#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8i s GLN 2 N 0.00 0.12 0.15 1.45 0.00 -1.26 -4.59 119.66 115.54 1y8i s GLN 2 Ca 0.00 0.05 0.06 0.00 -0.00 0.00 0.00 55.36 55.47 1y8i s GLN 2 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 33.01 32.71 1y8i s GLN 2 CO 0.00 -0.07 -0.12 -0.51 0.00 0.00 0.00 175.29 174.58 1y8i s LEU 3 N 0.57 2.49 0.92 2.60 1.02 -1.26 -5.09 118.68 119.93 1y8i s LEU 3 Ca -0.05 -0.94 -0.11 0.00 0.02 0.00 0.00 54.13 53.06 1y8i s LEU 3 Cb -0.08 -0.49 0.15 0.00 0.02 0.00 0.00 46.19 45.79 1y8i s LEU 3 CO -0.01 -0.23 1.11 -0.55 0.02 0.00 0.00 176.35 176.69 1y8i s SER 4 N -2.92 3.04 0.20 2.29 0.15 -1.26 -4.79 113.70 110.41 1y8i s SER 4 Ca 0.15 1.92 -0.11 0.00 0.70 0.00 0.00 55.95 58.61 1y8i s SER 4 Cb -0.01 -2.46 0.14 0.00 -1.71 0.00 0.00 66.02 61.98 1y8i s SER 4 CO 0.03 -2.98 1.86 1.23 1.20 0.00 0.00 173.24 174.58 1y8i h GLY 5 N -1.78 1.03 1.98 9.45 0.00 -2.01 -0.36 103.07 111.37 1y8i h GLY 5 Ca -0.47 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.46 1y8i h GLY 5 CO 0.47 0.39 0.00 1.18 0.00 0.00 0.00 176.54 178.58 1y8i n GLU 6 N -4.56 0.02 -0.03 4.80 1.02 -1.26 -3.33 120.64 117.29 1y8i n GLU 6 Ca 0.07 0.12 -0.08 0.00 -0.02 0.00 0.00 57.16 57.24 1y8i n GLU 6 Cb 0.03 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 29.88 1y8i n GLU 6 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 1y8i h GLU 7 N 0.00 -0.05 -1.02 3.49 5.08 -1.40 -3.06 114.58 117.63 1y8i h GLU 7 Ca 0.00 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.61 1y8i h GLU 7 Cb 0.37 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.53 1y8i h GLU 7 CO 0.00 0.44 0.63 0.87 -1.00 0.00 0.00 179.01 179.96 1y8i h LYS 8 N -0.98 0.50 0.61 2.33 1.57 -1.48 0.03 116.57 119.16 1y8i h LYS 8 Ca -0.01 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1y8i h LYS 8 Cb 0.51 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 1y8i h LYS 8 CO 0.01 0.33 -0.43 0.00 -0.57 0.00 0.00 179.45 178.79 1y8i h ALA 9 N 1.66 -1.19 -0.04 3.86 0.00 -1.61 0.10 119.26 122.04 1y8i h ALA 9 Ca 0.60 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 1y8i h ALA 9 Cb 1.29 0.58 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 1y8i h ALA 9 CO -0.36 -1.17 0.00 0.00 0.00 0.00 0.00 179.25 177.72 1y8i h ALA 10 N -1.21 1.92 0.27 0.00 0.00 -1.19 -0.95 119.26 118.10 1y8i h ALA 10 Ca -0.08 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1y8i h ALA 10 Cb 0.81 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1y8i h ALA 10 CO 0.05 0.06 -0.13 0.28 0.00 0.00 0.00 179.25 179.52 1y8i h VAL 11 N 0.06 0.00 -0.71 0.00 2.07 -0.73 -2.99 116.25 113.95 1y8i h VAL 11 Ca 0.02 -0.38 0.14 0.00 0.82 0.00 0.00 66.70 67.30 1y8i h VAL 11 Cb 0.04 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.77 1y8i h VAL 11 CO 0.00 0.00 0.48 -0.07 0.02 0.00 0.00 177.57 178.00 1y8i h LEU 12 N -0.74 0.34 0.19 2.57 4.07 -0.79 -1.40 115.31 119.56 1y8i h LEU 12 Ca -0.04 0.02 0.01 0.00 0.08 0.00 0.00 57.88 57.95 1y8i h LEU 12 Cb 0.27 -0.05 -0.02 0.00 1.08 0.00 0.00 40.66 41.94 1y8i h LEU 12 CO 0.06 0.18 -0.23 0.00 -1.08 0.00 0.00 178.44 177.37 1y8i h ALA 13 N 1.66 -0.45 -0.99 1.53 0.00 -1.23 -2.55 119.26 117.24 1y8i h ALA 13 Ca 0.35 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.22 1y8i h ALA 13 Cb 0.83 0.35 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1y8i h ALA 13 CO -0.10 -0.79 0.65 1.25 0.00 0.00 0.00 179.25 180.26 1y8i h LEU 14 N -0.47 1.11 -2.61 0.00 5.85 -1.13 -2.34 115.31 115.71 1y8i h LEU 14 Ca 0.01 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1y8i h LEU 14 Cb 0.46 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1y8i h LEU 14 CO -0.08 0.78 -0.01 -0.25 -0.34 0.00 0.00 178.44 178.54 1y8i h TRP 15 N 1.29 0.00 0.00 1.25 2.91 -0.97 -0.89 115.95 119.55 1y8i h TRP 15 Ca 0.38 0.00 -0.15 0.00 1.13 0.00 0.00 58.89 60.25 1y8i h TRP 15 Cb -0.08 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 28.55 1y8i h TRP 15 CO -0.00 0.01 -0.70 -0.44 -1.03 0.00 0.00 178.44 176.28 1y8i h ASP 16 N 0.00 0.00 -0.15 2.65 3.32 -1.12 -3.10 116.42 118.03 1y8i h ASP 16 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1y8i h ASP 16 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1y8i h ASP 16 CO 0.00 0.70 0.00 0.29 -1.72 0.00 0.00 179.24 178.51 1y8i n LYS 17 N -3.56 1.34 -3.24 3.56 5.02 -0.34 -4.90 118.16 116.03 1y8i n LYS 17 Ca -0.00 -0.53 -0.39 0.00 -2.02 0.00 0.00 58.31 55.37 1y8i n LYS 17 Cb 0.72 -1.11 -0.06 0.00 -0.02 0.00 0.00 35.03 34.56 1y8i n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y8i s VAL 18 N -1.80 4.98 -0.72 -0.18 1.01 -1.17 -5.02 120.40 117.49 1y8i s VAL 18 Ca 0.10 1.16 -0.25 0.00 0.00 0.00 0.00 61.98 63.00 1y8i s VAL 18 Cb 0.05 -3.90 0.05 0.00 0.00 0.00 0.00 36.38 32.59 1y8i s VAL 18 CO 0.07 0.41 1.14 0.21 0.00 0.00 0.00 175.10 176.92 1y8i s ASN 19 N -0.06 6.19 0.42 3.32 3.84 -1.26 -4.86 114.94 122.53 1y8i s ASN 19 Ca 0.30 -0.77 0.29 0.00 0.21 0.00 0.00 52.86 52.89 1y8i s ASN 19 Cb -0.17 -2.49 1.38 0.00 -0.55 0.00 0.00 