#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8h s GLN 2 N 0.00 4.27 -0.15 7.34 -2.07 -1.26 -4.88 119.66 122.90 1y8h s GLN 2 Ca 0.00 2.33 -0.15 0.00 -1.82 0.00 0.00 55.36 55.72 1y8h s GLN 2 Cb 0.00 -3.07 -0.11 0.00 -1.09 0.00 0.00 33.01 28.74 1y8h s GLN 2 CO 0.00 -0.37 0.14 -0.07 -1.32 0.00 0.00 175.29 173.67 1y8h h LEU 3 N 4.13 0.00 0.00 2.60 -0.00 -1.99 -3.51 115.31 116.54 1y8h h LEU 3 Ca -0.48 -0.33 0.00 0.00 -0.00 0.00 0.00 57.88 57.08 1y8h h LEU 3 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 1y8h h LEU 3 CO 0.71 0.98 0.00 -0.24 -0.00 0.00 0.00 178.44 179.89 1y8h n SER 4 N -4.59 0.00 -0.04 -0.43 2.88 -1.26 -4.96 113.62 105.22 1y8h n SER 4 Ca -0.14 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.26 1y8h n SER 4 Cb 0.38 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.72 1y8h n SER 4 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1y8h h GLY 5 N 0.00 0.08 0.89 0.46 0.00 -1.99 -2.89 103.07 99.61 1y8h h GLY 5 Ca 0.00 -0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 1y8h h GLY 5 CO 0.00 0.12 -0.26 -2.09 0.00 0.00 0.00 176.54 174.31 1y8h h GLU 6 N -0.70 0.57 0.04 4.80 4.81 -2.01 -3.08 114.58 119.02 1y8h h GLU 6 Ca -0.01 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1y8h h GLU 6 Cb 0.91 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.31 1y8h h GLU 6 CO 0.02 0.91 -0.06 0.93 -0.73 0.00 0.00 179.01 180.08 1y8h h GLU 7 N 0.26 -0.10 -0.93 1.92 5.08 -1.94 -2.99 114.58 115.89 1y8h h GLU 7 Ca 0.03 0.01 0.34 0.00 -1.00 0.00 0.00 59.36 58.74 1y8h h GLU 7 Cb 0.83 0.02 -0.17 0.00 0.50 0.00 0.00 28.75 29.93 1y8h h GLU 7 CO 0.06 -0.07 0.31 1.17 -1.00 0.00 0.00 179.01 179.48 1y8h n LYS 8 N -2.71 -0.06 -0.23 2.33 4.81 -1.09 0.98 118.16 122.18 1y8h n LYS 8 Ca -0.01 1.33 0.02 0.00 -0.87 0.00 0.00 58.31 58.78 1y8h n LYS 8 Cb 0.05 -2.28 0.26 0.00 0.02 0.00 0.00 35.03 33.09 1y8h n LYS 8 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1y8h h ALA 9 N 1.87 1.51 0.00 3.14 0.00 -1.42 -1.76 119.26 122.59 1y8h h ALA 9 Ca 0.70 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.45 1y8h h ALA 9 Cb 1.72 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 1y8h h ALA 9 CO -0.78 0.42 -0.59 0.00 0.00 0.00 0.00 179.25 178.30 1y8h h ALA 10 N 1.53 0.69 -0.17 0.00 0.00 0.70 -2.74 119.26 119.27 1y8h h ALA 10 Ca 0.31 -0.53 -0.09 0.00 0.00 0.00 0.00 54.91 54.59 1y8h h ALA 10 Cb 0.01 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 1y8h h ALA 10 CO -0.09 0.73 -0.25 0.28 0.00 0.00 0.00 179.25 179.92 1y8h h VAL 11 N 0.00 1.35 0.00 0.00 2.07 -0.66 -2.87 116.25 116.15 1y8h h VAL 11 Ca -0.01 -1.47 -0.05 0.00 0.82 0.00 0.00 66.70 65.99 1y8h h VAL 11 Cb 1.34 1.91 -0.01 0.00 -1.52 0.00 0.00 31.29 33.01 1y8h h VAL 11 CO 0.08 0.44 -0.22 -0.07 0.02 0.00 0.00 177.57 177.82 1y8h h LEU 12 N 0.10 0.00 -1.04 2.57 3.38 -1.46 -2.88 115.31 115.98 1y8h h LEU 12 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1y8h h LEU 12 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1y8h h LEU 12 CO 0.06 0.22 0.00 0.00 0.09 0.00 0.00 178.44 178.81 1y8h h ALA 13 N 1.78 1.00 0.10 1.53 0.00 -1.35 -3.09 119.26 119.23 1y8h h ALA 13 Ca -0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 1y8h h ALA 13 Cb 0.86 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1y8h h ALA 13 CO 0.03 0.00 -2.08 -0.11 0.00 0.00 0.00 179.25 177.09 1y8h n LEU 14 N -2.90 2.69 0.34 0.00 7.94 -1.10 -4.11 117.00 119.87 1y8h n LEU 14 Ca 0.02 0.15 0.20 0.00 -1.11 0.00 0.00 56.01 55.27 1y8h n LEU 14 Cb 0.33 -1.08 1.09 0.00 0.53 0.00 0.00 43.42 44.29 1y8h n LEU 14 CO 0.27 0.86 1.17 -0.25 -1.11 0.00 0.00 177.39 178.33 1y8h h TRP 15 N 0.04 0.00 -0.36 1.96 2.91 -1.46 -0.49 115.95 118.55 1y8h h TRP 15 Ca -0.45 0.00 -0.14 0.00 1.13 0.00 0.00 58.89 59.43 1y8h h TRP 15 Cb 2.00 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 30.64 1y8h h TRP 15 CO 0.07 0.00 -0.34 -0.44 -1.03 0.00 0.00 178.44 176.70 1y8h h ASP 16 N 0.00 0.87 -0.03 2.65 5.19 -1.69 -2.81 116.42 120.60 1y8h h ASP 16 Ca 0.00 -0.37 0.00 0.00 -0.62 0.00 0.00 57.03 56.04 1y8h h ASP 16 Cb 0.23 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.49 1y8h h ASP 16 CO -0.00 1.13 0.00 0.29 -3.12 0.00 0.00 179.24 177.54 1y8h n LYS 17 N -4.06 1.46 -2.60 3.56 5.02 -0.21 -4.86 118.16 116.46 1y8h n LYS 17 Ca -0.01 -0.67 -0.42 0.00 -2.02 0.00 0.00 58.31 55.18 1y8h n LYS 17 Cb 0.51 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 34.03 1y8h n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y8h s VAL 18 N -1.98 4.59 -1.23 -0.18 1.01 -1.06 -4.97 120.40 116.58 1y8h s VAL 18 Ca 0.40 1.87 -0.04 0.00 0.00 0.00 0.00 61.98 64.21 1y8h s VAL 18 Cb 0.20 -4.20 0.18 0.00 0.00 0.00 0.00 36.38 32.55 1y8h s VAL 18 CO 0.33 -0.00 2.24 -3.20 0.00 0.00 0.00 175.10 174.46 1y8h n ASN 19 N 5.13 7.85 0.00 3.32 2.85 -1.26 -4.98 115.26 128.17 1y8h n ASN 19 Ca 0.10 -3.30 0.00 0.00 -0.11 0.00 0.00 54.58 51.27 1y8h n ASN 19 Cb 0.48 -1.31 0.00 0.00 1.24 0.00 0.00 39.78 40.19 1y8h n ASN 19 