#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y8h s LEU 2 N 0.00 4.17 0.00 1.34 1.43 -1.26 -5.06 118.68 119.30 1y8h s LEU 2 Ca 0.00 0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 53.79 1y8h s LEU 2 Cb 0.00 -2.83 0.18 0.00 0.03 0.00 0.00 46.19 43.57 1y8h s LEU 2 CO 0.00 -0.20 0.68 -0.24 0.23 0.00 0.00 176.35 176.82 1y8h n SER 3 N 4.73 -1.45 -0.03 2.29 2.88 -1.26 -4.89 113.62 115.88 1y8h n SER 3 Ca -0.03 -0.95 -0.15 0.00 -1.33 0.00 0.00 58.87 56.41 1y8h n SER 3 Cb 0.50 -0.61 -0.09 0.00 -0.75 0.00 0.00 64.21 63.26 1y8h n SER 3 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y8h h ALA 4 N -2.38 0.15 0.00 -1.46 0.00 -2.01 -3.12 119.26 110.45 1y8h h ALA 4 Ca -0.25 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1y8h h ALA 4 Cb 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1y8h h ALA 4 CO 0.17 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.63 1y8h n ALA 5 N -2.51 2.23 -0.01 0.00 0.00 -1.26 -2.95 120.51 116.01 1y8h n ALA 5 Ca -0.08 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.16 1y8h n ALA 5 Cb 0.50 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.40 1y8h n ALA 5 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1y8h h ASP 6 N 0.00 0.58 0.12 0.00 3.32 -1.93 -2.16 116.42 116.35 1y8h h ASP 6 Ca 0.00 -0.71 0.02 0.00 0.02 0.00 0.00 57.03 56.36 1y8h h ASP 6 Cb 0.65 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 1y8h h ASP 6 CO 0.00 1.21 -0.27 0.11 -1.72 0.00 0.00 179.24 178.56 1y8h h LYS 7 N 0.01 -0.47 -0.73 3.56 1.57 -1.47 0.39 116.57 119.44 1y8h h LYS 7 Ca -0.06 0.03 0.07 0.00 -1.87 0.00 0.00 60.65 58.83 1y8h h LYS 7 Cb 1.25 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 33.61 1y8h h LYS 7 CO 0.12 -0.31 0.41 1.79 -0.57 0.00 0.00 179.45 180.88 1y8h h THR 8 N -0.48 0.94 -0.16 -0.16 1.35 -1.57 -0.15 112.91 112.68 1y8h h THR 8 Ca 0.03 -0.25 0.02 0.00 -0.55 0.00 0.00 66.41 65.66 1y8h h THR 8 Cb 0.51 0.15 -0.02 0.00 -1.73 0.00 0.00 68.15 67.06 1y8h h THR 8 CO -0.16 0.13 0.02 0.78 -0.25 0.00 0.00 175.52 176.04 1y8h h ASN 9 N 0.73 -0.02 0.60 5.36 -0.26 -0.84 -2.04 115.58 119.11 1y8h h ASN 9 Ca 0.34 0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 56.08 1y8h h ASN 9 Cb 0.25 0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 37.55 1y8h h ASN 9 CO -0.21 0.01 -0.38 0.58 -1.06 0.00 0.00 177.43 176.38 1y8h h VAL 10 N 0.08 0.00 -0.92 2.81 2.07 -0.07 0.18 116.25 120.39 1y8h h VAL 10 Ca 0.07 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.84 1y8h h VAL 10 Cb 0.08 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.71 1y8h h VAL 10 CO -0.11 0.00 0.37 0.11 0.02 0.00 0.00 177.57 177.97 1y8h h LYS 11 N -0.92 0.30 -0.13 1.57 1.57 -1.02 -0.27 116.57 117.66 1y8h h LYS 11 Ca -0.08 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.45 1y8h h LYS 11 Cb 0.74 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.99 1y8h h LYS 11 CO 0.08 