#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8i n GLN 2 N 0.00 -1.94 -4.44 7.34 1.13 -1.26 -5.10 117.38 113.11 1y8i n GLN 2 Ca 0.00 1.75 -0.25 0.00 -1.94 0.00 0.00 57.00 56.56 1y8i n GLN 2 Cb 0.00 -2.72 -0.10 0.00 0.11 0.00 0.00 30.24 27.54 1y8i n GLN 2 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1y8i s LEU 3 N -0.29 2.83 0.71 1.08 1.02 -1.26 -5.11 118.68 117.66 1y8i s LEU 3 Ca -0.12 -1.06 -0.16 0.00 0.02 0.00 0.00 54.13 52.80 1y8i s LEU 3 Cb 0.01 -1.19 0.02 0.00 0.02 0.00 0.00 46.19 45.06 1y8i s LEU 3 CO 0.34 -0.16 1.26 -0.94 0.02 0.00 0.00 176.35 176.87 1y8i s SER 4 N -3.64 4.23 0.31 2.29 1.04 -1.26 -4.75 113.70 111.92 1y8i s SER 4 Ca 0.33 2.54 0.06 0.00 0.48 0.00 0.00 55.95 59.36 1y8i s SER 4 Cb -0.00 -2.61 0.76 0.00 0.10 0.00 0.00 66.02 64.27 1y8i s SER 4 CO 0.17 -2.25 1.77 1.23 0.98 0.00 0.00 173.24 175.14 1y8i h GLY 5 N 0.02 1.81 1.00 7.32 0.00 -2.01 -0.30 103.07 110.91 1y8i h GLY 5 Ca -0.49 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.45 1y8i h GLY 5 CO 0.51 -0.10 0.22 0.83 0.00 0.00 0.00 176.54 178.00 1y8i h GLU 6 N 0.73 0.94 0.26 4.80 5.08 -2.00 -2.94 114.58 121.44 1y8i h GLU 6 Ca 0.59 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1y8i h GLU 6 Cb 0.96 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1y8i h GLU 6 CO -0.40 0.81 -0.22 0.93 -1.00 0.00 0.00 179.01 179.13 1y8i h GLU 7 N 0.87 -0.48 -0.62 2.33 5.08 -1.39 -2.11 114.58 118.26 1y8i h GLU 7 Ca 0.20 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.71 1y8i h GLU 7 Cb 0.24 0.11 -0.12 0.00 0.50 0.00 0.00 28.75 29.48 1y8i h GLU 7 CO -0.01 -0.32 -0.32 0.87 -1.00 0.00 0.00 179.01 178.23 1y8i h LYS 8 N -0.49 -0.14 -0.91 2.33 1.57 -1.39 0.38 116.57 117.92 1y8i h LYS 8 Ca -0.01 0.01 0.18 0.00 -1.87 0.00 0.00 60.65 58.96 1y8i h LYS 8 Cb 0.44 0.03 -0.11 0.00 0.08 0.00 0.00 32.23 32.68 1y8i h LYS 8 CO -0.02 -0.09 0.49 0.00 -0.57 0.00 0.00 179.45 179.26 1y8i h ALA 9 N 1.08 1.46 -0.16 3.86 0.00 -1.31 0.16 119.26 124.34 1y8i h ALA 9 Ca 0.25 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 55.12 1y8i h ALA 9 Cb 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1y8i h ALA 9 CO -0.70 -0.14 -0.45 0.00 0.00 0.00 0.00 179.25 177.97 1y8i h ALA 10 N 1.63 0.27 -0.27 0.00 0.00 0.26 -2.24 119.26 118.90 1y8i h ALA 10 Ca 0.53 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1y8i h ALA 10 Cb 0.84 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1y8i h ALA 10 CO -0.41 0.40 0.09 0.28 0.00 0.00 0.00 179.25 179.62 1y8i h VAL 11 N 0.23 1.19 -0.16 0.00 2.07 0.28 -2.88 116.25 116.98 1y8i h VAL 11 Ca -0.01 -0.60 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 1y8i h VAL 11 Cb 1.06 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.90 1y8i h VAL 11 CO 0.10 0.20 -0.21 -0.07 0.02 0.00 0.00 177.57 177.61 1y8i h LEU 12 N 0.28 0.27 -0.97 2.57 4.07 -0.78 -2.84 115.31 117.91 1y8i h LEU 12 Ca 0.09 -0.07 -0.11 0.00 0.08 0.00 0.00 57.88 57.87 1y8i h LEU 12 Cb 0.22 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 1y8i h LEU 12 CO -0.00 0.49 -0.48 0.00 -1.08 0.00 0.00 178.44 177.37 1y8i h ALA 13 N 1.53 1.14 -0.02 1.53 0.00 -1.28 -2.94 119.26 119.22 1y8i h ALA 13 Ca 0.04 -0.45 -0.21 0.00 0.00 0.00 0.00 54.91 54.29 1y8i h ALA 13 Cb 0.52 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1y8i h ALA 13 CO 0.03 0.62 -0.89 1.25 0.00 0.00 0.00 179.25 180.26 1y8i h LEU 14 N 0.07 0.51 -1.92 0.00 5.85 -1.29 -3.19 115.31 115.34 1y8i h LEU 14 Ca 0.00 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.33 1y8i h LEU 14 Cb 0.88 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.75 1y8i h LEU 14 CO 0.07 1.18 -0.02 -0.25 -0.34 0.00 0.00 178.44 179.07 1y8i h TRP 15 N 0.23 0.00 0.00 1.25 2.91 -1.34 -1.16 115.95 117.85 1y8i h TRP 15 Ca -0.07 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 59.95 1y8i h TRP 15 Cb 1.51 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 30.16 1y8i h TRP 15 CO 0.05 0.02 -0.01 -0.44 -1.03 0.00 0.00 178.44 177.04 1y8i h ASP 16 N 0.00 0.00 0.03 2.65 3.32 -1.51 -2.66 116.42 118.25 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 0.36 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1y8i h ASP 16 CO 0.00 0.01 -0.49 0.29 -1.72 0.00 0.00 179.24 177.34 1y8i n LYS 17 N -3.11 1.04 -2.79 3.56 5.02 -0.44 -4.94 118.16 116.48 1y8i n LYS 17 Ca -0.00 -0.83 -0.42 0.00 -2.02 0.00 0.00 58.31 55.05 1y8i n LYS 17 Cb 0.26 -1.48 -0.03 0.00 -0.02 0.00 0.00 35.03 33.76 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 -2.53 4.87 -0.51 -0.18 1.01 -1.00 -5.00 120.40 117.06 1y8i s VAL 18 Ca 0.18 1.87 -0.21 0.00 0.00 0.00 0.00 61.98 63.82 1y8i s VAL 18 Cb 0.18 -4.24 0.05 0.00 0.00 0.00 0.00 36.38 32.37 1y8i s VAL 18 CO 0.59 0.10 0.74 0.21 0.00 0.00 0.00 175.10 176.74 1y8i s ASN 19 N 1.03 6.28 0.53 3.32 3.84 -1.26 -4.92 114.94 123.76 1y8i s ASN 19 Ca 0.46 -0.62 0.22 0.00 0.21 0.00 0.00 52.86 53.12 1y8i s ASN 19 Cb -0.19 -2.35 1.38 0.00 -0.55 0.00 0.00 41.25 39.55 1y8i s ASN 19 