41.25 39.41 1y8i s ASN 19 CO 0.16 -1.63 1.88 -0.33 -2.79 0.00 0.00 177.10 174.39 1y8i h GLU 20 N 9.78 0.00 -0.07 0.43 3.07 -1.97 -2.55 114.58 123.27 1y8i h GLU 20 Ca -0.26 0.00 -0.21 0.00 -0.50 0.00 0.00 59.36 58.39 1y8i h GLU 20 Cb 1.06 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.97 1y8i h GLU 20 CO 1.24 0.00 -0.82 1.49 -1.40 0.00 0.00 179.01 179.51 1y8i h GLU 21 N 0.00 0.53 0.00 2.33 4.57 -1.97 -3.38 114.58 116.65 1y8i h GLU 21 Ca 0.00 -0.47 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1y8i h GLU 21 Cb 0.25 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.95 1y8i h GLU 21 CO 0.00 1.11 0.00 0.39 -1.18 0.00 0.00 179.01 179.33 1y8i n GLU 22 N -3.84 0.00 -0.18 1.92 1.02 -0.99 -4.49 120.64 114.08 1y8i n GLU 22 Ca -0.06 0.08 0.10 0.00 -0.02 0.00 0.00 57.16 57.25 1y8i n GLU 22 Cb 0.76 -0.54 0.19 0.00 -0.02 0.00 0.00 31.44 31.83 1y8i n GLU 22 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1y8i n VAL 23 N -2.30 -0.22 0.16 2.62 0.31 -1.05 0.11 118.33 117.96 1y8i n VAL 23 Ca 0.00 1.15 -0.14 0.00 -0.01 0.00 0.00 64.34 65.33 1y8i n VAL 23 Cb 0.00 -1.71 -0.08 0.00 -0.91 0.00 0.00 33.84 31.15 1y8i n VAL 23 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1y8i h GLY 24 N 0.00 -0.36 1.66 2.92 0.00 -1.78 -1.52 103.07 103.99 1y8i h GLY 24 Ca 0.35 0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.74 1y8i h GLY 24 CO -0.48 -0.13 -0.19 -1.33 0.00 0.00 0.00 176.54 174.41 1y8i h GLY 25 N -0.35 0.44 1.95 4.60 0.00 0.60 -2.68 103.07 107.62 1y8i h GLY 25 Ca -0.03 -0.32 -0.17 0.00 0.00 0.00 0.00 47.33 46.81 1y8i h GLY 25 CO 0.05 0.29 -0.78 -2.09 0.00 0.00 0.00 176.54 174.01 1y8i h GLU 26 N 0.37 0.05 0.04 4.80 4.81 -1.09 -2.29 114.58 121.27 1y8i h GLU 26 Ca 0.06 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1y8i h GLU 26 Cb 0.54 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1y8i h GLU 26 CO 0.04 0.80 -0.02 0.00 -0.73 0.00 0.00 179.01 179.10 1y8i h ALA 27 N 1.18 -0.05 -0.60 2.92 0.00 -1.17 -1.14 119.26 120.40 1y8i h ALA 27 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1y8i h ALA 27 Cb 1.37 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1y8i h ALA 27 CO 0.11 -0.32 0.39 1.25 0.00 0.00 0.00 179.25 180.67 1y8i h LEU 28 N -0.48 0.70 -0.09 0.00 6.46 -1.54 -1.24 115.31 119.12 1y8i h LEU 28 Ca -0.01 -0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.72 1y8i h LEU 28 Cb 0.43 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 40.18 1y8i h LEU 28 CO 0.01 0.52 0.05 1.23 -0.62 0.00 0.00 178.44 179.64 1y8i h GLY 29 N 0.81 0.13 1.51 3.75 0.00 -1.40 -0.26 103.07 107.61 1y8i h GLY 29 Ca 0.22 -0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.49 1y8i h GLY 29 CO -0.05 0.05 0.30 3.21 0.00 0.00 0.00 176.54 180.06 1y8i h ARG 30 N 0.09 0.66 -0.58 4.80 3.08 -1.04 -0.94 114.38 120.45 1y8i h ARG 30 Ca 0.03 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 59.96 1y8i h ARG 30 Cb 0.03 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 1y8i h ARG 30 CO -0.01 0.45 0.06 1.25 -1.07 0.00 0.00 179.97 180.66 1y8i h LEU 31 N 0.67 0.94 -1.31 3.04 5.85 -0.64 -0.58 115.31 123.29 1y8i h LEU 31 Ca 0.18 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 1y8i h LEU 31 Cb -0.04 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 1y8i h LEU 31 CO -0.04 0.98 -0.21 -0.07 -0.34 0.00 0.00 178.44 178.76 1y8i h LEU 32 N 0.87 0.00 0.08 2.25 3.38 0.03 -2.69 115.31 119.22 1y8i h LEU 32 Ca 0.17 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.79 1y8i h LEU 32 Cb 0.46 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1y8i h LEU 32 CO 0.02 0.21 -2.00 0.52 0.09 0.00 0.00 178.44 177.28 1y8i n VAL 33 N -3.47 1.69 0.09 1.22 0.31 -0.46 -3.75 118.33 113.96 1y8i n VAL 33 Ca -0.00 -0.55 -0.07 0.00 -0.01 0.00 0.00 64.34 63.71 1y8i n VAL 33 Cb 0.39 -1.73 -0.03 0.00 -0.91 0.00 0.00 33.84 31.55 1y8i n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1y8i h VAL 34 N -0.13 1.58 -2.37 2.52 2.07 -1.20 -3.37 116.25 115.35 1y8i h VAL 34 Ca -0.45 -2.90 -0.59 0.00 0.82 0.00 0.00 66.70 63.57 1y8i h VAL 34 Cb 1.90 2.61 -0.41 0.00 -1.52 0.00 0.00 31.29 33.87 1y8i h VAL 34 CO -0.00 0.84 -0.77 -1.22 0.02 0.00 0.00 177.57 176.43 1y8i n TYR 35 N -3.55 1.88 -0.46 1.57 4.01 -1.02 -5.01 117.16 114.59 1y8i n TYR 35 Ca -0.02 -3.92 0.40 0.00 -0.16 0.00 0.00 57.90 54.20 1y8i n TYR 35 Cb 0.84 -0.40 0.73 0.00 -0.31 0.00 0.00 39.34 40.21 1y8i n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1y8i h PRO 36 N 4.62 0.05 0.00 -0.72 0.13 -1.73 -1.97 132.00 132.37 1y8i h PRO 36 Ca 0.17 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1y8i h PRO 36 Cb 0.77 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.89 1y8i h PRO 36 CO 0.65 0.03 -0.01 0.11 -0.23 0.00 0.00 178.00 178.56 1y8i h TRP 37 N 0.05 0.00 0.00 1.56 0.09 -1.92 -0.97 115.95 114.76 1y8i h TRP 37 Ca 0.72 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.70 1y8i h TRP 37 Cb 2.71 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.95 1y8i h TRP 37 CO -0.00 0.01 