#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 4.25 -0.15 7.34 -2.07 -1.26 -4.88 119.66 122.88 1y8h s GLN 2 Ca 0.00 2.36 -0.14 0.00 -1.82 0.00 0.00 55.36 55.75 1y8h s GLN 2 Cb 0.00 -3.06 -0.11 0.00 -1.09 0.00 0.00 33.01 28.74 1y8h s GLN 2 CO 0.00 -0.40 0.14 -0.07 -1.32 0.00 0.00 175.29 173.64 1y8h h LEU 3 N 4.18 0.00 0.00 2.60 -0.00 -1.99 -3.51 115.31 116.60 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 0.72 0.96 0.00 -0.24 -0.00 0.00 0.00 178.44 179.88 1y8h n SER 4 N -4.59 0.00 -0.02 -0.43 2.88 -1.26 -4.96 113.62 105.23 1y8h n SER 4 Ca -0.14 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.25 1y8h n SER 4 Cb 0.37 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.71 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 0.18 0.85 0.46 0.00 -1.99 -2.90 103.07 99.67 1y8h h GLY 5 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 46.87 1y8h h GLY 5 CO 0.00 0.31 -0.32 -2.09 0.00 0.00 0.00 176.54 174.44 1y8h h GLU 6 N -0.56 0.52 0.06 4.80 4.81 -2.01 -3.12 114.58 119.08 1y8h h GLU 6 Ca -0.04 -0.33 -0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1y8h h GLU 6 Cb 1.09 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 1y8h h GLU 6 CO 0.06 0.94 -0.09 0.93 -0.73 0.00 0.00 179.01 180.11 1y8h h GLU 7 N 0.16 -0.15 -0.96 1.92 5.08 -1.94 -2.95 114.58 115.74 1y8h h GLU 7 Ca 0.01 0.01 0.34 0.00 -1.00 0.00 0.00 59.36 58.72 1y8h h GLU 7 Cb 0.92 0.03 -0.18 0.00 0.50 0.00 0.00 28.75 30.03 1y8h h GLU 7 CO 0.07 -0.10 0.29 1.17 -1.00 0.00 0.00 179.01 179.44 1y8h n LYS 8 N -2.90 -0.07 -0.27 2.33 4.81 -1.10 0.71 118.16 121.67 1y8h n LYS 8 Ca -0.02 1.38 0.02 0.00 -0.87 0.00 0.00 58.31 58.82 1y8h n LYS 8 Cb 0.08 -2.34 0.23 0.00 0.02 0.00 0.00 35.03 33.02 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 1.92 1.48 0.00 3.14 0.00 -1.45 -1.40 119.26 122.95 1y8h h ALA 9 Ca 0.71 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 55.47 1y8h h ALA 9 Cb 1.72 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1y8h h ALA 9 CO -0.82 0.44 -0.52 0.00 0.00 0.00 0.00 179.25 178.35 1y8h h ALA 10 N 1.50 0.74 -0.20 0.00 0.00 0.36 -2.69 119.26 118.97 1y8h h ALA 10 Ca 0.34 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.66 1y8h h ALA 10 Cb 0.04 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1y8h h ALA 10 CO -0.10 0.65 -0.33 0.28 0.00 0.00 0.00 179.25 179.75 1y8h h VAL 11 N 0.00 1.33 0.00 0.00 2.07 -0.55 -2.91 116.25 116.19 1y8h h VAL 11 Ca -0.01 -1.55 -0.07 0.00 0.82 0.00 0.00 66.70 65.90 1y8h h VAL 11 Cb 1.26 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.86 1y8h h VAL 11 CO 0.07 0.48 -0.32 -0.07 0.02 0.00 0.00 177.57 177.74 1y8h h LEU 12 N 0.25 0.00 -0.89 2.57 3.38 -1.44 -2.95 115.31 116.23 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 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1y8h h LEU 12 CO 0.08 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.93 1y8h h ALA 13 N 1.68 1.00 0.07 1.53 0.00 -1.36 -3.07 119.26 119.11 1y8h h ALA 13 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 1y8h h ALA 13 Cb 1.02 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.77 1y8h h ALA 13 CO 0.04 0.00 -2.20 -0.11 0.00 0.00 0.00 179.25 176.98 1y8h n LEU 14 N -2.60 2.76 0.31 0.00 7.94 -1.11 -4.16 117.00 120.14 1y8h n LEU 14 Ca 0.02 0.07 0.19 0.00 -1.11 0.00 0.00 56.01 55.18 1y8h n LEU 14 Cb 0.29 -1.02 1.02 0.00 0.53 0.00 0.00 43.42 44.24 1y8h n LEU 14 CO 0.24 0.89 1.11 -0.25 -1.11 0.00 0.00 177.39 178.27 1y8h h TRP 15 N 0.04 0.00 -0.30 1.96 2.91 -1.44 -0.71 115.95 118.40 1y8h h TRP 15 Ca -0.49 0.00 -0.15 0.00 1.13 0.00 0.00 58.89 59.38 1y8h h TRP 15 Cb 1.98 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 30.62 1y8h h TRP 15 CO 0.06 0.00 -0.41 -0.44 -1.03 0.00 0.00 178.44 176.62 1y8h h ASP 16 N 0.00 0.79 -0.03 2.65 5.19 -1.70 -2.89 116.42 120.43 1y8h h ASP 16 Ca 0.00 -0.36 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1y8h h ASP 16 Cb 0.14 -0.22 0.00 0.00 0.18 0.00 0.00 39.33 39.43 1y8h h ASP 16 CO 0.00 1.10 0.00 0.29 -3.12 0.00 0.00 179.24 177.51 1y8h n LYS 17 N -4.04 1.50 -2.58 3.56 5.02 -0.29 -4.87 118.16 116.47 1y8h n LYS 17 Ca -0.02 -0.73 -0.42 0.00 -2.02 0.00 0.00 58.31 55.12 1y8h n LYS 17 Cb 0.54 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 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 4.52 -1.24 -0.18 1.01 -1.09 -4.97 120.40 116.47 1y8h s VAL 18 Ca 0.39 1.82 -0.04 0.00 0.00 0.00 0.00 61.98 64.14 1y8h s VAL 18 Cb 0.20 -4.17 0.18 0.00 0.00 0.00 0.00 36.38 32.59 1y8h s VAL 18 CO 0.33 0.02 2.21 -3.20 0.00 0.00 0.00 175.10 174.46 1y8h n ASN 19 N 4.97 7.75 0.00 3.32 2.85 -1.26 -4.98 115.26 127.91 1y8h n ASN 19 Ca 0.10 -3.29 0.00 0.00 -0.11 0.00 0.00 54.58 51.28 1y8h n ASN 19 Cb 0.48 -1.31 0.00 