CO 0.20 -0.99 2.08 -0.33 -2.79 0.00 0.00 177.10 175.27 1y8i h GLU 20 N 9.08 0.00 0.17 0.43 5.08 -1.94 -1.24 114.58 126.15 1y8i h GLU 20 Ca -0.27 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1y8i h GLU 20 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1y8i h GLU 20 CO 0.99 0.00 -0.08 1.49 -1.00 0.00 0.00 179.01 180.41 1y8i h GLU 21 N 0.00 -0.22 0.58 2.33 4.81 -1.91 -1.69 114.58 118.48 1y8i h GLU 21 Ca 0.12 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1y8i h GLU 21 Cb 0.50 0.05 0.01 0.00 0.63 0.00 0.00 28.75 29.93 1y8i h GLU 21 CO -0.00 0.15 -0.28 0.93 -0.73 0.00 0.00 179.01 179.08 1y8i h GLU 22 N -0.95 -0.75 -0.14 1.92 4.39 -1.94 -0.83 114.58 116.29 1y8i h GLU 22 Ca -0.02 0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.74 1y8i h GLU 22 Cb 0.47 0.17 -0.02 0.00 -0.10 0.00 0.00 28.75 29.27 1y8i h GLU 22 CO 0.04 -0.50 0.04 0.28 -1.16 0.00 0.00 179.01 177.71 1y8i h VAL 23 N -0.78 0.96 -0.50 3.13 2.07 -1.38 -2.22 116.25 117.52 1y8i h VAL 23 Ca -0.08 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 1y8i h VAL 23 Cb 0.60 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1y8i h VAL 23 CO 0.13 0.02 0.18 1.23 0.02 0.00 0.00 177.57 179.15 1y8i h GLY 24 N 0.11 0.83 0.90 2.17 0.00 -1.30 -0.26 103.07 105.51 1y8i h GLY 24 Ca 0.06 -0.47 0.03 0.00 0.00 0.00 0.00 47.33 46.95 1y8i h GLY 24 CO -0.07 0.44 0.57 -1.33 0.00 0.00 0.00 176.54 176.15 1y8i h GLY 25 N 0.68 1.27 1.02 4.60 0.00 -1.04 -1.44 103.07 108.15 1y8i h GLY 25 Ca 0.17 -0.44 -0.19 0.00 0.00 0.00 0.00 47.33 46.87 1y8i h GLY 25 CO -0.01 0.38 -0.66 -2.09 0.00 0.00 0.00 176.54 174.17 1y8i h GLU 26 N 1.11 0.65 0.06 4.80 4.81 -1.18 -2.29 114.58 122.54 1y8i h GLU 26 Ca 0.34 -0.54 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1y8i h GLU 26 Cb -0.02 0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 1y8i h GLU 26 CO -0.11 1.16 -0.06 0.00 -0.73 0.00 0.00 179.01 179.27 1y8i h ALA 27 N 0.49 -0.12 -0.43 2.92 0.00 -0.79 0.10 119.26 121.44 1y8i h ALA 27 Ca -0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1y8i h ALA 27 Cb 1.30 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1y8i h ALA 27 CO 0.14 -0.58 -0.02 1.25 0.00 0.00 0.00 179.25 180.04 1y8i h LEU 28 N -0.14 0.67 -0.32 0.00 6.46 -1.36 -2.05 115.31 118.56 1y8i h LEU 28 Ca 0.01 -0.16 -0.04 0.00 -0.12 0.00 0.00 57.88 57.56 1y8i h LEU 28 Cb 0.14 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 39.88 1y8i h LEU 28 CO -0.02 0.75 0.03 1.23 -0.62 0.00 0.00 178.44 179.81 1y8i h GLY 29 N 0.95 0.59 1.58 3.75 0.00 -1.07 -2.50 103.07 106.37 1y8i h GLY 29 Ca 0.13 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 1y8i h GLY 29 CO 0.02 0.38 -0.03 3.21 0.00 0.00 0.00 176.54 180.12 1y8i h ARG 30 N 0.36 0.52 -0.33 4.80 3.08 -0.65 -2.13 114.38 120.04 1y8i h ARG 30 Ca 0.09 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 1y8i h ARG 30 Cb 0.39 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 1y8i h ARG 30 CO 0.01 0.57 0.17 1.25 -1.07 0.00 0.00 179.97 180.91 1y8i h LEU 31 N 0.50 0.43 -1.33 3.04 5.85 -1.19 0.44 115.31 123.04 1y8i h LEU 31 Ca 0.10 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 1y8i h LEU 31 Cb 0.37 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 1y8i h LEU 31 CO 0.02 0.41 0.06 -0.07 -0.34 0.00 0.00 178.44 178.52 1y8i h LEU 32 N 0.41 0.47 0.08 2.25 3.38 -1.11 -1.12 115.31 119.67 1y8i h LEU 32 Ca 0.12 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 1y8i h LEU 32 Cb 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1y8i h LEU 32 CO -0.02 0.49 -0.74 0.58 0.09 0.00 0.00 178.44 178.85 1y8i h VAL 33 N 0.50 1.43 0.00 1.22 2.07 -1.04 -3.20 116.25 117.24 1y8i h VAL 33 Ca 0.12 -2.41 -0.07 0.00 0.82 0.00 0.00 66.70 65.16 1y8i h VAL 33 Cb 0.23 3.05 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 1y8i h VAL 33 CO -0.00 0.63 -0.32 0.58 0.02 0.00 0.00 177.57 178.49 1y8i h VAL 34 N -0.63 0.66 -2.12 2.57 2.07 -0.11 -3.34 116.25 115.34 1y8i h VAL 34 Ca -0.16 -1.52 -0.57 0.00 0.82 0.00 0.00 66.70 65.27 1y8i h VAL 34 Cb 1.43 2.02 -0.40 0.00 -1.52 0.00 0.00 31.29 32.82 1y8i h VAL 34 CO 0.04 0.31 -0.95 -1.22 0.02 0.00 0.00 177.57 175.77 1y8i n TYR 35 N -3.33 0.67 -0.51 1.57 4.01 -0.43 -5.00 117.16 114.14 1y8i n TYR 35 Ca 0.01 -3.71 0.43 0.00 -0.16 0.00 0.00 57.90 54.47 1y8i n TYR 35 Cb 0.55 -0.35 0.76 0.00 -0.31 0.00 0.00 39.34 39.98 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 4.26 0.03 0.00 -0.72 0.13 -1.69 -0.19 132.00 133.83 1y8i h PRO 36 Ca 0.12 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1y8i h PRO 36 Cb 0.83 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1y8i h PRO 36 CO 0.55 0.02 0.00 -2.67 -0.23 0.00 0.00 178.00 175.67 1y8i n TRP 37 N -4.18 0.71 0.42 1.56 2.14 -1.26 -1.31 117.44 115.52 1y8i n TRP 37 Ca 0.36 0.31 0.13 0.00 2.07 0.00 0.00 57.50 60.37 1y8i n TRP 37 Cb 1.59 -1.00 0.47 0.00 -0.81 0.00 0.00 31.31 31.57 1y8i n TRP 37 CO 0.00 0.00 0.00 1.79 2.07 0.00 0.00 177.69 181.55 1y8i h THR 