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1y8i n THR 38 N -3.17 0.81 0.31 0.12 -2.24 -0.74 -2.35 114.28 107.02 1y8i n THR 38 Ca -0.02 0.22 0.20 0.00 -2.27 0.00 0.00 64.05 62.17 1y8i n THR 38 Cb 0.11 -1.16 0.98 0.00 -2.10 0.00 0.00 70.33 68.16 1y8i n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1y8i h GLN 39 N 0.00 0.00 -0.05 -0.78 4.20 -1.39 -2.89 115.11 114.20 1y8i h GLN 39 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 1y8i h GLN 39 Cb 0.38 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.16 1y8i h GLN 39 CO 0.00 0.01 0.06 -0.09 -0.67 0.00 0.00 178.83 178.14 1y8i h ARG 40 N 0.00 0.00 -0.01 1.46 2.43 -1.67 -1.19 114.38 115.41 1y8i h ARG 40 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1y8i h ARG 40 Cb 0.22 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.77 1y8i h ARG 40 CO 0.00 0.00 -0.39 1.19 -1.51 0.00 0.00 179.97 179.26 1y8i n PHE 41 N -3.83 0.00 -2.01 2.20 3.01 -1.09 -4.35 117.46 111.40 1y8i n PHE 41 Ca -0.02 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.30 1y8i n PHE 41 Cb 0.15 -0.09 0.07 0.00 -0.01 0.00 0.00 39.48 39.59 1y8i n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1y8i n PHE 42 N -0.62 1.90 -0.17 1.38 3.72 -0.45 -4.84 117.46 118.39 1y8i n PHE 42 Ca 0.10 -1.99 -0.08 0.00 -0.05 0.00 0.00 57.45 55.43 1y8i n PHE 42 Cb 0.38 -0.30 0.01 0.00 -0.94 0.00 0.00 39.48 38.63 1y8i n PHE 42 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1y8i h ASP 43 N 1.91 0.62 0.00 4.37 3.32 -1.75 -2.53 116.42 122.36 1y8i h ASP 43 Ca 0.22 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1y8i h ASP 43 Cb 1.40 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1y8i h ASP 43 CO 0.51 0.54 0.00 -1.54 -1.72 0.00 0.00 179.24 177.03 1y8i n SER 44 N -4.65 0.00 0.04 6.45 3.41 -1.26 -1.77 113.62 115.84 1y8i n SER 44 Ca 0.02 0.01 0.13 0.00 -0.26 0.00 0.00 58.87 58.77 1y8i n SER 44 Cb 0.09 -0.04 0.41 0.00 -0.26 0.00 0.00 64.21 64.40 1y8i n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1y8i n PHE 45 N -1.04 0.39 -0.00 7.33 3.01 -0.95 -5.04 117.46 121.16 1y8i n PHE 45 Ca 0.01 0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.58 1y8i n PHE 45 Cb 0.00 -0.63 0.00 0.00 -0.01 0.00 0.00 39.48 38.85 1y8i n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y8i n GLY 46 N 1.41 1.08 3.66 1.37 0.00 -0.73 -4.83 105.19 107.16 1y8i n GLY 46 Ca 0.06 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.08 1y8i n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y8i s ASP 47 N -4.00 6.76 -0.02 1.61 2.15 -1.26 -4.84 116.67 117.07 1y8i s ASP 47 Ca 0.00 2.06 0.03 0.00 0.43 0.00 0.00 52.55 55.07 1y8i s ASP 47 Cb 0.00 -2.54 0.04 0.00 -0.30 0.00 0.00 42.92 40.12 1y8i s ASP 47 CO 0.00 -0.86 0.97 0.18 -0.17 0.00 0.00 175.17 175.29 1y8i n LEU 48 N 6.88 0.35 -0.00 -1.34 4.77 -1.26 -4.35 117.00 122.04 1y8i n LEU 48 Ca 0.16 -1.20 0.12 0.00 -0.03 0.00 0.00 56.01 55.06 1y8i n LEU 48 Cb 0.43 -0.06 0.55 0.00 -2.33 0.00 0.00 43.42 42.02 1y8i n LEU 48 CO 0.60 0.29 1.17 0.77 -1.33 0.00 0.00 177.39 178.89 1y8i h SER 49 N 0.00 0.25 -5.12 -1.43 4.64 -1.95 -3.45 113.55 106.49 1y8i h SER 49 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 1y8i h SER 49 Cb 1.29 -0.05 -0.15 0.00 -0.31 0.00 0.00 62.40 63.18 1y8i h SER 49 CO 0.00 0.16 -0.38 0.54 -0.87 0.00 0.00 176.83 176.28 1y8i s ASN 50 N -6.42 0.08 0.46 4.97 2.20 -1.26 -5.04 114.94 109.94 1y8i s ASN 50 Ca -0.07 -0.53 0.27 0.00 -0.94 0.00 0.00 52.86 51.60 1y8i s ASN 50 Cb 0.19 0.32 1.32 0.00 -2.00 0.00 0.00 41.25 41.08 1y8i s ASN 50 CO 0.73 -0.66 1.78 1.55 -2.94 0.00 0.00 177.10 177.56 1y8i h PRO 51 N 3.04 0.19 -0.66 3.55 0.13 -1.99 -0.13 132.00 136.13 1y8i h PRO 51 Ca -0.33 -0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.70 1y8i h PRO 51 Cb 1.20 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1y8i h PRO 51 CO 0.53 0.13 0.08 0.78 -0.23 0.00 0.00 178.00 179.29 1y8i h GLY 52 N 0.20 1.20 1.41 1.56 0.00 -1.97 -2.58 103.07 102.89 1y8i h GLY 52 Ca 0.59 -0.82 -0.20 0.00 0.00 0.00 0.00 47.33 46.90 1y8i h GLY 52 CO -0.18 0.76 -0.75 0.00 0.00 0.00 0.00 176.54 176.37 1y8i h ALA 53 N 1.04 0.47 0.20 3.60 0.00 -1.37 -3.04 119.26 120.16 1y8i h ALA 53 Ca 0.20 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1y8i h ALA 53 Cb 0.48 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1y8i h ALA 53 CO 0.02 0.73 -0.10 0.28 0.00 0.00 0.00 179.25 180.18 1y8i h VAL 54 N 0.40 0.90 0.00 0.00 2.07 -1.39 0.21 116.25 118.43 1y8i h VAL 54 Ca -0.04 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1y8i h VAL 54 Cb 1.35 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1y8i h VAL 54 CO 0.14 0.15 0.00 0.23 0.02 0.00 0.00 177.57 178.11 1y8i n MET 55 N -5.06 0.16 -0.06 1.57 2.81 -0.98 -2.08 117.12 113.49 1y8i n MET 55 Ca -0.09 0.51 -0.04 0.00 -1.81 0.00 0.00 57.70 56.28 1y8i n MET 55 Cb 0.24 -1.90 -0.15 0.00 -0.71 0.00 0.00 33.22 30.70 1y8i n MET 55 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1y8i n GLY 56 N -0.58 -1.02 3.58 3.03 0.00 -1.11 -4.97 