#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 3.45 0.32 -1.77 3.76 0.36 -5.03 115.29 116.38 1yx1 s HIS 4 Ca 0.00 0.79 -0.28 0.00 -0.15 0.00 0.00 55.06 55.42 1yx1 s HIS 4 Cb 0.00 -2.21 -0.10 0.00 1.11 0.00 0.00 32.58 31.38 1yx1 s HIS 4 CO 0.00 0.23 1.22 -1.25 -0.85 0.00 0.00 174.74 174.09 1yx1 s PRO 5 N -3.08 4.40 -0.03 8.40 0.04 -1.26 -4.59 135.00 138.87 1yx1 s PRO 5 Ca 0.46 2.04 0.05 0.00 0.04 0.00 0.00 61.00 63.60 1yx1 s PRO 5 Cb -0.11 -3.05 -0.01 0.00 0.04 0.00 0.00 34.50 31.37 1yx1 s PRO 5 CO 0.25 -0.08 -0.19 0.08 0.04 0.00 0.00 177.00 177.09 1yx1 s VAL 6 N -1.18 1.54 0.19 -0.36 1.01 -1.26 -1.84 120.40 118.50 1yx1 s VAL 6 Ca 0.49 -0.81 0.09 0.00 0.00 0.00 0.00 61.98 61.75 1yx1 s VAL 6 Cb -0.36 -1.30 -0.04 0.00 0.00 0.00 0.00 36.38 34.67 1yx1 s VAL 6 CO 0.47 0.44 -0.12 -0.55 0.00 0.00 0.00 175.10 175.34 1yx1 s SER 7 N -0.24 4.09 -0.14 3.32 0.15 0.67 -0.55 113.70 121.01 1yx1 s SER 7 Ca 0.02 -0.64 0.02 0.00 0.70 0.00 0.00 55.95 56.05 1yx1 s SER 7 Cb -0.10 -0.63 0.01 0.00 -1.71 0.00 0.00 66.02 63.60 1yx1 s SER 7 CO 0.01 0.10 -0.21 -0.63 1.20 0.00 0.00 173.24 173.71 1yx1 s ILE 8 N -1.72 2.02 -0.01 6.45 1.01 -1.08 -0.66 121.20 127.22 1yx1 s ILE 8 Ca 0.24 -0.95 -0.30 0.00 0.00 0.00 0.00 60.65 59.64 1yx1 s ILE 8 Cb -0.09 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1yx1 s ILE 8 CO 0.14 0.54 1.23 -0.55 0.00 0.00 0.00 174.94 176.30 1yx1 s SER 9 N 0.85 7.03 0.26 3.58 0.15 -0.08 -1.33 113.70 124.16 1yx1 s SER 9 Ca -0.06 1.93 0.23 0.00 0.70 0.00 0.00 55.95 58.75 1yx1 s SER 9 Cb -0.15 -2.57 0.99 0.00 -1.71 0.00 0.00 66.02 62.58 1yx1 s SER 9 CO -0.02 -0.56 1.71 0.18 1.20 0.00 0.00 173.24 175.74 1yx1 n LEU 10 N 4.77 0.66 0.34 3.45 4.77 -0.85 -1.42 117.00 128.73 1yx1 n LEU 10 Ca 0.11 0.67 0.22 0.00 -0.03 0.00 0.00 56.01 56.97 1yx1 n LEU 10 Cb 0.46 -0.58 1.19 0.00 -2.33 0.00 0.00 43.42 42.15 1yx1 n LEU 10 CO 0.56 -0.57 1.18 0.77 -1.33 0.00 0.00 177.39 178.00 1yx1 h SER 11 N 0.00 0.00 -0.50 -1.43 4.64 -1.92 -2.00 113.55 112.35 1yx1 h SER 11 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1yx1 h SER 11 Cb 0.35 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.41 1yx1 h SER 11 CO 0.00 0.00 0.33 0.28 -0.87 0.00 0.00 176.83 176.57 1yx1 h SER 12 N 0.00 0.38 0.52 4.97 0.02 -1.46 -2.25 113.55 115.73 1yx1 h SER 12 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1yx1 h SER 12 Cb 0.06 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1yx1 h SER 12 CO -0.00 0.25 -0.05 -1.22 -1.14 0.00 0.00 176.83 174.67 1yx1 n TYR 13 N -4.47 0.00 0.00 3.45 4.01 -0.75 -0.54 117.16 118.85 1yx1 n TYR 13 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 1yx1 n TYR 13 Cb 0.25 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 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 1.30 2.29 0.19 2.72 0.00 -0.84 -4.69 105.19 106.16 1yx1 n GLY 14 Ca 0.14 -1.25 -0.06 0.00 0.00 0.00 0.00 46.02 44.86 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 0.59 0.11 4.61 0.00 -1.90 -1.31 119.26 121.36 1yx1 h ALA 15 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1yx1 h ALA 15 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1yx1 h ALA 15 CO 0.00 -0.08 -0.05 -0.44 0.00 0.00 0.00 179.25 178.68 1yx1 h ASP 16 N 0.51 -0.13 -0.48 0.00 3.32 -1.98 -1.70 116.42 115.97 1yx1 h ASP 16 Ca 0.20 -0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.23 1yx1 h ASP 16 Cb 0.07 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 39.59 1yx1 h ASP 16 CO -0.12 0.00 0.15 0.25 -1.72 0.00 0.00 179.24 177.80 1yx1 h LEU 17 N -0.25 0.13 -0.42 1.55 5.85 -1.81 -1.58 115.31 118.77 1yx1 h LEU 17 Ca -0.02 0.07 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1yx1 h LEU 17 Cb 0.20 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1yx1 h LEU 17 CO 0.03 0.10 -0.01 0.58 -0.34 0.00 0.00 178.44 178.80 1yx1 h VAL 18 N 0.31 1.26 -0.31 1.05 2.07 -1.15 -1.43 116.25 118.06 1yx1 h VAL 18 Ca 0.23 -1.04 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 1yx1 h VAL 18 Cb 0.26 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1yx1 h VAL 18 CO -0.26 0.35 -0.07 0.03 0.02 0.00 0.00 177.57 177.65 1yx1 h ARG 19 N 0.59 0.50 0.10 1.57 3.08 -1.21 0.33 114.38 119.33 1yx1 h ARG 19 Ca 0.12 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1yx1 h ARG 19 Cb 0.50 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1yx1 h ARG 19 CO 0.02 0.58 -0.05 1.03 -1.07 0.00 0.00 179.97 180.48 1yx1 h SER 20 N 0.47 -0.12 1.36 7.04 0.87 -0.90 -3.28 113.55 118.99 1yx1 h SER 20 Ca 0.09 -0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.37 1yx1 h SER 20 Cb 0.41 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1yx1 h SER 20 CO 0.02 0.23 -0.58 0.03 -0.53 0.00 0.00 176.83 175.99 1yx1 h ARG 21 N -0.47 0.00 0.00 2.24 2.47 -1.22 -3.50 114.38 113.90 1yx1 h ARG 21 Ca -0.01 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1yx1 h ARG 21 Cb 0.39 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.71 1yx1 h ARG 21 CO 0.02 0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.96 1yx1 n GLY 22 N 1.17 -1.72 0.26 0.04 0.00 0.11 -4.49 105.19 100.56 1yx1 n GLY 22 Ca 0.02 -1.33 -0.04 0.00 0.00 0.00 0.00 46.02 44.67 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 0.63 -0.38 1.61 4.20 -1.84 -2.79 115.11 116.52 1yx1 h GLN 23 Ca 0.00 -0.21 0.09 0.00 0.06 0.00 0.00 58.65 58.59 1yx1 h GLN 23 Cb 0.00 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.71 1yx1 h GLN 23 CO 0.00 0.75 0.27 0.00 -0.67 0.00 0.00 178.83 179.18 1yx1 h ALA 24 N 1.27 2.20 0.00 3.87 0.00 -1.94 -1.52 119.26 123.14 1yx1 h ALA 24 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1yx1 h ALA 24 Cb 0.58 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1yx1 h ALA 24 CO 0.04 -0.29 0.00 -1.13 0.00 0.00 0.00 179.25 177.87 1yx1 n SER 25 N -4.45 0.38 -0.01 0.00 3.41 -1.05 -2.14 113.62 109.75 1yx1 n SER 25 Ca 0.06 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.39 1yx1 n SER 25 Cb 0.37 -0.69 0.03 0.00 -0.26 0.00 0.00 64.21 63.66 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 -1.94 0.00 -0.05 7.33 3.72 -0.57 -4.46 117.46 121.48 1yx1 n PHE 26 Ca 0.02 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.33 1yx1 n PHE 26 Cb 0.14 -0.10 -0.02 0.00 -0.94 0.00 0.00 39.48 38.57 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 0.04 0.09 -1.14 4.37 3.38 -1.52 -1.40 115.31 119.14 1yx1 h LEU 27 Ca 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1yx1 h LEU 27 Cb 0.50 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1yx1 h LEU 27 CO 0.00 0.08 0.34 -0.65 0.09 0.00 0.00 178.44 178.30 1yx1 h PRO 28 N 0.19 0.94 -0.17 1.13 0.11 -1.79 -1.92 132.00 130.48 1yx1 h PRO 28 Ca 0.10 -0.12 0.05 0.00 0.11 0.00 0.00 66.00 66.14 1yx1 h PRO 28 Cb 0.07 -0.18 -0.05 0.00 0.11 0.00 0.00 31.00 30.95 1yx1 h PRO 28 CO -0.10 0.71 -0.13 1.25 -0.21 0.00 0.00 178.00 179.52 1yx1 h LEU 29 N 0.94 -0.41 -0.34 2.35 5.85 -1.75 -2.90 115.31 119.05 1yx1 h LEU 29 Ca 0.23 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 59.04 1yx1 h LEU 29 Cb 0.07 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1yx1 h LEU 29 CO -0.03 -0.17 0.20 -0.07 -0.34 0.00 0.00 178.44 178.03 1yx1 h LEU 30 N -0.13 0.41 -1.68 2.25 4.07 -0.95 0.21 115.31 119.48 1yx1 h LEU 30 Ca 0.11 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.01 1yx1 h LEU 30 Cb 0.29 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.93 1yx1 h LEU 30 CO -0.25 0.35 0.00 0.00 -1.08 0.00 0.00 178.44 177.45 1yx1 n ALA 31 N -2.22 1.70 0.00 1.53 0.00 -0.75 -1.45 120.51 119.32 1yx1 n ALA 31 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 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 0.00 0.00 0.00 0.06 -4.26 120.51 117.00 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 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 1.10 3.78 0.00 0.00 -0.96 -4.38 105.19 104.72 1yx1 n GLY 34 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 2.93 -0.10 4.61 0.00 -0.53 -4.82 121.76 121.85 1yx1 s ALA 35 Ca 0.00 0.79 0.19 0.00 0.00 0.00 0.00 51.96 52.94 1yx1 s ALA 35 Cb 0.00 -3.33 -0.28 0.00 0.00 0.00 0.00 23.12 19.52 1yx1 s ALA 35 CO 0.00 -0.50 0.27 1.04 0.00 0.00 0.00 175.76 176.58 1yx1 n GLN 36 N -0.62 0.76 -4.09 0.00 3.00 0.29 -4.61 117.38 112.11 1yx1 n GLN 36 Ca 0.08 -0.11 -0.12 0.00 -0.01 0.00 0.00 