0.20 -0.81 0.00 -0.57 0.00 0.00 179.45 178.34 1y8h h ALA 12 N 1.78 0.30 -0.47 3.86 0.00 -1.24 -3.00 119.26 120.48 1y8h h ALA 12 Ca 0.60 -0.61 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 1y8h h ALA 12 Cb 1.24 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1y8h h ALA 12 CO -0.60 0.69 -0.05 0.00 0.00 0.00 0.00 179.25 179.28 1y8h h ALA 13 N 0.56 1.02 0.00 0.00 0.00 0.87 -2.62 119.26 119.08 1y8h h ALA 13 Ca -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1y8h h ALA 13 Cb 1.44 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1y8h h ALA 13 CO 0.16 0.60 0.00 1.87 0.00 0.00 0.00 179.25 181.88 1y8h n TRP 14 N -4.18 0.54 0.12 0.00 -0.00 -0.26 -2.45 117.44 111.20 1y8h n TRP 14 Ca 0.02 0.17 0.03 0.00 -0.00 0.00 0.00 57.50 57.72 1y8h n TRP 14 Cb 0.34 -0.78 0.01 0.00 -0.00 0.00 0.00 31.31 30.88 1y8h n TRP 14 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 1y8h h SER 15 N 0.00 0.00 0.96 5.87 4.64 -1.32 -2.86 113.55 120.84 1y8h h SER 15 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1y8h h SER 15 Cb 0.55 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.61 1y8h h SER 15 CO 0.00 0.48 -0.75 0.11 -0.87 0.00 0.00 176.83 175.81 1y8h h LYS 16 N 0.00 0.00 -0.51 4.77 1.57 -1.42 -2.77 116.57 118.21 1y8h h LYS 16 Ca -0.03 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1y8h h LYS 16 Cb 1.40 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.68 1y8h h LYS 16 CO 0.06 0.75 0.09 0.28 -0.57 0.00 0.00 179.45 180.06 1y8h h VAL 17 N 0.00 1.25 0.00 0.50 2.07 -1.46 -3.46 116.25 115.14 1y8h h VAL 17 Ca -0.01 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1y8h h VAL 17 Cb 1.43 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 1y8h h VAL 17 CO 0.10 0.33 0.00 0.61 0.02 0.00 0.00 177.57 178.63 1y8h n GLY 18 N -0.55 2.41 1.09 2.17 0.00 -1.05 -2.69 105.19 106.57 1y8h n GLY 18 Ca 0.01 0.18 0.08 0.00 0.00 0.00 0.00 46.02 46.30 1y8h n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1y8h n GLY 19 N 0.00 3.02 0.83 -0.02 0.00 -1.26 -4.29 105.19 103.46 1y8h n GLY 19 Ca 0.00 -0.72 0.13 0.00 0.00 0.00 0.00 46.02 45.42 1y8h n GLY 19 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1y8h n HIS 20 N 0.60 0.02 -0.26 1.61 8.25 -1.09 -4.38 115.22 119.96 1y8h n HIS 20 Ca 0.20 -0.01 -0.06 0.00 -0.26 0.00 0.00 57.72 57.59 1y8h n HIS 20 Cb 0.71 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.81 1y8h n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y8h h ALA 21 N 4.60 -0.16 -0.39 -1.41 0.00 -1.76 0.12 119.26 120.26 1y8h h ALA 21 Ca 0.00 0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1y8h h ALA 21 Cb 0.85 0.95 -0.09 0.00 0.00 0.00 0.00 17.79 19.51 1y8h h ALA 21 CO 0.00 -0.75 -0.23 0.78 0.00 0.00 0.00 179.25 179.05 1y8h h GLY 22 N -0.15 -0.00 0.42 0.00 0.00 -1.87 -0.67 103.07 100.80 1y8h h GLY 22 Ca 0.23 0.29 0.09 0.00 0.00 0.00 0.00 47.33 47.94 1y8h h GLY 22 CO -0.77 -0.20 