105.19 104.12 1y8i n GLY 56 Ca 0.01 -0.35 -0.50 0.00 0.00 0.00 0.00 46.02 45.18 1y8i n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y8i n ASN 57 N -2.65 1.46 -0.01 1.61 2.85 0.71 -4.90 115.26 114.33 1y8i n ASN 57 Ca -0.22 1.14 -0.09 0.00 -0.11 0.00 0.00 54.58 55.29 1y8i n ASN 57 Cb 0.97 -1.21 0.06 0.00 1.24 0.00 0.00 39.78 40.84 1y8i n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1y8i h PRO 58 N 3.73 0.59 0.00 1.20 0.11 -1.89 -3.16 132.00 132.58 1y8i h PRO 58 Ca -0.44 -0.35 -0.03 0.00 0.11 0.00 0.00 66.00 65.28 1y8i h PRO 58 Cb 1.34 0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.48 1y8i h PRO 58 CO 0.72 0.96 -0.15 0.87 -0.21 0.00 0.00 178.00 180.19 1y8i h LYS 59 N 0.47 0.00 -0.03 1.05 1.57 -1.90 -2.25 116.57 115.47 1y8i h LYS 59 Ca 0.02 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.61 1y8i h LYS 59 Cb 1.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1y8i h LYS 59 CO 0.10 0.15 -0.80 0.28 -0.57 0.00 0.00 179.45 178.61 1y8i h VAL 60 N 0.00 1.43 0.07 0.50 2.07 -1.87 -0.54 116.25 117.92 1y8i h VAL 60 Ca -0.00 -2.36 -0.21 0.00 0.82 0.00 0.00 66.70 64.95 1y8i h VAL 60 Cb 0.77 2.28 0.02 0.00 -1.52 0.00 0.00 31.29 32.84 1y8i h VAL 60 CO 0.02 0.70 -0.86 0.11 0.02 0.00 0.00 177.57 177.55 1y8i h LYS 61 N 0.18 0.46 0.62 1.57 1.57 -1.58 -0.30 116.57 119.09 1y8i h LYS 61 Ca -0.04 -0.59 -0.03 0.00 -1.87 0.00 0.00 60.65 58.12 1y8i h LYS 61 Cb 1.40 0.19 0.01 0.00 0.08 0.00 0.00 32.23 33.90 1y8i h LYS 61 CO 0.13 1.23 -0.30 0.00 -0.57 0.00 0.00 179.45 179.94 1y8i h ALA 62 N 0.25 -0.84 -0.16 3.86 0.00 -1.42 0.15 119.26 121.10 1y8i h ALA 62 Ca -0.13 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 1y8i h ALA 62 Cb 1.59 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 1y8i h ALA 62 CO 0.17 -0.97 -0.22 1.25 0.00 0.00 0.00 179.25 179.48 1y8i h HIS 63 N -0.84 0.31 -0.90 0.00 -0.00 -1.21 -2.62 115.15 109.89 1y8i h HIS 63 Ca -0.08 -0.05 0.01 0.00 -0.00 0.00 0.00 60.37 60.25 1y8i h HIS 63 Cb 0.65 -0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 27.93 1y8i h HIS 63 CO -0.04 0.49 0.59 0.78 -0.00 0.00 0.00 177.93 179.75 1y8i h GLY 64 N 0.93 1.27 1.47 5.26 0.00 -0.58 -1.70 103.07 109.72 1y8i h GLY 64 Ca 0.04 -0.46 -0.09 0.00 0.00 0.00 0.00 47.33 46.82 1y8i h GLY 64 CO 0.04 0.44 -0.15 1.70 0.00 0.00 0.00 176.54 178.57 1y8i h LYS 65 N 1.20 0.63 -0.44 4.80 3.64 -0.59 -0.43 116.57 125.37 1y8i h LYS 65 Ca 0.33 -0.21 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1y8i h LYS 65 Cb -0.11 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 1y8i h LYS 65 CO -0.08 0.75 0.10 0.87 -2.27 0.00 0.00 179.45 178.82 1y8i h LYS 66 N 0.57 0.70 0.02 1.90 1.57 -1.27 -0.75 116.57 119.31 1y8i h LYS 66 Ca 0.10 -0.17 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1y8i h LYS 66 Cb 0.58 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1y8i h LYS 66 CO 0.04 0.71 -0.01 0.28 -0.57 0.00 0.00 179.45 179.90 1y8i h VAL 67 N 0.57 1.09 0.00 0.50 2.07 -1.02 -1.57 116.25 117.89 1y8i h VAL 67 Ca 0.14 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1y8i h VAL 67 Cb 0.33 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1y8i h VAL 67 CO 0.00 0.08 -0.01 0.25 0.02 0.00 0.00 177.57 177.91 1y8i h LEU 68 N -0.15 0.00 0.00 2.57 7.12 -1.00 -2.45 115.31 121.39 1y8i h LEU 68 Ca -0.00 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.99 1y8i h LEU 68 Cb 0.14 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.28 1y8i h LEU 68 CO 0.00 0.01 -0.06 -0.74 -0.13 0.00 0.00 178.44 177.52 1y8i h HIS 69 N 0.00 0.06 0.00 1.25 2.76 -0.20 -3.07 115.15 115.95 1y8i h HIS 69 Ca -0.00 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.14 1y8i h HIS 69 Cb 0.15 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 29.10 1y8i h HIS 69 CO 0.00 0.85 0.00 -1.13 -1.30 0.00 0.00 177.93 176.35 1y8i n SER 70 N -4.65 0.00 0.10 3.26 3.41 -0.72 -1.44 113.62 113.58 1y8i n SER 70 Ca -0.10 0.41 -0.17 0.00 -0.26 0.00 0.00 58.87 58.76 1y8i n SER 70 Cb 0.42 -0.45 -0.14 0.00 -0.26 0.00 0.00 64.21 63.78 1y8i n SER 70 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1y8i h PHE 71 N 0.00 0.52 -0.59 7.33 0.04 -1.42 -3.08 116.94 119.73 1y8i h PHE 71 Ca 0.00 -0.38 -0.08 0.00 2.80 0.00 0.00 57.97 60.31 1y8i h PHE 71 Cb 0.20 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 1y8i h PHE 71 CO 0.00 1.33 0.06 0.78 -0.60 0.00 0.00 178.31 179.88 1y8i h GLY 72 N 1.53 1.08 2.00 -1.45 0.00 -1.15 0.10 103.07 105.18 1y8i h GLY 72 Ca -0.17 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.41 1y8i h GLY 72 CO 0.20 0.69 0.00 0.83 0.00 0.00 0.00 176.54 178.26 1y8i h GLU 73 N 0.90 0.00 0.22 4.80 4.39 -1.52 0.37 114.58 123.73 1y8i h GLU 73 Ca 0.17 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.53 1y8i h GLU 73 Cb 0.47 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1y8i h GLU 73 CO 0.02 0.00 -1.63 0.78 -1.16 0.00 0.00 179.01 177.02 1y8i h GLY 74 N 0.19 0.52 2.00 -3.84 0.00 -0.77 -2.62 103.07 98.55 1y8i h GLY 74 Ca 0.00 -1.33 -0.01 0.00 0.00 