57.00 56.84 1yx1 n GLN 36 Cb 0.50 -1.48 -0.11 0.00 0.00 0.00 0.00 30.24 29.15 1yx1 n GLN 36 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1yx1 s ARG 37 N -2.98 0.60 -0.07 -1.09 0.52 -1.00 -1.18 118.95 113.75 1yx1 s ARG 37 Ca -0.08 -0.90 -0.01 0.00 -0.52 0.00 0.00 55.73 54.21 1yx1 s ARG 37 Cb 0.10 -0.25 -0.03 0.00 0.52 0.00 0.00 34.95 35.28 1yx1 s ARG 37 CO 0.81 0.03 0.01 0.54 0.02 0.00 0.00 175.30 176.71 1yx1 s VAL 38 N -1.98 4.37 -0.38 3.52 0.11 -0.34 -2.63 120.40 123.07 1yx1 s VAL 38 Ca -0.04 -0.30 -0.05 0.00 -2.93 0.00 0.00 61.98 58.65 1yx1 s VAL 38 Cb -0.06 -2.87 0.08 0.00 -1.53 0.00 0.00 36.38 32.00 1yx1 s VAL 38 CO -0.01 0.54 0.16 -0.70 -3.33 0.00 0.00 175.10 171.76 1yx1 s GLU 39 N -1.08 2.36 0.52 1.54 2.12 -0.44 -0.84 118.70 122.89 1yx1 s GLU 39 Ca 0.15 -1.50 -0.19 0.00 0.36 0.00 0.00 54.97 53.80 1yx1 s GLU 39 Cb -0.11 -3.53 -0.07 0.00 0.26 0.00 0.00 34.13 30.67 1yx1 s GLU 39 CO 0.05 -0.88 1.04 -0.51 -0.54 0.00 0.00 175.26 174.42 1yx1 s LEU 40 N 1.29 3.72 -0.23 2.70 1.43 -0.12 -2.00 118.68 125.47 1yx1 s LEU 40 Ca 0.02 1.88 0.02 0.00 -1.03 0.00 0.00 54.13 55.02 1yx1 s LEU 40 Cb -0.22 -4.55 0.04 0.00 0.03 0.00 0.00 46.19 41.50 1yx1 s LEU 40 CO -0.01 -0.90 -0.14 -0.13 0.23 0.00 0.00 176.35 175.41 1yx1 s ARG 41 N -3.55 2.45 0.28 1.70 1.81 -1.26 -0.73 118.95 119.64 1yx1 s ARG 41 Ca 0.66 -1.12 0.01 0.00 -1.72 0.00 0.00 55.73 53.56 1yx1 s ARG 41 Cb -0.16 -2.73 0.66 0.00 -0.45 0.00 0.00 34.95 32.27 1yx1 s ARG 41 CO 0.26 -0.44 1.68 1.49 -0.68 0.00 0.00 175.30 177.61 1yx1 h GLU 42 N 7.85 0.31 0.00 3.54 4.81 -1.08 0.50 114.58 130.52 1yx1 h GLU 42 Ca -0.29 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1yx1 h GLU 42 Cb 1.08 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1yx1 h GLU 42 CO 0.52 0.21 0.00 -0.85 -0.73 0.00 0.00 179.01 178.15 1yx1 n GLU 43 N -5.12 0.13 -0.26 1.92 0.00 -1.26 -2.88 120.64 113.17 1yx1 n GLU 43 Ca 0.20 0.17 0.10 0.00 0.00 0.00 0.00 57.16 57.63 1yx1 n GLU 43 Cb 0.61 -1.50 0.24 0.00 0.00 0.00 0.00 31.44 30.79 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 -1.38 3.46 -4.69 -1.84 4.77 0.17 -4.88 117.00 112.61 1yx1 n LEU 44 Ca 0.06 -1.87 -0.41 0.00 -0.03 0.00 0.00 56.01 53.76 1yx1 n LEU 44 Cb 0.15 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 1yx1 n LEU 44 CO 0.14 0.84 0.58 -0.36 -1.33 0.00 0.00 177.39 177.26 1yx1 s PHE 45 N -1.08 3.49 -1.17 -1.77 0.08 -1.14 -4.25 117.98 112.15 1yx1 s PHE 45 Ca 0.37 1.33 -0.14 0.00 0.12 0.00 0.00 56.93 58.62 1yx1 s PHE 45 Cb 0.20 -2.99 0.18 0.00 -0.57 0.00 0.00 43.02 39.84 1yx1 s PHE 45 CO 0.27 -0.14 1.37 0.00 -0.10 0.00 0.00 175.22 176.62 1yx1 s ALA 46 N 1.69 4.03 0.00 5.36 0.00 -1.26 -4.88 121.76 126.70 1yx1 s ALA 46 Ca 0.40 -3.37 0.00 0.00 0.00 0.00 0.00 51.96 49.00 1yx1 s ALA 46 Cb -0.17 -4.05 0.00 0.00 0.00 0.00 0.00 23.12 18.89 1yx1 s ALA 46 CO 0.16 -2.72 0.00 0.41 0.00 0.00 0.00 175.76 173.61 1yx1 n GLY 47 N 4.07 -0.60 3.73 0.00 0.00 -1.26 -4.96 105.19 106.17 1yx1 n GLY 47 Ca 0.34 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.32 4.38 0.41 1.61 0.05 -1.26 -4.99 135.00 132.89 1yx1 s PRO 48 Ca 0.00 2.06 -0.16 0.00 0.05 0.00 0.00 61.00 62.95 1yx1 s PRO 48 Cb 0.00 -3.20 -0.09 0.00 0.05 0.00 0.00 34.50 31.26 1yx1 s PRO 48 CO 0.00 -0.27 0.85 -1.25 0.05 0.00 0.00 177.00 176.38 1yx1 s PRO 49 N 0.01 3.99 -0.40 0.56 0.04 -1.26 -4.99 135.00 132.95 1yx1 s PRO 49 Ca 0.57 0.79 -0.28 0.00 0.04 0.00 0.00 61.00 62.13 1yx1 s PRO 49 Cb -0.36 -2.29 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 1yx1 s PRO 49 CO 0.37 -0.04 1.99 0.34 0.04 0.00 0.00 177.00 179.71 1yx1 s ASP 50 N -2.66 5.43 0.34 6.66 -1.08 -1.26 -4.85 116.67 119.25 1yx1 s ASP 50 Ca 0.56 1.16 0.15 0.00 -0.52 0.00 0.00 52.55 53.90 1yx1 s ASP 50 Cb -0.10 -2.52 0.57 0.00 -1.46 0.00 0.00 42.92 39.41 1yx1 s ASP 50 CO 0.23 -2.10 1.70 0.71 0.52 0.00 0.00 175.17 176.23 1yx1 h THR 51 N 7.03 1.11 -0.19 1.71 1.35 -1.94 -2.27 112.91 119.72 1yx1 h THR 51 Ca -0.32 -1.71 -0.17 0.00 -0.55 0.00 0.00 66.41 63.66 1yx1 h THR 51 Cb 1.20 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1yx1 h THR 51 CO 1.08 0.45 -0.54 -0.33 -0.25 0.00 0.00 175.52 175.93 1yx1 h GLU 52 N 0.00 0.71 -0.54 4.72 4.39 -1.89 0.51 114.58 122.47 1yx1 h GLU 52 Ca -0.00 -0.50 -0.11 0.00 0.34 0.00 0.00 59.36 59.08 1yx1 h GLU 52 Cb 0.95 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.66 1yx1 h GLU 52 CO 0.06 1.12 -0.11 0.00 -1.16 0.00 0.00 179.01 178.93 1yx1 h ALA 53 N 0.58 0.77 0.39 3.43 0.00 -1.95 -1.63 119.26 120.85 1yx1 h ALA 53 Ca -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.52 1yx1 h ALA 53 Cb 1.16 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1yx1 h ALA 53 CO 0.12 0.67 -0.19 1.25 0.00 0.00 0.00 179.25 181.10 1yx1 h LEU 54 N 0.92 -0.44 -0.70 0.00 5.85 -1.39 -0.27 115.31 119.27 1yx1 h LEU 54 Ca 0.14 -0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1yx1 h LEU 54 Cb 0.68 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 1yx1 h LEU 54 CO 0.05 -0.29 0.38 0.74 -0.34 0.00 0.00 178.44 178.97 1yx1 h THR 55 N -0.55 0.93 -0.59 1.05 2.02 -0.87 -1.89 112.91 113.01 1yx1 h THR 55 Ca -0.05 -0.23 -0.08 0.00 0.77 0.00 0.00 66.41 66.82 1yx1 h THR 55 Cb 0.42 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1yx1 h THR 55 CO 0.09 0.12 0.06 0.00 0.37 0.00 0.00 175.52 176.16 1yx1 h ALA 56 N 1.38 1.00 -0.60 6.16 0.00 -1.19 -1.77 119.26 124.23 1yx1 h ALA 56 Ca 0.32 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 1yx1 h ALA 56 Cb 0.26 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1yx1 h ALA 56 CO -0.21 0.63 0.02 0.00 0.00 0.00 0.00 179.25 179.69 1yx1 h ALA 57 N 1.15 0.81 -0.21 0.00 0.00 -0.70 0.48 119.26 120.78 1yx1 h ALA 57 Ca 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1yx1 h ALA 57 Cb 0.45 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1yx1 h ALA 57 CO 0.02 0.62 0.10 0.82 0.00 0.00 0.00 179.25 180.81 1yx1 h ILE 58 N 0.94 1.14 -0.60 0.00 2.04 -1.19 -2.45 117.51 117.39 1yx1 h ILE 58 Ca 0.17 -0.40 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 1yx1 h ILE 58 Cb 0.53 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1yx1 h ILE 58 CO 0.03 0.13 0.02 1.56 0.00 0.00 0.00 178.15 179.89 1yx1 h GLN 59 N 0.21 1.03 -0.50 2.37 4.20 -1.21 -2.39 115.11 118.82 1yx1 h GLN 59 Ca 0.07 -0.31 0.00 0.00 0.06 0.00 0.00 58.65 58.48 1yx1 h GLN 59 Cb 0.12 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1yx1 h GLN 59 CO -0.01 1.00 0.32 1.25 -0.67 0.00 0.00 178.83 180.71 1yx1 h LEU 60 N 0.95 0.58 -0.23 1.46 5.85 -0.71 -1.41 115.31 121.80 1yx1 h LEU 60 Ca 0.17 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1yx1 h LEU 60 Cb 0.52 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.41 1yx1 h LEU 60 CO 0.03 0.43 -0.17 0.00 -0.34 0.00 0.00 178.44 178.39 1yx1 n GLN 61 N -4.45 0.58 -1.72 1.25 1.13 -0.94 -4.93 117.38 108.30 1yx1 n GLN 61 Ca 0.04 -0.23 -0.06 0.00 -1.94 0.00 0.00 57.00 54.81 1yx1 n GLN 61 Cb 0.06 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.90 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 1.33 0.42 3.91 1.08 0.00 -0.53 -4.85 105.19 106.54 1yx1 n GLY 62 Ca 0.12 -0.70 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 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 -1.54 4.31 0.63 0.99 1.43 -0.94 -4.98 118.68 118.58 1yx1 s LEU 63 Ca 0.00 0.45 -0.02 0.00 -1.03 0.00 0.00 54.13 53.53 1yx1 s LEU 63 Cb 0.00 -3.13 0.06 0.00 0.03 0.00 0.00 46.19 43.14 1yx1 s LEU 63 CO 0.00 0.11 0.89 -1.61 0.23 0.00 0.00 176.35 175.97 1yx1 s GLU 64 N -2.56 2.30 -0.06 1.70 2.02 -0.33 -4.54 118.70 117.23 1yx1 s GLU 64 Ca 0.38 -0.62 -0.03 0.00 0.02 0.00 0.00 54.97 54.72 1yx1 s GLU 64 Cb -0.13 -2.35 0.04 0.00 0.10 0.00 0.00 34.13 31.80 1yx1 s GLU 64 CO 0.26 -1.00 0.14 0.00 0.02 0.00 0.00 175.26 174.67 1yx1 s VAL 66 N 1.26 4.65 -0.27 0.00 1.01 -0.02 -0.58 120.40 126.46 1yx1 s VAL 66 Ca -0.08 -0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.71 1yx1 s VAL 66 Cb -0.12 -3.04 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 1yx1 s VAL 66 CO -0.06 0.53 0.11 0.12 0.00 0.00 0.00 175.10 175.81 1yx1 s PHE 67 N -0.22 3.13 -0.23 5.22 5.36 0.23 -0.95 117.98 130.53 1yx1 s PHE 67 Ca 0.07 -0.34 -0.11 0.00 -0.96 0.00 0.00 56.93 55.59 1yx1 s PHE 67 Cb -0.12 -2.29 -0.05 0.00 -0.34 0.00 0.00 43.02 40.22 1yx1 s