38 N 0.00 0.00 -0.10 -1.67 1.35 -1.34 -3.11 112.91 108.04 1y8i h THR 38 Ca 0.00 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 65.41 1y8i h THR 38 Cb 0.23 1.33 -0.01 0.00 -1.73 0.00 0.00 68.15 67.98 1y8i h THR 38 CO 0.00 0.00 0.03 1.56 -0.25 0.00 0.00 175.52 176.86 1y8i h GLN 39 N 0.00 0.13 -0.86 4.72 4.20 -1.39 -2.98 115.11 118.93 1y8i h GLN 39 Ca 0.00 -0.01 0.21 0.00 0.06 0.00 0.00 58.65 58.91 1y8i h GLN 39 Cb 0.57 -0.03 -0.05 0.00 0.30 0.00 0.00 27.48 28.27 1y8i h GLN 39 CO 0.00 0.12 0.58 0.00 -0.67 0.00 0.00 178.83 178.86 1y8i h ARG 40 N 0.13 0.28 0.00 1.46 3.08 -1.74 0.65 114.38 118.24 1y8i h ARG 40 Ca 0.03 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1y8i h ARG 40 Cb 0.05 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1y8i h ARG 40 CO -0.00 0.18 0.00 1.19 -1.07 0.00 0.00 179.97 180.27 1y8i n PHE 41 N -4.45 0.29 -1.38 3.04 3.01 -1.13 -3.75 117.46 113.10 1y8i n PHE 41 Ca 0.18 0.09 0.08 0.00 1.01 0.00 0.00 57.45 58.81 1y8i n PHE 41 Cb 0.73 -0.65 0.18 0.00 -0.01 0.00 0.00 39.48 39.73 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 -1.74 0.00 0.19 1.38 3.72 0.21 -4.76 117.46 116.45 1y8i n PHE 42 Ca 0.06 -1.26 0.18 0.00 -0.05 0.00 0.00 57.45 56.37 1y8i n PHE 42 Cb 0.33 -0.20 0.81 0.00 -0.94 0.00 0.00 39.48 39.48 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 0.55 0.00 1.17 4.37 3.32 -1.62 0.71 116.42 124.92 1y8i h ASP 43 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1y8i h ASP 43 Cb 1.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.56 1y8i h ASP 43 CO 0.00 0.00 0.00 0.77 -1.72 0.00 0.00 179.24 178.29 1y8i h SER 44 N 0.00 0.00 0.80 6.45 4.64 -1.91 -3.03 113.55 120.50 1y8i h SER 44 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1y8i h SER 44 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 1y8i h SER 44 CO -0.00 0.00 0.00 -0.26 -0.87 0.00 0.00 176.83 175.70 1y8i h PHE 45 N 0.00 0.00 0.00 4.77 -1.00 -1.23 -3.49 116.94 115.99 1y8i h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1y8i h PHE 45 Cb 0.59 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.15 1y8i h PHE 45 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1y8i n GLY 46 N -0.10 0.05 3.64 -1.45 0.00 -1.15 -4.84 105.19 101.34 1y8i n GLY 46 Ca 0.01 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.57 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 6.22 -0.04 1.61 2.15 -1.26 -4.82 116.67 116.54 1y8i s ASP 47 Ca 0.00 2.07 0.05 0.00 0.43 0.00 0.00 52.55 55.11 1y8i s ASP 47 Cb 0.00 -2.53 0.08 0.00 -0.30 0.00 0.00 42.92 40.18 1y8i s ASP 47 CO 0.00 -1.32 0.95 0.18 -0.17 0.00 0.00 175.17 174.81 1y8i n LEU 48 N 8.76 1.39 -0.20 -1.34 4.77 -1.26 -4.49 117.00 124.63 1y8i n LEU 48 Ca 0.21 -1.76 0.19 0.00 -0.03 0.00 0.00 56.01 54.62 1y8i n LEU 48 Cb 0.44 -0.12 0.54 0.00 -2.33 0.00 0.00 43.42 41.94 1y8i n LEU 48 CO 0.66 0.42 1.22 0.77 -1.33 0.00 0.00 177.39 179.13 1y8i h SER 49 N 0.00 0.35 -5.01 -1.43 4.64 -1.94 -3.44 113.55 106.71 1y8i h SER 49 Ca 0.00 0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 61.18 1y8i h SER 49 Cb 0.88 -0.03 -0.19 0.00 -0.31 0.00 0.00 62.40 62.75 1y8i h SER 49 CO 0.00 0.15 -0.70 0.54 -0.87 0.00 0.00 176.83 175.95 1y8i s ASN 50 N -5.75 0.45 0.49 4.97 2.20 -1.26 -5.05 114.94 110.99 1y8i s ASN 50 Ca -0.08 -0.69 0.27 0.00 -0.94 0.00 0.00 52.86 51.42 1y8i s ASN 50 Cb 0.22 0.12 1.34 0.00 -2.00 0.00 0.00 41.25 40.93 1y8i s ASN 50 CO 0.77 -0.39 1.85 1.55 -2.94 0.00 0.00 177.10 177.94 1y8i h PRO 51 N 4.07 0.16 -0.12 3.55 0.13 -1.99 0.14 132.00 137.94 1y8i h PRO 51 Ca -0.33 -0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 64.59 1y8i h PRO 51 Cb 1.18 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1y8i h PRO 51 CO 0.50 0.10 -0.72 0.78 -0.23 0.00 0.00 178.00 178.43 1y8i h GLY 52 N 0.16 0.63 2.00 1.56 0.00 -1.97 -1.64 103.07 103.81 1y8i h GLY 52 Ca 0.49 -0.86 -0.15 0.00 0.00 0.00 0.00 47.33 46.81 1y8i h GLY 52 CO -0.10 0.77 -0.71 0.00 0.00 0.00 0.00 176.54 176.51 1y8i h ALA 53 N 0.80 0.77 -0.02 3.60 0.00 -1.17 -2.61 119.26 120.64 1y8i h ALA 53 Ca -0.03 -0.64 -0.08 0.00 0.00 0.00 0.00 54.91 54.16 1y8i h ALA 53 Cb 1.32 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1y8i h ALA 53 CO 0.14 0.88 -0.29 0.28 0.00 0.00 0.00 179.25 180.25 1y8i h VAL 54 N 0.00 1.49 0.00 0.00 2.07 -0.87 -1.87 116.25 117.07 1y8i h VAL 54 Ca -0.01 -1.85 -0.09 0.00 0.82 0.00 0.00 66.70 65.57 1y8i h VAL 54 Cb 1.30 2.58 -0.01 0.00 -1.52 0.00 0.00 31.29 33.64 1y8i h VAL 54 CO 0.09 0.52 -0.45 0.24 0.02 0.00 0.00 177.57 177.99 1y8i h MET 55 N -0.35 0.00 0.00 1.57 2.86 -1.38 -3.04 114.93 114.59 1y8i h MET 55 Ca -0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.59 1y8i h MET 55 Cb 1.00 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.66 1y8i h MET 55 CO 0.06 0.45 -0.50 0.78 1.06 0.00 0.00 176.91 178.76 1y8i h GLY 56 N 1.46 0.00 -4.96 8.32 0.00 -1.52 -3.47 103.07 102.91 1y8i h GLY 56 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.75 1y8i