0.25 0.83 0.00 0.00 0.00 176.54 176.65 1y8h h GLU 23 N -0.17 0.43 -0.49 4.80 5.08 -1.17 -2.71 114.58 120.36 1y8h h GLU 23 Ca 0.19 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.39 1y8h h GLU 23 Cb 0.46 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1y8h h GLU 23 CO -0.49 0.29 -0.21 1.88 -1.00 0.00 0.00 179.01 179.48 1y8h h TYR 24 N 0.44 1.16 0.00 4.33 0.05 0.01 -2.19 116.97 120.77 1y8h h TYR 24 Ca 0.31 -0.28 -0.06 0.00 0.05 0.00 0.00 58.73 58.75 1y8h h TYR 24 Cb 0.36 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.82 1y8h h TYR 24 CO -0.15 1.11 -0.30 0.78 -1.05 0.00 0.00 178.16 178.55 1y8h h GLY 25 N 0.87 0.00 0.90 3.88 0.00 -1.02 0.23 103.07 107.93 1y8h h GLY 25 Ca 0.11 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.32 1y8h h GLY 25 CO 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 176.54 176.24 1y8h h ALA 26 N 1.70 0.29 -0.01 3.60 0.00 -1.23 -2.16 119.26 121.45 1y8h h ALA 26 Ca -0.00 -0.44 -0.18 0.00 0.00 0.00 0.00 54.91 54.28 1y8h h ALA 26 Cb 0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1y8h h ALA 26 CO 0.04 0.37 -0.82 1.49 0.00 0.00 0.00 179.25 180.33 1y8h h GLU 27 N 0.23 0.16 -0.26 0.00 4.81 -1.17 -2.49 114.58 115.86 1y8h h GLU 27 Ca 0.01 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 58.99 1y8h h GLU 27 Cb 0.97 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1y8h h GLU 27 CO 0.08 0.89 -0.19 0.00 -0.73 0.00 0.00 179.01 179.07 1y8h h ALA 28 N 1.05 1.21 -0.01 2.92 0.00 -0.57 -1.99 119.26 121.87 1y8h h ALA 28 Ca -0.03 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.58 1y8h h ALA 28 Cb 1.42 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 1y8h h ALA 28 CO 0.12 0.51 -0.01 -0.07 0.00 0.00 0.00 179.25 179.81 1y8h h LEU 29 N 0.41 0.02 -1.36 0.00 3.38 -1.31 -2.99 115.31 113.47 1y8h h LEU 29 Ca 0.07 -0.43 0.08 0.00 0.09 0.00 0.00 57.88 57.69 1y8h h LEU 29 Cb 0.57 -0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.26 1y8h h LEU 29 CO 0.04 0.45 0.50 -0.08 0.09 0.00 0.00 178.44 179.44 1y8h h GLU 30 N -0.40 0.72 -0.36 1.13 4.81 -1.28 -1.18 114.58 118.01 1y8h h GLU 30 Ca 0.00 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 1y8h h GLU 30 Cb 0.44 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 1y8h h GLU 30 CO 0.00 0.48 -0.17 0.00 -0.73 0.00 0.00 179.01 178.58 1y8h h ARG 31 N 0.74 0.67 -0.30 1.92 3.08 -1.34 -3.00 114.38 116.15 1y8h h ARG 31 Ca 0.34 -0.24 -0.16 0.00 0.07 0.00 0.00 59.98 59.99 1y8h h ARG 31 Cb 0.36 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 1y8h h ARG 31 CO -0.12 0.81 -0.45 1.98 -1.07 0.00 0.00 179.97 181.12 1y8h h MET 32 N 0.60 0.84 0.00 0.04 4.05 -1.13 -1.88 114.93 117.45 1y8h h MET 32 Ca 0.10 -0.50 -0.00 0.00 -0.28 0.00 0.00 59.70 59.02 1y8h h MET 32 Cb 0.63 0.04 -0.00 0.00 -0.80 0.00 0.00 31.60 31.48 1y8h h MET 32 CO 0.04 1.13 -0.01 0.74 0.23 0.00 0.00 176.91 179.05 1y8h h PHE 33 N 0.62 0.00 