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1y8h n GLU 20 N 1.21 0.00 -0.34 1.20 1.02 -1.26 -1.48 120.64 120.99 1y8h n GLU 20 Ca 0.58 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.84 1y8h n GLU 20 Cb 0.25 0.00 0.32 0.00 -0.02 0.00 0.00 31.44 32.00 1y8h n GLU 20 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 1y8h h GLU 21 N 0.00 0.77 0.04 3.49 4.81 -1.93 -1.64 114.58 120.12 1y8h h GLU 21 Ca 0.00 -0.05 -0.30 0.00 -0.13 0.00 0.00 59.36 58.89 1y8h h GLU 21 Cb 0.00 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 1y8h h GLU 21 CO 0.00 0.51 -1.62 0.39 -0.73 0.00 0.00 179.01 177.56 1y8h n GLU 22 N -4.67 0.64 -0.21 1.92 1.02 -0.55 -3.39 120.64 115.39 1y8h n GLU 22 Ca 0.21 0.44 -0.02 0.00 -0.02 0.00 0.00 57.16 57.77 1y8h n GLU 22 Cb 0.51 -1.71 0.09 0.00 -0.02 0.00 0.00 31.44 30.30 1y8h n GLU 22 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1y8h h VAL 23 N -0.61 0.94 0.00 2.62 2.07 -1.55 -2.14 116.25 117.56 1y8h h VAL 23 Ca -0.40 -0.20 -0.14 0.00 0.82 0.00 0.00 66.70 66.77 1y8h h VAL 23 Cb 1.59 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1y8h h VAL 23 CO -0.12 0.11 -0.67 1.23 0.02 0.00 0.00 177.57 178.14 1y8h h GLY 24 N 0.60 0.00 2.00 2.17 0.00 -1.49 -2.75 103.07 103.59 1y8h h GLY 24 Ca 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.54 1y8h h GLY 24 CO -0.19 0.00 -0.34 -1.33 0.00 0.00 0.00 176.54 174.67 1y8h h GLY 25 N 2.23 0.00 1.26 4.60 0.00 -1.49 -2.82 103.07 106.85 1y8h h GLY 25 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.18 1y8h h GLY 25 CO 0.09 0.00 -1.16 -2.09 0.00 0.00 0.00 176.54 173.38 1y8h h GLU 26 N 0.00 0.00 -0.10 4.80 4.81 -1.39 -3.10 114.58 119.60 1y8h h GLU 26 Ca -0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.03 1y8h h GLU 26 Cb 1.08 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.46 1y8h h GLU 26 CO 0.04 0.34 -0.74 0.00 -0.73 0.00 0.00 179.01 177.92 1y8h h ALA 27 N 1.46 0.52 0.05 2.92 0.00 -1.42 -0.35 119.26 122.45 1y8h h ALA 27 Ca -0.11 -0.60 -0.25 0.00 0.00 0.00 0.00 54.91 53.94 1y8h h ALA 27 Cb 1.51 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 19.27 1y8h h ALA 27 CO 0.05 0.74 -1.02 1.25 0.00 0.00 0.00 179.25 180.27 1y8h h LEU 28 N 0.35 0.81 -0.69 0.00 5.85 -1.61 -2.65 115.31 117.36 1y8h h LEU 28 Ca -0.04 -0.79 -0.04 0.00 0.84 0.00 0.00 57.88 57.86 1y8h h LEU 28 Cb 1.33 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 1y8h h LEU 28 CO 0.13 1.50 0.28 1.23 -0.34 0.00 0.00 178.44 181.24 1y8h h GLY 29 N 0.21 1.11 0.94 3.75 0.00 -1.56 -1.24 103.07 106.29 1y8h h GLY 29 Ca -0.14 -0.60 0.03 0.00 0.00 0.00 0.00 47.33 46.61 1y8h h GLY 29 CO 0.20 0.57 0.65 3.21 0.00 0.00 0.00 176.54 181.17 1y8h h ARG 30 N 0.99 1.24 -0.44 4.80 -0.00 -1.07 -2.02 114.38 117.88 1y8h h ARG 30 Ca 0.23 -0.07 -0.15 0.00 -0.50 0.00 0.00 59.98 59.49 1y8h h ARG 30 Cb 0.21 -0.28 -0.01 0.00 0.00 0.00 0.00 29.97 29.89 1y8h h ARG 30 CO -0.02 0.82 -0.29 1.25 0.00 0.00 0.00 179.97 181.73 1y8h h LEU 31 N 1.28 1.03 -1.11 3.04 5.85 -1.02 -1.46 115.31 122.90 1y8h h LEU 31 Ca 0.38 -0.43 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 1y8h h LEU 31 Cb -0.05 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 1y8h h LEU 31 CO -0.11 1.23 -0.40 -0.07 -0.34 0.00 0.00 178.44 178.76 1y8h h LEU 32 N 0.83 0.09 0.00 2.25 3.38 -0.97 -2.59 115.31 118.30 1y8h h LEU 32 Ca 0.09 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 1y8h h LEU 32 Cb 0.88 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1y8h h LEU 32 CO 0.08 0.48 -0.00 0.58 0.09 0.00 0.00 178.44 179.67 1y8h h VAL 33 N 0.07 1.76 -0.26 1.22 2.07 -1.28 -3.25 116.25 116.59 1y8h h VAL 33 Ca 0.01 -2.28 -0.11 0.00 0.82 0.00 0.00 66.70 65.14 1y8h h VAL 33 Cb 0.74 3.31 -0.00 0.00 -1.52 0.00 0.00 31.29 33.82 1y8h h VAL 33 CO 0.06 0.59 -0.27 0.58 0.02 0.00 0.00 177.57 178.54 1y8h h VAL 34 N -0.97 1.31 -2.86 2.57 2.07 -1.36 -3.35 116.25 113.66 1y8h h VAL 34 Ca -0.00 -1.45 -0.62 0.00 0.82 0.00 0.00 66.70 65.46 1y8h h VAL 34 Cb 0.97 1.66 -0.42 0.00 -1.52 0.00 0.00 31.29 31.97 1y8h h VAL 34 CO 0.00 0.46 -0.58 -1.22 0.02 0.00 0.00 177.57 176.25 1y8h n TYR 35 N -4.31 3.37 0.00 1.57 4.01 -0.97 -4.97 117.16 115.85 1y8h n TYR 35 Ca -0.04 -4.28 0.00 0.00 -0.16 0.00 0.00 57.90 53.42 1y8h n TYR 35 Cb 0.46 -0.61 0.00 0.00 -0.31 0.00 0.00 39.34 38.88 1y8h n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1y8h n PRO 36 N 1.67 0.00 0.00 -0.72 -0.04 -1.23 -2.37 135.00 132.31 1y8h n PRO 36 Ca 0.22 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 64.13 1y8h n PRO 36 Cb 0.36 -1.56 0.50 0.00 -0.04 0.00 0.00 33.50 32.76 1y8h n PRO 36 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1y8h n TRP 37 N -1.30 0.00 0.86 0.54 2.14 -1.26 -3.06 117.44 115.36 1y8h n TRP 37 Ca 0.00 0.00 0.13 0.00 2.07 0.00 0.00 57.50 59.70 1y8h n TRP 37 Cb 0.06 -0.34 0.38 0.00 -0.81 0.00 0.00 31.31 30.60 1y8h n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1y8h n THR 38 N -1.37 0.16 -0.08 -1.67 -2.24 -1.00 -3.13 114.28 