h GLY 56 CO 0.06 0.00 0.87 -2.01 0.00 0.00 0.00 176.54 175.45 1y8i n ASN 57 N -2.95 3.32 0.16 0.19 2.85 -0.70 -4.89 115.26 113.23 1y8i n ASN 57 Ca 0.02 1.07 0.02 0.00 -0.11 0.00 0.00 54.58 55.57 1y8i n ASN 57 Cb 0.58 -1.46 0.27 0.00 1.24 0.00 0.00 39.78 40.41 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 6.36 0.00 0.00 1.20 0.11 -1.90 -3.08 132.00 134.70 1y8i h PRO 58 Ca -0.45 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.56 1y8i h PRO 58 Cb 1.24 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 1y8i h PRO 58 CO 0.91 0.49 -0.49 0.87 -0.21 0.00 0.00 178.00 179.57 1y8i h LYS 59 N 0.00 0.00 -0.31 1.05 1.57 -1.90 -1.88 116.57 115.10 1y8i h LYS 59 Ca -0.00 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.59 1y8i h LYS 59 Cb 0.94 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 1y8i h LYS 59 CO 0.06 0.49 -0.52 0.28 -0.57 0.00 0.00 179.45 179.20 1y8i h VAL 60 N 0.00 1.27 -0.35 0.50 2.07 -1.86 -1.01 116.25 116.88 1y8i h VAL 60 Ca -0.00 -1.70 -0.12 0.00 0.82 0.00 0.00 66.70 65.70 1y8i h VAL 60 Cb 1.19 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 1y8i h VAL 60 CO 0.06 0.56 -0.24 0.11 0.02 0.00 0.00 177.57 178.08 1y8i h LYS 61 N 0.69 0.78 -0.23 1.57 1.57 -1.49 -0.34 116.57 119.13 1y8i h LYS 61 Ca 0.02 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1y8i h LYS 61 Cb 1.12 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.42 1y8i h LYS 61 CO 0.12 0.99 0.06 0.00 -0.57 0.00 0.00 179.45 180.06 1y8i h ALA 62 N 0.77 0.30 -0.00 3.86 0.00 -1.28 -1.54 119.26 121.36 1y8i h ALA 62 Ca 0.07 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 1y8i h ALA 62 Cb 0.80 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1y8i h ALA 62 CO 0.06 -0.06 -0.57 1.25 0.00 0.00 0.00 179.25 179.93 1y8i h HIS 63 N 0.19 0.01 -0.67 0.00 -0.00 -1.21 -2.92 115.15 110.54 1y8i h HIS 63 Ca 0.07 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.43 1y8i h HIS 63 Cb 0.25 -0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.63 1y8i h HIS 63 CO 0.01 0.58 0.38 0.78 -0.00 0.00 0.00 177.93 179.68 1y8i h GLY 64 N 1.71 1.00 1.00 5.26 0.00 -0.69 -1.93 103.07 109.42 1y8i h GLY 64 Ca -0.01 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1y8i h GLY 64 CO 0.08 0.42 0.35 1.70 0.00 0.00 0.00 176.54 179.09 1y8i h LYS 65 N 0.92 0.95 -0.79 4.80 3.64 -1.11 -1.97 116.57 123.01 1y8i h LYS 65 Ca 0.24 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1y8i h LYS 65 Cb 0.01 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.61 1y8i h LYS 65 CO -0.04 0.73 0.52 0.87 -2.27 0.00 0.00 179.45 179.26 1y8i h LYS 66 N 0.92 1.04 -0.17 1.90 1.57 -1.34 -1.42 116.57 119.07 1y8i h LYS 66 Ca 0.23 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1y8i h LYS 66 Cb 0.07 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.14 1y8i h LYS 66 CO -0.03 0.69 0.06 0.28 -0.57 0.00 0.00 179.45 179.87 1y8i h VAL 67 N 1.07 1.17 -0.10 0.50 2.07 -0.95 -2.44 116.25 117.57 1y8i h VAL 67 Ca 0.29 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 1y8i h VAL 67 Cb -0.11 1.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1y8i h VAL 67 CO -0.07 0.16 -0.15 -0.07 0.02 0.00 0.00 177.57 177.46 1y8i h LEU 68 N 0.12 0.15 -1.02 2.57 -0.00 -1.15 -1.39 115.31 114.58 1y8i h LEU 68 Ca 0.06 -0.03 -0.09 0.00 -0.00 0.00 0.00 57.88 57.81 1y8i h LEU 68 Cb 0.20 -0.04 -0.01 0.00 -0.00 0.00 0.00 40.66 40.80 1y8i h LEU 68 CO -0.00 0.33 -0.31 -0.74 -0.00 0.00 0.00 178.44 177.71 1y8i h HIS 69 N 0.16 0.36 -0.51 1.13 2.76 -1.05 -2.06 115.15 115.93 1y8i h HIS 69 Ca 0.03 -0.08 -0.12 0.00 -2.20 0.00 0.00 60.37 58.00 1y8i h HIS 69 Cb 0.37 -0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 1y8i h HIS 69 CO 0.00 0.60 -0.15 1.03 -1.30 0.00 0.00 177.93 178.11 1y8i h SER 70 N 0.28 1.01 -0.87 3.26 0.87 -0.79 -2.26 113.55 115.05 1y8i h SER 70 Ca 0.04 -0.35 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 1y8i h SER 70 Cb 0.69 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 62.33 1y8i h SER 70 CO 0.05 1.14 0.49 -0.26 -0.53 0.00 0.00 176.83 177.72 1y8i h PHE 71 N 0.87 1.18 -0.66 2.24 -1.00 -0.99 -1.96 116.94 116.62 1y8i h PHE 71 Ca 0.13 -0.02 0.07 0.00 2.81 0.00 0.00 57.97 60.96 1y8i h PHE 71 Cb 0.72 -0.38 -0.04 0.00 3.61 0.00 0.00 35.95 39.86 1y8i h PHE 71 CO 0.05 0.80 0.44 0.78 -1.61 0.00 0.00 178.31 178.77 1y8i h GLY 72 N 1.22 0.83 1.31 -1.45 0.00 -0.81 0.75 103.07 104.93 1y8i h GLY 72 Ca 0.31 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 1y8i h GLY 72 CO -0.05 0.19 0.01 0.83 0.00 0.00 0.00 176.54 177.52 1y8i h GLU 73 N 0.65 0.84 -0.30 4.80 4.39 -0.98 -2.30 114.58 121.68 1y8i h GLU 73 Ca 0.29 -0.23 -0.11 0.00 0.34 0.00 0.00 59.36 59.65 1y8i h GLU 73 Cb 0.30 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1y8i h GLU 73 CO -0.09 0.84 -0.23 0.78 -1.16 0.00 0.00 179.01 179.15 1y8i h GLY 74 N 0.98 0.75 2.00 -3.84 0.00 -0.65 -2.76 103.07 99.55 1y8i h GLY 74 Ca 0.15 -0.73 -0.03 0.00 0.00 0.00 0.00 47.33 46.73 1y8i h GLY 