PHE 67 CO 0.02 -0.34 0.18 0.45 -1.46 0.00 0.00 175.22 174.06 1yx1 s SER 68 N 1.64 6.15 0.05 6.13 0.15 0.09 -0.65 113.70 127.27 1yx1 s SER 68 Ca 0.06 0.16 0.09 0.00 0.70 0.00 0.00 55.95 56.96 1yx1 s SER 68 Cb -0.16 -2.11 -0.03 0.00 -1.71 0.00 0.00 66.02 62.01 1yx1 s SER 68 CO 0.06 0.07 -0.25 -0.55 1.20 0.00 0.00 173.24 173.77 1yx1 s SER 69 N 0.98 2.96 0.00 5.45 0.15 -0.16 -0.34 113.70 122.74 1yx1 s SER 69 Ca 0.09 -0.58 0.19 0.00 0.70 0.00 0.00 55.95 56.35 1yx1 s SER 69 Cb -0.13 -0.26 1.16 0.00 -1.71 0.00 0.00 66.02 65.08 1yx1 s SER 69 CO 0.04 0.22 1.65 -0.81 1.20 0.00 0.00 173.24 175.54 1yx1 n PRO 70 N 1.73 0.85 -1.71 5.44 -0.04 -1.26 -4.27 135.00 135.74 1yx1 n PRO 70 Ca -0.17 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.87 1yx1 n PRO 70 Cb 0.52 -1.36 -0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1yx1 n PRO 70 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1yx1 n LEU 71 N -0.86 3.92 -4.63 1.53 -0.00 -1.26 -4.67 117.00 111.02 1yx1 n LEU 71 Ca 0.15 1.19 -0.37 0.00 -0.00 0.00 0.00 56.01 56.97 1yx1 n LEU 71 Cb 0.07 -1.51 -0.10 0.00 -0.00 0.00 0.00 43.42 41.88 1yx1 n LEU 71 CO 0.11 -0.40 -0.11 -1.61 -0.00 0.00 0.00 177.39 175.37 1yx1 s GLU 72 N -2.01 4.04 0.13 1.47 2.02 -1.26 -0.89 118.70 122.20 1yx1 s GLU 72 Ca 0.56 -0.19 -0.19 0.00 0.02 0.00 0.00 54.97 55.18 1yx1 s GLU 72 Cb -0.53 -3.59 -0.02 0.00 0.10 0.00 0.00 34.13 30.08 1yx1 s GLU 72 CO 0.61 -0.06 1.75 1.25 0.02 0.00 0.00 175.26 178.83 1yx1 h LEU 73 N 7.91 0.07 -8.93 1.80 5.85 -0.46 -3.40 115.31 118.15 1yx1 h LEU 73 Ca -0.36 0.03 -0.63 0.00 0.84 0.00 0.00 57.88 57.76 1yx1 h LEU 73 Cb 1.17 0.02 -0.19 0.00 0.37 0.00 0.00 40.66 42.03 1yx1 h LEU 73 CO 0.63 0.07 -0.61 0.26 -0.34 0.00 0.00 178.44 178.45 1yx1 s TRP 74 N -6.18 3.13 0.84 1.25 0.51 -0.19 -0.33 118.94 117.98 1yx1 s TRP 74 Ca -0.13 -0.15 -0.11 0.00 -2.12 0.00 0.00 56.10 53.59 1yx1 s TRP 74 Cb 0.10 -2.05 0.10 0.00 -0.81 0.00 0.00 33.47 30.81 1yx1 s TRP 74 CO 0.69 0.01 1.09 1.03 -0.51 0.00 0.00 176.95 179.26 1yx1 s ARG 75 N 0.53 1.70 0.30 4.98 0.52 -0.08 -2.05 118.95 124.84 1yx1 s ARG 75 Ca 0.00 0.89 0.02 0.00 -0.52 0.00 0.00 55.73 56.13 1yx1 s ARG 75 Cb -0.13 -1.85 0.59 0.00 0.52 0.00 0.00 34.95 34.07 1yx1 s ARG 75 CO 0.02 -1.96 1.86 0.93 0.02 0.00 0.00 175.30 176.17 1yx1 h GLU 76 N -1.35 0.93 0.00 3.54 5.08 -1.87 -1.30 114.58 119.60 1yx1 h GLU 76 Ca -0.47 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.83 1yx1 h GLU 76 Cb 1.26 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1yx1 h GLU 76 CO 0.54 0.61 0.00 -0.40 -1.00 0.00 0.00 179.01 178.77 1yx1 n ASP 77 N -4.58 0.00 0.00 1.42 5.68 -1.26 -4.87 116.55 112.95 1yx1 n ASP 77 Ca 0.17 -0.64 0.00 0.00 -0.50 0.00 0.00 54.79 53.82 1yx1 n ASP 77 Cb 0.34 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 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 0.52 0.77 3.89 6.12 0.00 -0.49 -5.07 105.19 110.93 1yx1 n GLY 78 Ca 0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.71 3.68 0.49 1.61 -1.52 -1.26 -4.79 119.66 117.15 1yx1 s GLN 79 Ca 0.00 0.33 -0.23 0.00 -1.95 0.00 0.00 55.36 53.51 1yx1 s GLN 79 Cb 0.00 -2.40 -0.07 0.00 -0.22 0.00 0.00 33.01 30.32 1yx1 s GLN 79 CO 0.00 -0.08 1.30 -0.51 -0.25 0.00 0.00 175.29 175.75 1yx1 s LEU 80 N -4.16 3.99 0.04 2.90 1.43 -1.26 -0.90 118.68 120.71 1yx1 s LEU 80 Ca 0.49 2.63 -0.30 0.00 -1.03 0.00 0.00 54.13 55.92 1yx1 s LEU 80 Cb -0.10 -4.17 -0.08 0.00 0.03 0.00 0.00 46.19 41.87 1yx1 s LEU 80 CO 0.36 -1.22 1.84 0.21 0.23 0.00 0.00 176.35 177.77 1yx1 s ASN 81 N -0.99 6.51 0.05 2.29 3.84 0.55 -4.75 114.94 122.44 1yx1 s ASN 81 Ca 0.66 2.57 0.11 0.00 0.21 0.00 0.00 52.86 56.41 1yx1 s ASN 81 Cb -0.37 -2.54 0.49 0.00 -0.55 0.00 0.00 41.25 38.28 1yx1 s ASN 81 CO 0.45 -1.00 1.35 -0.81 -2.79 0.00 0.00 177.10 174.31 1yx1 n PRO 82 N 6.89 0.03 0.00 0.43 -0.04 -1.26 -1.65 135.00 139.40 1yx1 n PRO 82 Ca 0.18 0.38 0.15 0.00 -0.04 0.00 0.00 63.50 64.17 1yx1 n PRO 82 Cb 0.41 -1.57 0.83 0.00 -0.04 0.00 0.00 33.50 33.13 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 -1.63 0.73 0.31 0.54 -0.58 -1.26 -4.25 120.64 114.50 1yx1 n GLU 83 Ca 0.02 0.01 -0.16 0.00 -0.42 0.00 0.00 57.16 56.60 1yx1 n GLU 83 Cb 0.11 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.40 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 0.00 -0.66 -0.54 -4.62 5.85 -1.70 -1.51 115.31 112.14 1yx1 h LEU 84 Ca 0.00 -0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.61 1yx1 h LEU 84 Cb 0.11 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1yx1 h LEU 84 CO 0.00 -0.38 -0.00 -0.33 -0.34 0.00 0.00 178.44 177.38 1yx1 h GLU 85 N -0.91 0.95 -0.95 1.25 5.08 -1.83 0.61 114.58 118.78 1yx1 h GLU 85 Ca -0.08 -0.30 0.11 0.00 -1.00 0.00 0.00 59.36 58.09 1yx1 h GLU 85 Cb 0.64 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.73 1yx1 h GLU 85 CO 0.13 0.96 0.61 -1.35 -1.00 0.00 0.00 179.01 178.36 1yx1 h PRO 86 N 0.82 0.91 -0.34 2.33 0.11 -1.77 0.17 132.00 134.23 1yx1 h PRO 86 Ca 0.15 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.09 1yx1 h PRO 86 Cb 0.54 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.43 1yx1 h PRO 86 CO 0.03 0.60 -0.23 1.15 -0.21 0.00 0.00 178.00 179.34 1yx1 h THR 87 N 0.94 1.29 -0.72 -1.15 2.02 -0.82 -1.78 112.91 112.69 1yx1 h THR 87 Ca 0.45 -1.37 0.07 0.00 0.77 0.00 0.00 66.41 66.33 1yx1 h THR 87 Cb 0.45 1.42 -0.06 0.00 -1.74 0.00 0.00 68.15 68.22 1yx1 h THR 87 CO -0.22 0.45 0.39 -0.07 0.37 0.00 0.00 175.52 176.45 1yx1 h LEU 88 N 0.54 0.57 -0.49 2.58 3.38 -0.37 0.14 115.31 121.66 1yx1 h LEU 88 Ca 0.07 0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1yx1 h LEU 88 Cb 0.79 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1yx1 h LEU 88 CO 0.06 0.35 0.11 0.03 0.09 0.00 0.00 178.44 179.09 1yx1 h ARG 89 N 0.70 0.79 -0.33 1.13 3.08 -0.81 -0.25 114.38 118.70 1yx1 h ARG 89 Ca 0.33 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1yx1 h ARG 89 Cb 0.25 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.19 1yx1 h ARG 89 CO -0.21 0.77 0.08 0.00 -1.07 0.00 0.00 179.97 179.54 1yx1 h ARG 90 N 0.67 0.53 -0.12 0.04 3.08 -1.02 -0.60 114.38 116.95 1yx1 h ARG 90 Ca 0.15 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 60.10 1yx1 h ARG 90 Cb 0.34 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1yx1 h ARG 90 CO 0.00 0.59 -0.04 0.00 -1.07 0.00 0.00 179.97 179.46 1yx1 h ALA 91 N 0.92 0.08 -0.71 0.04 0.00 -0.58 -1.33 119.26 117.66 1yx1 h ALA 91 Ca 0.10 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1yx1 h ALA 91 Cb 0.30 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1yx1 h ALA 91 CO 0.00 -0.49 0.37 1.49 0.00 0.00 0.00 179.25 180.62 1yx1 h GLU 92 N -0.01 1.01 -0.09 0.00 4.81 -0.96 -1.73 114.58 117.62 1yx1 h GLU 92 Ca 0.06 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1yx1 h GLU 92 Cb 0.10 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.28 1yx1 h GLU 92 CO -0.13 0.78 -0.17 0.00 -0.73 0.00 0.00 179.01 178.76 1yx1 h ALA 93 N 1.18 1.55 0.00 2.92 0.00 -0.80 -1.92 119.26 122.19 1yx1 h ALA 93 Ca 0.25 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1yx1 h ALA 93 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1yx1 h ALA 93 CO -0.04 0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.54 1yx1 n GLY 95 N 1.17 0.98 3.82 0.00 0.00 -0.72 -3.40 105.19 107.04 1yx1 n GLY 95 Ca 0.16 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 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 3.01 -0.10 4.61 0.00 -0.70 -4.52 121.76 122.07 1yx1 s ALA 96 Ca 0.00 0.43 0.22 0.00 0.00 0.00 0.00 51.96 52.60 1yx1 s ALA 96 Cb 0.00 -3.17 -0.23 0.00 0.00 0.00 0.00 23.12 19.72 1yx1 s ALA 96 CO 0.00 0.03 0.63 0.41 0.00 0.00 0.00 175.76 176.83 1yx1 n GLY 97 N -0.61 -1.14 3.03 0.00 0.00 0.26 -4.58 105.19 102.14 1yx1 n GLY 97 Ca 0.07 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.41 0.71 -0.18 1.61 0.51 -1.22 -1.82 118.94 115.12 1yx1 s TRP 98 Ca -0.06 -0.27 -0.04 0.00 -2.12 0.00 0.00 56.10 53.62 1yx1 s TRP 98 Cb 0.12 -0.44 -0.02 0.00 -0.81 0.00 0.00 33.47 32.32 1yx1 s TRP 98 CO 0.87 -0.02 -0.03 -1.17 -0.51 0.00 0.00 176.95 176.08 1yx1 s LEU 99 N -0.74 3.12 -0.20 2.99 2.96 -0.64 -0.60 118.68 125.57 1yx1 s LEU 99 Ca -0.01 -0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 53.59 1yx1 s LEU 99 Cb -0.06 