0.00 0.00 47.33 45.99 1y8i h GLY 74 CO 0.00 1.17 -0.03 -2.08 0.00 0.00 0.00 176.54 175.59 1y8i h VAL 75 N 0.12 0.19 0.02 4.60 2.07 0.56 -3.17 116.25 120.65 1y8i h VAL 75 Ca -0.30 -0.28 -0.39 0.00 0.82 0.00 0.00 66.70 66.54 1y8i h VAL 75 Cb 2.13 1.23 -0.06 0.00 -1.52 0.00 0.00 31.29 33.07 1y8i h VAL 75 CO 0.22 0.03 -2.29 1.41 0.02 0.00 0.00 177.57 176.97 1y8i n HIS 76 N -3.28 0.31 -1.38 1.57 -0.00 -0.82 -4.45 115.22 107.17 1y8i n HIS 76 Ca -0.02 0.09 -0.25 0.00 -0.00 0.00 0.00 57.72 57.54 1y8i n HIS 76 Cb 0.18 -1.04 -0.04 0.00 -0.00 0.00 0.00 29.99 29.09 1y8i n HIS 76 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1y8i n HIS 77 N -3.78 1.61 0.19 4.41 8.25 -0.99 -4.62 115.22 120.30 1y8i n HIS 77 Ca -0.45 -1.96 0.05 0.00 -0.26 0.00 0.00 57.72 55.10 1y8i n HIS 77 Cb 0.93 -1.31 0.52 0.00 1.12 0.00 0.00 29.99 31.24 1y8i n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1y8i h LEU 78 N 3.65 0.08 -5.19 2.41 3.38 -1.76 -2.79 115.31 115.09 1y8i h LEU 78 Ca 0.38 -0.01 -0.74 0.00 0.09 0.00 0.00 57.88 57.60 1y8i h LEU 78 Cb 0.76 -0.02 -0.31 0.00 0.09 0.00 0.00 40.66 41.18 1y8i h LEU 78 CO 0.87 0.18 0.64 -0.90 0.09 0.00 0.00 178.44 179.31 1y8i n ASP 79 N -4.39 6.81 0.00 -0.43 5.68 -1.26 -3.66 116.55 119.30 1y8i n ASP 79 Ca -0.02 -3.78 0.00 0.00 -0.50 0.00 0.00 54.79 50.49 1y8i n ASP 79 Cb 0.19 -0.95 0.00 0.00 -1.14 0.00 0.00 41.12 39.21 1y8i n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1y8i n ASN 80 N -0.41 0.00 0.12 -1.12 2.85 -1.06 -4.99 115.26 110.65 1y8i n ASN 80 Ca 0.48 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.72 1y8i n ASN 80 Cb 0.32 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.19 1y8i n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1y8i h LEU 81 N 0.00 0.74 -1.78 1.20 3.38 -1.74 -3.15 115.31 113.96 1y8i h LEU 81 Ca 0.00 -0.93 0.22 0.00 0.09 0.00 0.00 57.88 57.26 1y8i h LEU 81 Cb 0.00 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 1y8i h LEU 81 CO 0.00 1.63 0.58 0.11 0.09 0.00 0.00 178.44 180.85 1y8i h LYS 82 N -0.00 0.18 0.01 1.13 1.57 -1.91 -2.24 116.57 115.31 1y8i h LYS 82 Ca -0.23 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 1y8i h LYS 82 Cb 2.02 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.30 1y8i h LYS 82 CO 0.24 0.12 -0.07 0.78 -0.57 0.00 0.00 179.45 179.95 1y8i h GLY 83 N 0.18 0.03 0.50 3.86 0.00 -1.97 -3.15 103.07 102.53 1y8i h GLY 83 Ca 0.42 -0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.74 1y8i h GLY 83 CO -0.08 0.07 0.10 -0.84 0.00 0.00 0.00 176.54 175.78 1y8i h THR 84 N -0.94 0.79 -0.51 4.70 2.02 -1.38 -2.70 112.91 114.90 1y8i h THR 84 Ca -0.01 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.09 1y8i h THR 84 Cb 1.05 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 1y8i h THR 84 CO 0.01 0.04 0.00 0.49 0.37 0.00 0.00 175.52 176.44 1y8i n PHE 85 N -5.08 0.81 -0.36 3.16 3.01 -0.93 -4.49 117.46 113.57 1y8i n PHE 85 Ca 0.03 -0.37 0.05 0.00 1.01 0.00 0.00 57.45 58.16 1y8i n PHE 85 Cb 0.19 -0.05 0.21 0.00 -0.01 0.00 0.00 39.48 39.81 1y8i n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y8i h ALA 86 N 3.89 1.47 -0.03 4.37 0.00 -1.43 -0.63 119.26 126.90 1y8i h ALA 86 Ca 0.00 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 1y8i h ALA 86 Cb 0.82 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1y8i h ALA 86 CO 0.05 0.34 -0.59 0.00 0.00 0.00 0.00 179.25 179.06 1y8i h ALA 87 N 1.50 0.11 0.00 0.00 0.00 -1.81 -3.08 119.26 115.98 1y8i h ALA 87 Ca 0.46 -0.55 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1y8i h ALA 87 Cb 0.31 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1y8i h ALA 87 CO -0.21 0.37 -0.11 -0.07 0.00 0.00 0.00 179.25 179.23 1y8i h LEU 88 N -0.02 0.00 0.46 0.00 3.38 -1.81 -2.72 115.31 114.61 1y8i h LEU 88 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1y8i h LEU 88 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.03 1y8i h LEU 88 CO 0.12 0.11 -0.22 -1.28 0.09 0.00 0.00 178.44 177.25 1y8i h SER 89 N 0.00 -0.52 0.33 -0.43 0.87 -1.04 -1.06 113.55 111.70 1y8i h SER 89 Ca -0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1y8i h SER 89 Cb 0.25 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1y8i h SER 89 CO 0.01 -0.26 0.00 -1.84 -0.53 0.00 0.00 176.83 174.21 1y8i n GLU 90 N -5.30 0.03 -0.07 2.24 0.28 -1.07 -1.07 120.64 115.68 1y8i n GLU 90 Ca -0.11 0.29 -0.11 0.00 -0.16 0.00 0.00 57.16 57.07 1y8i n GLU 90 Cb 0.29 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.58 1y8i n GLU 90 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1y8i h LEU 91 N 0.00 0.00 -1.16 -1.84 5.85 -1.12 -2.06 115.31 114.98 1y8i h LEU 91 Ca 0.00 -0.51 -0.02 0.00 0.84 0.00 0.00 57.88 58.19 1y8i h LEU 91 Cb 0.17 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.19 1y8i h LEU 91 CO 0.00 0.94 -0.10 0.45 -0.34 0.00 0.00 178.44 179.39 1y8i h HIS 92 N -1.00 0.00 0.00 1.25 3.86 -0.98 -2.41 115.15 115.87 1y8i h HIS 92 Ca -0.07 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.10 1y8i h HIS 92 Cb 0.74 