74 CO 0.02 0.66 -0.14 -2.08 0.00 0.00 0.00 176.54 175.00 1y8i h VAL 75 N 0.44 1.01 -0.31 4.60 2.07 -0.86 -2.12 116.25 121.08 1y8i h VAL 75 Ca 0.06 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.08 1y8i h VAL 75 Cb 0.78 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1y8i h VAL 75 CO 0.06 0.14 0.00 1.41 0.02 0.00 0.00 177.57 179.20 1y8i n HIS 76 N -4.24 0.40 -2.74 1.57 -0.00 -0.88 -4.22 115.22 105.11 1y8i n HIS 76 Ca -0.02 -0.20 -0.05 0.00 -0.00 0.00 0.00 57.72 57.45 1y8i n HIS 76 Cb 0.22 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.25 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 1.05 0.95 0.29 4.41 8.25 -0.83 -4.94 115.22 124.41 1y8i n HIS 77 Ca 0.18 -2.43 0.18 0.00 -0.26 0.00 0.00 57.72 55.39 1y8i n HIS 77 Cb 0.50 -0.17 0.96 0.00 1.12 0.00 0.00 29.99 32.39 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 2.72 0.00 0.00 2.41 3.38 -1.65 -0.24 115.31 121.93 1y8i h LEU 78 Ca -0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1y8i h LEU 78 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1y8i h LEU 78 CO 0.31 0.00 -0.37 0.44 0.09 0.00 0.00 178.44 178.91 1y8i h ASP 79 N 0.00 0.00 -2.08 -0.43 3.32 -1.92 -2.30 116.42 113.01 1y8i h ASP 79 Ca 0.00 -0.05 -0.51 0.00 0.02 0.00 0.00 57.03 56.48 1y8i h ASP 79 Cb 0.16 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.31 1y8i h ASP 79 CO 0.00 0.03 -1.04 -3.20 -1.72 0.00 0.00 179.24 173.31 1y8i n ASN 80 N -2.56 1.82 -0.11 6.45 4.05 -0.10 -4.83 115.26 119.98 1y8i n ASN 80 Ca 0.03 -3.18 -0.11 0.00 0.45 0.00 0.00 54.58 51.77 1y8i n ASN 80 Cb 0.49 -0.61 -0.03 0.00 1.23 0.00 0.00 39.78 40.86 1y8i n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1y8i h LEU 81 N 3.05 0.60 -0.17 1.20 3.38 -1.75 -1.81 115.31 119.81 1y8i h LEU 81 Ca 0.11 -0.34 0.05 0.00 0.09 0.00 0.00 57.88 57.79 1y8i h LEU 81 Cb 0.84 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 1y8i h LEU 81 CO 0.59 0.80 -0.19 0.50 0.09 0.00 0.00 178.44 180.23 1y8i h LYS 82 N 0.39 -0.22 0.00 1.13 3.64 -1.91 -1.65 116.57 117.95 1y8i h LYS 82 Ca 0.09 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 1y8i h LYS 82 Cb 0.52 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1y8i h LYS 82 CO 0.03 -0.14 -0.43 0.78 -2.27 0.00 0.00 179.45 177.41 1y8i h GLY 83 N -0.23 0.00 1.50 5.01 0.00 -1.96 -2.16 103.07 105.24 1y8i h GLY 83 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.28 1y8i h GLY 83 CO -0.30 0.00 -0.55 -0.84 0.00 0.00 0.00 176.54 174.85 1y8i h THR 84 N 0.00 1.33 -0.16 4.70 2.02 -0.69 -3.30 112.91 116.81 1y8i h THR 84 Ca -0.00 -1.81 0.00 0.00 0.77 0.00 0.00 66.41 65.36 1y8i h THR 84 Cb 0.80 1.79 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1y8i h THR 84 CO 0.06 0.56 0.00 0.49 0.37 0.00 0.00 175.52 177.00 1y8i n PHE 85 N -3.95 0.19 -0.32 3.16 3.72 -0.68 -4.68 117.46 114.90 1y8i n PHE 85 Ca -0.03 -0.12 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1y8i n PHE 85 Cb 0.60 -0.00 0.07 0.00 -0.94 0.00 0.00 39.48 39.21 1y8i n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1y8i h ALA 86 N 3.70 0.31 -0.13 4.37 0.00 -1.47 0.32 119.26 126.35 1y8i h ALA 86 Ca 0.00 0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1y8i h ALA 86 Cb 0.82 0.83 -0.01 0.00 0.00 0.00 0.00 17.79 19.44 1y8i h ALA 86 CO 0.00 -0.54 0.04 0.00 0.00 0.00 0.00 179.25 178.75 1y8i h ALA 87 N 1.53 0.17 0.00 0.00 0.00 -1.85 -2.64 119.26 116.46 1y8i h ALA 87 Ca 0.36 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1y8i h ALA 87 Cb 0.62 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1y8i h ALA 87 CO -0.91 -0.20 -0.07 -0.07 0.00 0.00 0.00 179.25 178.00 1y8i h LEU 88 N 0.02 0.00 -0.56 0.00 3.38 -1.53 -1.49 115.31 115.12 1y8i h LEU 88 Ca 0.04 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 1y8i h LEU 88 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1y8i h LEU 88 CO -0.00 0.07 -0.55 -1.28 0.09 0.00 0.00 178.44 176.77 1y8i h SER 89 N 0.00 0.55 -0.18 -0.43 0.87 -0.09 -1.66 113.55 112.60 1y8i h SER 89 Ca -0.00 -0.29 -0.09 0.00 -1.23 0.00 0.00 61.79 60.18 1y8i h SER 89 Cb 0.23 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1y8i h SER 89 CO 0.01 0.99 -0.25 -0.08 -0.53 0.00 0.00 176.83 176.97 1y8i h GLU 90 N 0.38 0.49 -0.05 2.24 4.81 -0.96 -1.59 114.58 119.90 1y8i h GLU 90 Ca 0.01 -0.28 0.01 0.00 -0.13 0.00 0.00 59.36 58.97 1y8i h GLU 90 Cb 1.08 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.47 1y8i h GLU 90 CO 0.10 0.87 -0.03 1.25 -0.73 0.00 0.00 179.01 180.47 1y8i h LEU 91 N 0.15 -0.11 -0.47 1.64 5.85 -1.34 -0.29 115.31 120.75 1y8i h LEU 91 Ca 0.02 0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.59 1y8i h LEU 91 Cb 0.81 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1y8i h LEU 91 CO 0.06 -0.05 -0.68 0.45 -0.34 0.00 0.00 178.44 177.88 1y8i h HIS 92 N -0.04 0.53 0.00 1.25 3.86 -1.36 0.15 115.15 119.54 1y8i h HIS 92 Ca 0.03 -0.22 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1y8i h HIS 92 Cb 0.09 