 -4.93 105.19 98.76 1yx1 n GLY 251 Ca 0.14 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 45.27 1yx1 n GLY 251 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26