104.96 1y8h n THR 38 Ca 0.08 -0.10 0.11 0.00 -2.27 0.00 0.00 64.05 61.88 1y8h n THR 38 Cb 0.32 -0.19 0.49 0.00 -2.10 0.00 0.00 70.33 68.85 1y8h n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1y8h h GLN 39 N 0.00 0.41 -0.29 -0.78 4.20 -1.75 -1.99 115.11 114.90 1y8h h GLN 39 Ca 0.00 -0.02 0.09 0.00 0.06 0.00 0.00 58.65 58.77 1y8h h GLN 39 Cb 0.58 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 1y8h h GLN 39 CO 0.00 0.27 0.37 -0.09 -0.67 0.00 0.00 178.83 178.71 1y8h h ARG 40 N 0.42 0.00 -0.01 1.46 2.43 -1.77 -0.68 114.38 116.23 1y8h h ARG 40 Ca 0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.44 1y8h h ARG 40 Cb 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 1y8h h ARG 40 CO -0.07 0.00 -0.22 1.19 -1.51 0.00 0.00 179.97 179.35 1y8h n PHE 41 N -3.60 0.00 -2.27 2.20 3.01 -0.75 -4.21 117.46 111.85 1y8h n PHE 41 Ca 0.05 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.36 1y8h n PHE 41 Cb 0.51 -0.14 0.04 0.00 -0.01 0.00 0.00 39.48 39.88 1y8h n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1y8h n PHE 42 N -0.73 2.12 -0.12 1.38 3.01 -0.26 -4.86 117.46 118.00 1y8h n PHE 42 Ca 0.13 -2.13 0.01 0.00 1.01 0.00 0.00 57.45 56.47 1y8h n PHE 42 Cb 0.33 -0.30 0.31 0.00 -0.01 0.00 0.00 39.48 39.81 1y8h n PHE 42 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1y8h h ASP 43 N 2.24 0.69 0.10 4.37 3.32 -1.73 -1.99 116.42 123.42 1y8h h ASP 43 Ca 0.18 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1y8h h ASP 43 Cb 1.44 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1y8h h ASP 43 CO 0.54 0.54 0.00 -1.54 -1.72 0.00 0.00 179.24 177.05 1y8h n SER 44 N -4.42 0.00 0.07 6.45 3.41 -1.26 -1.69 113.62 116.18 1y8h n SER 44 Ca 0.06 -0.11 0.13 0.00 -0.26 0.00 0.00 58.87 58.69 1y8h n SER 44 Cb 0.07 -0.14 0.39 0.00 -0.26 0.00 0.00 64.21 64.27 1y8h n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1y8h n PHE 45 N -1.14 0.64 0.00 7.33 3.01 -0.75 -5.03 117.46 121.51 1y8h n PHE 45 Ca 0.07 0.19 0.00 0.00 1.01 0.00 0.00 57.45 58.71 1y8h n PHE 45 Cb 0.06 -0.77 0.00 0.00 -0.01 0.00 0.00 39.48 38.76 1y8h n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y8h n GLY 46 N 1.36 0.83 3.66 1.37 0.00 -0.68 -4.84 105.19 106.89 1y8h n GLY 46 Ca 0.05 -1.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.06 1y8h n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y8h s ASP 47 N -4.00 7.06 -0.06 1.61 2.15 -1.26 -4.88 116.67 117.29 1y8h s ASP 47 Ca 0.00 1.47 0.09 0.00 0.43 0.00 0.00 52.55 54.53 1y8h s ASP 47 Cb 0.00 -2.54 0.13 0.00 -0.30 0.00 0.00 42.92 40.21 1y8h s ASP 47 CO 0.00 -0.69 1.04 0.18 -0.17 0.00 0.00 175.17 175.53 1y8h n LEU 48 N 6.35 1.16 -0.37 -1.34 4.77 -1.26 -4.36 117.00 121.96 1y8h n LEU 48 Ca 0.12 -1.94 0.02 0.00 -0.03 0.00 0.00 56.01 54.18 1y8h n LEU 48 Cb 0.46 -0.19 0.08 0.00 -2.33 0.00 0.00 43.42 41.44 1y8h n LEU 48 CO 0.53 0.46 0.62 0.28 -1.33 0.00 0.00 177.39 177.95 1y8h h SER 49 N 0.00 -1.20 -4.98 -1.43 0.02 -1.94 -3.44 113.55 100.58 1y8h h SER 49 Ca 0.00 0.30 -0.34 0.00 -0.84 0.00 0.00 61.79 60.91 1y8h h SER 49 Cb 1.15 0.69 -0.14 0.00 0.14 0.00 0.00 62.40 64.24 1y8h h SER 49 CO 0.00 -0.31 -0.59 0.54 -1.14 0.00 0.00 176.83 175.33 1y8h s ASN 50 N -5.31 0.99 0.61 3.07 2.20 -1.26 -5.05 114.94 110.19 1y8h s ASN 50 Ca -0.14 -1.46 0.32 0.00 -0.94 0.00 0.00 52.86 50.64 1y8h s ASN 50 Cb 0.23 0.32 1.86 0.00 -2.00 0.00 0.00 41.25 41.66 1y8h s ASN 50 CO 0.74 -0.83 2.20 1.55 -2.94 0.00 0.00 177.10 177.82 1y8h h PRO 51 N 2.40 0.00 0.03 3.55 0.13 -1.99 -2.33 132.00 133.79 1y8h h PRO 51 Ca -0.35 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.52 1y8h h PRO 51 Cb 1.25 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.40 1y8h h PRO 51 CO 0.54 0.00 -1.03 0.78 -0.23 0.00 0.00 178.00 178.07 1y8h h GLY 52 N 0.00 0.71 1.57 1.56 0.00 -1.96 -2.61 103.07 102.35 1y8h h GLY 52 Ca 0.03 -1.32 -0.10 0.00 0.00 0.00 0.00 47.33 45.94 1y8h h GLY 52 CO -0.00 1.16 -0.29 0.00 0.00 0.00 0.00 176.54 177.41 1y8h h ALA 53 N 0.35 1.04 -0.04 3.60 0.00 -1.76 -2.86 119.26 119.59 1y8h h ALA 53 Ca -0.14 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 1y8h h ALA 53 Cb 1.70 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1y8h h ALA 53 CO 0.20 0.58 -0.28 0.28 0.00 0.00 0.00 179.25 180.03 1y8h h VAL 54 N 0.42 1.46 -0.53 0.00 2.07 -1.51 -2.76 116.25 115.40 1y8h h VAL 54 Ca 0.06 -1.77 -0.08 0.00 0.82 0.00 0.00 66.70 65.73 1y8h h VAL 54 Cb 0.73 2.