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 1y8i h HIS 92 CO 0.11 0.10 -0.46 0.00 0.86 0.00 0.00 177.93 178.53 1y8i h ASP 94 N -1.00 0.00 0.00 0.00 5.19 -1.48 -3.21 116.42 115.92 1y8i h ASP 94 Ca -0.05 -0.61 0.00 0.00 -0.62 0.00 0.00 57.03 55.74 1y8i h ASP 94 Cb 0.53 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.04 1y8i h ASP 94 CO -0.03 0.62 -0.01 0.11 -3.12 0.00 0.00 179.24 176.80 1y8i h LYS 95 N -0.61 0.00 -0.49 3.56 1.57 -1.55 -3.41 116.57 115.63 1y8i h LYS 95 Ca -0.00 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1y8i h LYS 95 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 1y8i h LYS 95 CO 0.00 0.00 0.19 -0.07 -0.57 0.00 0.00 179.45 179.00 1y8i h LEU 96 N -0.22 0.69 -1.30 2.94 3.38 -1.60 -3.48 115.31 115.71 1y8i h LEU 96 Ca 0.00 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.63 1y8i h LEU 96 Cb 0.01 -0.18 0.07 0.00 0.09 0.00 0.00 40.66 40.65 1y8i h LEU 96 CO 0.00 0.68 -0.32 1.41 0.09 0.00 0.00 178.44 180.30 1y8i n HIS 97 N -4.55 -1.15 -2.97 1.13 8.25 -0.11 -5.00 115.22 110.82 1y8i n HIS 97 Ca 0.02 0.44 -0.40 0.00 -0.26 0.00 0.00 57.72 57.51 1y8i n HIS 97 Cb 0.16 -3.02 -0.05 0.00 1.12 0.00 0.00 29.99 28.21 1y8i n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1y8i s VAL 98 N -3.15 4.75 0.16 1.59 1.01 -0.19 -5.02 120.40 119.55 1y8i s VAL 98 Ca 0.16 1.65 -0.30 0.00 0.00 0.00 0.00 61.98 63.49 1y8i s VAL 98 Cb -0.07 -4.13 -0.08 0.00 0.00 0.00 0.00 36.38 32.11 1y8i s VAL 98 CO 0.32 0.35 1.27 -0.62 0.00 0.00 0.00 175.10 176.42 1y8i s ASP 99 N 0.04 6.97 0.33 3.32 2.15 -1.26 -4.79 116.67 123.43 1y8i s ASP 99 Ca 0.39 2.28 0.12 0.00 0.43 0.00 0.00 52.55 55.77 1y8i s ASP 99 Cb -0.20 -2.60 1.02 0.00 -0.30 0.00 0.00 42.92 40.84 1y8i s ASP 99 CO 0.23 -0.50 1.66 -0.65 -0.17 0.00 0.00 175.17 175.74 1y8i h PRO 100 N 5.81 0.28 -0.46 4.34 0.11 -1.97 -0.30 132.00 139.82 1y8i h PRO 100 Ca -0.44 -0.02 0.13 0.00 0.11 0.00 0.00 66.00 65.79 1y8i h PRO 100 Cb 1.21 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1y8i h PRO 100 CO 0.79 0.19 0.36 1.49 -0.21 0.00 0.00 178.00 180.61 1y8i h GLU 101 N 0.29 0.00 0.00 1.05 4.57 -1.99 -0.91 114.58 117.60 1y8i h GLU 101 Ca 0.70 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.82 1y8i h GLU 101 Cb 1.58 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.16 1y8i h GLU 101 CO -0.62 0.00 -0.31 -0.91 -1.18 0.00 0.00 179.01 175.99 1y8i h ASN 102 N 0.00 0.00 0.48 1.04 2.35 -1.42 -2.68 115.58 115.35 1y8i h ASN 102 Ca 0.22 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.89 1y8i h ASN 102 Cb 0.93 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 1y8i h ASN 102 CO -0.00 0.31 -0.39 -0.26 -1.65 0.00 0.00 177.43 175.44 1y8i h PHE 103 N 0.00 0.00 -0.18 1.19 0.04 -1.30 -2.31 116.94 114.38 1y8i h PHE 103 Ca -0.00 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.56 1y8i h PHE 103 Cb 0.80 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.95 1y8i h PHE 103 CO 0.00 0.39 -0.71 -0.09 -0.60 0.00 0.00 178.31 177.30 1y8i h ARG 104 N 0.00 0.75 -0.34 1.51 2.43 -1.56 -2.46 114.38 114.71 1y8i h ARG 104 Ca -0.00 -0.57 -0.12 0.00 -0.81 0.00 0.00 59.98 58.48 1y8i h ARG 104 Cb 0.73 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1y8i h ARG 104 CO 0.05 1.18 -0.29 -0.07 -1.51 0.00 0.00 179.97 179.34 1y8i h LEU 105 N 0.53 0.72 -0.62 3.80 3.38 -1.29 -1.94 115.31 119.89 1y8i h LEU 105 Ca -0.03 -0.28 -0.15 0.00 0.09 0.00 0.00 57.88 57.51 1y8i h LEU 105 Cb 1.32 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1y8i h LEU 105 CO 0.14 0.97 -0.56 0.25 0.09 0.00 0.00 178.44 179.34 1y8i h LEU 106 N 0.60 0.44 -0.62 1.67 5.85 -1.44 -2.36 115.31 119.45 1y8i h LEU 106 Ca 0.07 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.51 1y8i h LEU 106 Cb 0.79 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 1y8i h LEU 106 CO 0.07 0.90 0.20 1.23 -0.34 0.00 0.00 178.44 180.50 1y8i h GLY 107 N 1.25 1.03 1.36 3.75 0.00 -1.21 -1.09 103.07 108.16 1y8i h GLY 107 Ca 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 47.33 46.60 1y8i h GLY 107 CO 0.10 0.56 -0.31 3.43 0.00 0.00 0.00 176.54 180.32 1y8i h ASN 108 N 0.88 0.74 -0.01 0.19 2.35 -1.23 -1.76 115.58 116.75 1y8i h ASN 108 Ca 0.20 -0.30 -0.15 0.00 -0.55 0.00 0.00 56.30 55.50 1y8i h ASN 108 Cb 0.28 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 1y8i h ASN 108 CO -0.01 1.00 -0.50 -0.37 -1.65 0.00 0.00 177.43 175.90 1y8i h VAL 109 N 0.61 1.31 -0.66 2.81 -1.51 -1.28 -1.13 116.25 116.39 1y8i h VAL 109 Ca 0.07 -1.72 0.07 0.00 -1.23 0.00 0.00 66.70 63.89 1y8i h VAL 109 Cb 0.82 1.69 -0.06 0.00 -2.13 0.00 0.00 31.29 31.62 1y8i h VAL 109 CO 0.07 0.54 0.35 0.25 -1.23 0.00 0.00 177.57 177.55 1y8i h LEU 110 N 0.45 0.50 -0.02 4.19 6.46 -0.95 0.27 115.31 126.21 1y8i h LEU 110 Ca 0.02 0.04 0.01 0.00 -0.12 0.00 0.00 57.88 57.83 1y8i h LEU 110 Cb 1.03 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.91 1y8i h LEU 110 CO 0.10 0.31 -0.01 0.58 -0.62 0.00 0.00 178.44 178.79 1y8i h VAL 111 N 0.63 0.96 -0.96 1.05 2.07 -0.80 -0.81 116.25 118.39 1y8i h VAL 111 Ca 0.31 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.86 1y8i h VAL 111 Cb 0.24 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 1y8i h VAL 111 CO -0.21 0.00 0.63 0.58 0.02 0.00 0.00 177.57 178.59 1y8i h VAL 112 N -0.02 1.17 -0.63 2.57 2.07 -0.14 -0.02 116.25 121.25 1y8i h VAL 112 Ca 0.01 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 1y8i h VAL 112 Cb 0.03 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.62 1y8i h VAL 112 CO -0.03 0.22 0.13 0.58 0.02 0.00 0.00 177.57 178.49 1y8i h VAL 113 N 1.22 1.26 -0.84 2.57 2.07 -0.23 -0.82 116.25 121.49 1y8i h VAL 113 Ca 0.38 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1y8i h VAL 113 Cb -0.01 0.67 -0.04 0.00 -1.52 0.00 0.00 31.29 30.39 1y8i h VAL 113 CO -0.12 0.37 0.48 -0.07 0.02 0.00 0.00 177.57 178.24 1y8i h LEU 114 N 0.95 1.03 -0.69 2.57 3.38 -0.41 -1.77 115.31 120.38 1y8i h LEU 114 Ca 0.20 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1y8i h LEU 114 Cb 0.40 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1y8i h LEU 114 CO 0.01 0.82 0.35 0.00 0.09 0.00 0.00 178.44 179.70 1y8i h ALA 115 N 1.36 0.88 -0.07 1.53 0.00 -0.30 -1.15 119.26 121.51 1y8i h ALA 115 Ca 0.30 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 1y8i h ALA 115 Cb -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1y8i h ALA 115 CO -0.05 0.43 -0.33 -0.09 0.00 0.00 0.00 179.25 179.21 1y8i h ARG 116 N 0.95 0.13 0.15 0.00 2.43 -0.73 -2.30 114.38 115.01 1y8i h ARG 116 Ca 0.24 -0.05 -0.28 0.00 -0.81 0.00 0.00 59.98 59.07 1y8i h ARG 116 Cb 0.09 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1y8i h ARG 116 CO -0.03 0.45 -1.28 0.45 -1.51 0.00 0.00 179.97 178.05 1y8i h HIS 117 N 0.12 0.58 -0.02 2.20 3.86 -0.71 -3.37 115.15 117.81 1y8i h HIS 117 Ca 0.01 -0.42 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 1y8i h HIS 117 Cb 0.65 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.09 1y8i h HIS 117 CO 0.01 1.33 -0.01 1.19 0.86 0.00 0.00 177.93 181.30 1y8i n PHE 118 N -3.57 0.00 0.00 2.45 3.72 -0.49 -5.06 117.46 114.52 1y8i n PHE 118 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 1y8i n PHE 118 Cb 1.04 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.58 1y8i n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1y8i n GLY 119 N 0.87 3.30 0.28 1.37 0.00 -0.87 -2.15 105.19 107.99 1y8i n GLY 119 Ca 0.09 0.02 0.18 0.00 0.00 0.00 0.00 46.02 46.31 1y8i n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y8i h LYS 120 N 0.00 0.00 0.00 1.61 1.57 -1.97 -2.16 116.57 115.62 1y8i h LYS 120 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1y8i h LYS 120 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1y8i h LYS 120 CO 0.00 0.00 -0.05 -0.44 -0.57 0.00 0.00 179.45 178.39 1y8i h ASP 121 N 0.00 0.00 -1.96 0.86 3.32 -1.84 -3.30 116.42 113.50 1y8i h ASP 121 Ca 0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.35 1y8i h ASP 121 Cb 0.42 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 39.82 1y8i h ASP 121 CO 0.00 0.05 1.30 0.12 -1.72 0.00 0.00 179.24 179.00 1y8i s PHE 122 N -3.81 3.16 0.52 4.55 5.36 -0.81 -4.94 117.98 122.01 1y8i s PHE 122 Ca -0.00 -1.66 -0.08 0.00 -0.96 0.00 0.00 56.93 54.23 1y8i s PHE 122 Cb 0.10 -4.41 -0.04 0.00 -0.34 0.00 0.00 43.02 38.34 1y8i s PHE 122 CO 0.54 -1.54 0.87 0.95 -1.46 0.00 0.00 175.22 174.58 1y8i s THR 123 N 2.70 4.83 0.40 0.12 -4.23 -1.24 -4.82 115.64 113.40 1y8i s THR 123 Ca 0.41 0.46 0.15 0.00 -1.18 0.00 0.00 61.69 61.54 1y8i s THR 123 Cb -0.02 -3.86 0.36 0.00 1.34 0.00 0.00 72.50 70.32 1y8i s THR 123 CO -0.03 -0.93 1.86 1.55 -0.54 0.00 0.00 174.62 176.53 1y8i h PRO 124 N 0.12 0.46 0.14 3.99 0.13 -1.94 0.76 132.00 135.65 1y8i h PRO 124 Ca -0.46 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 1y8i h PRO 124 Cb 1.20 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1y8i h PRO 124 CO 0.62 0.30 -0.07 0.93 -0.23 0.00 0.00 178.00 179.55 1y8i h GLU 125 N 0.47 -0.18 -0.79 0.86 3.07 -1.99 0.37 114.58 116.39 1y8i h GLU 125 Ca 0.46 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.35 1y8i h GLU 125 Cb 1.06 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.97 1y8i h GLU 125 CO -0.19 0.08 0.52 1.25 -1.40 0.00 0.00 179.01 179.27 1y8i h LEU 126 N -0.42 0.89 -0.68 1.33 6.46 -1.42 -0.63 115.31 120.85 1y8i h LEU 126 Ca -0.02 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1y8i h LEU 126 Cb 0.34 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 1y8i h LEU 126 CO 0.03 0.64 0.34 -0.61 -0.62 0.00 0.00 178.44 178.21 1y8i h GLN 127 N 1.05 0.97 -0.55 1.25 4.15 0.66 -1.36 115.11 121.28 1y8i h GLN 127 Ca 0.30 -0.14 0.04 0.00 0.77 0.00 0.00 58.65 59.62 1y8i h GLN 127 Cb -0.09 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.38 1y8i h GLN 127 CO -0.07 0.76 0.31 0.00 -1.93 0.00 0.00 178.83 177.89 1y8i h ALA 128 N 1.16 0.72 -0.41 3.38 0.00 0.63 -0.43 119.26 124.31 1y8i h ALA 128 Ca 0.23 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1y8i h ALA 128 Cb 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1y8i h ALA 128 CO -0.03 -0.01 0.25 0.77 0.00 0.00 0.00 179.25 180.23 1y8i h SER 129 N 0.60 0.42 0.37 0.00 0.02 -0.60 -2.24 113.55 112.11 1y8i h SER 129 Ca 0.24 -0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1y8i h SER 129 Cb 0.10 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1y8i h SER 129 CO -0.14 0.30 -0.19 1.88 -1.14 0.00 0.00 176.83 177.54 1y8i h TYR 130 N 0.51 0.00 0.00 3.45 0.05 -0.64 -1.60 116.97 118.74 1y8i h TYR 130 Ca 0.16 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.86 1y8i h TYR 130 Cb -0.