0.00 1.24 0.00 0.00 39.78 40.18 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 1.33 0.00 -0.35 1.20 1.02 -1.26 -1.53 120.64 121.05 1y8h n GLU 20 Ca 0.57 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.84 1y8h n GLU 20 Cb 0.25 0.00 0.33 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 0.74 0.04 3.49 4.81 -1.93 -1.90 114.58 119.83 1y8h h GLU 21 Ca 0.00 -0.04 -0.28 0.00 -0.13 0.00 0.00 59.36 58.91 1y8h h GLU 21 Cb 0.00 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.19 1y8h h GLU 21 CO 0.00 0.49 -1.50 0.93 -0.73 0.00 0.00 179.01 178.20 1y8h h GLU 22 N 0.76 0.09 -0.76 1.92 5.08 -1.67 -3.24 114.58 116.76 1y8h h GLU 22 Ca 0.57 -0.16 0.07 0.00 -1.00 0.00 0.00 59.36 58.84 1y8h h GLU 22 Cb 0.89 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 30.14 1y8h h GLU 22 CO -0.36 1.08 0.44 0.28 -1.00 0.00 0.00 179.01 179.44 1y8h h VAL 23 N -0.64 0.96 0.00 3.13 2.07 -1.55 -2.22 116.25 118.00 1y8h h VAL 23 Ca -0.37 -0.27 -0.16 0.00 0.82 0.00 0.00 66.70 66.72 1y8h h VAL 23 Cb 1.55 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1y8h h VAL 23 CO -0.11 0.14 -0.74 1.23 0.02 0.00 0.00 177.57 178.11 1y8h h GLY 24 N 0.78 0.00 2.00 2.17 0.00 -1.54 -2.89 103.07 103.59 1y8h h GLY 24 Ca 0.35 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.58 1y8h h GLY 24 CO -0.20 0.00 -0.47 -1.33 0.00 0.00 0.00 176.54 174.53 1y8h h GLY 25 N 2.65 0.00 1.36 4.60 0.00 -1.49 -2.82 103.07 107.36 1y8h h GLY 25 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 1y8h h GLY 25 CO 0.10 0.00 -1.06 -2.09 0.00 0.00 0.00 176.54 173.49 1y8h h GLU 26 N 0.00 0.00 -0.08 4.80 4.81 -1.46 -3.06 114.58 119.58 1y8h h GLU 26 Ca -0.00 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.02 1y8h h GLU 26 Cb 1.14 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1y8h h GLU 26 CO 0.06 0.35 -0.79 0.00 -0.73 0.00 0.00 179.01 177.90 1y8h h ALA 27 N 1.48 0.46 0.01 2.92 0.00 -1.45 -0.53 119.26 122.16 1y8h h ALA 27 Ca -0.09 -0.62 -0.17 0.00 0.00 0.00 0.00 54.91 54.02 1y8h h ALA 27 Cb 1.48 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 19.25 1y8h h ALA 27 CO 0.05 0.75 -0.68 1.25 0.00 0.00 0.00 179.25 180.62 1y8h h LEU 28 N 0.35 0.57 -0.72 0.00 5.85 -1.61 -2.78 115.31 116.97 1y8h h LEU 28 Ca -0.05 -0.78 0.00 0.00 0.84 0.00 0.00 57.88 57.90 1y8h h LEU 28 Cb 1.39 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 1y8h h LEU 28 CO 0.14 1.28 0.46 1.23 -0.34 0.00 0.00 178.44 181.21 1y8h h GLY 29 N -0.07 1.03 0.91 3.75 0.00 -1.57 -1.03 103.07 106.09 1y8h h GLY 29 Ca -0.09 -0.40 0.04 0.00 0.00 0.00 0.00 47.33 46.88 1y8h h GLY 29 CO 0.13 0.39 0.63 3.21 0.00 0.00 0.00 176.54 180.91 1y8h h ARG 30 N 0.98 1.16 -0.36 4.80 -0.00 -1.12 -2.21 114.38 117.62 1y8h h ARG 30 Ca 0.26 -0.07 -0.16 0.00 -0.50 0.00 0.00 59.98 59.52 1y8h h ARG 30 Cb -0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 29.97 29.63 1y8h h ARG 30 CO -0.05 0.77 -0.39 1.25 0.00 0.00 0.00 179.97 181.54 1y8h h LEU 31 N 1.19 0.94 -1.14 3.04 5.85 -1.01 -1.51 115.31 122.67 1y8h h LEU 31 Ca 0.39 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 1y8h h LEU 31 Cb 0.04 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 1y8h h LEU 31 CO -0.12 1.21 -0.39 -0.07 -0.34 0.00 0.00 178.44 178.73 1y8h h LEU 32 N 0.72 0.00 0.06 2.25 3.38 -0.92 -2.72 115.31 118.08 1y8h h LEU 32 Ca 0.06 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 1y8h h LEU 32 Cb 0.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 1y8h h LEU 32 CO 0.09 0.39 -0.74 0.58 0.09 0.00 0.00 178.44 178.85 1y8h h VAL 33 N 0.00 1.40 -0.20 1.22 2.07 -1.28 -3.26 116.25 116.19 1y8h h VAL 33 Ca -0.00 -2.38 -0.14 0.00 0.82 0.00 0.00 66.70 65.00 1y8h h VAL 33 Cb 0.78 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.54 1y8h h VAL 33 CO 0.05 0.61 -0.40 0.58 0.02 0.00 0.00 177.57 178.42 1y8h h VAL 34 N -0.69 1.33 -2.79 2.57 2.07 -1.37 -3.36 116.25 114.01 1y8h h VAL 34 Ca -0.16 -1.63 -0.61 0.00 0.82 0.00 0.00 66.70 65.11 1y8h h VAL 34 Cb 1.39 1.86 -0.42 0.00 -1.52 0.00 0.00 31.29 32.60 1y8h h VAL 34 CO 0.01 0.51 -0.59 -1.22 0.02 0.00 0.00 177.57 176.30 1y8h n TYR 35 N -4.24 3.28 0.00 1.57 4.01 -1.03 -4.98 117.16 115.78 1y8h n TYR 35 Ca -0.06 -4.25 0.00 0.00 -0.16 0.00 0.00 57.90 53.44 1y8h n TYR 35 Cb 0.54 -0.59 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 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 1.62 0.00 0.00 -0.72 -0.04 -1.23 -2.45 135.00 132.19 1y8h n PRO 36 Ca 0.23 0.32 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 1y8h n PRO 36 Cb 0.37 -1.58 0.48 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.91 0.54 2.14 -1.26 -3.17 117.44 115.30 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 0.08 -0.38 0.43 0.00 -0.81 0.00 0.00 