0.00 1.39 -1.00 -1.18 -0.06 116.94 116.70 1y8h h PHE 33 Ca 0.03 0.00 -0.37 0.00 2.81 0.00 0.00 57.97 60.44 1y8h h PHE 33 Cb 1.05 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.54 1y8h h PHE 33 CO 0.07 0.01 -2.35 1.28 -1.61 0.00 0.00 178.31 175.71 1y8h n LEU 34 N -3.12 1.06 0.00 1.54 4.77 -1.14 -4.24 117.00 115.88 1y8h n LEU 34 Ca -0.01 -0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.88 1y8h n LEU 34 Cb 0.20 -0.01 -0.14 0.00 -2.33 0.00 0.00 43.42 41.14 1y8h n LEU 34 CO 0.24 0.64 -0.36 1.23 -1.33 0.00 0.00 177.39 177.81 1y8h h GLY 35 N 3.25 0.02 -6.31 -0.72 0.00 -1.27 -3.40 103.07 94.63 1y8h h GLY 35 Ca -0.54 -0.05 -0.59 0.00 0.00 0.00 0.00 47.33 46.16 1y8h h GLY 35 CO -0.00 0.04 -0.82 0.69 0.00 0.00 0.00 176.54 176.45 1y8h n PHE 36 N -3.15 1.54 -0.12 5.60 3.01 -0.04 -4.97 117.46 119.33 1y8h n PHE 36 Ca -0.13 -3.85 0.27 0.00 1.01 0.00 0.00 57.45 54.75 1y8h n PHE 36 Cb 1.02 -0.37 0.69 0.00 -0.01 0.00 0.00 39.48 40.82 1y8h n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1y8h h PRO 37 N 4.57 0.00 0.00 -1.08 0.11 -1.74 -1.44 132.00 132.42 1y8h h PRO 37 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1y8h h PRO 37 Cb 0.79 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.90 1y8h h PRO 37 CO 0.62 0.00 0.14 1.15 -0.21 0.00 0.00 178.00 179.70 1y8h h THR 38 N 0.00 0.00 0.00 -1.15 2.02 -1.92 -1.50 112.91 110.36 1y8h h THR 38 Ca 0.39 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.57 1y8h h THR 38 Cb 1.86 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1y8h h THR 38 CO -0.00 0.00 -0.48 0.71 0.37 0.00 0.00 175.52 176.12 1y8h h THR 39 N 0.00 0.00 0.00 3.16 1.35 -1.59 -3.26 112.91 112.57 1y8h h THR 39 Ca 0.00 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 1y8h h THR 39 Cb 0.28 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1y8h h THR 39 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1y8h n LYS 40 N -2.90 0.12 -0.05 4.72 5.02 -0.56 -1.91 118.16 122.60 1y8h n LYS 40 Ca 0.02 0.13 -0.16 0.00 -2.02 0.00 0.00 58.31 56.29 1y8h n LYS 40 Cb 0.54 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.99 1y8h n LYS 40 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1y8h h THR 41 N 0.00 1.30 0.00 -0.18 2.02 -1.75 -2.99 112.91 111.31 1y8h h THR 41 Ca 0.00 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.40 1y8h h THR 41 Cb 0.03 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1y8h h THR 41 CO 0.00 0.56 0.00 -1.22 0.37 0.00 0.00 175.52 175.23 1y8h n TYR 42 N -4.08 0.00 -3.23 3.16 4.02 -0.80 -4.12 117.16 112.11 1y8h n TYR 42 Ca -0.06 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.59 1y8h n TYR 42 Cb 0.63 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.89 1y8h n TYR 42 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1y8h n PHE 43 N -0.88 0.62 0.11 -0.72 3.72 -1.13 -4.92 117.46 114.27 1y8h n PHE 43 Ca 0.17 -3.72 0.03 0.00 -0.05 0.00 