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1y8i h HIS 92 CO -0.13 0.96 -0.31 0.00 0.86 0.00 0.00 177.93 179.30 1y8i h ASP 94 N -0.74 0.31 0.00 0.00 5.19 -1.22 -2.98 116.42 116.98 1y8i h ASP 94 Ca 0.00 -0.56 -0.03 0.00 -0.62 0.00 0.00 57.03 55.82 1y8i h ASP 94 Cb 0.31 -0.09 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 1y8i h ASP 94 CO 0.00 0.81 -0.17 0.11 -3.12 0.00 0.00 179.24 176.87 1y8i h LYS 95 N -0.17 0.00 0.00 3.56 1.57 -1.39 -3.40 116.57 116.73 1y8i h LYS 95 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1y8i h LYS 95 Cb 0.76 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1y8i h LYS 95 CO 0.04 0.83 -1.15 -0.07 -0.57 0.00 0.00 179.45 178.53 1y8i h LEU 96 N -1.00 0.00 -2.05 2.94 3.38 -0.83 -3.49 115.31 114.26 1y8i h LEU 96 Ca -0.04 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.65 1y8i h LEU 96 Cb 0.88 0.00 0.17 0.00 0.09 0.00 0.00 40.66 41.81 1y8i h LEU 96 CO -0.03 0.41 -0.77 1.41 0.09 0.00 0.00 178.44 179.55 1y8i n HIS 97 N -2.89 -2.21 -3.44 1.13 8.25 -0.81 -4.99 115.22 110.27 1y8i n HIS 97 Ca -0.05 0.86 -0.38 0.00 -0.26 0.00 0.00 57.72 57.89 1y8i n HIS 97 Cb 0.75 -4.52 -0.06 0.00 1.12 0.00 0.00 29.99 27.28 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 -3.36 5.10 0.19 1.59 1.01 -0.28 -5.02 120.40 119.64 1y8i s VAL 98 Ca 0.21 0.85 -0.30 0.00 0.00 0.00 0.00 61.98 62.74 1y8i s VAL 98 Cb -0.03 -3.74 -0.08 0.00 0.00 0.00 0.00 36.38 32.53 1y8i s VAL 98 CO 0.70 0.48 1.24 -0.62 0.00 0.00 0.00 175.10 176.89 1y8i s ASP 99 N -0.36 7.01 0.55 3.32 2.15 -1.26 -4.76 116.67 123.32 1y8i s ASP 99 Ca 0.24 2.30 0.29 0.00 0.43 0.00 0.00 52.55 55.80 1y8i s ASP 99 Cb -0.16 -2.61 1.46 0.00 -0.30 0.00 0.00 42.92 41.31 1y8i s ASP 99 CO 0.11 -0.43 1.94 -0.65 -0.17 0.00 0.00 175.17 175.97 1y8i h PRO 100 N 5.27 0.00 -0.49 4.34 0.11 -1.97 -1.94 132.00 137.32 1y8i h PRO 100 Ca -0.45 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.71 1y8i h PRO 100 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1y8i h PRO 100 CO 0.75 0.00 0.33 1.49 -0.21 0.00 0.00 178.00 180.36 1y8i h GLU 101 N 0.00 0.47 -0.06 1.05 4.57 -2.00 -2.01 114.58 116.60 1y8i h GLU 101 Ca 0.30 -0.03 -0.04 0.00 -1.18 0.00 0.00 59.36 58.41 1y8i h GLU 101 Cb 1.28 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 1y8i h GLU 101 CO -0.00 0.31 -0.16 -0.91 -1.18 0.00 0.00 179.01 177.07 1y8i h ASN 102 N 0.48 0.08 -0.71 1.04 2.35 -1.74 -2.46 115.58 114.62 1y8i h ASN 102 Ca 0.21 -0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.88 1y8i h ASN 102 Cb 0.21 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.53 1y8i h ASN 102 CO -0.05 0.25 0.22 -0.26 -1.65 0.00 0.00 177.43 175.94 1y8i h PHE 103 N 0.08 1.15 -0.42 1.19 0.04 -1.53 -0.97 116.94 116.49 1y8i h PHE 103 Ca 0.02 -0.11 -0.15 0.00 2.80 0.00 0.00 57.97 60.53 1y8i h PHE 103 Cb 0.33 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 38.14 1y8i h PHE 103 CO 0.00 0.91 -0.32 0.00 -0.60 0.00 0.00 178.31 178.31 1y8i h ARG 104 N 1.07 0.93 -0.74 1.51 3.08 -1.52 -1.28 114.38 117.44 1y8i h ARG 104 Ca 0.23 -0.45 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 1y8i h ARG 104 Cb 0.30 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1y8i h ARG 104 CO -0.01 1.11 0.43 -0.07 -1.07 0.00 0.00 179.97 180.36 1y8i h LEU 105 N 0.78 0.91 -0.89 3.04 3.38 -1.01 0.11 115.31 121.64 1y8i h LEU 105 Ca 0.08 -0.08 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1y8i h LEU 105 Cb 0.90 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1y8i h LEU 105 CO 0.08 0.72 -0.41 0.25 0.09 0.00 0.00 178.44 179.18 1y8i h LEU 106 N 1.02 0.32 -0.35 1.67 5.85 -1.08 -1.02 115.31 121.72 1y8i h LEU 106 Ca 0.26 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 1y8i h LEU 106 Cb -0.00 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1y8i h LEU 106 CO -0.05 0.70 0.07 1.23 -0.34 0.00 0.00 178.44 180.05 1y8i h GLY 107 N 1.19 0.62 1.35 3.75 0.00 -0.17 -1.28 103.07 108.52 1y8i h GLY 107 Ca 0.02 -0.40 -0.14 0.00 0.00 0.00 0.00 47.33 46.81 1y8i h GLY 107 CO 0.07 0.37 -0.39 3.43 0.00 0.00 0.00 176.54 180.02 1y8i h ASN 108 N 0.42 0.76 -0.86 0.19 2.35 -0.87 -2.25 115.58 115.32 1y8i h ASN 108 Ca 0.11 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.51 1y8i h ASN 108 Cb 0.33 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.45 1y8i h ASN 108 CO 0.00 1.06 0.49 0.58 -1.65 0.00 0.00 177.43 177.92 1y8i h VAL 109 N 0.59 1.24 -0.20 2.81 2.07 -1.07 -0.87 116.25 120.82 1y8i h VAL 109 Ca 0.05 -0.58 0.02 0.00 0.82 0.00 0.00 66.70 67.02 1y8i h VAL 109 Cb 0.93 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1y8i h VAL 109 CO 0.08 0.27 0.05 0.25 0.02 0.00 0.00 177.57 178.24 1y8i h LEU 110 N 1.19 0.04 -0.83 2.57 6.46 -1.06 -1.16 115.31 122.52 1y8i h LEU 110 Ca 0.30 0.03 0.06 0.00 -0.12 0.00 0.00 57.88 58.15 1y8i h LEU 110 Cb -0.01 0.03 -0.06 0.00 -0.73 0.00 0.00 40.66 39.89 1y8i h LEU 110 CO -0.05 0.05 0.52 0.58 -0.62 0.00 0.00 178.44 178.92 1y8i h VAL 111 N 0.14 1.05 -0.67 1.05 