31.31 30.63 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 -1.46 0.10 0.17 -1.67 -2.24 -1.02 -3.13 114.28 105.03 1y8h n THR 38 Ca 0.07 -0.06 0.09 0.00 -2.27 0.00 0.00 64.05 61.88 1y8h n THR 38 Cb 0.33 -0.24 0.61 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.09 -0.18 -0.78 4.20 -1.77 -2.18 115.11 114.50 1y8h h GLN 39 Ca 0.00 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.76 1y8h h GLN 39 Cb 0.55 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.30 1y8h h GLN 39 CO 0.00 0.06 0.26 -0.09 -0.67 0.00 0.00 178.83 178.39 1y8h h ARG 40 N 0.10 0.00 -0.01 1.46 2.43 -1.77 -1.23 114.38 115.35 1y8h h ARG 40 Ca 0.07 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1y8h h ARG 40 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1y8h h ARG 40 CO -0.01 0.00 -0.27 1.19 -1.51 0.00 0.00 179.97 179.37 1y8h n PHE 41 N -3.53 0.00 -2.32 2.20 3.01 -0.82 -4.25 117.46 111.75 1y8h n PHE 41 Ca 0.02 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.31 1y8h n PHE 41 Cb 0.37 -0.13 0.03 0.00 -0.01 0.00 0.00 39.48 39.74 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 -0.70 2.29 -0.06 1.38 3.01 -0.47 -4.86 117.46 118.06 1y8h n PHE 42 Ca 0.12 -2.27 0.01 0.00 1.01 0.00 0.00 57.45 56.31 1y8h n PHE 42 Cb 0.35 -0.29 0.31 0.00 -0.01 0.00 0.00 39.48 39.83 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 2.36 0.60 0.10 4.37 3.32 -1.74 -2.31 116.42 123.12 1y8h h ASP 43 Ca 0.20 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1y8h h ASP 43 Cb 1.41 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1y8h h ASP 43 CO 0.58 0.54 0.00 -1.54 -1.72 0.00 0.00 179.24 177.10 1y8h n SER 44 N -4.36 0.00 0.05 6.45 3.41 -1.26 -1.87 113.62 116.04 1y8h n SER 44 Ca 0.04 -0.13 0.13 0.00 -0.26 0.00 0.00 58.87 58.64 1y8h n SER 44 Cb 0.15 -0.14 0.42 0.00 -0.26 0.00 0.00 64.21 64.38 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 0.49 0.00 7.33 3.01 -0.87 -5.03 117.46 121.25 1y8h n PHE 45 Ca 0.07 0.14 0.00 0.00 1.01 0.00 0.00 57.45 58.67 1y8h n PHE 45 Cb 0.06 -0.69 0.00 0.00 -0.01 0.00 0.00 39.48 38.84 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 1.39 0.83 3.66 1.37 0.00 -0.78 -4.84 105.19 106.82 1y8h n GLY 46 Ca 0.06 -1.56 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 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 7.10 -0.06 1.61 2.15 -1.26 -4.89 116.67 117.33 1y8h s ASP 47 Ca 0.00 1.38 0.08 0.00 0.43 0.00 0.00 52.55 54.44 1y8h s ASP 47 Cb 0.00 -2.54 0.12 0.00 -0.30 0.00 0.00 42.92 40.21 1y8h s ASP 47 CO 0.00 -0.65 1.03 0.18 -0.17 0.00 0.00 175.17 175.56 1y8h n LEU 48 N 6.21 1.16 -0.35 -1.34 4.77 -1.26 -4.36 117.00 121.83 1y8h n LEU 48 Ca 0.12 -1.90 0.02 0.00 -0.03 0.00 0.00 56.01 54.22 1y8h n LEU 48 Cb 0.46 -0.18 0.09 0.00 -2.33 0.00 0.00 43.42 41.45 1y8h n LEU 48 CO 0.52 0.45 0.63 0.28 -1.33 0.00 0.00 177.39 177.94 1y8h h SER 49 N 0.00 -1.13 -5.01 -1.43 0.02 -1.93 -3.44 113.55 100.63 1y8h h SER 49 Ca 0.00 0.29 -0.33 0.00 -0.84 0.00 0.00 61.79 60.91 1y8h h SER 49 Cb 1.13 0.66 -0.14 0.00 0.14 0.00 0.00 62.40 64.19 1y8h h SER 49 CO 0.00 -0.30 -0.60 0.54 -1.14 0.00 0.00 176.83 175.33 1y8h s ASN 50 N -5.29 0.94 0.61 3.07 2.20 -1.26 -5.04 114.94 110.16 1y8h s ASN 50 Ca -0.14 -1.45 0.31 0.00 -0.94 0.00 0.00 52.86 50.64 1y8h s ASN 50 Cb 0.23 0.31 1.79 0.00 -2.00 0.00 0.00 41.25 41.59 1y8h s ASN 50 CO 0.74 -0.82 2.15 1.55 -2.94 0.00 0.00 177.10 177.78 1y8h h PRO 51 N 2.41 0.00 0.03 3.55 0.13 -1.99 -2.22 132.00 133.92 1y8h h PRO 51 Ca -0.36 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.51 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 0.55 0.00 -1.04 0.78 -0.23 0.00 0.00 178.00 178.05 1y8h h GLY 52 N 0.00 0.72 1.64 1.56 0.00 -1.96 -2.54 103.07 102.49 1y8h h GLY 52 Ca 0.05 -1.33 -0.11 0.00 0.00 0.00 0.00 47.33 45.94 1y8h h GLY 52 CO -0.00 1.18 -0.36 0.00 0.00 0.00 0.00 176.54 177.35 1y8h h ALA 53 N 0.35 1.03 -0.02 3.60 0.00 -1.75 -2.88 119.26 119.59 1y8h h ALA 53 Ca -0.14 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.26 1y8h h ALA 53 Cb 1.71 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.40 1y8h h ALA 53 CO 0.20 0.60 -0.40 0.28 0.00 0.00 0.00 179.25 179.93 1y8h h VAL 54 N 0.34 1.46 -0.51 0.00 2.07 -1.51 -2.80 116.25 115.31 1y8h h VAL 54 Ca 0.04 -1.93 -0.08 0.00 0.82 0.00 0.00 66.70 65.55 1y8h h VAL 54 Cb 0.80 2.57 -0.02 0.00 -1.52 0.00 0.00 31.29 33.12 1y8h h VAL 54 CO 0.06 0.55 -0.00 0.24 0.02 0.00 0.00 177.57 178.44 1y8h h MET 55 N -0.25 0.87 -0.02 1.57 2.86 -1.50 -2.83 114.93 115.63 1y8h h MET 55 Ca -0.04 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.35 1y8h h MET 55 Cb 1.11 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.68 1y8h h MET 55 CO 0.08 0.87 0.00 0.41 1.06 0.00 0.00 176.91 179.33 1y8h n