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1y8h h VAL 54 CO 0.06 0.50 0.01 0.24 0.02 0.00 0.00 177.57 178.40 1y8h h MET 55 N -0.29 0.89 -0.01 1.57 2.86 -1.50 -2.83 114.93 115.62 1y8h h MET 55 Ca -0.02 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1y8h h MET 55 Cb 0.95 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.52 1y8h h MET 55 CO 0.06 0.88 -0.01 0.41 1.06 0.00 0.00 176.91 179.31 1y8h n GLY 56 N -0.59 -0.51 3.72 8.32 0.00 -1.08 -4.87 105.19 110.18 1y8h n GLY 56 Ca 0.03 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.31 1y8h n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1y8h s ASN 57 N -2.03 7.06 0.11 1.61 3.84 -1.04 -4.96 114.94 119.52 1y8h s ASN 57 Ca 0.42 2.09 -0.16 0.00 0.21 0.00 0.00 52.86 55.42 1y8h s ASN 57 Cb 0.21 -2.58 -0.04 0.00 -0.55 0.00 0.00 41.25 38.29 1y8h s ASN 57 CO 0.36 -0.47 1.56 -0.65 -2.79 0.00 0.00 177.10 175.11 1y8h h PRO 58 N 6.51 0.64 -0.48 0.43 0.11 -1.90 -2.95 132.00 134.37 1y8h h PRO 58 Ca -0.42 -0.20 0.00 0.00 0.11 0.00 0.00 66.00 65.49 1y8h h PRO 58 Cb 1.21 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1y8h h PRO 58 CO 0.80 0.75 0.31 0.87 -0.21 0.00 0.00 178.00 180.52 1y8h h LYS 59 N 0.46 0.63 -0.30 1.05 1.79 -1.93 0.23 116.57 118.50 1y8h h LYS 59 Ca 0.10 -0.04 -0.18 0.00 -2.18 0.00 0.00 60.65 58.35 1y8h h LYS 59 Cb 0.46 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 30.97 1y8h h LYS 59 CO 0.02 0.43 -0.52 0.28 -1.08 0.00 0.00 179.45 178.58 1y8h h VAL 60 N 0.65 1.28 -0.34 0.50 2.07 -1.89 0.74 116.25 119.26 1y8h h VAL 60 Ca 0.17 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 65.95 1y8h h VAL 60 Cb -0.06 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.31 1y8h h VAL 60 CO -0.04 0.56 0.02 0.50 0.02 0.00 0.00 177.57 178.63 1y8h h LYS 61 N 0.66 0.59 0.59 1.57 1.63 -1.25 -0.49 116.57 119.86 1y8h h LYS 61 Ca 0.02 -0.18 -0.03 0.00 -0.85 0.00 0.00 60.65 59.61 1y8h h LYS 61 Cb 1.12 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.70 1y8h h LYS 61 CO 0.12 0.70 -0.30 0.00 -3.45 0.00 0.00 179.45 176.52 1y8h h ALA 62 N 0.87 -1.20 -0.95 5.00 0.00 -0.87 -2.54 119.26 119.56 1y8h h ALA 62 Ca 0.10 -0.17 0.11 0.00 0.00 0.00 0.00 54.91 54.94 1y8h h ALA 62 Cb 0.42 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.48 1y8h h ALA 62 CO 0.01 -1.15 0.61 1.25 0.00 0.00 0.00 179.25 179.98 1y8h h HIS 63 N -0.81 1.06 -0.88 0.00 -0.00 -0.91 -1.45 115.15 112.16 1y8h h HIS 63 Ca -0.08 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.36 1y8h h HIS 63 Cb 0.62 -0.34 -0.05 0.00 -0.00 0.00 0.00 27.41 27.64 1y8h h HIS 63 CO 0.07 0.46 0.58 0.78 -0.00 0.00 0.00 177.93 179.81 1y8h h GLY 64 N 0.95 1.26 0.98 5.26 0.00 -1.04 -2.01 103.07 108.46 1y8h h GLY 64 Ca 0.46 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1y8h h GLY 64 CO -0.22 0.36 0.27 1.70 0.00 0.00 0.00 176.54 178.65 1y8h h LYS 65 N 1.08 0.71 -0.61 4.80 3.64 -0.82 -1.85 116.57 123.53 1y8h h LYS 65 Ca 0.35 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 59.57 1y8h h LYS 65 Cb 0.05 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1y8h h LYS 65 CO -0.11 0.56 0.08 0.87 -2.27 0.00 0.00 179.45 178.58 1y8h h LYS 66 N 0.67 1.00 -0.65 1.90 1.57 -1.30 -0.76 116.57 119.00 1y8h h LYS 66 Ca 0.18 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1y8h h LYS 66 Cb 0.07 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.23 1y8h h LYS 66 CO -0.03 0.94 0.18 0.28 -0.57 0.00 0.00 179.45 180.25 1y8h h VAL 67 N 0.94 1.25 -0.52 0.50 2.07 -1.22 -1.35 116.25 117.92 1y8h h VAL 67 Ca 0.19 -0.90 -0.07 0.00 0.82 0.00 0.00 66.70 66.74 1y8h h VAL 67 Cb 0.44 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1y8h h VAL 67 CO 0.01 0.34 0.04 0.25 0.02 0.00 0.00 177.57 178.23 1y8h h LEU 68 N 0.96 0.81 -0.95 2.57 7.12 -0.92 -2.20 115.31 122.70 1y8h h LEU 68 Ca 0.21 -0.19 -0.06 0.00 0.13 0.00 0.00 57.88 57.97 1y8h h LEU 68 Cb 0.33 -0.21 -0.02 0.00 -0.53 0.00 0.00 40.66 40.22 1y8h h LEU 68 CO -0.00 0.85 0.10 -0.74 -0.13 0.00 0.00 178.44 178.52 1y8h h HIS 69 N 0.79 0.90 -0.43 1.25 2.76 -0.78 -2.30 115.15 117.36 1y8h h HIS 69 Ca 0.16 -0.10 -0.06 0.00 -2.20 0.00 0.00 60.37 58.17 1y8h h HIS 69 Cb 0.43 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.11 1y8h h HIS 69 CO 0.02 0.78 0.02 1.03 -1.30 0.00 0.00 177.93 178.48 1y8h h SER 70 N 0.83 0.64 -0.16 3.26 0.87 -0.68 -2.50 113.55 115.81 1y8h h SER 70 Ca 0.17 -0.13 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1y8h h SER 70 Cb 0.36 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 1y8h h SER 70 CO 0.01 0.69 0.04 -0.26 -0.53 0.00 0.00 176.83 176.78 1y8h h PHE 71 N 0.64 0.27 -0.93 2.24 -1.00 -0.86 -2.72 116.94 114.58 1y8h h PHE 71 Ca 0.13 -0.03 0.17 0.00 2.81 0.00 0.00 57.97 61.06 1y8h h PHE 71 Cb 0.37 -0.08 -0.10 0.00 3.61 0.00 0.00 35.95 39.75 1y8h h PHE 71 CO 0.02 0.38 0.52 0.78 -1.61 0.00 0.00 178.31 178.41 1y8h h GLY 72 N 0.07 1.60 1.90 -1.45 0.00 -1.16 1.06 103.07 105.09 1y8h h GLY 72 Ca 0.05 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1y8h h GLY 72 CO -0.00 -0.06 0.00 1.18 0.00 0.00 0.00 176.54 177.66 1y8h n GLU 73 N -4.82 0.02 -0.12 4.80 -0.58 -0.97 -1.75 120.64 117.23 1y8h n GLU 73 Ca 0.20 0.34 -0.18 0.00 -0.42 0.00 0.00 57.16 57.11 1y8h n GLU 73 Cb 0.51 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.78 1y8h n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y8h n GLY 74 N -0.75 -0.34 0.20 0.62 0.00 0.33 -3.62 105.19 101.64 1y8h n GLY 74 Ca 0.02 -0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.03 1y8h n GLY 74 