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1yx1 s LEU 99 CO 0.00 0.09 0.05 -0.75 -1.32 0.00 0.00 176.35 174.42 1yx1 s LYS 100 N 0.86 3.81 0.29 1.98 2.20 0.18 -0.20 119.74 128.86 1yx1 s LYS 100 Ca -0.01 -0.42 0.03 0.00 -0.36 0.00 0.00 55.97 55.21 1yx1 s LYS 100 Cb -0.14 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 32.93 1yx1 s LYS 100 CO 0.02 0.10 0.16 0.14 -0.36 0.00 0.00 175.35 175.41 1yx1 s VAL 101 N 0.82 0.29 0.32 4.02 -7.23 -0.05 -0.99 120.40 117.59 1yx1 s VAL 101 Ca 0.03 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.26 1yx1 s VAL 101 Cb -0.14 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 34.27 1yx1 s VAL 101 CO 0.02 0.00 0.42 -0.44 -0.31 0.00 0.00 175.10 174.80 1yx1 s SER 102 N -3.35 5.94 0.06 4.85 0.01 -0.07 -1.35 113.70 119.79 1yx1 s SER 102 Ca 0.36 -0.18 -0.15 0.00 1.31 0.00 0.00 55.95 57.29 1yx1 s SER 102 Cb 0.05 -1.31 -0.24 0.00 0.21 0.00 0.00 66.02 64.74 1yx1 s SER 102 CO 0.17 -0.35 1.16 0.25 0.41 0.00 0.00 173.24 174.88 1yx1 h LEU 103 N 0.99 0.83 0.00 2.44 5.85 -1.84 0.97 115.31 124.56 1yx1 h LEU 103 Ca -0.47 -0.75 0.00 0.00 0.84 0.00 0.00 57.88 57.50 1yx1 h LEU 103 Cb 1.25 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.03 1yx1 h LEU 103 CO 0.55 1.48 0.00 0.61 -0.34 0.00 0.00 178.44 180.74 1yx1 n GLY 104 N 1.12 -1.00 3.43 3.75 0.00 -1.26 -1.02 105.19 110.21 1yx1 n GLY 104 Ca -0.11 -1.21 -0.44 0.00 0.00 0.00 0.00 46.02 44.26 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 5.11 -0.04 0.99 2.96 -0.87 -3.98 118.68 122.84 1yx1 s LEU 105 Ca 0.00 -1.03 -0.30 0.00 -0.22 0.00 0.00 54.13 52.58 1yx1 s LEU 105 Cb 0.00 -2.40 -0.05 0.00 0.50 0.00 0.00 46.19 44.24 1yx1 s LEU 105 CO 0.00 -0.89 1.49 -0.22 -1.32 0.00 0.00 176.35 175.42 1yx1 s LEU 106 N 2.51 4.30 0.88 -0.68 2.96 -1.26 -4.60 118.68 122.79 1yx1 s LEU 106 Ca 0.13 2.12 -0.13 0.00 -0.22 0.00 0.00 54.13 56.04 1yx1 s LEU 106 Cb -0.21 -3.55 0.12 0.00 0.50 0.00 0.00 46.19 43.06 1yx1 s LEU 106 CO 0.10 -0.82 1.17 -2.16 -1.32 0.00 0.00 176.35 173.33 1yx1 s PRO 107 N 3.20 1.37 0.24 0.98 0.04 -1.26 -4.96 135.00 134.60 1yx1 s PRO 107 Ca 0.67 0.13 -0.06 0.00 0.04 0.00 0.00 61.00 61.77 1yx1 s PRO 107 Cb -0.31 -1.88 0.29 0.00 0.04 0.00 0.00 34.50 32.64 1yx1 s PRO 107 CO 0.26 -2.01 1.86 1.05 0.04 0.00 0.00 177.00 178.21 1yx1 h GLU 108 N -1.36 0.97 -2.97 4.56 9.09 -1.97 -3.33 114.58 119.58 1yx1 h GLU 108 Ca -0.48 -0.06 -0.62 0.00 0.05 0.00 0.00 59.36 58.26 1yx1 h GLU 108 Cb 1.32 -0.22 -0.41 0.00 -1.65 0.00 0.00 28.75 27.79 1yx1 h GLU 108 CO 0.60 0.64 -0.66 -0.65 0.05 0.00 0.00 179.01 179.00 1yx1 s GLN 109 N -6.08 2.08 0.30 1.06 -1.52 -1.26 -5.10 119.66 109.14 1yx1 s GLN 109 Ca -0.13 -3.00 -0.29 0.00 -1.95 0.00 0.00 55.36 49.99 1yx1 s GLN 109 Cb 0.18 -2.99 -0.10 0.00 -0.22 0.00 0.00 33.01 29.88 1yx1 s GLN 109 CO 0.79 -1.29 1.13 -1.25 -0.25 0.00 0.00 175.29 174.43 1yx1 s PRO 110 N -1.01 4.55 -1.24 2.91 0.04 -1.25 -4.92 135.00 134.08 1yx1 s PRO 110 Ca 0.25 1.86 -0.17 0.00 0.04 0.00 0.00 61.00 62.98 1yx1 s PRO 110 Cb -0.05 -3.12 0.11 0.00 0.04 0.00 0.00 34.50 31.47 1yx1 s PRO 110 CO -0.15 0.11 1.60 0.34 0.04 0.00 0.00 177.00 178.94 1yx1 s ASP 111 N -0.86 6.90 0.32 6.66 -1.08 -1.26 -4.75 116.67 122.61 1yx1 s ASP 111 Ca 0.46 -2.59 0.15 0.00 -0.52 0.00 0.00 52.55 50.05 1yx1 s ASP 111 Cb -0.33 -2.51 0.47 0.00 -1.46 0.00 0.00 42.92 39.09 1yx1 s ASP 111 CO 0.42 -1.03 1.64 -0.07 0.52 0.00 0.00 175.17 176.66 1yx1 h LEU 112 N 11.47 0.00 -0.56 -1.34 3.38 -1.99 -1.97 115.31 124.31 1yx1 h LEU 112 Ca 0.38 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.29 1yx1 h LEU 112 Cb 0.88 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1yx1 h LEU 112 CO 1.37 0.50 0.13 0.00 0.09 0.00 0.00 178.44 180.53 1yx1 h ALA 113 N 1.50 0.73 -0.52 1.53 0.00 -1.97 0.01 119.26 120.54 1yx1 h ALA 113 Ca -0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1yx1 h ALA 113 Cb 1.06 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1yx1 h ALA 113 CO 0.06 0.44 -0.07 0.00 0.00 0.00 0.00 179.25 179.69 1yx1 h ALA 114 N 1.01 0.71 -0.15 0.00 0.00 -1.91 -1.13 119.26 117.79 1yx1 h ALA 114 Ca 0.17 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1yx1 h ALA 114 Cb 0.36 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 1yx1 h ALA 114 CO 0.00 0.59 -0.10 1.25 0.00 0.00 0.00 179.25 181.00 1yx1 h LEU 115 N 0.84 -0.31 -0.89 0.00 5.85 -1.14 -1.95 115.31 117.71 1yx1 h LEU 115 Ca 0.14 0.07 0.13 0.00 0.84 0.00 0.00 57.88 59.06 1yx1 h LEU 115 Cb 0.62 0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.73 1yx1 h LEU 115 CO 0.04 -0.13 0.51 1.23 -0.34 0.00 0.00 178.44 179.75 1yx1 h GLY 116 N -0.09 1.45 1.05 3.75 0.00 -0.70 -0.76 103.07 107.76 1yx1 h GLY 116 Ca 0.09 -0.32 -0.03 0.00 0.00 0.00 0.00 47.33 47.07 1yx1 h GLY 116 CO -0.21 0.06 0.40 3.21 0.00 0.00 0.00 176.54 180.00 1yx1 h ARG 117 N 0.77 1.23 -0.17 4.80 3.08 -0.86 -0.23 114.38 123.00 1yx1 h ARG 117 Ca 0.46 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 60.23 1yx1 h ARG 117 Cb 0.55 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1yx1 h ARG 117 CO -0.31 0.94 -0.27 0.00 -1.07 0.00 0.00 179.97 179.27 1yx1 h ARG 118 N 1.21 0.48 -0.43 0.04 3.08 -0.78 -2.99 114.38 114.99 1yx1 h ARG 118 Ca 0.29 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 1yx1 h ARG 118 Cb 0.13 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 1yx1 h ARG 118 CO -0.04 0.88 0.23 -0.07 -1.07 0.00 0.00 179.97 179.91 1yx1 h LEU 119 N 0.11 0.52 -1.31 3.04 3.38 -1.04 -2.72 115.31 117.30 1yx1 h LEU 119 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1yx1 h LEU 119 Cb 0.84 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1yx1 h LEU 119 CO 0.06 0.43 0.00 0.00 0.09 0.00 0.00 178.44 179.02 1yx1 h ALA 120 N 1.66 1.00 -0.02 1.53 0.00 -0.89 -2.07 119.26 120.47 1yx1 h ALA 120 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1yx1 h ALA 120 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1yx1 h ALA 120 CO -0.02 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.77 1yx1 n ARG 121 N -2.75 1.20 -4.28 0.00 1.74 -1.02 -4.89 116.66 106.66 1yx1 n ARG 121 Ca 0.01 -0.29 -0.15 0.00 -0.77 0.00 0.00 57.85 56.64 1yx1 n ARG 121 Cb 0.25 -1.43 -0.10 0.00 -1.02 0.00 0.00 32.46 30.16 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 -1.98 1.40 -0.34 -1.55 3.76 -0.78 -5.07 115.29 110.74 1yx1 s HIS 122 Ca 0.39 -1.22 0.09 0.00 -0.15 0.00 0.00 55.06 54.16 1yx1 s HIS 122 Cb 0.19 -0.79 0.65 0.00 1.11 0.00 0.00 32.58 33.74 1yx1 s HIS 122 CO 0.31 -0.41 1.72 0.41 -0.85 0.00 0.00 174.74 175.92 1yx1 n GLY 123 N -0.39 4.22 3.53 -2.22 0.00 -1.26 -4.98 105.19 104.08 1yx1 n GLY 123 Ca -0.00 -1.08 -0.27 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.12 2.82 0.14 0.99 1.43 -1.26 -4.95 118.68 114.73 1yx1 s LEU 124 Ca 0.52 -0.62 -0.26 0.00 -1.03 0.00 0.00 54.13 52.74 1yx1 s LEU 124 Cb 0.43 -1.55 -0.07 0.00 0.03 0.00 0.00 46.19 45.03 1yx1 s LEU 124 CO 0.09 0.12 0.80 -1.58 0.23 0.00 0.00 176.35 176.01 1yx1 s GLN 125 N -2.64 4.58 -0.03 1.70 0.74 -0.76 -4.90 119.66 118.35 1yx1 s GLN 125 Ca 0.23 1.18 -0.21 0.00 0.05 0.00 0.00 55.36 56.60 1yx1 s GLN 125 Cb -0.09 -3.29 -0.05 0.00 1.10 0.00 0.00 33.01 30.68 1yx1 s GLN 125 CO 0.13 0.49 0.62 -1.17 -0.55 0.00 0.00 175.29 174.81 1yx1 s LEU 126 N -0.87 4.38 -0.10 3.68 2.96 -1.13 -1.62 118.68 125.98 1yx1 s LEU 126 Ca 0.37 1.14 0.02 0.00 -0.22 0.00 0.00 54.13 55.45 1yx1 s LEU 126 Cb -0.23 -2.95 -0.01 0.00 0.50 0.00 0.00 46.19 43.49 1yx1 s LEU 126 CO 0.26 0.03 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.39 1yx1 s LEU 127 N 0.16 2.53 -0.18 -0.68 1.43 0.72 -1.42 118.68 121.25 1yx1 s LEU 127 Ca 0.32 -0.37 -0.00 0.00 -1.03 0.00 0.00 54.13 53.05 1yx1 s LEU 127 Cb -0.18 -1.54 0.01 0.00 0.03 0.00 0.00 46.19 44.51 1yx1 s LEU 127 CO 0.17 0.20 -0.15 -0.69 0.23 0.00 0.00 176.35 176.11 1yx1 s VAL 128 N 0.12 2.56 -0.03 -1.59 1.01 -0.53 -0.87 120.40 121.08 1yx1 s VAL 128 Ca -0.08 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.09 1yx1 s VAL 128 Cb -0.15 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1yx1 s VAL 128 CO 0.05 0.51 0.13 -0.70 0.00 0.00 0.00 175.10 175.09 1yx1 s GLU 129 N 1.14 3.27 0.18 2.72 2.12 -0.46 -1.08 118.70 126.59 1yx1 s GLU 129 Ca 0.01 -0.36 -0.31 0.00 0.36 0.00 0.00 54.97 54.67 1yx1 s GLU 129 Cb -0.14 -3.00 -0.09 0.00 0.26 0.00 