GLY 56 N -0.57 -0.41 3.72 8.32 0.00 -1.09 -4.87 105.19 110.28 1y8h n GLY 56 Ca 0.03 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.95 7.06 0.12 1.61 3.84 -1.05 -4.97 114.94 119.61 1y8h s ASN 57 Ca 0.41 2.07 -0.15 0.00 0.21 0.00 0.00 52.86 55.39 1y8h s ASN 57 Cb 0.21 -2.58 -0.02 0.00 -0.55 0.00 0.00 41.25 38.30 1y8h s ASN 57 CO 0.34 -0.47 1.59 -0.65 -2.79 0.00 0.00 177.10 175.12 1y8h h PRO 58 N 6.61 0.66 -0.44 0.43 0.11 -1.90 -2.90 132.00 134.57 1y8h h PRO 58 Ca -0.42 -0.19 -0.01 0.00 0.11 0.00 0.00 66.00 65.49 1y8h h PRO 58 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1y8h h PRO 58 CO 0.81 0.73 0.24 0.87 -0.21 0.00 0.00 178.00 180.43 1y8h h LYS 59 N 0.50 0.60 -0.21 1.05 1.79 -1.93 0.41 116.57 118.78 1y8h h LYS 59 Ca 0.12 -0.06 -0.20 0.00 -2.18 0.00 0.00 60.65 58.33 1y8h h LYS 59 Cb 0.40 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1y8h h LYS 59 CO 0.01 0.45 -0.67 0.28 -1.08 0.00 0.00 179.45 178.44 1y8h h VAL 60 N 0.61 1.28 -0.35 0.50 2.07 -1.88 0.51 116.25 118.99 1y8h h VAL 60 Ca 0.16 -1.87 -0.05 0.00 0.82 0.00 0.00 66.70 65.76 1y8h h VAL 60 Cb 0.03 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 31.61 1y8h h VAL 60 CO -0.03 0.60 0.01 0.50 0.02 0.00 0.00 177.57 178.67 1y8h h LYS 61 N 0.59 0.60 0.48 1.57 1.63 -1.24 -0.62 116.57 119.58 1y8h h LYS 61 Ca -0.02 -0.19 -0.02 0.00 -0.85 0.00 0.00 60.65 59.57 1y8h h LYS 61 Cb 1.29 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1y8h h LYS 61 CO 0.14 0.72 -0.23 0.00 -3.45 0.00 0.00 179.45 176.62 1y8h h ALA 62 N 0.86 -1.17 -0.96 5.00 0.00 -0.84 -2.61 119.26 119.54 1y8h h ALA 62 Ca 0.10 -0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.01 1y8h h ALA 62 Cb 0.44 0.26 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 1y8h h ALA 62 CO 0.02 -1.12 0.58 1.25 0.00 0.00 0.00 179.25 179.97 1y8h h HIS 63 N -0.65 1.04 -0.74 0.00 -0.00 -0.97 -1.12 115.15 112.71 1y8h h HIS 63 Ca -0.07 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.40 1y8h h HIS 63 Cb 0.50 -0.32 -0.05 0.00 -0.00 0.00 0.00 27.41 27.54 1y8h h HIS 63 CO 0.11 0.34 0.49 0.78 -0.00 0.00 0.00 177.93 179.65 1y8h h GLY 64 N 0.86 1.00 0.99 5.26 0.00 -1.08 -1.76 103.07 108.34 1y8h h GLY 64 Ca 0.50 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 1y8h h GLY 64 CO -0.31 0.24 0.15 1.70 0.00 0.00 0.00 176.54 178.33 1y8h h LYS 65 N 0.80 0.85 -0.60 4.80 3.64 -0.81 -1.96 116.57 123.30 1y8h h LYS 65 Ca 0.32 -0.19 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 1y8h h LYS 65 Cb 0.23 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 1y8h h LYS 65 CO -0.11 0.79 0.05 0.87 -2.27 0.00 0.00 179.45 178.79 1y8h h LYS 66 N 0.76 1.02 -0.83 1.90 1.57 -1.22 -1.02 116.57 118.74 1y8h h LYS 66 Ca 0.17 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.62 1y8h h LYS 66 Cb 0.31 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 1y8h h LYS 66 CO -0.00 0.98 0.40 0.28 -0.57 0.00 0.00 179.45 180.54 1y8h h VAL 67 N 0.92 1.26 -0.61 0.50 2.07 -1.20 -1.19 116.25 117.99 1y8h h VAL 67 Ca 0.18 -0.72 -0.07 0.00 0.82 0.00 0.00 66.70 66.90 1y8h h VAL 67 Cb 0.49 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 1y8h h VAL 67 CO 0.02 0.31 0.09 0.25 0.02 0.00 0.00 177.57 178.26 1y8h h LEU 68 N 1.19 0.96 -0.93 2.57 7.12 -1.04 -2.32 115.31 122.85 1y8h h LEU 68 Ca 0.29 -0.22 -0.05 0.00 0.13 0.00 0.00 57.88 58.02 1y8h h LEU 68 Cb 0.12 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 39.97 1y8h h LEU 68 CO -0.04 0.96 0.20 -0.74 -0.13 0.00 0.00 178.44 178.70 1y8h h HIS 69 N 0.94 1.01 -0.39 1.25 2.76 -0.67 -2.31 115.15 117.75 1y8h h HIS 69 Ca 0.19 -0.09 -0.05 0.00 -2.20 0.00 0.00 60.37 58.22 1y8h h HIS 69 Cb 0.42 -0.30 -0.02 0.00 1.55 0.00 0.00 27.41 29.07 1y8h h HIS 69 CO 0.03 0.81 0.03 1.03 -1.30 0.00 0.00 177.93 178.53 1y8h h SER 70 N 0.95 0.56 -0.23 3.26 0.87 -0.72 -2.53 113.55 115.71 1y8h h SER 70 Ca 0.21 -0.10 -0.03 0.00 -1.23 0.00 0.00 61.79 60.64 1y8h h SER 70 Cb 0.27 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 1y8h h SER 70 CO -0.01 0.61 0.01 -0.26 -0.53 0.00 0.00 176.83 176.65 1y8h h PHE 71 N 0.58 0.43 -0.87 2.24 -1.00 -0.92 -2.92 116.94 114.47 1y8h h PHE 71 Ca 0.12 -0.07 0.15 0.00 2.81 0.00 0.00 57.97 60.99 1y8h h PHE 71 Cb 0.32 -0.11 -0.10 0.00 3.61 0.00 0.00 35.95 39.67 1y8h h PHE 71 CO 0.01 0.56 0.46 0.78 -1.61 0.00 0.00 178.31 178.51 1y8h h GLY 72 N 0.17 1.44 1.84 -1.45 0.00 -1.10 0.98 103.07 104.95 1y8h h GLY 72 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1y8h h GLY 72 CO 0.01 -0.04 0.00 1.18 0.00 0.00 0.00 176.54 177.69 1y8h n GLU 73 N -4.86 0.03 -0.11 4.80 -0.58 -0.99 -1.50 120.64 117.44 1y8h n GLU 73 Ca 0.18 0.33 -0.17 0.00 -0.42 0.00 0.00 57.16 57.08 1y8h n GLU 73 Cb 0.46 