2.07 -0.67 -1.07 116.25 118.16 1y8i h VAL 111 Ca 0.09 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.24 1y8i h VAL 111 Cb 0.07 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.83 1y8i h VAL 111 CO -0.11 0.17 0.27 0.58 0.02 0.00 0.00 177.57 178.50 1y8i h VAL 112 N 0.95 1.24 -0.40 2.57 2.07 -0.72 -0.98 116.25 120.99 1y8i h VAL 112 Ca 0.36 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 1y8i h VAL 112 Cb 0.14 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.37 1y8i h VAL 112 CO -0.16 0.30 0.25 0.58 0.02 0.00 0.00 177.57 178.56 1y8i h VAL 113 N 0.95 1.12 -0.57 2.57 2.07 -0.43 -1.08 116.25 120.89 1y8i h VAL 113 Ca 0.22 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1y8i h VAL 113 Cb 0.21 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1y8i h VAL 113 CO -0.02 0.12 0.28 -0.07 0.02 0.00 0.00 177.57 177.91 1y8i h LEU 114 N 0.54 0.71 -1.02 2.57 3.38 -0.90 -1.80 115.31 118.79 1y8i h LEU 114 Ca 0.15 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 1y8i h LEU 114 Cb -0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 1y8i h LEU 114 CO -0.03 0.60 -0.15 0.00 0.09 0.00 0.00 178.44 178.95 1y8i h ALA 115 N 1.52 1.18 -0.02 1.53 0.00 -0.44 -1.61 119.26 121.42 1y8i h ALA 115 Ca 0.20 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 1y8i h ALA 115 Cb 0.07 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1y8i h ALA 115 CO -0.03 0.52 -0.76 -0.09 0.00 0.00 0.00 179.25 178.89 1y8i h ARG 116 N 0.48 0.20 0.05 0.00 2.43 -0.42 -1.90 114.38 115.22 1y8i h ARG 116 Ca 0.08 -0.18 -0.26 0.00 -0.81 0.00 0.00 59.98 58.82 1y8i h ARG 116 Cb 0.54 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.11 1y8i h ARG 116 CO 0.03 0.87 -1.32 0.45 -1.51 0.00 0.00 179.97 178.50 1y8i h HIS 117 N 0.13 0.18 -0.02 2.20 3.86 -1.19 -3.36 115.15 116.94 1y8i h HIS 117 Ca -0.03 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 1y8i h HIS 117 Cb 1.34 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.80 1y8i h HIS 117 CO 0.02 1.13 -0.08 1.19 0.86 0.00 0.00 177.93 181.05 1y8i n PHE 118 N -3.33 0.00 0.00 2.45 3.72 -0.62 -5.04 117.46 114.64 1y8i n PHE 118 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1y8i n PHE 118 Cb 1.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.54 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 1.23 2.38 0.12 1.37 0.00 -0.71 -1.06 105.19 108.52 1y8i n GLY 119 Ca 0.12 0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.49 1y8i n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y8i n LYS 120 N 14.00 0.15 0.19 1.61 5.02 -1.26 -1.66 118.16 136.22 1y8i n LYS 120 Ca 0.00 0.47 0.13 0.00 -2.02 0.00 0.00 58.31 56.89 1y8i n LYS 120 Cb 0.00 -1.84 0.30 0.00 -0.02 0.00 0.00 35.03 33.47 1y8i n LYS 120 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1y8i h ASP 121 N 0.00 0.00 -1.50 4.39 3.32 -1.49 -3.34 116.42 117.80 1y8i h ASP 121 Ca 0.00 0.00 -0.74 0.00 0.02 0.00 0.00 57.03 56.31 1y8i h ASP 121 Cb 0.23 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.64 1y8i h ASP 121 CO 0.00 0.00 1.90 0.33 -1.72 0.00 0.00 179.24 179.75 1y8i n PHE 122 N -2.85 3.79 -1.55 4.55 7.35 -0.66 -4.95 117.46 123.14 1y8i n PHE 122 Ca 0.04 -3.00 -0.33 0.00 -0.76 0.00 0.00 57.45 53.40 1y8i n PHE 122 Cb 0.47 -2.13 0.07 0.00 0.35 0.00 0.00 39.48 38.24 1y8i n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y8i s THR 123 N 1.27 3.00 0.59 -2.13 -4.23 -1.26 -4.79 115.64 108.10 1y8i s THR 123 Ca 0.42 0.44 0.29 0.00 -1.18 0.00 0.00 61.69 61.66 1y8i s THR 123 Cb 0.05 -2.94 0.36 0.00 1.34 0.00 0.00 72.50 71.32 1y8i s THR 123 CO 0.00 -0.32 2.10 1.55 -0.54 0.00 0.00 174.62 177.41 1y8i h PRO 124 N -0.32 0.00 -0.14 3.99 0.13 -1.94 -0.68 132.00 133.05 1y8i h PRO 124 Ca -0.46 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.45 1y8i h PRO 124 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 1y8i h PRO 124 CO 0.52 0.00 -0.78 0.93 -0.23 0.00 0.00 178.00 178.44 1y8i h GLU 125 N 0.00 0.73 -0.31 0.86 3.07 -1.99 -2.04 114.58 114.90 1y8i h GLU 125 Ca 0.09 -0.60 -0.16 0.00 -0.50 0.00 0.00 59.36 58.18 1y8i h GLU 125 Cb 0.50 0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 28.53 1y8i h GLU 125 CO -0.00 1.21 -0.46 1.25 -1.40 0.00 0.00 179.01 179.61 1y8i h LEU 126 N 0.49 0.89 -0.34 1.33 6.46 -1.52 -2.91 115.31 119.70 1y8i h LEU 126 Ca -0.05 -0.44 -0.01 0.00 -0.12 0.00 0.00 57.88 57.26 1y8i h LEU 126 Cb 1.40 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 41.06 1y8i h LEU 126 CO 0.16 1.21 0.17 -0.61 -0.62 0.00 0.00 178.44 178.75 1y8i h GLN 127 N 0.65 0.48 -0.96 1.25 4.15 -1.27 -1.41 115.11 118.00 1y8i h GLN 127 Ca 0.04 -0.06 0.14 0.00 0.77 0.00 0.00 58.65 59.53 1y8i h GLN 127 Cb 1.04 -0.09 -0.08 0.00 0.21 0.00 0.00 27.48 28.56 1y8i h GLN 127 CO 0.10 0.43 0.61 0.00 -1.93 0.00 0.00 178.83 178.04 1y8i h ALA 128 N 1.03 1.68 -0.47 3.38 0.00 -1.31 0.24 119.26 123.82 1y8i h ALA 128 Ca 0.12 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 1y8i h ALA 128 Cb 0.09 