0.00 34.13 31.16 1yx1 s GLU 129 CO -0.06 0.68 1.41 0.54 -0.54 0.00 0.00 175.26 177.30 1yx1 s ASN 130 N -1.67 6.76 0.00 -1.70 4.22 -1.18 -4.37 114.94 117.00 1yx1 s ASN 130 Ca 0.23 2.48 0.00 0.00 -2.14 0.00 0.00 52.86 53.43 1yx1 s ASN 130 Cb -0.12 -2.60 0.00 0.00 1.28 0.00 0.00 41.25 39.81 1yx1 s ASN 130 CO 0.14 -0.67 0.00 -0.90 -2.04 0.00 0.00 177.10 173.63 1yx1 n ASP 131 N 3.26 0.68 -1.48 3.54 5.75 -0.55 -4.67 116.55 123.08 1yx1 n ASP 131 Ca 0.10 -0.17 0.09 0.00 -0.01 0.00 0.00 54.79 54.80 1yx1 n ASP 131 Cb 0.41 0.00 0.34 0.00 -1.03 0.00 0.00 41.12 40.84 1yx1 n ASP 131 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1yx1 n GLN 132 N -0.11 3.59 -3.99 0.11 6.02 -1.26 -4.11 117.38 117.63 1yx1 n GLN 132 Ca 0.00 -2.83 -0.22 0.00 -0.01 0.00 0.00 57.00 53.94 1yx1 n GLN 132 Cb 0.00 -1.84 -0.04 0.00 1.02 0.00 0.00 30.24 29.38 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 -1.79 3.98 0.24 5.09 -4.23 -1.26 -4.57 115.64 113.10 1yx1 s THR 133 Ca 0.49 -1.42 -0.05 0.00 -1.18 0.00 0.00 61.69 59.53 1yx1 s THR 133 Cb 0.31 -3.28 0.17 0.00 1.34 0.00 0.00 72.50 71.05 1yx1 s THR 133 CO 0.24 -0.27 1.81 -0.65 -0.54 0.00 0.00 174.62 175.21 1yx1 h PRO 134 N 1.41 1.10 -0.18 3.99 0.11 -1.93 0.16 132.00 136.64 1yx1 h PRO 134 Ca -0.47 -0.19 -0.16 0.00 0.11 0.00 0.00 66.00 65.29 1yx1 h PRO 134 Cb 1.25 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1yx1 h PRO 134 CO 0.60 0.89 -0.56 -0.56 -0.21 0.00 0.00 178.00 178.16 1yx1 h GLN 135 N 1.07 0.56 -0.13 1.05 -0.00 -1.96 -3.34 115.11 112.37 1yx1 h GLN 135 Ca 0.25 -0.36 0.00 0.00 -0.00 0.00 0.00 58.65 58.54 1yx1 h GLN 135 Cb 0.20 0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.73 1yx1 h GLN 135 CO -0.02 0.97 0.00 0.41 -0.00 0.00 0.00 178.83 180.19 1yx1 n GLY 136 N 0.28 1.09 0.00 0.06 0.00 -1.17 -4.67 105.19 100.77 1yx1 n GLY 136 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 0.31 0.98 3.61 -0.02 0.00 0.54 -1.48 105.19 109.12 1yx1 n GLY 137 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.64 2.48 0.17 1.61 0.52 -1.26 -4.75 118.95 117.08 1yx1 s ARG 138 Ca 0.00 -0.79 -0.14 0.00 -0.52 0.00 0.00 55.73 54.27 1yx1 s ARG 138 Cb 0.00 -2.48 0.06 0.00 0.52 0.00 0.00 34.95 33.05 1yx1 s ARG 138 CO 0.00 0.58 1.83 0.82 0.02 0.00 0.00 175.30 178.54 1yx1 h ILE 139 N 3.50 1.10 -0.09 1.52 2.04 -1.96 -2.83 117.51 120.79 1yx1 h ILE 139 Ca -0.48 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.16 1yx1 h ILE 139 Cb 1.17 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1yx1 h ILE 139 CO 0.55 0.12 0.05 -0.08 0.00 0.00 0.00 178.15 178.78 1yx1 h GLU 140 N 0.64 0.12 -0.41 2.37 4.81 -1.99 0.42 114.58 120.53 1yx1 h GLU 140 Ca 0.19 -0.01 -0.13 0.00 -0.13 0.00 0.00 59.36 59.27 1yx1 h GLU 140 Cb -0.04 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1yx1 h GLU 140 CO -0.06 0.14 -0.27 -0.24 -0.73 0.00 0.00 179.01 177.86 1yx1 h VAL 141 N 0.06 1.27 -0.52 0.32 3.04 -1.93 -2.05 116.25 116.45 1yx1 h VAL 141 Ca 0.03 -1.42 -0.06 0.00 -1.01 0.00 0.00 66.70 64.24 1yx1 h VAL 141 Cb 0.06 1.24 -0.02 0.00 -2.01 0.00 0.00 31.29 30.55 1yx1 h VAL 141 CO -0.01 0.48 0.07 -0.07 -1.01 0.00 0.00 177.57 177.03 1yx1 h LEU 142 N 0.74 0.78 -0.73 3.16 3.38 -1.21 -0.90 115.31 120.53 1yx1 h LEU 142 Ca 0.09 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1yx1 h LEU 142 Cb 0.82 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1yx1 h LEU 142 CO 0.07 0.80 0.47 -0.08 0.09 0.00 0.00 178.44 179.79 1yx1 h GLU 143 N 0.78 0.98 -0.23 1.13 4.22 -0.61 -0.50 114.58 120.35 1yx1 h GLU 143 Ca 0.16 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.52 1yx1 h GLU 143 Cb 0.37 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1yx1 h GLU 143 CO 0.01 0.67 0.11 -0.09 -2.18 0.00 0.00 179.01 177.52 1yx1 h ARG 144 N 0.99 0.33 0.26 1.92 2.43 -0.87 -1.40 114.38 118.05 1yx1 h ARG 144 Ca 0.27 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1yx1 h ARG 144 Cb -0.08 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 1yx1 h ARG 144 CO -0.05 0.35 -0.20 0.35 -1.51 0.00 0.00 179.97 178.91 1yx1 h PHE 145 N 0.24 -0.52 -0.10 2.20 3.57 -0.80 -1.53 116.94 120.00 1yx1 h PHE 145 Ca 0.08 -0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 1yx1 h PHE 145 Cb 0.13 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.05 1yx1 h PHE 145 CO -0.02 -0.30 -0.39 0.74 -2.23 0.00 0.00 178.31 176.11 1yx1 h PHE 146 N -0.46 0.24 -0.14 0.41 0.04 -0.97 0.55 116.94 116.60 1yx1 h PHE 146 Ca -0.02 -0.06 -0.00 0.00 2.80 0.00 0.00 57.97 60.69 1yx1 h PHE 146 Cb 0.41 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 1yx1 h PHE 146 CO -0.12 0.57 0.08 -0.09 -0.60 0.00 0.00 178.31 178.15 1yx1 h ARG 147 N 0.17 0.19 -0.41 1.51 2.43 -1.11 -1.46 114.38 115.71 1yx1 h ARG 147 Ca 0.02 -0.02 -0.13 0.00 -0.81 0.00 0.00 59.98 59.04 1yx1 h ARG 147 Cb 0.77 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 1yx1 h ARG 147 CO 0.06 0.16 -0.27 -0.07 -1.51 0.00 0.00 179.97 178.34 1yx1 h LEU 148 N 0.16 0.90 -0.81 3.80 3.38 -0.89 -2.02 115.31 119.83 1yx1 h LEU 148 Ca 0.05 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1yx1 h LEU 148 Cb 0.02 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.49 1yx1 h LEU 148 CO -0.01 1.11 0.43 0.00 0.09 0.00 0.00 178.44 180.07 1yx1 h ALA 149 N 0.94 1.04 -0.28 1.53 0.00 -0.80 -1.65 119.26 120.04 1yx1 h ALA 149 Ca 0.09 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1yx1 h ALA 149 Cb 0.83 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1yx1 h ALA 149 CO 0.07 0.56 -0.27 1.49 0.00 0.00 0.00 179.25 181.10 1yx1 h GLU 150 N 1.13 0.56 -0.26 0.00 4.22 -1.09 -1.32 114.58 117.82 1yx1 h GLU 150 Ca 0.28 -0.23 -0.10 0.00 0.08 0.00 0.00 59.36 59.39 1yx1 h GLU 150 Cb 0.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1yx1 h GLU 150 CO -0.04 0.78 -0.28 -0.09 -2.18 0.00 0.00 179.01 177.20 1yx1 h ARG 151 N 0.49 0.52 -0.00 1.92 2.43 -1.06 -1.49 114.38 117.19 1yx1 h ARG 151 Ca 0.07 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 1yx1 h ARG 151 Cb 0.72 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1yx1 h ARG 151 CO 0.06 0.75 -0.02 0.94 -1.51 0.00 0.00 179.97 180.18 1yx1 n GLN 152 N -4.10 0.49 -3.68 0.20 -0.06 -0.65 -4.93 117.38 104.65 1yx1 n GLN 152 Ca -0.01 -0.04 -0.25 0.00 -2.00 0.00 0.00 57.00 54.71 1yx1 n GLN 152 Cb 0.43 -1.50 0.06 0.00 -4.06 0.00 0.00 30.24 25.17 1yx1 n GLN 152 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1yx1 n GLN 153 N -1.22 -6.89 -2.50 3.69 6.02 -0.56 -4.98 117.38 110.93 1yx1 n GLN 153 Ca 0.15 0.75 -0.34 0.00 -0.01 0.00 0.00 57.00 57.54 1yx1 n GLN 153 Cb 0.24 -5.72 -0.03 0.00 1.02 0.00 0.00 30.24 25.76 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 -7.16 3.84 -1.36 1.08 1.43 -0.60 -4.95 118.68 110.97 1yx1 s LEU 154 Ca 0.51 1.97 -0.14 0.00 -1.03 0.00 0.00 54.13 55.44 1yx1 s LEU 154 Cb -0.23 -4.56 0.09 0.00 0.03 0.00 0.00 46.19 41.51 1yx1 s LEU 154 CO 0.77 -0.85 1.96 -0.67 0.23 0.00 0.00 176.35 177.79 1yx1 n ASP 155 N -1.00 4.51 -3.76 2.29 2.03 -1.26 -4.87 116.55 114.49 1yx1 n ASP 155 Ca 0.10 -2.93 -0.12 0.00 0.52 0.00 0.00 54.79 52.35 1yx1 n ASP 155 Cb 0.52 -1.64 -0.08 0.00 -0.72 0.00 0.00 41.12 39.20 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 2.21 0.90 0.00 -2.67 0.05 -1.26 -2.86 118.68 115.06 1yx1 s LEU 156 Ca 0.47 -0.05 0.00 0.00 0.05 0.00 0.00 54.13 54.60 1yx1 s LEU 156 Cb 0.09 1.28 0.00 0.00 -2.05 0.00 0.00 46.19 45.50 1yx1 s LEU 156 CO -0.02 -0.52 0.00 0.00 -0.55 0.00 0.00 176.35 175.27 1yx1 n ALA 157 N 0.98 0.00 -3.74 1.48 0.00 -0.50 -4.99 120.51 113.74 1yx1 n ALA 157 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.00 1yx1 n ALA 157 Cb 0.57 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.85 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 2.61 0.29 -0.47 0.00 2.01 -0.24 -1.45 115.64 118.39 1yx1 s THR 159 Ca 0.00 0.06 -0.21 0.00 0.31 0.00 0.00 61.69 61.85 1yx1 s THR 159 Cb 0.00 -0.55 0.03 0.00 0.01 0.00 0.00 72.50 72.00 1yx1 s THR 159 CO 0.00 0.14 0.66 0.12 -0.69 0.00 0.00 174.62 174.86 1yx1 s PHE 160 N 2.00 3.04 -0.43 4.92 5.36 0.13 -3.11 117.98 129.88 1yx1 s PHE 160 Ca 0.04 -0.19 -0.21 0.00 -0.96 0.00 0.00 56.93 55.61 1yx1 s PHE 160 Cb -0.13 -3.46 0.02 0.00 -0.34 0.00 0.00 43.02 39.11 1yx1 s PHE 160 CO -0.06 -0.96 0.63 0.34 -1.46 0.00 0.00 175.22 173.72 1yx1 s ASP 161 N 