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.73 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 -0.82 -0.31 0.20 0.62 0.00 0.30 -3.69 105.19 101.49 1y8h n GLY 74 Ca 0.02 -0.14 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 -0.12 0.00 0.00 1.61 2.07 0.59 -2.83 116.25 117.57 1y8h h VAL 75 Ca -0.50 0.00 -0.26 0.00 0.82 0.00 0.00 66.70 66.76 1y8h h VAL 75 Cb 1.72 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 1y8h h VAL 75 CO -0.12 0.00 -1.82 1.41 0.02 0.00 0.00 177.57 177.06 1y8h n HIS 76 N -2.42 0.06 -0.82 1.57 -0.00 -0.90 -4.56 115.22 108.15 1y8h n HIS 76 Ca -0.02 0.02 -0.10 0.00 -0.00 0.00 0.00 57.72 57.63 1y8h n HIS 76 Cb 0.06 -0.79 -0.03 0.00 -0.00 0.00 0.00 29.99 29.23 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 -4.35 0.56 -0.01 4.41 8.25 -1.14 -4.64 115.22 118.30 1y8h n HIS 77 Ca -0.36 -1.46 0.23 0.00 -0.26 0.00 0.00 57.72 55.87 1y8h n HIS 77 Cb 0.72 -0.95 0.61 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 3.42 0.00 -0.11 2.41 3.38 -1.75 0.19 115.31 122.86 1y8h h LEU 78 Ca 0.16 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 1y8h h LEU 78 Cb 1.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 1y8h h LEU 78 CO 0.34 0.00 -0.50 0.44 0.09 0.00 0.00 178.44 178.81 1y8h h ASP 79 N 0.00 0.00 -1.93 -0.43 5.19 -1.89 -3.29 116.42 114.07 1y8h h ASP 79 Ca 0.30 0.00 -0.55 0.00 -0.62 0.00 0.00 57.03 56.16 1y8h h ASP 79 Cb 1.84 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 40.93 1y8h h ASP 79 CO -0.00 0.50 -0.81 -3.20 -3.12 0.00 0.00 179.24 172.61 1y8h n ASN 80 N -3.26 3.66 0.02 6.45 4.05 0.67 -4.87 115.26 121.99 1y8h n ASN 80 Ca 0.02 -3.50 -0.06 0.00 0.45 0.00 0.00 54.58 51.49 1y8h n ASN 80 Cb 0.72 -0.54 0.13 0.00 1.23 0.00 0.00 39.78 41.31 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 2.88 0.51 0.00 1.20 4.07 -1.73 -2.10 115.31 120.15 1y8h h LEU 81 Ca 0.15 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1y8h h LEU 81 Cb 0.75 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.34 1y8h h LEU 81 CO 0.75 0.87 0.00 0.29 -1.08 0.00 0.00 178.44 179.27 1y8h n LYS 82 N -4.02 0.97 0.00 1.13 5.02 -1.26 -2.35 118.16 117.65 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 -1.37 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 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 0.82 0.08 0.15 0.72 0.00 -1.18 -4.20 105.19 101.58 1y8h n GLY 83 Ca 0.17 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.26 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 0.37 -0.18 2.61 2.02 -1.33 -3.30 112.91 113.10 1y8h h THR 84 Ca 0.00 -1.56 0.00 0.00 0.77 0.00 0.00 66.41 65.62 1y8h h THR 84 Cb 0.00 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1y8h h THR 84 CO 0.00 0.21 0.00 0.49 0.37 0.00 0.00 175.52 176.59 1y8h n PHE 85 N -3.03 0.26 -0.24 3.16 3.01 -0.99 -4.77 117.46 114.86 1y8h n PHE 85 Ca 0.00 -0.52 0.04 0.00 1.01 0.00 0.00 57.45 57.98 1y8h n PHE 85 Cb 0.65 -0.05 0.15 0.00 -0.01 0.00 0.00 39.48 40.23 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 1.06 0.82 0.01 4.37 0.00 -1.73 0.08 119.26 123.87 1y8h h ALA 86 Ca 0.00 0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.97 1y8h h ALA 86 Cb 0.65 0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1y8h h ALA 86 CO 0.01 -0.38 -0.53 0.00 0.00 0.00 0.00 179.25 178.35 1y8h h ALA 87 N 1.63 0.05 -0.90 0.00 0.00 -1.86 -3.13 119.26 115.05 1y8h h ALA 87 Ca 0.39 -0.56 0.09 0.00 0.00 0.00 0.00 54.91 54.83 1y8h h ALA 87 Cb 0.67 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.42 1y8h h ALA 87 CO -0.56 0.28 0.55 -0.07 0.00 0.00 0.00 179.25 179.45 1y8h h LEU 88 N -0.24 0.82 -0.26 0.00 3.38 -1.83 -0.32 115.31 116.85 1y8h h LEU 88 Ca -0.07 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.00 1y8h h LEU 88 Cb 1.27 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.82 1y8h h LEU 88 CO 0.10 0.48 -0.22 -1.28 0.09 0.00 0.00 178.44 177.62 1y8h h SER 89 N 0.93 -0.70 -0.19 -0.43 0.87 -1.02 -0.15 113.55 112.86 1y8h h SER 89 Ca 0.42 0.13 0.01 0.00 -1.23 0.00 0.00 61.79 61.12 1y8h h SER 89 Cb 0.33 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 62.62 1y8h h SER 89 CO -0.23 -0.25 0.13 -0.08 -0.53 0.00 0.00 176.83 175.87 1y8h h GLU 90 N -0.21 0.23 -0.02 2.24 4.81 -1.04 -1.24 114.58 119.36 1y8h h GLU 90 Ca 0.14 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.34 1y8h h GLU 90 Cb 0.43 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.76 1y8h h GLU 90 CO -0.38 0.15 -0.05 1.25 -0.73 0.00 0.00 179.01 179.25 1y8h h LEU 91 N 0.24 0.07 -0.87 1.64 5.85 -0.08 -3.22 115.31 118.94 1y8h h LEU 91 Ca 0.07 -0.62 0.00 0.00 0.84 0.00 0.00 57.88 58.17 1y8h h LEU 91 Cb 0.01 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1y8h h LEU 91 CO -0.02 0.68 0.00 0.45 -0.34 0.00 0.00 178.44 179.21 1y8h h HIS 92 N -0.53 0.00 0.00 1.25 3.86 -0.93 -1.03 115.15 117.76 1y8h h HIS 92 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1y8h h HIS 92 Cb 0.