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1y8h h VAL 75 N -0.16 0.00 0.00 1.61 2.07 0.29 -2.83 116.25 117.24 1y8h h VAL 75 Ca -0.54 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 66.72 1y8h h VAL 75 Cb 1.76 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 1y8h h VAL 75 CO -0.14 0.00 -1.79 1.41 0.02 0.00 0.00 177.57 177.08 1y8h n HIS 76 N -2.43 0.13 -0.83 1.57 -0.00 -0.92 -4.55 115.22 108.19 1y8h n HIS 76 Ca -0.02 0.06 -0.10 0.00 -0.00 0.00 0.00 57.72 57.66 1y8h n HIS 76 Cb 0.07 -0.82 -0.03 0.00 -0.00 0.00 0.00 29.99 29.21 1y8h n HIS 76 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1y8h n HIS 77 N -4.36 0.61 -0.05 4.41 8.25 -1.13 -4.64 115.22 118.31 1y8h n HIS 77 Ca -0.36 -1.48 0.24 0.00 -0.26 0.00 0.00 57.72 55.87 1y8h n HIS 77 Cb 0.71 -0.96 0.62 0.00 1.12 0.00 0.00 29.99 31.48 1y8h n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1y8h h LEU 78 N 3.39 0.00 -0.16 2.41 3.38 -1.74 0.23 115.31 122.82 1y8h h LEU 78 Ca 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.04 1y8h h LEU 78 Cb 1.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1y8h h LEU 78 CO 0.36 0.00 -0.47 0.44 0.09 0.00 0.00 178.44 178.86 1y8h h ASP 79 N 0.00 0.00 -1.93 -0.43 5.19 -1.89 -3.29 116.42 114.06 1y8h h ASP 79 Ca 0.33 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 56.19 1y8h h ASP 79 Cb 1.90 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 41.00 1y8h h ASP 79 CO -0.00 0.47 -0.81 -3.20 -3.12 0.00 0.00 179.24 172.58 1y8h n ASN 80 N -3.26 3.65 -0.03 6.45 4.05 0.80 -4.87 115.26 122.05 1y8h n ASN 80 Ca 0.02 -3.49 -0.08 0.00 0.45 0.00 0.00 54.58 51.47 1y8h n ASN 80 Cb 0.69 -0.54 0.08 0.00 1.23 0.00 0.00 39.78 41.25 1y8h n ASN 80 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 177.26 174.14 1y8h h LEU 81 N 2.89 0.66 0.00 1.20 4.07 -1.72 -1.96 115.31 120.44 1y8h h LEU 81 Ca 0.15 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.81 1y8h h LEU 81 Cb 0.75 -0.19 0.00 0.00 1.08 0.00 0.00 40.66 42.30 1y8h h LEU 81 CO 0.74 0.99 0.00 0.29 -1.08 0.00 0.00 178.44 179.38 1y8h n LYS 82 N -4.03 0.89 0.00 1.13 5.02 -1.26 -2.24 118.16 117.66 1y8h n LYS 82 Ca -0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1y8h n LYS 82 Cb 0.52 -1.36 0.00 0.00 -0.02 0.00 0.00 35.03 34.17 1y8h n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1y8h n GLY 83 N 0.66 0.24 0.14 0.72 0.00 -1.18 -4.19 105.19 101.59 1y8h n GLY 83 Ca 0.15 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.23 1y8h n GLY 83 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1y8h h THR 84 N 0.00 0.41 -0.21 2.61 2.02 -1.25 -3.30 112.91 113.19 1y8h h THR 84 Ca 0.00 -1.64 0.00 0.00 0.77 0.00 0.00 66.41 65.54 1y8h h THR 84 Cb 0.00 2.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 1y8h h THR 84 CO 0.00 0.23 0.00 0.49 0.37 0.00 0.00 175.52 176.61 1y8h n PHE 85 N -3.02 0.32 -0.25 3.16 3.01 -0.95 -4.77 117.46 114.95 1y8h n PHE 85 Ca -0.00 -0.54 0.05 0.00 1.01 0.00 0.00 57.45 57.97 1y8h n PHE 85 Cb 0.67 -0.06 0.17 0.00 -0.01 0.00 0.00 39.48 40.26 1y8h n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y8h h ALA 86 N 1.24 0.90 0.06 4.37 0.00 -1.73 -0.15 119.26 123.96 1y8h h ALA 86 Ca 0.00 0.18 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 1y8h h ALA 86 Cb 0.71 0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.79 1y8h h ALA 86 CO 0.01 -0.37 -0.72 0.00 0.00 0.00 0.00 179.25 178.17 1y8h h ALA 87 N 1.63 0.01 -0.92 0.00 0.00 -1.86 -3.15 119.26 114.96 1y8h h ALA 87 Ca 0.41 -0.63 0.07 0.00 0.00 0.00 0.00 54.91 54.76 1y8h h ALA 87 Cb 0.71 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.50 1y8h h ALA 87 CO -0.54 0.38 0.58 -0.07 0.00 0.00 0.00 179.25 179.60 1y8h h LEU 88 N -0.18 0.92 -0.28 0.00 3.38 -1.84 -0.78 115.31 116.53 1y8h h LEU 88 Ca -0.11 0.02 0.07 0.00 0.09 0.00 0.00 57.88 57.95 1y8h h LEU 88 Cb 1.48 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.98 1y8h h LEU 88 CO 0.14 0.58 -0.19 -1.28 0.09 0.00 0.00 178.44 177.77 1y8h h SER 89 N 1.05 -0.64 -0.23 -0.43 0.87 -1.08 -0.07 113.55 113.02 1y8h h SER 89 Ca 0.41 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 61.10 1y8h h SER 89 Cb 0.20 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 1y8h h SER 89 CO -0.18 -0.23 0.15 -0.08 -0.53 0.00 0.00 176.83 175.96 1y8h h GLU 90 N -0.17 0.30 -0.04 2.24 4.81 -1.14 -1.45 114.58 119.13 1y8h h GLU 90 Ca 0.15 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1y8h h GLU 90 Cb 0.40 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.72 1y8h h GLU 90 CO -0.39 0.20 -0.13 1.25 -0.73 0.00 0.00 179.01 179.21 1y8h h LEU 91 N 0.31 0.18 -0.75 1.64 5.85 -0.13 -3.23 115.31 119.18 1y8h h LEU 91 Ca 0.08 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1y8h h LEU 91 Cb -0.03 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1y8h h LEU 91 CO -0.02 0.78 0.00 0.45 -0.34 0.00 0.00 178.44 179.31 1y8h h HIS 92 N -0.41 0.00 0.00 1.25 3.86 -0.94 -1.06 115.15 117.86 1y8h h HIS 92 Ca -0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1y8h