2.27 6.33 0.25 6.13 -1.08 -1.26 -0.77 116.67 128.54 1yx1 s ASP 161 Ca 0.21 -0.30 -0.05 0.00 -0.52 0.00 0.00 52.55 51.89 1yx1 s ASP 161 Cb -0.15 -2.32 0.31 0.00 -1.46 0.00 0.00 42.92 39.30 1yx1 s ASP 161 CO 0.17 -0.75 1.91 0.40 0.52 0.00 0.00 175.17 177.42 1yx1 h ILE 162 N 5.85 1.19 0.06 4.11 2.04 -1.46 -3.11 117.51 126.20 1yx1 h ILE 162 Ca -0.26 -0.44 -0.24 0.00 1.00 0.00 0.00 64.86 64.92 1yx1 h ILE 162 Cb 1.10 -0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 1yx1 h ILE 162 CO 0.88 0.23 -1.09 1.23 0.00 0.00 0.00 178.15 179.41 1yx1 h GLY 163 N 1.28 0.21 2.00 5.37 0.00 -1.78 -3.38 103.07 106.77 1yx1 h GLY 163 Ca 0.39 -0.50 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1yx1 h GLY 163 CO -0.12 0.44 -0.10 3.43 0.00 0.00 0.00 176.54 180.20 1yx1 h ASN 164 N 0.07 0.00 -0.87 0.19 2.35 -1.87 -1.52 115.58 113.93 1yx1 h ASN 164 Ca -0.08 -0.00 0.19 0.00 -0.55 0.00 0.00 56.30 55.86 1yx1 h ASN 164 Cb 1.81 -0.00 -0.06 0.00 0.05 0.00 0.00 38.32 40.12 1yx1 h ASN 164 CO 0.17 0.10 0.58 -0.50 -1.65 0.00 0.00 177.43 176.13 1yx1 h TRP 165 N 0.00 0.51 -0.92 1.19 4.06 -1.74 -2.04 115.95 117.01 1yx1 h TRP 165 Ca -0.00 0.02 0.09 0.00 2.06 0.00 0.00 58.89 61.05 1yx1 h TRP 165 Cb 0.17 -0.16 -0.07 0.00 -1.00 0.00 0.00 29.16 28.10 1yx1 h TRP 165 CO 0.00 0.15 0.57 0.00 -3.56 0.00 0.00 178.44 175.59 1yx1 h ARG 166 N 0.39 0.95 0.00 0.49 2.47 -1.43 -0.98 114.38 116.27 1yx1 h ARG 166 Ca 0.45 -0.06 -0.00 0.00 -1.26 0.00 0.00 59.98 59.11 1yx1 h ARG 166 Cb 1.13 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 29.23 1yx1 h ARG 166 CO -0.16 0.63 -0.00 -1.49 0.56 0.00 0.00 179.97 179.50 1yx1 h TRP 167 N 0.97 0.00 -0.54 3.04 6.55 -1.54 -1.68 115.95 122.76 1yx1 h TRP 167 Ca 0.43 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.27 1yx1 h TRP 167 Cb 0.31 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.61 1yx1 h TRP 167 CO -0.03 0.00 0.00 1.04 -1.05 0.00 0.00 178.44 178.41 1yx1 n GLN 168 N -3.89 3.00 -3.84 0.49 1.13 -0.46 -4.95 117.38 108.86 1yx1 n GLN 168 Ca -0.03 -2.49 -0.29 0.00 -1.94 0.00 0.00 57.00 52.25 1yx1 n GLN 168 Cb 0.09 -1.54 0.04 0.00 0.11 0.00 0.00 30.24 28.94 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 0.96 -6.00 -4.08 -1.09 1.02 -0.63 -4.99 120.64 105.82 1yx1 n GLU 169 Ca 0.20 0.65 -0.31 0.00 -0.02 0.00 0.00 57.16 57.67 1yx1 n GLU 169 Cb 0.62 -5.57 -0.07 0.00 -0.02 0.00 0.00 31.44 26.40 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 -6.55 2.96 -0.16 3.49 -1.52 -0.69 -5.03 119.66 112.16 1yx1 s GLN 170 Ca 0.65 -0.61 -0.24 0.00 -1.95 0.00 0.00 55.36 53.21 1yx1 s GLN 170 Cb -0.32 -2.78 -0.02 0.00 -0.22 0.00 0.00 33.01 29.68 1yx1 s GLN 170 CO 0.80 0.60 0.79 0.00 -0.25 0.00 0.00 175.29 177.23 1yx1 s ALA 171 N -1.31 3.50 0.36 6.09 0.00 -1.26 -4.14 121.76 125.00 1yx1 s ALA 171 Ca 0.27 -0.00 0.03 0.00 0.00 0.00 0.00 51.96 52.26 1yx1 s ALA 171 Cb -0.12 -3.17 0.67 0.00 0.00 0.00 0.00 23.12 20.50 1yx1 s ALA 171 CO 0.19 -0.59 2.00 0.00 0.00 0.00 0.00 175.76 177.36 1yx1 h ALA 172 N 7.31 1.59 -0.41 0.00 0.00 -1.93 -0.16 119.26 125.65 1yx1 h ALA 172 Ca -0.31 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1yx1 h ALA 172 Cb 1.14 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1yx1 h ALA 172 CO 0.82 0.36 0.23 -0.44 0.00 0.00 0.00 179.25 180.21 1yx1 h ASP 173 N 0.82 0.51 -0.35 0.00 5.19 -1.97 0.23 116.42 120.85 1yx1 h ASP 173 Ca 0.25 -0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.55 1yx1 h ASP 173 Cb -0.01 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.35 1yx1 h ASP 173 CO -0.06 0.45 0.13 -0.08 -3.12 0.00 0.00 179.24 176.57 1yx1 h GLU 174 N 0.53 0.53 -0.87 3.56 4.81 -1.87 -1.87 114.58 119.41 1yx1 h GLU 174 Ca 0.14 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1yx1 h GLU 174 Cb 0.05 -0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.30 1yx1 h GLU 174 CO -0.02 0.53 0.56 0.00 -0.73 0.00 0.00 179.01 179.35 1yx1 h ALA 175 N 0.98 1.12 -0.54 2.92 0.00 -0.58 -1.98 119.26 121.18 1yx1 h ALA 175 Ca 0.12 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 1yx1 h ALA 175 Cb 0.20 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1yx1 h ALA 175 CO -0.01 0.44 -0.08 0.00 0.00 0.00 0.00 179.25 179.61 1yx1 h ALA 176 N 1.34 0.84 -0.25 0.00 0.00 -0.38 0.14 119.26 120.94 1yx1 h ALA 176 Ca 0.33 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1yx1 h ALA 176 Cb -0.05 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 1yx1 h ALA 176 CO -0.10 0.66 0.09 1.25 0.00 0.00 0.00 179.25 181.15 1yx1 h LEU 177 N 0.89 0.10 0.00 0.00 5.85 -1.10 0.10 115.31 121.14 1yx1 h LEU 177 Ca 0.15 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.74 1yx1 h LEU 177 Cb 0.63 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1yx1 h LEU 177 CO 0.04 0.09 -0.92 0.03 -0.34 0.00 0.00 178.44 177.34 1yx1 h ARG 178 N 0.20 0.00 -0.00 1.25 3.08 -1.13 -3.38 114.38 114.40 1yx1 h ARG 178 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 1yx1 h ARG 178 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1yx1 h ARG 178 CO -0.11 0.54 -0.24 1.28 -1.07 0.00 0.00 179.97 180.36 1yx1 n LEU 179 N -3.15 0.45 -0.21 3.04 4.77 0.46 -4.76 117.00 117.61 1yx1 n LEU 179 Ca -0.03 -0.57 0.16 0.00 -0.03 0.00 0.00 56.01 55.55 1yx1 n LEU 179 Cb 0.82 0.00 0.49 0.00 -2.33 0.00 0.00 43.42 42.40 1yx1 n LEU 179 CO 0.43 0.10 1.22 1.23 -1.33 0.00 0.00 177.39 179.04 1yx1 h GLY 180 N 1.39 0.82 2.00 -0.72 0.00 -1.11 -0.69 103.07 104.76 1yx1 h GLY 180 Ca 0.00 -0.20 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1yx1 h GLY 180 CO 0.00 0.04 -0.01 0.07 0.00 0.00 0.00 176.54 176.64 1yx1 h ARG 181 N 0.45 0.00 -0.01 4.80 0.11 -1.83 -2.27 114.38 115.63 1yx1 h ARG 181 Ca 0.41 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.49 1yx1 h ARG 181 Cb 0.95 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.03 1yx1 h ARG 181 CO -0.15 0.01 -0.45 0.66 0.10 0.00 0.00 179.97 180.14 1yx1 n TYR 182 N -3.20 0.00 -2.74 4.08 4.01 -0.26 -4.94 117.16 114.10 1yx1 n TYR 182 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 1yx1 n TYR 182 Cb 0.14 -0.09 -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 -2.63 4.79 -0.63 -0.72 1.01 -0.85 -4.70 120.40 116.66 1yx1 s VAL 183 Ca 0.19 1.91 0.06 0.00 0.00 0.00 0.00 61.98 64.13 1yx1 s VAL 183 Cb 0.18 -4.26 0.03 0.00 0.00 0.00 0.00 36.38 32.33 1yx1 s VAL 183 CO 0.61 -0.04 0.60 0.61 0.00 0.00 0.00 175.10 176.88 1yx1 n GLY 184 N 3.28 -0.68 3.61 4.51 0.00 -1.26 -4.51 105.19 110.14 1yx1 n GLY 184 Ca 0.08 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.64 -0.78 -0.11 1.61 5.04 -1.26 -4.26 117.35 116.95 1yx1 s TYR 185 Ca 0.06 1.89 0.04 0.00 -2.44 0.00 0.00 57.07 56.61 1yx1 s TYR 185 Cb 0.05 0.28 -0.00 0.00 0.35 0.00 0.00 41.96 42.64 1yx1 s TYR 185 CO 0.09 -0.38 -0.23 0.08 -1.34 0.00 0.00 175.55 173.77 1yx1 s VAL 186 N 0.45 2.13 -0.32 3.14 1.01 -0.07 -0.69 120.40 126.05 1yx1 s VAL 186 Ca -0.01 -0.99 -0.16 0.00 0.00 0.00 0.00 61.98 60.83 1yx1 s VAL 186 Cb -0.05 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.49 1yx1 s VAL 186 CO -0.00 0.56 0.39 -1.00 0.00 0.00 0.00 175.10 175.04 1yx1 s HIS 187 N 0.39 3.21 -0.24 5.22 3.76 0.05 -0.04 115.29 127.65 1yx1 s HIS 187 Ca -0.17 0.14 -0.13 0.00 -0.15 0.00 0.00 55.06 54.75 1yx1 s HIS 187 Cb -0.18 -2.68 -0.04 0.00 1.11 0.00 0.00 32.58 30.79 1yx1 s HIS 187 CO 0.08 -0.39 0.26 0.00 -0.85 0.00 0.00 174.74 173.84 1yx1 s LYS 189 N 1.32 0.94 0.27 0.00 -2.85 -1.26 -1.74 119.74 116.43 1yx1 s LYS 189 Ca 0.12 0.49 -0.02 0.00 -1.00 0.00 0.00 55.97 55.56 1yx1 s LYS 189 Cb -0.14 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 36.03 1yx1 s LYS 189 CO 0.07 -0.24 0.50 0.00 0.10 0.00 0.00 175.35 175.77 1yx1 s ALA 190 N -0.65 3.71 -0.04 0.59 0.00 -0.89 -3.89 121.76 120.60 1yx1 s ALA 190 Ca -0.06 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1yx1 s ALA 190 Cb -0.02 -2.14 0.02 0.00 0.00 0.00 0.00 23.12 20.98 1yx1 s ALA 190 CO 0.06 0.24 -0.05 0.08 0.00 0.00 0.00 175.76 176.09 1yx1 s VAL 191 N -2.07 0.55 0.19 0.00 1.01 -1.26 -0.72 120.40 118.10 1yx1 s VAL 191 Ca 0.41 -0.13 0.09 0.00 0.00 0.00 0.00 61.98 62.35 1yx1 s VAL 191 Cb -0.10 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 1yx1 s VAL 191 CO 0.31 0.23 -0.19 0.27 0.00 0.00 0.00 175.10 175.72 1yx1 s ILE 192 N 0.89 1.98 -0.19 2.22 -4.36 -0.57 -4.96 121.20 