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.71 1y8i h TYR 130 CO -0.06 0.19 -0.34 1.96 -1.05 0.00 0.00 178.16 178.86 1y8i h GLN 131 N 0.00 0.00 0.06 4.88 1.08 -0.48 0.17 115.11 120.82 1y8i h GLN 131 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1y8i h GLN 131 Cb 0.43 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 1y8i h GLN 131 CO 0.02 0.34 -0.03 0.87 -0.95 0.00 0.00 178.83 179.09 1y8i h LYS 132 N 0.00 -0.07 -0.56 1.46 1.57 -1.12 -0.77 116.57 117.08 1y8i h LYS 132 Ca -0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1y8i h LYS 132 Cb 0.62 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.92 1y8i h LYS 132 CO 0.04 0.35 0.37 0.28 -0.57 0.00 0.00 179.45 179.92 1y8i h VAL 133 N -0.51 1.15 -0.50 0.50 2.07 -1.19 -0.79 116.25 116.97 1y8i h VAL 133 Ca -0.01 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1y8i h VAL 133 Cb 0.45 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1y8i h VAL 133 CO 0.01 0.14 0.32 0.58 0.02 0.00 0.00 177.57 178.64 1y8i h VAL 134 N 0.76 1.14 -0.35 2.57 2.07 -0.67 -2.21 116.25 119.55 1y8i h VAL 134 Ca 0.21 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 1y8i h VAL 134 Cb -0.09 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.10 1y8i h VAL 134 CO -0.04 0.14 0.17 0.00 0.02 0.00 0.00 177.57 177.85 1y8i h ALA 135 N 1.17 0.46 -0.21 1.67 0.00 -0.71 -2.53 119.26 119.10 1y8i h ALA 135 Ca 0.18 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1y8i h ALA 135 Cb -0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1y8i h ALA 135 CO -0.04 0.01 0.12 0.78 0.00 0.00 0.00 179.25 180.13 1y8i h GLY 136 N 0.43 0.31 0.69 0.00 0.00 -1.00 -1.32 103.07 102.18 1y8i h GLY 136 Ca 0.12 -0.13 0.05 0.00 0.00 0.00 0.00 47.33 47.36 1y8i h GLY 136 CO -0.02 0.13 0.22 -2.08 0.00 0.00 0.00 176.54 174.79 1y8i h VAL 137 N 0.25 0.93 -0.42 4.60 2.07 -1.39 -0.04 116.25 122.25 1y8i h VAL 137 Ca 0.07 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1y8i h VAL 137 Cb 0.04 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 1y8i h VAL 137 CO -0.01 0.08 0.22 0.00 0.02 0.00 0.00 177.57 177.88 1y8i h ALA 138 N 1.27 0.52 -0.65 1.67 0.00 -1.29 -2.36 119.26 118.43 1y8i h ALA 138 Ca 0.21 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 1y8i h ALA 138 Cb 0.15 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1y8i h ALA 138 CO -0.17 -0.12 0.24 -0.91 0.00 0.00 0.00 179.25 178.28 1y8i h ASN 139 N 0.45 0.89 -0.62 0.00 2.35 -0.51 -2.96 115.58 115.17 1y8i h ASN 139 Ca 0.17 -0.13 -0.05 0.00 -0.55 0.00 0.00 56.30 55.75 1y8i h ASN 139 Cb 0.06 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 1y8i h ASN 139 CO -0.11 0.81 0.21 0.00 -1.65 0.00 0.00 177.43 176.69 1y8i h ALA 140 N 1.32 0.81 0.00 -0.83 0.00 -0.62 -2.36 119.26 117.58 1y8i h ALA 140 Ca 0.22 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1y8i h ALA 140 Cb 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1y8i h ALA 140 CO -0.02 0.46 0.00 1.28 0.00 0.00 0.00 179.25 180.98 1y8i n LEU 141 N -4.40 0.16 -0.35 0.00 4.77 -0.92 -2.60 117.00 113.65 1y8i n LEU 141 Ca 0.04 0.54 0.11 0.00 -0.03 0.00 0.00 56.01 56.67 1y8i n LEU 141 Cb 0.20 -0.52 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 1y8i n LEU 141 CO 0.40 -0.33 0.21 0.00 -1.33 0.00 0.00 177.39 176.35 1y8i n ALA 142 N -1.56 3.89 -0.33 -1.18 0.00 -0.90 -4.59 120.51 115.83 1y8i n ALA 142 Ca 0.03 -0.63 0.16 0.00 0.00 0.00 0.00 53.44 53.00 1y8i n ALA 142 Cb 0.18 -0.79 0.36 0.00 0.00 0.00 0.00 19.45 19.19 1y8i n ALA 142 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1y8i h HIS 143 N 1.74 0.92 0.00 0.00 3.86 -1.36 -1.52 115.15 118.79 1y8i h HIS 143 Ca 0.00 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1y8i h HIS 143 Cb 0.68 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.90 1y8i h HIS 143 CO 0.00 0.06 0.00 1.63 0.86 0.00 0.00 177.93 180.48 1y8i n LYS 144 N -4.91 0.61 -3.56 2.45 4.76 -1.26 -4.49 118.16 111.76 1y8i n LYS 144 Ca 0.25 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.29 1y8i n LYS 144 Cb 0.70 -1.08 -0.06 0.00 -1.84 0.00 0.00 35.03 32.75 1y8i n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1y8i s TYR 145 N -2.00 3.64 0.00 2.13 1.51 -0.57 -5.02 117.35 117.04 1y8i s TYR 145 Ca 0.05 -2.54 0.00 0.00 -1.01 0.00 0.00 57.07 53.57 1y8i s TYR 145 Cb 0.02 -3.44 0.00 0.00 -0.11 0.00 0.00 41.96 38.43 1y8i s TYR 145 CO 0.04 -0.88 0.00 1.58 -1.11 0.00 0.00 175.55 175.18