h HIS 92 Cb 0.76 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.23 1y8h h HIS 92 CO 0.14 0.00 0.00 0.00 0.86 0.00 0.00 177.93 178.93 1y8h h ASP 94 N 0.00 0.00 0.00 0.00 3.32 -1.79 -2.21 116.42 115.74 1y8h h ASP 94 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1y8h h ASP 94 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1y8h h ASP 94 CO 0.00 0.33 -0.17 0.11 -1.72 0.00 0.00 179.24 177.79 1y8h h LYS 95 N 0.00 0.00 0.01 3.56 1.79 -1.59 -3.41 116.57 116.93 1y8h h LYS 95 Ca -0.00 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.25 1y8h h LYS 95 Cb 1.08 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.71 1y8h h LYS 95 CO 0.04 0.00 -1.03 -0.07 -1.08 0.00 0.00 179.45 177.31 1y8h h LEU 96 N -0.54 0.05 -1.36 2.94 3.38 -1.37 -3.49 115.31 114.91 1y8h h LEU 96 Ca 0.00 -0.05 -0.22 0.00 0.09 0.00 0.00 57.88 57.70 1y8h h LEU 96 Cb 0.17 -0.02 0.09 0.00 0.09 0.00 0.00 40.66 40.99 1y8h h LEU 96 CO 0.00 1.04 -0.43 1.41 0.09 0.00 0.00 178.44 180.55 1y8h n HIS 97 N -3.37 -1.51 -3.04 1.13 8.25 -0.83 -5.00 115.22 110.85 1y8h n HIS 97 Ca -0.01 0.58 -0.39 0.00 -0.26 0.00 0.00 57.72 57.64 1y8h n HIS 97 Cb 0.95 -3.63 -0.06 0.00 1.12 0.00 0.00 29.99 28.37 1y8h n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1y8h s VAL 98 N -3.20 4.45 0.34 1.59 1.01 -0.46 -5.03 120.40 119.09 1y8h s VAL 98 Ca 0.17 1.58 -0.27 0.00 0.00 0.00 0.00 61.98 63.47 1y8h s VAL 98 Cb -0.08 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.14 1y8h s VAL 98 CO 0.43 0.50 1.07 -0.62 0.00 0.00 0.00 175.10 176.48 1y8h s ASP 99 N -1.19 7.02 0.53 3.32 -1.08 -1.26 -4.81 116.67 119.20 1y8h s ASP 99 Ca 0.35 2.14 0.35 0.00 -0.52 0.00 0.00 52.55 54.88 1y8h s ASP 99 Cb -0.22 -2.61 1.71 0.00 -1.46 0.00 0.00 42.92 40.34 1y8h s ASP 99 CO 0.25 -0.31 2.06 -0.65 0.52 0.00 0.00 175.17 177.04 1y8h h PRO 100 N 3.15 0.00 0.00 4.34 0.11 -1.96 -2.81 132.00 134.84 1y8h h PRO 100 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1y8h h PRO 100 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1y8h h PRO 100 CO 0.65 0.00 0.00 1.49 -0.21 0.00 0.00 178.00 179.93 1y8h h GLU 101 N 0.00 0.00 0.03 1.05 4.57 -1.99 -2.58 114.58 115.66 1y8h h GLU 101 Ca 0.00 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.96 1y8h h GLU 101 Cb 0.24 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1y8h h GLU 101 CO 0.00 0.00 -0.99 -0.91 -1.18 0.00 0.00 179.01 175.93 1y8h h ASN 102 N 0.00 0.22 -0.85 1.04 2.35 -1.89 -2.95 115.58 113.50 1y8h h ASN 102 Ca 0.00 -0.21 0.09 0.00 -0.55 0.00 0.00 56.30 55.63 1y8h h ASN 102 Cb 0.36 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.58 1y8h h ASN 102 CO 0.00 1.08 0.50 -0.26 -1.65 0.00 0.00 177.43 177.10 1y8h h PHE 103 N 0.07 0.91 0.05 1.19 0.04 -1.63 -1.92 116.94 115.64 1y8h h PHE 103 Ca -0.06 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.76 1y8h h PHE 103 Cb 1.67 -0.28 -0.05 0.00 2.20 0.00 0.00 35.95 39.49 1y8h h PHE 103 CO 0.03 0.39 -0.50 0.00 -0.60 0.00 0.00 178.31 177.63 1y8h h ARG 104 N 0.85 -0.63 0.01 1.51 2.47 -1.57 -2.48 114.38 114.53 1y8h h ARG 104 Ca 0.40 0.04 0.01 0.00 -1.26 0.00 0.00 59.98 59.18 1y8h h ARG 104 Cb 0.34 0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.76 1y8h h ARG 104 CO -0.23 -0.42 -0.38 -0.07 0.56 0.00 0.00 179.97 179.43 1y8h h LEU 105 N -0.66 -1.16 -1.75 3.04 3.38 -1.21 -1.24 115.31 115.71 1y8h h LEU 105 Ca 0.00 0.13 0.29 0.00 0.09 0.00 0.00 57.88 58.39 1y8h h LEU 105 Cb 0.69 0.44 -0.06 0.00 0.09 0.00 0.00 40.66 41.81 1y8h h LEU 105 CO -0.31 -0.37 0.72 0.25 0.09 0.00 0.00 178.44 178.82 1y8h h LEU 106 N -0.48 0.18 0.07 1.67 5.85 -1.42 0.32 115.31 121.50 1y8h h LEU 106 Ca 0.01 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1y8h h LEU 106 Cb 0.51 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.54 1y8h h LEU 106 CO -0.25 0.04 -0.03 1.23 -0.34 0.00 0.00 178.44 179.09 1y8h h GLY 107 N 0.16 -0.10 1.54 3.75 0.00 -0.77 -1.03 103.07 106.62 1y8h h GLY 107 Ca 0.53 0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.80 1y8h h GLY 107 CO -0.12 -0.04 -0.24 3.43 0.00 0.00 0.00 176.54 179.58 1y8h h ASN 108 N -0.38 0.54 -0.46 0.19 2.35 -0.16 -2.72 115.58 114.94 1y8h h ASN 108 Ca -0.01 -0.18 -0.11 0.00 -0.55 0.00 0.00 56.30 55.45 1y8h h ASN 108 Cb 0.33 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1y8h h ASN 108 CO 0.02 0.78 -0.13 0.58 -1.65 0.00 0.00 177.43 177.03 1y8h h VAL 109 N 0.48 1.27 -0.74 2.81 2.07 -1.12 -0.01 116.25 121.01 1y8h h VAL 109 Ca 0.07 -1.26 0.10 0.00 0.82 0.00 0.00 66.70 66.42 1y8h h VAL 109 Cb 0.67 1.02 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1y8h h VAL 109 CO 0.05 0.44 0.48 0.25 0.02 0.00 0.00 177.57 178.81 1y8h h LEU 110 N 0.84 0.57 -0.01 2.57 6.46 -0.90 -0.69 115.31 124.14 1y8h h LEU 110 Ca 0.13 0.01 -0.21 0.00 -0.12 0.00 0.00 57.88 57.70 1y8h h LEU 110 Cb 0.67 -0.10 0.02 0.00 -0.73 0.00 0.00 40.66 40.51 1y8h h LEU 110 CO 0.05 0.34 -0.79 0.58 -0.62 0.00 0.00 178.44 178.00 1y8h h VAL 111 N 0.63 1.35 -0.04 1.05 2.07 -1.04 -2.32 116.25 117.95 1y8h h VAL 111 Ca 0.34 -2.13 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 1y8h h VAL 111 Cb 0.48 2.