116.21 1yx1 s ILE 192 Ca -0.11 -2.05 -0.24 0.00 -0.26 0.00 0.00 60.65 57.98 1yx1 s ILE 192 Cb -0.14 -1.98 -0.01 0.00 1.25 0.00 0.00 42.46 41.57 1yx1 s ILE 192 CO 0.00 -0.34 0.79 -0.60 0.24 0.00 0.00 174.94 175.04 1yx1 s ARG 193 N -3.00 4.26 1.02 0.37 3.52 -1.26 -1.17 118.95 122.68 1yx1 s ARG 193 Ca 0.19 0.93 -0.17 0.00 -0.13 0.00 0.00 55.73 56.55 1yx1 s ARG 193 Cb -0.05 -3.59 0.24 0.00 -1.56 0.00 0.00 34.95 29.99 1yx1 s ARG 193 CO 0.08 -0.35 1.20 0.27 -0.81 0.00 0.00 175.30 175.69 1yx1 n ASN 194 N 5.37 -0.62 0.18 -2.12 0.23 0.24 -4.84 115.26 113.70 1yx1 n ASN 194 Ca 0.04 -1.35 0.04 0.00 -0.53 0.00 0.00 54.58 52.77 1yx1 n ASN 194 Cb 0.49 -0.97 0.43 0.00 -2.08 0.00 0.00 39.78 37.65 1yx1 n ASN 194 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 1yx1 h ARG 195 N 0.00 0.07 0.00 -3.83 2.43 -1.97 -0.18 114.38 110.90 1yx1 h ARG 195 Ca -0.41 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1yx1 h ARG 195 Cb 1.16 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1yx1 h ARG 195 CO 0.28 0.29 0.00 -0.25 -1.51 0.00 0.00 179.97 178.78 1yx1 n ASP 196 N -4.25 0.00 0.00 -3.80 8.00 -1.26 -4.90 116.55 110.34 1yx1 n ASP 196 Ca -0.02 0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.92 1yx1 n ASP 196 Cb 0.29 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.92 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 0.56 0.63 3.82 0.44 0.00 -0.08 -5.07 105.19 105.50 1yx1 n GLY 197 Ca 0.05 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.81 3.87 0.18 1.61 2.20 -1.26 -4.71 119.74 120.82 1yx1 s LYS 198 Ca 0.00 0.21 -0.30 0.00 -0.36 0.00 0.00 55.97 55.51 1yx1 s LYS 198 Cb 0.00 -3.26 -0.08 0.00 -1.51 0.00 0.00 37.83 32.98 1yx1 s LYS 198 CO 0.00 0.61 1.29 -0.51 -0.36 0.00 0.00 175.35 176.38 1yx1 s LEU 199 N -0.72 4.41 -0.02 5.43 1.43 -1.26 -0.59 118.68 127.36 1yx1 s LEU 199 Ca 0.20 2.34 -0.02 0.00 -1.03 0.00 0.00 54.13 55.62 1yx1 s LEU 199 Cb -0.15 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1yx1 s LEU 199 CO 0.09 -0.51 0.07 0.68 0.23 0.00 0.00 176.35 176.91 1yx1 s VAL 200 N 0.23 0.01 0.15 -1.59 -7.23 -0.32 -4.95 120.40 106.71 1yx1 s VAL 200 Ca 0.57 -0.11 -0.29 0.00 -1.81 0.00 0.00 61.98 60.34 1yx1 s VAL 200 Cb -0.35 -0.14 -0.07 0.00 0.56 0.00 0.00 36.38 36.38 1yx1 s VAL 200 CO 0.37 -0.06 0.92 0.00 -0.31 0.00 0.00 175.10 176.02 1yx1 s ALA 201 N -0.16 3.30 0.14 1.32 0.00 -1.26 -1.51 121.76 123.60 1yx1 s ALA 201 Ca -0.02 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.49 1yx1 s ALA 201 Cb -0.02 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1yx1 s ALA 201 CO 0.00 0.09 0.00 0.14 0.00 0.00 0.00 175.76 175.99 1yx1 s VAL 202 N -0.49 0.52 0.60 0.00 -7.23 0.10 -4.64 120.40 109.27 1yx1 s VAL 202 Ca 0.43 -1.95 -0.18 0.00 -1.81 0.00 0.00 61.98 58.47 1yx1 s VAL 202 Cb -0.24 -1.99 -0.03 0.00 0.56 0.00 0.00 36.38 34.68 1yx1 s VAL 202 CO 0.30 -0.57 1.20 -2.84 -0.31 0.00 0.00 175.10 172.87 1yx1 s PRO 203 N -3.93 2.94 0.38 4.82 0.02 -1.26 -2.09 135.00 135.87 1yx1 s PRO 203 Ca 0.21 1.80 -0.26 0.00 0.02 0.00 0.00 61.00 62.77 1yx1 s PRO 203 Cb 0.06 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.57 1yx1 s PRO 203 CO 0.01 -1.23 1.12 -1.25 -0.33 0.00 0.00 177.00 175.32 1yx1 s PRO 204 N -3.39 4.20 0.90 5.54 0.04 -1.26 -4.74 135.00 136.29 1yx1 s PRO 204 Ca 0.77 1.73 -0.12 0.00 0.04 0.00 0.00 61.00 63.41 1yx1 s PRO 204 Cb -0.30 -2.73 0.17 0.00 0.04 0.00 0.00 34.50 31.69 1yx1 s PRO 204 CO 0.34 -0.16 1.24 -1.54 0.04 0.00 0.00 177.00 176.92 1yx1 s SER 205 N -1.22 3.49 0.19 6.66 1.04 -1.26 -4.90 113.70 117.69 1yx1 s SER 205 Ca 0.55 0.17 -0.12 0.00 0.48 0.00 0.00 55.95 57.03 1yx1 s SER 205 Cb -0.28 -0.32 0.11 0.00 0.10 0.00 0.00 66.02 65.62 1yx1 s SER 205 CO 0.35 -2.48 1.82 0.00 0.98 0.00 0.00 173.24 173.92 1yx1 h ALA 206 N -1.36 0.83 -1.00 5.32 0.00 -2.00 -1.75 119.26 119.30 1yx1 h ALA 206 Ca -0.43 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.44 1yx1 h ALA 206 Cb 1.25 -0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.72 1yx1 h ALA 206 CO 0.41 0.32 0.65 0.00 0.00 0.00 0.00 179.25 180.63 1yx1 h ALA 207 N 1.20 1.36 -0.41 0.00 0.00 -2.00 -2.15 119.26 117.25 1yx1 h ALA 207 Ca 0.23 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1yx1 h ALA 207 Cb -0.01 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1yx1 h ALA 207 CO -0.04 0.54 0.08 -0.44 0.00 0.00 0.00 179.25 179.39 1yx1 h ASP 208 N 1.25 0.64 -0.68 0.00 3.32 -1.73 -1.79 116.42 117.43 1yx1 h ASP 208 Ca 0.40 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 1yx1 h ASP 208 Cb 0.02 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 1yx1 h ASP 208 CO -0.13 0.73 0.38 -0.07 -1.72 0.00 0.00 179.24 178.42 1yx1 h LEU 209 N 0.54 0.86 -0.55 1.55 3.38 -0.92 -0.18 115.31 119.99 1yx1 h LEU 209 Ca 0.13 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 1yx1 h LEU 209 Cb 0.35 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1yx1 h LEU 209 CO 0.00 0.70 -0.18 -0.61 0.09 0.00 0.00 178.44 178.44 1yx1 h GLN 210 N 0.97 0.98 -0.54 1.13 4.15 -1.18 -0.52 115.11 120.11 1yx1 h GLN 210 Ca 0.25 -0.40 -0.03 0.00 0.77 0.00 0.00 58.65 59.24 1yx1 h GLN 210 Cb 0.03 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.65 1yx1 h GLN 210 CO -0.04 1.07 0.23 -0.92 -1.93 0.00 0.00 178.83 177.24 1yx1 h TYR 211 N 0.86 0.81 -0.28 3.99 3.20 -0.78 -2.45 116.97 122.32 1yx1 h TYR 211 Ca 0.12 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 61.86 1yx1 h TYR 211 Cb 0.75 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 1yx1 h TYR 211 CO 0.05 0.66 -0.14 -1.49 -1.64 0.00 0.00 178.16 175.59 1yx1 h TRP 212 N 0.73 0.52 -0.59 -3.82 6.55 -0.64 -0.56 115.95 118.14 1yx1 h TRP 212 Ca 0.18 -0.08 0.02 0.00 0.95 0.00 0.00 58.89 59.96 1yx1 h TRP 212 Cb 0.18 -0.14 -0.04 0.00 -0.86 0.00 0.00 29.16 28.31 1yx1 h TRP 212 CO 0.00 0.61 0.36 0.37 -1.05 0.00 0.00 178.44 178.74 1yx1 h GLN 213 N 0.45 0.69 -0.77 0.49 4.15 -0.74 -0.05 115.11 119.32 1yx1 h GLN 213 Ca 0.08 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.41 1yx1 h GLN 213 Cb 0.51 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 28.01 1yx1 h GLN 213 CO 0.03 0.46 0.28 0.00 -1.93 0.00 0.00 178.83 177.67 1yx1 h ARG 214 N 0.71 1.17 -0.95 1.69 3.08 -0.90 -2.87 114.38 116.31 1yx1 h ARG 214 Ca 0.23 -0.23 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1yx1 h ARG 214 Cb 0.01 -0.18 -0.05 0.00 0.08 0.00 0.00 29.97 29.83 1yx1 h ARG 214 CO -0.10 0.96 0.60 -0.07 -1.07 0.00 0.00 179.97 180.30 1yx1 h LEU 215 N 1.13 1.12 -1.88 3.04 3.38 -0.46 -2.51 115.31 119.13 1yx1 h LEU 215 Ca 0.25 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1yx1 h LEU 215 Cb 0.25 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1yx1 h LEU 215 CO -0.02 0.83 0.00 -0.07 0.09 0.00 0.00 178.44 179.28 1yx1 h LEU 216 N 1.30 0.00 -2.53 1.67 3.38 -0.79 -0.89 115.31 117.45 1yx1 h LEU 216 Ca 0.34 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 1yx1 h LEU 216 Cb -0.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1yx1 h LEU 216 CO -0.07 0.00 -0.01 1.56 0.09 0.00 0.00 178.44 180.01 1yx1 h GLN 217 N 0.00 0.00 0.00 1.13 4.20 -1.42 -2.33 115.11 116.69 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 0.