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 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 -1.78 -2.14 116.42 115.81 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 -0.20 0.11 -1.72 0.00 0.00 179.24 177.76 1y8h h LYS 95 N 0.00 0.00 0.02 3.56 1.79 -1.58 -3.42 116.57 116.94 1y8h h LYS 95 Ca -0.00 0.00 -0.23 0.00 -2.18 0.00 0.00 60.65 58.24 1y8h h LYS 95 Cb 1.05 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.67 1y8h h LYS 95 CO 0.04 0.00 -1.10 -0.07 -1.08 0.00 0.00 179.45 177.24 1y8h h LEU 96 N -0.64 0.06 -1.48 2.94 3.38 -1.37 -3.49 115.31 114.72 1y8h h LEU 96 Ca 0.00 -0.07 -0.20 0.00 0.09 0.00 0.00 57.88 57.70 1y8h h LEU 96 Cb 0.20 -0.02 0.09 0.00 0.09 0.00 0.00 40.66 41.02 1y8h h LEU 96 CO 0.00 1.05 -0.41 1.41 0.09 0.00 0.00 178.44 180.58 1y8h n HIS 97 N -3.35 -1.36 -3.14 1.13 8.25 -0.81 -5.00 115.22 110.94 1y8h n HIS 97 Ca -0.03 0.54 -0.39 0.00 -0.26 0.00 0.00 57.72 57.58 1y8h n HIS 97 Cb 0.96 -3.55 -0.06 0.00 1.12 0.00 0.00 29.99 28.46 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 -3.19 4.60 0.33 1.59 1.01 -0.45 -5.03 120.40 119.27 1y8h s VAL 98 Ca 0.12 1.44 -0.27 0.00 0.00 0.00 0.00 61.98 63.26 1y8h s VAL 98 Cb -0.05 -4.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 1y8h s VAL 98 CO 0.41 0.52 1.11 -0.62 0.00 0.00 0.00 175.10 176.52 1y8h s ASP 99 N -1.00 6.97 0.44 3.32 -1.08 -1.26 -4.80 116.67 119.26 1y8h s ASP 99 Ca 0.32 2.26 0.30 0.00 -0.52 0.00 0.00 52.55 54.91 1y8h s ASP 99 Cb -0.21 -2.62 1.46 0.00 -1.46 0.00 0.00 42.92 40.09 1y8h s ASP 99 CO 0.22 -0.35 1.92 -0.65 0.52 0.00 0.00 175.17 176.82 1y8h h PRO 100 N 3.25 0.00 0.00 4.34 0.11 -1.96 -2.73 132.00 135.01 1y8h h PRO 100 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1y8h h PRO 100 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 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 -2.70 114.58 115.54 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 0.23 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 1y8h h GLU 101 CO 0.00 0.00 -1.00 -0.91 -1.18 0.00 0.00 179.01 175.92 1y8h h ASN 102 N 0.00 0.17 -0.85 1.04 2.35 -1.88 -2.98 115.58 113.43 1y8h h ASN 102 Ca 0.00 -0.16 0.06 0.00 -0.55 0.00 0.00 56.30 55.65 1y8h h ASN 102 Cb 0.43 -0.05 -0.06 0.00 0.05 0.00 0.00 38.32 38.68 1y8h h ASN 102 CO 0.00 1.06 0.52 -0.26 -1.65 0.00 0.00 177.43 177.10 1y8h h PHE 103 N 0.05 0.97 -0.00 1.19 0.04 -1.65 -2.06 116.94 115.48 1y8h h PHE 103 Ca -0.05 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.77 1y8h h PHE 103 Cb 1.70 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 39.50 1y8h h PHE 103 CO 0.02 0.48 -0.41 0.00 -0.60 0.00 0.00 178.31 177.80 1y8h h ARG 104 N 0.95 -0.50 -0.05 1.51 2.47 -1.58 -2.54 114.38 114.64 1y8h h ARG 104 Ca 0.37 0.03 0.02 0.00 -1.26 0.00 0.00 59.98 59.15 1y8h h ARG 104 Cb 0.19 0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.58 1y8h h ARG 104 CO -0.18 -0.33 -0.39 -0.07 0.56 0.00 0.00 179.97 179.56 1y8h h LEU 105 N -0.51 -1.21 -1.74 3.04 3.38 -1.24 -1.29 115.31 115.73 1y8h h LEU 105 Ca 0.01 0.14 0.28 0.00 0.09 0.00 0.00 57.88 58.40 1y8h h LEU 105 Cb 0.55 0.47 -0.06 0.00 0.09 0.00 0.00 40.66 41.71 1y8h h LEU 105 CO -0.28 -0.36 0.70 0.25 0.09 0.00 0.00 178.44 178.85 1y8h h LEU 106 N -0.44 0.19 0.01 1.67 5.85 -1.45 0.33 115.31 121.47 1y8h h LEU 106 Ca 0.02 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1y8h h LEU 106 Cb 0.50 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1y8h h LEU 106 CO -0.29 0.05 -0.01 1.23 -0.34 0.00 0.00 178.44 179.08 1y8h h GLY 107 N 0.18 -0.02 1.45 3.75 0.00 -0.81 -0.85 103.07 106.75 1y8h h GLY 107 Ca 0.52 0.01 -0.11 0.00 0.00 0.00 0.00 47.33 47.75 1y8h h GLY 107 CO -0.12 -0.01 -0.26 3.43 0.00 0.00 0.00 176.54 179.59 1y8h h ASN 108 N -0.32 0.65 -0.46 0.19 2.35 -0.28 -2.73 115.58 114.99 1y8h h ASN 108 Ca -0.00 -0.24 -0.09 0.00 -0.55 0.00 0.00 56.30 55.42 1y8h h ASN 108 Cb 0.31 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1y8h h ASN 108 CO 0.00 0.88 -0.03 0.58 -1.65 0.00 0.00 177.43 177.21 1y8h h VAL 109 N 0.55 1.26 -0.62 2.81 2.07 -1.03 0.36 116.25 121.65 1y8h h VAL 109 Ca 0.07 -1.11 0.07 0.00 0.82 0.00 0.00 66.70 66.55 1y8h h VAL 109 Cb 0.73 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1y8h h VAL 109 CO 0.06 0.39 0.41 0.25 0.02 0.00 0.00 177.57 178.70 1y8h h LEU 110 N 0.82 0.50 0.02 2.57 6.46 -0.86 -0.94 115.31 123.87 1y8h h LEU 110 Ca 0.15 0.00 -0.22 0.00 -0.12 0.00 0.00 57.88 57.69 1y8h h LEU 110 Cb 0.53 -0.10 0.02 0.00 -0.73 0.00 0.00 40.66 40.38 1y8h h LEU 110 CO 0.03 0.32 -0.87 