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 1y8h h VAL 111 CO -0.12 0.64 -0.05 0.58 0.02 0.00 0.00 177.57 178.64 1y8h h VAL 112 N 0.15 1.06 -0.02 2.57 2.07 -0.35 -0.92 116.25 120.82 1y8h h VAL 112 Ca -0.10 -0.26 -0.19 0.00 0.82 0.00 0.00 66.70 66.98 1y8h h VAL 112 Cb 1.47 1.08 0.01 0.00 -1.52 0.00 0.00 31.29 32.34 1y8h h VAL 112 CO 0.16 0.08 -0.73 0.58 0.02 0.00 0.00 177.57 177.68 1y8h h VAL 113 N 0.05 1.37 0.00 2.57 2.07 -1.14 -2.65 116.25 118.53 1y8h h VAL 113 Ca 0.01 -2.10 -0.02 0.00 0.82 0.00 0.00 66.70 65.41 1y8h h VAL 113 Cb 0.12 2.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1y8h h VAL 113 CO 0.01 0.63 -0.09 -0.07 0.02 0.00 0.00 177.57 178.06 1y8h h LEU 114 N 0.08 0.00 0.16 2.57 3.38 -0.80 -1.75 115.31 118.95 1y8h h LEU 114 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1y8h h LEU 114 Cb 1.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.16 1y8h h LEU 114 CO 0.14 0.09 -0.08 0.00 0.09 0.00 0.00 178.44 178.69 1y8h h ALA 115 N 1.91 -0.21 -0.53 1.53 0.00 -1.10 -2.60 119.26 118.25 1y8h h ALA 115 Ca -0.00 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 54.76 1y8h h ALA 115 Cb 0.23 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1y8h h ALA 115 CO 0.01 -0.34 0.36 -0.09 0.00 0.00 0.00 179.25 179.19 1y8h h ARG 116 N -0.78 0.37 0.05 0.00 2.43 -1.09 -1.93 114.38 113.43 1y8h h ARG 116 Ca -0.02 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 1y8h h ARG 116 Cb 0.53 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1y8h h ARG 116 CO 0.04 0.25 -0.40 0.45 -1.51 0.00 0.00 179.97 178.79 1y8h h HIS 117 N 0.38 0.31 -0.04 2.20 3.86 -1.37 -3.37 115.15 117.13 1y8h h HIS 117 Ca 0.24 -0.20 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1y8h h HIS 117 Cb 0.44 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.89 1y8h h HIS 117 CO -0.00 1.10 0.00 1.19 0.86 0.00 0.00 177.93 181.08 1y8h n PHE 118 N -4.38 0.03 -1.36 2.45 3.72 -0.98 -5.03 117.46 111.90 1y8h n PHE 118 Ca -0.11 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 1y8h n PHE 118 Cb 0.62 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.16 1y8h n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1y8h n GLY 119 N 1.21 2.36 0.00 1.37 0.00 -0.74 -2.49 105.19 106.91 1y8h n GLY 119 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1y8h n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y8h n LYS 120 N 14.00 0.01 0.08 1.61 5.02 -1.26 -1.15 118.16 136.47 1y8h n LYS 120 Ca 0.00 0.26 0.12 0.00 -2.02 0.00 0.00 58.31 56.67 1y8h n LYS 120 Cb 0.00 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.60 1y8h n LYS 120 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1y8h h ASP 121 N 0.00 0.00 -1.63 4.39 3.32 -1.89 -3.38 116.42 117.23 1y8h h ASP 121 Ca 0.00 -0.12 -0.73 0.00 0.02 0.00 0.00 57.03 56.20 1y8h h ASP 121 Cb 0.01 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 1y8h h ASP 121 CO 0.00 0.06 1.75 0.33 -1.72 0.00 0.00 179.24 179.66 1y8h n PHE 122 N -2.39 4.55 -2.29 4.55 7.35 -0.30 -4.96 117.46 123.96 1y8h n PHE 122 Ca 0.02 -3.14 -0.36 0.00 -0.76 0.00 0.00 57.45 53.21 1y8h n PHE 122 Cb 0.49 -2.28 -0.01 0.00 0.35 0.00 0.00 39.48 38.03 1y8h n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y8h s THR 123 N 2.12 3.20 0.49 -2.13 -4.23 -1.26 -4.79 115.64 109.03 1y8h s THR 123 Ca 0.45 0.84 0.31 0.00 -1.18 0.00 0.00 61.69 62.11 1y8h s THR 123 Cb 0.01 -3.39 0.50 0.00 1.34 0.00 0.00 72.50 70.96 1y8h s THR 123 CO 0.02 -0.07 1.77 1.55 -0.54 0.00 0.00 174.62 177.34 1y8h h PRO 124 N 1.76 0.13 -0.27 3.99 0.13 -1.95 0.25 132.00 136.04 1y8h h PRO 124 Ca -0.50 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.55 1y8h h PRO 124 Cb 1.25 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1y8h h PRO 124 CO 0.59 0.09 -0.12 0.93 -0.23 0.00 0.00 178.00 179.26 1y8h h GLU 125 N 0.13 0.56 -0.34 0.86 3.07 -1.99 -1.83 114.58 115.04 1y8h h GLU 125 Ca 0.61 -0.24 -0.02 0.00 -0.50 0.00 0.00 59.36 59.21 1y8h h GLU 125 Cb 2.12 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 29.99 1y8h h GLU 125 CO -0.14 0.80 0.12 1.25 -1.40 0.00 0.00 179.01 179.64 1y8h h LEU 126 N 0.29 0.48 -1.36 1.33 5.85 -0.95 -2.26 115.31 118.68 1y8h h LEU 126 Ca 0.06 -0.18 0.13 0.00 0.84 0.00 0.00 57.88 58.73 1y8h h LEU 126 Cb 0.62 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.47 1y8h h LEU 126 CO 0.04 0.53 0.55 -0.61 -0.34 0.00 0.00 178.44 178.61 1y8h h GLN 127 N 0.39 0.63 -0.55 1.25 4.15 -0.97 0.10 115.11 120.10 1y8h h GLN 127 Ca 0.11 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 1y8h h GLN 127 Cb 0.21 -0.14 -0.03 0.00 0.21 0.00 0.00 27.48 27.74 1y8h h GLN 127 CO -0.01 0.41 0.29 0.00 -1.93 0.00 0.00 178.83 177.60 1y8h h ALA 128 N 1.61 0.71 0.74 3.38 0.00 -0.75 -0.32 119.26 124.62 1y8h h ALA 128 Ca 0.41 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1y8h h ALA 