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1yx1 h GLN 217 CO 0.00 0.01 -0.58 0.72 -0.67 0.00 0.00 178.83 178.32 1yx1 n HIS 218 N -3.23 0.27 -4.22 2.96 8.25 -0.34 -4.90 115.22 114.01 1yx1 n HIS 218 Ca -0.02 0.08 -0.27 0.00 -0.26 0.00 0.00 57.72 57.25 1yx1 n HIS 218 Cb 0.13 -0.45 -0.08 0.00 1.12 0.00 0.00 29.99 30.71 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 -3.09 2.81 0.25 4.41 0.08 -0.88 -4.06 117.98 117.51 1yx1 s PHE 219 Ca 0.08 -0.15 -0.31 0.00 0.12 0.00 0.00 56.93 56.68 1yx1 s PHE 219 Cb 0.15 -1.36 -0.13 0.00 -0.57 0.00 0.00 43.02 41.11 1yx1 s PHE 219 CO 0.71 0.52 1.34 -2.30 -0.10 0.00 0.00 175.22 175.39 1yx1 n PRO 220 N -0.10 1.92 -1.71 0.24 -0.02 -1.26 -4.81 135.00 129.25 1yx1 n PRO 220 Ca -0.10 0.68 -0.43 0.00 -2.02 0.00 0.00 63.50 61.64 1yx1 n PRO 220 Cb 0.55 -2.29 -0.01 0.00 -0.02 0.00 0.00 33.50 31.72 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 1.69 2.32 -1.01 -0.52 2.13 -1.26 -2.10 120.64 121.88 1yx1 n GLU 221 Ca 0.11 0.82 -0.00 0.00 0.66 0.00 0.00 57.16 58.74 1yx1 n GLU 221 Cb 0.32 -2.49 -0.00 0.00 0.27 0.00 0.00 31.44 29.53 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 1.50 0.47 3.65 8.31 0.00 -1.26 -5.01 105.19 112.84 1yx1 n GLY 222 Ca 0.07 -0.20 -0.44 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.89 1.63 -1.76 1.61 3.14 -0.89 -4.42 118.33 114.74 1yx1 n VAL 223 Ca -0.00 -0.41 -0.41 0.00 -2.96 0.00 0.00 64.34 60.55 1yx1 n VAL 223 Cb 0.06 -1.33 -0.00 0.00 -1.06 0.00 0.00 33.84 31.51 1yx1 n VAL 223 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1yx1 n ALA 224 N 0.81 2.14 -2.55 1.55 0.00 -1.26 -4.66 120.51 116.54 1yx1 n ALA 224 Ca 0.09 0.35 -0.23 0.00 0.00 0.00 0.00 53.44 53.64 1yx1 n ALA 224 Cb 0.33 -2.38 -0.15 0.00 0.00 0.00 0.00 19.45 17.24 1yx1 n ALA 224 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1yx1 s ARG 225 N -2.02 1.21 -0.06 0.00 3.03 -0.76 -0.89 118.95 119.45 1yx1 s ARG 225 Ca 0.54 -0.56 0.04 0.00 2.03 0.00 0.00 55.73 57.78 1yx1 s ARG 225 Cb -0.50 -1.17 -0.02 0.00 -1.03 0.00 0.00 34.95 32.23 1yx1 s ARG 225 CO 0.63 0.32 -0.18 0.00 -1.13 0.00 0.00 175.30 174.94 1yx1 s ALA 226 N -0.39 2.49 -0.06 7.88 0.00 0.94 -0.24 121.76 132.38 1yx1 s ALA 226 Ca 0.06 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 50.73 1yx1 s ALA 226 Cb -0.06 -0.90 -0.03 0.00 0.00 0.00 0.00 23.12 22.12 1yx1 s ALA 226 CO -0.00 0.46 1.22 0.42 0.00 0.00 0.00 175.76 177.85 1yx1 s ILE 227 N -0.37 4.23 -0.38 0.00 1.01 0.16 -0.64 121.20 125.22 1yx1 s ILE 227 Ca 0.03 1.55 0.11 0.00 0.00 0.00 0.00 60.65 62.35 1yx1 s ILE 227 Cb -0.12 -4.00 0.33 0.00 0.01 0.00 0.00 42.46 38.67 1yx1 s ILE 227 CO 0.02 -0.02 0.69 1.21 0.00 0.00 0.00 174.94 176.85 1yx1 n GLU 228 N 5.35 0.91 -3.94 2.79 2.13 -0.71 -0.90 120.64 126.27 1yx1 n GLU 228 Ca 0.11 -3.29 -0.10 0.00 0.66 0.00 0.00 57.16 54.55 1yx1 n GLU 228 Cb 0.46 -1.57 -0.06 0.00 0.27 0.00 0.00 31.44 30.53 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 -2.04 0.33 0.16 4.31 -0.85 -1.26 -4.58 117.35 113.43 1yx1 s TYR 229 Ca 0.38 -0.69 -0.32 0.00 -0.52 0.00 0.00 57.07 55.92 1yx1 s TYR 229 Cb 0.31 0.03 -0.12 0.00 0.38 0.00 0.00 41.96 42.56 1yx1 s TYR 229 CO -0.09 -0.78 1.74 -2.30 -1.52 0.00 0.00 175.55 172.60 1yx1 n PRO 230 N -0.26 2.65 -4.02 -3.49 -0.02 -1.26 -4.48 135.00 124.12 1yx1 n PRO 230 Ca -0.07 0.96 -0.31 0.00 -2.02 0.00 0.00 63.50 62.06 1yx1 n PRO 230 Cb 0.63 -2.81 -0.15 0.00 -0.02 0.00 0.00 33.50 31.15 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 1.76 4.46 -0.02 2.45 1.43 0.29 -4.62 118.68 124.44 1yx1 s LEU 231 Ca 0.79 -1.97 0.02 0.00 -1.03 0.00 0.00 54.13 51.93 1yx1 s LEU 231 Cb -0.53 -1.62 0.01 0.00 0.03 0.00 0.00 46.19 44.07 1yx1 s LEU 231 CO 0.36 -0.34 -0.05 -1.10 0.23 0.00 0.00 176.35 175.45 1yx1 s GLN 232 N 0.96 0.58 0.00 1.70 -0.21 -1.26 -4.38 119.66 117.04 1yx1 s GLN 232 Ca 0.06 -0.16 0.00 0.00 0.02 0.00 0.00 55.36 55.28 1yx1 s GLN 232 Cb -0.19 -0.59 0.00 0.00 1.00 0.00 0.00 33.01 33.23 1yx1 s GLN 232 CO -0.07 0.05 0.00 0.41 -2.12 0.00 0.00 175.29 173.56 1yx1 n GLY 233 N 3.36 0.02 0.20 3.09 0.00 -1.26 -4.99 105.19 105.61 1yx1 n GLY 233 Ca -0.18 -1.16 0.08 0.00 0.00 0.00 0.00 46.02 44.77 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 -2.72 1.61 3.32 -2.06 -3.39 116.42 113.18 1yx1 h ASP 234 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 1yx1 h ASP 234 Cb 0.00 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.16 1yx1 h ASP 234 CO 0.00 0.25 -0.85 -0.62 -1.72 0.00 0.00 179.24 176.30 1yx1 s ASP 235 N -6.25 2.64 0.42 6.45 -1.08 -1.26 -4.98 116.67 112.61 1yx1 s ASP 235 Ca 0.03 -2.88 0.15 0.00 -0.52 0.00 0.00 52.55 49.33 1yx1 s ASP 235 Cb 0.08 -0.69 0.91 0.00 -1.46 0.00 0.00 42.92 41.75 1yx1 s ASP 235 CO 0.68 -0.21 1.92 -0.07 0.52 0.00 0.00 175.17 178.01 1yx1 h LEU 236 N 6.14 0.00 0.37 -1.34 3.38 -1.98 -1.63 115.31 120.25 1yx1 h LEU 236 Ca 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1yx1 h LEU 236 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1yx1 h LEU 236 CO 0.41 0.27 -0.18 0.25 0.09 0.00 0.00 178.44 179.28 1yx1 h LEU 237 N 0.00 -0.42 -0.20 1.67 5.85 -1.93 0.80 115.31 121.07 1yx1 h LEU 237 Ca -0.00 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.66 1yx1 h LEU 237 Cb 0.48 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1yx1 h LEU 237 CO 0.03 -0.17 0.04 0.28 -0.34 0.00 0.00 178.44 178.28 1yx1 h SER 238 N -0.67 0.01 0.08 1.25 0.02 -1.96 0.30 113.55 112.59 1yx1 h SER 238 Ca -0.05 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1yx1 h SER 238 Cb 0.48 0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.06 1yx1 h SER 238 CO 0.08 0.03 -0.04 0.25 -1.14 0.00 0.00 176.83 176.02 1yx1 h LEU 239 N 0.12 -0.09 -0.86 5.07 5.85 -1.29 -2.03 115.31 122.07 1yx1 h LEU 239 Ca 0.09 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.83 1yx1 h LEU 239 Cb 0.09 0.02 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1yx1 h LEU 239 CO -0.12 -0.04 0.55 0.28 -0.34 0.00 0.00 178.44 178.77 1yx1 h SER 240 N -0.14 0.89 -0.50 1.25 0.02 -0.66 -1.53 113.55 112.89 1yx1 h SER 240 Ca -0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 1yx1 h SER 240 Cb 0.11 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1yx1 h SER 240 CO 0.02 0.60 0.28 -0.09 -1.14 0.00 0.00 176.83 176.49 1yx1 h ARG 241 N 1.04 0.69 -0.35 3.45 2.43 -0.72 0.32 114.38 121.23 1yx1 h ARG 241 Ca 0.36 -0.08 -0.03 0.00 -0.81 0.00 0.00 59.98 59.42 1yx1 h ARG 241 Cb 0.07 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1yx1 h ARG 241 CO -0.14 0.54 0.09 0.00 -1.51 0.00 0.00 179.97 178.95 1yx1 h ARG 242 N 0.66 0.56 -0.51 0.20 3.08 -0.89 -0.95 114.38 116.53 1yx1 h ARG 242 Ca 0.18 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 1yx1 h ARG 242 Cb 0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.00 1yx1 h ARG 242 CO -0.03 0.60 -0.03 0.45 -1.07 0.00 0.00 179.97 179.90 1yx1 h HIS 243 N 0.42 1.00 -0.34 3.04 3.86 -0.98 -1.84 115.15 120.32 1yx1 h HIS 243 Ca 0.11 -0.18 0.04 0.00 -1.16 0.00 0.00 60.37 59.18 1yx1 h HIS 243 Cb 0.29 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.47 1yx1 h HIS 243 CO 0.01 0.94 0.12 0.82 0.86 0.00 0.00 177.93 180.68 1yx1 h ILE 244 N 0.77 0.91 -0.80 2.45 2.04 -0.89 -2.41 117.51 119.58 1yx1 h ILE 244 Ca 0.14 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.89 1yx1 h ILE 244 Cb 0.56 0.62 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 1yx1 h ILE 244 CO 0.03 0.05 0.44 0.00 0.00 0.00 0.00 178.15 178.67 1yx1 h ALA 245 N 1.21 1.03 -0.81 1.87 0.00 -0.91 0.19 119.26 121.84 1yx1 h ALA 245 Ca 0.15 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1yx1 h ALA 245 Cb 0.12 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1yx1 h ALA 245 CO -0.15 0.55 0.34 0.00 0.00 0.00 0.00 179.25 179.99 1yx1 h ALA 246 N 1.23 1.08 0.03 0.00 0.00 -1.19 -2.98 119.26 117.42 1yx1 h ALA 246 Ca 0.28 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 1yx1 h ALA 246 Cb 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1yx1 h ALA 246 CO -0.04 0.67 -0.97 -0.07 0.00 0.00 0.00 179.25 178.83 1yx1 h LEU 247 N 1.17 0.18 -1.88 0.00 3.38 -0.86 -3.17 115.31 114.14 1yx1 h LEU 247 Ca 0.27 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1yx1 h LEU 247 Cb 0.19 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1yx1 h LEU 247 CO -0.03 1.04 -0.13 0.00 0.09 0.00 0.00 178.44 179.42 1yx1 h ALA 248 N 0.94 1.42 -0.21 1.53 0.00 -0.51 -2.72 119.26 119.70 1yx1 h ALA 248 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1yx1 h ALA 248 Cb 1.66 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1yx1 h ALA 248 CO 0.14 0.16 0.00 2.89 0.00 0.00 0.00 179.25 182.45 1yx1 n ARG 249 N -3.85 1.88 -2.57 0.00 1.85 -1.18 -0.49 116.66 112.30 1yx1 n ARG 249 Ca -0.02 -1.70 -0.42 0.00 -1.00 0.00 0.00 57.85 54.70 1yx1 n ARG 249 Cb 0.23 -1.26 -0.03 0.00 -1.05 0.00 0.00 32.46 30.35 1yx1 n ARG 249 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1yx1 s LEU 250 N -1.00 4.28 0.00 2.89 2.96 -1.03 -2.90 118.68 123.88 1yx1 s LEU 250 Ca 0.20 1.71 0.00 0.00 -0.22 0.00 0.00 54.13 55.82 1yx1 s LEU 250 Cb 0.12 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.25 1yx1 s LEU 250 CO 0.16 -0.49 0.00 0.61 -1.32 0.00 0.00 176.35 175.32 1yx1 n GLY 251 N 3.19 3.25 0.00 7.98 0.00 -1.26 -4.93 105.19 113.42 1yx1 n GLY 251 Ca 0.09 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1yx1 n GLY 251 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26