0.58 -0.62 0.00 0.00 178.44 177.88 1y8h h VAL 111 N 0.57 1.35 -0.14 1.05 2.07 -1.00 -2.17 116.25 117.97 1y8h h VAL 111 Ca 0.27 -2.21 -0.02 0.00 0.82 0.00 0.00 66.70 65.57 1y8h h VAL 111 Cb 0.34 2.54 -0.01 0.00 -1.52 0.00 0.00 31.29 32.64 1y8h h VAL 111 CO -0.08 0.66 0.01 0.58 0.02 0.00 0.00 177.57 178.76 1y8h h VAL 112 N 0.14 1.09 -0.02 2.57 2.07 -0.44 -1.28 116.25 120.38 1y8h h VAL 112 Ca -0.11 -0.33 -0.19 0.00 0.82 0.00 0.00 66.70 66.88 1y8h h VAL 112 Cb 1.55 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1y8h h VAL 112 CO 0.17 0.11 -0.75 0.58 0.02 0.00 0.00 177.57 177.70 1y8h h VAL 113 N 0.20 1.36 0.00 2.57 2.07 -1.18 -2.71 116.25 118.57 1y8h h VAL 113 Ca 0.05 -2.10 -0.02 0.00 0.82 0.00 0.00 66.70 65.45 1y8h h VAL 113 Cb 0.12 2.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1y8h h VAL 113 CO 0.00 0.63 -0.08 -0.07 0.02 0.00 0.00 177.57 178.07 1y8h h LEU 114 N 0.12 0.00 0.11 2.57 3.38 -0.89 -1.81 115.31 118.78 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 1.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.18 1y8h h LEU 114 CO 0.15 0.08 -0.05 0.00 0.09 0.00 0.00 178.44 178.71 1y8h h ALA 115 N 1.92 -0.14 -0.47 1.53 0.00 -1.16 -2.52 119.26 118.42 1y8h h ALA 115 Ca -0.00 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.72 1y8h h ALA 115 Cb 0.19 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1y8h h ALA 115 CO 0.01 -0.30 0.32 -0.09 0.00 0.00 0.00 179.25 179.19 1y8h h ARG 116 N -0.70 0.40 0.05 0.00 2.43 -1.13 -1.93 114.38 113.51 1y8h h ARG 116 Ca -0.01 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.03 1y8h h ARG 116 Cb 0.54 -0.09 0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1y8h h ARG 116 CO 0.02 0.27 -0.42 0.45 -1.51 0.00 0.00 179.97 178.78 1y8h h HIS 117 N 0.41 0.32 -0.08 2.20 3.86 -1.37 -3.37 115.15 117.13 1y8h h HIS 117 Ca 0.20 -0.21 0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1y8h h HIS 117 Cb 0.28 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.73 1y8h h HIS 117 CO -0.00 1.11 0.00 1.19 0.86 0.00 0.00 177.93 181.09 1y8h n PHE 118 N -4.37 0.08 -1.31 2.45 3.72 -0.95 -5.04 117.46 112.04 1y8h n PHE 118 Ca -0.11 -0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.25 1y8h n PHE 118 Cb 0.63 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.17 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 1.22 2.25 0.00 1.37 0.00 -0.73 -2.43 105.19 106.87 1y8h n GLY 119 Ca 0.18 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.06 1.61 5.02 -1.26 -1.14 118.16 136.45 1y8h n LYS 120 Ca 0.00 0.19 0.12 0.00 -2.02 0.00 0.00 58.31 56.60 1y8h n LYS 120 Cb 0.00 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.59 1y8h n LYS 120 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1y8h n ASP 121 N -1.19 0.69 -4.39 4.39 8.00 -1.02 -4.33 116.55 118.70 1y8h n ASP 121 Ca 0.00 0.06 -0.44 0.00 0.71 0.00 0.00 54.79 55.13 1y8h n ASP 121 Cb 0.00 0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 1y8h n ASP 121 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1y8h n PHE 122 N -2.19 4.62 -2.31 1.24 7.35 -0.29 -4.97 117.46 120.90 1y8h n PHE 122 Ca 0.02 -3.17 -0.36 0.00 -0.76 0.00 0.00 57.45 53.18 1y8h n PHE 122 Cb 0.47 -2.27 -0.01 0.00 0.35 0.00 0.00 39.48 38.02 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 2.02 3.24 0.49 -2.13 -4.23 -1.26 -4.79 115.64 108.98 1y8h s THR 123 Ca 0.45 0.86 0.31 0.00 -1.18 0.00 0.00 61.69 62.12 1y8h s THR 123 Cb 0.01 -3.39 0.50 0.00 1.34 0.00 0.00 72.50 70.95 1y8h s THR 123 CO 0.02 -0.09 1.78 1.55 -0.54 0.00 0.00 174.62 177.34 1y8h h PRO 124 N 1.71 0.12 -0.25 3.99 0.13 -1.95 0.19 132.00 135.95 1y8h h PRO 124 Ca -0.50 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 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 0.08 -0.12 0.93 -0.23 0.00 0.00 178.00 179.25 1y8h h GLU 125 N 0.13 0.52 -0.33 0.86 3.07 -1.99 -2.08 114.58 114.76 1y8h h GLU 125 Ca 0.59 -0.23 -0.02 0.00 -0.50 0.00 0.00 59.36 59.21 1y8h h GLU 125 Cb 2.06 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.94 1y8h h GLU 125 CO -0.12 0.78 0.14 1.25 -1.40 0.00 0.00 179.01 179.66 1y8h h LEU 126 N 0.24 0.44 -1.42 1.33 5.85 -1.05 -2.41 115.31 118.29 1y8h h LEU 126 Ca 0.06 -0.15 0.13 0.00 0.84 0.00 0.00 57.88 58.75 1y8h h LEU 126 Cb 0.62 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.48 1y8h h LEU 126 CO 0.04 0.47 0.53 -0.61 -0.34 0.00 0.00 178.44 178.53 1y8h h GLN 127 N 0.38 0.58 -0.48 1.25 4.15 -1.05 0.17 115.11 120.12 1y8h h GLN 127 Ca 0.11 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.48 1y8h h GLN 127 Cb 0.16 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 1y8h h GLN 127 CO -0.01 0.38 0.24 0.00 -1.93 0.00 0.00 178.83 177.51 1y8h h ALA 128 N 1.62 0.61 0.64 3.38 0.00 -0.88 -0.07 119.26 124.56 1y8h h ALA 128 Ca 0.39 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1y8h h ALA 128 Cb 0.69 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1y8h h ALA 128 CO -0.15 0.16 -0.38 0.77 0.00 0.00 0.00 179.25 179.65 1y8h h SER 129 N 0.63 -0.95 -0.78 0.00 0.02 -0.70 -2.49 113.55 109.28 1y8h h SER 129 Ca 0.16 0.05 0.18 0.00 -0.84 0.00 0.00 61.79 61.34 1y8h h SER 129 Cb 0.10 0.28 -0.05 0.00 0.14 0.00 0.00 62.40 62.86 1y8h h SER 129 CO -0.02 -0.60 0.53 1.88 -1.14 0.00 0.00 176.83 177.47 1y8h h TYR 130 N -0.96 0.38 0.00 3.45 0.05 -1.25 -0.83 116.97 117.82 1y8h h TYR 130 Ca -0.08 0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 1y8h h TYR 130 Cb 0.77 -0.12 -0.00 0.00 1.01 0.00 0.00 36.73 38.39 1y8h h TYR 130 CO -0.09 0.13 -0.02 1.96 -1.05 0.00 0.00 178.16 179.09 1y8h h GLN 131 N 0.31 0.00 0.06 4.88 1.08 -0.53 -1.60 115.11 119.32 1y8h h GLN 131 Ca 0.39 0.00 -0.35 0.00 -1.45 0.00 0.00 58.65 57.23 1y8h h GLN 131 Cb 1.05 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.44 1y8h h GLN 131 CO -0.11 0.02 -2.01 0.36 -0.95 0.00 0.00 178.83 176.14 1y8h n LYS 132 N -4.03 0.68 0.00 1.46 2.85 -0.38 -2.75 118.16 115.99 1y8h n LYS 132 Ca -0.03 0.30 0.01 0.00 -1.05 0.00 0.00 58.31 57.55 1y8h n LYS 132 Cb 0.10 -1.65 0.06 0.00 -0.65 0.00 0.00 35.03 32.89 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 -3.73 0.00 -0.03 0.58 0.31 -0.83 -0.84 118.33 113.79 1y8h n VAL 133 Ca -0.38 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 63.90 1y8h n VAL 133 Cb 0.94 -0.75 -0.02 0.00 -0.91 0.00 0.00 33.84 33.10 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 0.33 0.25 2.52 3.14 -0.63 -4.53 118.33 118.61 1y8h n VAL 134 Ca 0.02 -0.10 0.08 0.00 -2.96 0.00 0.00 64.34 61.37 1y8h n VAL 134 Cb 0.01 -1.16 0.61 0.00 -1.06 0.00 0.00 33.84 32.24 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 1.79 -0.36 1.55 0.00 -0.79 -1.73 119.26 119.59 1y8h h ALA 135 Ca -0.14 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.53 1y8h h ALA 135 Cb 1.17 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1y8h h ALA 135 CO -0.06 0.11 -0.40 0.78 0.00 0.00 0.00 179.25 179.67 1y8h h GLY 136 N 0.28 0.99 1.48 0.00 0.00 -1.25 -2.20 103.07 102.37 1y8h h GLY 136 Ca -0.00 -1.04 -0.09 0.00 0.00 0.00 0.00 47.33 46.20 1y8h h GLY 136 CO 0.01 0.93 -0.16 -2.08 0.00 0.00 0.00 176.54 175.25 1y8h h VAL 137 N 0.71 1.25 -0.31 4.60 2.07 -1.65 -0.44 116.25 122.49 1y8h h VAL 137 Ca 0.05 -1.16 -0.09 0.00 0.82 0.00 0.00 66.70 66.32 1y8h h VAL 137 Cb 1.00 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 1y8h h VAL 137 CO 0.10 0.38 -0.17 0.00 0.02 0.00 0.00 177.57 177.90 1y8h h ALA 138 N 1.27 1.13 0.14 1.67 0.00 -1.17 -2.72 119.26 119.59 1y8h h ALA 138 Ca 0.09 -0.31 -0.30 0.00 0.00 0.00 0.00 54.91 54.39 1y8h h ALA 138 Cb 0.59 -0.14 0.03 0.00 0.00 0.00 0.00 17.79 18.27 1y8h h ALA 138 CO 0.04 0.54 -1.28 -0.91 0.00 0.00 0.00 179.25 177.64 1y8h h ASN 139 N 0.50 0.84 -0.37 0.00 2.35 -0.98 -3.20 115.58 114.72 1y8h h ASN 139 Ca 0.08 -0.80 0.04 0.00 -0.55 0.00 0.00 56.30 55.07 1y8h h ASN 139 Cb 0.58 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.65 1y8h h ASN 139 CO 0.04 1.61 0.14 0.00 -1.65 0.00 0.00 177.43 177.56 1y8h h ALA 140 N 0.30 0.43 0.00 -0.83 0.00 -1.06 -1.43 119.26 116.67 1y8h h ALA 140 Ca -0.20 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1y8h h ALA 140 Cb 1.96 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1y8h h ALA 140 CO 0.24 -0.25 0.00 -0.07 0.00 0.00 0.00 179.25 179.17 1y8h h LEU 141 N 0.29 0.00 0.00 0.00 3.38 -1.55 -1.89 115.31 115.54 1y8h h LEU 141 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1y8h h LEU 141 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1y8h h LEU 141 CO -0.16 0.00 -1.10 0.00 0.09 0.00 0.00 178.44 177.27 1y8h n ALA 142 N -2.05 4.25 -0.24 1.53 0.00 -0.61 -4.56 120.51 118.83 1y8h n ALA 142 Ca -0.03 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.87 1y8h n ALA 142 Cb 0.08 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 -1.59 0.00 -0.40 0.00 -0.00 -0.71 -2.87 115.22 109.65 1y8h n HIS 143 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.65 1y8h n HIS 143 Cb 0.34 -0.38 -0.03 0.00 -0.00 0.00 0.00 29.99 29.92 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 -1.97 1.01 -0.02 1.57 4.76 -1.26 -4.14 118.16 118.10 1y8h n LYS 144 Ca 0.00 -0.77 -0.02 0.00 -2.87 0.00 0.00 58.31 54.66 1y8h n LYS 144 Cb 0.00 -2.02 -0.01 0.00 -1.84 0.00 0.00 35.03 31.16 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 3.82 0.08 0.00 2.13 4.19 -1.14 -4.43 117.16 121.81 1y8h n TYR 145 Ca 0.21 0.03 0.00 0.00 3.31 0.00 0.00 57.90 61.46 1y8h n TYR 145 Cb 0.17 -0.21 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