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1y8i h ALA 128 CO -0.02 0.05 -0.07 0.77 0.00 0.00 0.00 179.25 179.99 1y8i h SER 129 N 0.83 0.88 0.91 0.00 0.02 -1.21 -2.92 113.55 112.05 1y8i h SER 129 Ca 0.49 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 1y8i h SER 129 Cb 0.66 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 1y8i h SER 129 CO -0.26 1.01 -0.11 1.88 -1.14 0.00 0.00 176.83 178.21 1y8i h TYR 130 N 0.72 0.00 0.00 3.45 0.05 0.37 -2.18 116.97 119.39 1y8i h TYR 130 Ca 0.12 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.80 1y8i h TYR 130 Cb 0.60 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.33 1y8i h TYR 130 CO 0.05 0.11 -0.51 1.96 -1.05 0.00 0.00 178.16 178.71 1y8i h GLN 131 N 0.00 0.00 -0.01 4.88 1.08 -0.49 -0.68 115.11 119.90 1y8i h GLN 131 Ca -0.00 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.19 1y8i h GLN 131 Cb 0.59 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.02 1y8i h GLN 131 CO 0.01 0.51 -0.01 0.87 -0.95 0.00 0.00 178.83 179.26 1y8i h LYS 132 N 0.00 0.02 -0.49 1.46 1.57 -1.34 0.77 116.57 118.56 1y8i h LYS 132 Ca -0.01 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1y8i h LYS 132 Cb 1.04 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1y8i h LYS 132 CO 0.07 0.59 0.32 0.28 -0.57 0.00 0.00 179.45 180.14 1y8i h VAL 133 N -0.55 1.12 -0.37 0.50 2.07 -1.41 0.35 116.25 117.97 1y8i h VAL 133 Ca 0.00 -0.23 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1y8i h VAL 133 Cb 0.59 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1y8i h VAL 133 CO 0.00 0.12 -0.00 0.58 0.02 0.00 0.00 177.57 178.29 1y8i h VAL 134 N 0.66 1.26 -0.93 2.57 2.07 -1.16 -1.42 116.25 119.30 1y8i h VAL 134 Ca 0.18 -1.00 0.01 0.00 0.82 0.00 0.00 66.70 66.71 1y8i h VAL 134 Cb -0.07 1.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1y8i h VAL 134 CO -0.04 0.33 0.62 0.00 0.02 0.00 0.00 177.57 178.50 1y8i h ALA 135 N 0.87 1.33 -0.51 1.67 0.00 -0.46 -2.15 119.26 120.00 1y8i h ALA 135 Ca 0.10 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1y8i h ALA 135 Cb 0.47 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1y8i h ALA 135 CO 0.02 0.62 0.33 0.78 0.00 0.00 0.00 179.25 181.00 1y8i h GLY 136 N 1.27 0.72 0.93 0.00 0.00 0.24 -2.56 103.07 103.66 1y8i h GLY 136 Ca 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1y8i h GLY 136 CO -0.07 0.25 0.13 -2.08 0.00 0.00 0.00 176.54 174.77 1y8i h VAL 137 N 0.68 1.17 -0.38 4.60 2.07 -0.84 -2.57 116.25 120.97 1y8i h VAL 137 Ca 0.19 -0.49 0.07 0.00 0.82 0.00 0.00 66.70 67.29 1y8i h VAL 137 Cb -0.06 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1y8i h VAL 137 CO -0.05 0.17 -0.00 0.00 0.02 0.00 0.00 177.57 177.71 1y8i h ALA 138 N 0.98 0.35 -0.62 1.67 0.00 -1.19 -1.06 119.26 119.39 1y8i h ALA 138 Ca 0.10 0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1y8i h ALA 138 Cb 0.15 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1y8i h ALA 138 CO -0.01 -0.40 0.17 -0.91 0.00 0.00 0.00 179.25 178.11 1y8i h ASN 139 N 0.10 0.88 -0.13 0.00 2.35 -1.38 -1.57 115.58 115.83 1y8i h ASN 139 Ca 0.19 -0.16 -0.09 0.00 -0.55 0.00 0.00 56.30 55.69 1y8i h ASN 139 Cb 0.26 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 1y8i h ASN 139 CO -0.31 0.84 -0.19 0.00 -1.65 0.00 0.00 177.43 176.12 1y8i h ALA 140 N 1.28 1.12 0.00 -0.83 0.00 -0.97 -1.20 119.26 118.66 1y8i h ALA 140 Ca 0.20 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.66 1y8i h ALA 140 Cb 0.29 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1y8i h ALA 140 CO -0.00 0.55 -0.63 -0.07 0.00 0.00 0.00 179.25 179.10 1y8i h LEU 141 N 0.49 0.00 -0.96 0.00 3.38 -0.89 -2.56 115.31 114.76 1y8i h LEU 141 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1y8i h LEU 141 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1y8i h LEU 141 CO 0.04 0.63 0.00 0.00 0.09 0.00 0.00 178.44 179.20 1y8i n ALA 142 N -2.38 2.53 -0.23 1.53 0.00 -0.62 -4.29 120.51 117.06 1y8i n ALA 142 Ca -0.01 -0.47 0.15 0.00 0.00 0.00 0.00 53.44 53.11 1y8i n ALA 142 Cb 0.65 -1.12 0.46 0.00 0.00 0.00 0.00 19.45 19.44 1y8i n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y8i h HIS 143 N 1.93 0.64 0.00 0.00 6.17 -0.80 -0.95 115.15 122.14 1y8i h HIS 143 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1y8i h HIS 143 Cb 0.42 -0.20 0.00 0.00 2.52 0.00 0.00 27.41 30.15 1y8i h HIS 143 CO 0.09 0.22 0.00 1.63 0.71 0.00 0.00 177.93 180.58 1y8i n LYS 144 N -4.52 0.05 0.00 5.26 4.01 -1.26 0.02 118.16 121.71 1y8i n LYS 144 Ca 0.17 0.18 0.11 0.00 -0.51 0.00 0.00 58.31 58.26 1y8i n LYS 144 Cb 0.55 -1.50 0.04 0.00 -0.51 0.00 0.00 35.03 33.61 1y8i n LYS 144 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 1y8i n TYR 145 N -1.46 0.00 -0.03 2.13 4.01 -0.39 -5.00 117.16 116.42 1y8i n TYR 145 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 1y8i n TYR 145 Cb 0.20 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 1y8i n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12