128 Cb 0.68 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1y8h h ALA 128 CO -0.17 0.25 -0.40 0.77 0.00 0.00 0.00 179.25 179.70 1y8h h SER 129 N 0.75 -0.98 -0.78 0.00 0.02 -0.68 -2.55 113.55 109.33 1y8h h SER 129 Ca 0.19 0.05 0.18 0.00 -0.84 0.00 0.00 61.79 61.37 1y8h h SER 129 Cb 0.08 0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.84 1y8h h SER 129 CO -0.03 -0.65 0.53 1.88 -1.14 0.00 0.00 176.83 177.42 1y8h h TYR 130 N -1.05 0.36 0.00 3.45 0.05 -1.28 -0.80 116.97 117.71 1y8h h TYR 130 Ca -0.10 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.69 1y8h h TYR 130 Cb 0.83 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 38.45 1y8h h TYR 130 CO -0.06 0.12 -0.00 1.96 -1.05 0.00 0.00 178.16 179.13 1y8h h GLN 131 N 0.29 0.00 0.05 4.88 1.08 -0.61 -1.56 115.11 119.25 1y8h h GLN 131 Ca 0.39 0.00 -0.34 0.00 -1.45 0.00 0.00 58.65 57.25 1y8h h GLN 131 Cb 1.08 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.47 1y8h h GLN 131 CO -0.10 0.00 -1.88 0.36 -0.95 0.00 0.00 178.83 176.26 1y8h n LYS 132 N -4.17 0.66 0.00 1.46 2.85 -0.37 -2.80 118.16 115.79 1y8h n LYS 132 Ca -0.03 0.35 0.00 0.00 -1.05 0.00 0.00 58.31 57.59 1y8h n LYS 132 Cb 0.09 -1.67 0.01 0.00 -0.65 0.00 0.00 35.03 32.81 1y8h n LYS 132 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 1y8h n VAL 133 N -3.86 0.00 -0.03 0.58 0.31 -0.83 -0.69 118.33 113.82 1y8h n VAL 133 Ca -0.36 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 63.91 1y8h n VAL 133 Cb 0.90 -0.79 -0.03 0.00 -0.91 0.00 0.00 33.84 33.02 1y8h n VAL 133 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1y8h n VAL 134 N -0.80 0.36 0.25 2.52 3.14 -0.62 -4.54 118.33 118.64 1y8h n VAL 134 Ca 0.00 -0.11 0.09 0.00 -2.96 0.00 0.00 64.34 61.36 1y8h n VAL 134 Cb 0.00 -1.17 0.63 0.00 -1.06 0.00 0.00 33.84 32.25 1y8h n VAL 134 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1y8h h ALA 135 N -0.12 1.66 -0.28 1.55 0.00 -0.73 -1.55 119.26 119.79 1y8h h ALA 135 Ca -0.15 -0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.48 1y8h h ALA 135 Cb 1.18 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 1y8h h ALA 135 CO -0.06 0.13 -0.53 0.78 0.00 0.00 0.00 179.25 179.57 1y8h h GLY 136 N 0.40 0.90 1.41 0.00 0.00 -1.30 -2.11 103.07 102.37 1y8h h GLY 136 Ca -0.00 -1.03 -0.10 0.00 0.00 0.00 0.00 47.33 46.20 1y8h h GLY 136 CO 0.01 0.93 -0.18 -2.08 0.00 0.00 0.00 176.54 175.22 1y8h h VAL 137 N 0.64 1.26 -0.35 4.60 2.07 -1.64 -0.67 116.25 122.17 1y8h h VAL 137 Ca 0.02 -1.24 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 1y8h h VAL 137 Cb 1.12 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 1y8h h VAL 137 CO 0.11 0.41 -0.11 0.00 0.02 0.00 0.00 177.57 178.01 1y8h h ALA 138 N 1.19 1.15 0.15 1.67 0.00 -1.15 -2.74 119.26 119.53 1y8h h ALA 138 Ca 0.10 -0.29 -0.30 0.00 0.00 0.00 0.00 54.91 54.42 1y8h h ALA 138 Cb 0.65 -0.15 0.03 0.00 0.00 0.00 0.00 17.79 18.32 1y8h h ALA 138 CO 0.05 0.54 -1.30 -0.91 0.00 0.00 0.00 179.25 177.63 1y8h h ASN 139 N 0.56 0.79 -0.42 0.00 2.35 -1.00 -3.20 115.58 114.66 1y8h h ASN 139 Ca 0.10 -0.77 0.03 0.00 -0.55 0.00 0.00 56.30 55.11 1y8h h ASN 139 Cb 0.52 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 1y8h h ASN 139 CO 0.03 1.58 0.22 0.00 -1.65 0.00 0.00 177.43 177.62 1y8h h ALA 140 N 0.32 0.53 0.00 -0.83 0.00 -1.11 -1.45 119.26 116.72 1y8h h ALA 140 Ca -0.19 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1y8h h ALA 140 Cb 1.98 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1y8h h ALA 140 CO 0.24 -0.13 0.00 -0.07 0.00 0.00 0.00 179.25 179.30 1y8h h LEU 141 N 0.45 0.00 0.00 0.00 3.38 -1.55 -1.83 115.31 115.76 1y8h h LEU 141 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1y8h h LEU 141 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1y8h h LEU 141 CO -0.11 0.00 -1.01 0.00 0.09 0.00 0.00 178.44 177.41 1y8h n ALA 142 N -2.07 4.49 -0.17 1.53 0.00 -0.62 -4.56 120.51 119.11 1y8h n ALA 142 Ca -0.03 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1y8h n ALA 142 Cb 0.09 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1y8h n ALA 142 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1y8h n HIS 143 N -1.52 0.00 -0.41 0.00 -0.00 -0.69 -2.97 115.22 109.64 1y8h n HIS 143 Ca 0.03 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.65 1y8h n HIS 143 Cb 0.33 -0.41 -0.03 0.00 -0.00 0.00 0.00 29.99 29.87 1y8h n HIS 143 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 1y8h n LYS 144 N -2.03 1.07 -0.02 1.57 4.76 -1.26 -4.15 118.16 118.10 1y8h n LYS 144 Ca 0.00 -0.82 -0.02 0.00 -2.87 0.00 0.00 58.31 54.60 1y8h n LYS 144 Cb 0.00 -2.06 -0.01 0.00 -1.84 0.00 0.00 35.03 31.13 1y8h n LYS 144 CO 0.00 0.00 0.00 0.98 -1.37 0.00 0.00 177.40 177.01 1y8h n TYR 145 N 3.89 0.07 0.00 2.13 4.19 -1.16 -4.43 117.16 121.85 1y8h n TYR 145 Ca 0.23 0.03 0.00 0.00 3.31 0.00 0.00 57.90 61.47 1y8h n TYR 145 Cb 0.17 -0.20 0.00 0.00 0.49 0.00 0.00 39.34 39.80 1y8h n TYR 145 CO 0.00 0.00 0.00 -2.39 0.91 0.00 0.00 176.86 175.38