0.00 57.45 53.88 1y8h n PHE 43 Cb 0.08 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.22 1y8h n PHE 43 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1y8h h PRO 44 N 3.91 0.00 -0.01 -1.08 0.11 -1.72 -3.30 132.00 129.92 1y8h h PRO 44 Ca 0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1y8h h PRO 44 Cb 0.83 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1y8h h PRO 44 CO 0.55 0.39 -0.16 -2.39 -0.21 0.00 0.00 178.00 176.18 1y8h n HIS 45 N -3.10 0.00 -3.28 0.65 1.44 -1.26 -4.92 115.22 104.75 1y8h n HIS 45 Ca -0.01 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.48 1y8h n HIS 45 Cb 0.74 -0.14 -0.00 0.00 0.12 0.00 0.00 29.99 30.71 1y8h n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y8h s PHE 46 N -2.43 3.31 -0.42 -1.40 0.40 -1.24 -5.06 117.98 111.13 1y8h s PHE 46 Ca 0.28 0.17 -0.15 0.00 -0.60 0.00 0.00 56.93 56.63 1y8h s PHE 46 Cb 0.20 -2.06 0.03 0.00 0.51 0.00 0.00 43.02 41.70 1y8h s PHE 46 CO 0.48 -0.07 0.33 0.34 0.70 0.00 0.00 175.22 176.99 1y8h s ASP 47 N -4.13 6.12 -0.05 1.36 2.15 -1.26 -4.94 116.67 115.92 1y8h s ASP 47 Ca 0.44 -0.95 0.13 0.00 0.43 0.00 0.00 52.55 52.60 1y8h s ASP 47 Cb -0.10 -2.17 0.46 0.00 -0.30 0.00 0.00 42.92 40.81 1y8h s ASP 47 CO 0.35 -0.50 1.34 0.18 -0.17 0.00 0.00 175.17 176.38 1y8h n LEU 48 N 5.22 3.08 -4.70 -1.34 4.32 -1.26 -4.57 117.00 117.75 1y8h n LEU 48 Ca -0.11 -1.55 -0.33 0.00 -0.02 0.00 0.00 56.01 54.00 1y8h n LEU 48 Cb 0.46 -0.42 0.13 0.00 -1.62 0.00 0.00 43.42 41.97 1y8h n LEU 48 CO 0.43 0.59 0.75 -0.94 -1.22 0.00 0.00 177.39 177.00 1y8h s SER 49 N -0.83 3.61 0.27 -1.43 1.04 -1.26 -4.91 113.70 110.19 1y8h s SER 49 Ca 0.33 2.30 0.01 0.00 0.48 0.00 0.00 55.95 59.08 1y8h s SER 49 Cb 0.20 -2.58 0.61 0.00 0.10 0.00 0.00 66.02 64.35 1y8h s SER 49 CO 0.18 -2.65 1.74 0.45 0.98 0.00 0.00 173.24 173.94 1y8h h HIS 50 N -1.00 0.74 -0.59 5.02 3.86 -2.02 -2.12 115.15 119.04 1y8h h HIS 50 Ca -0.46 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 58.79 1y8h h HIS 50 Cb 1.29 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.56 1y8h h HIS 50 CO 0.48 0.10 0.00 0.41 0.86 0.00 0.00 177.93 179.78 1y8h n GLY 51 N -1.33 2.75 3.71 2.45 0.00 -1.26 -5.01 105.19 106.51 1y8h n GLY 51 Ca 0.19 -0.85 -0.60 0.00 0.00 0.00 0.00 46.02 44.77 1y8h n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1y8h n SER 52 N 0.84 2.03 0.00 1.61 2.88 -0.80 -4.83 113.62 115.34 1y8h n SER 52 Ca 0.26 1.11 0.12 0.00 -1.33 0.00 0.00 58.87 59.03 1y8h n SER 52 Cb 1.01 -1.08 0.61 0.00 -0.75 0.00 0.00 64.21 64.00 1y8h n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1y8h n ALA 53 N 4.82 2.25 0.09 -1.46 0.00 -1.26 -2.55 120.51 122.40 1y8h n ALA 53 Ca 0.27 -0.11 -0.23 0.00 0.00 0.00 0.00 53.44 53.37 1y8h n ALA 53 Cb 0.09 -1.41 -0.15 0.00 0.00 0.00 0.00 19.45 17.97 1y8h n ALA 53 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1y8h h GLN 54 N 0.00 0.42 -0.22 0.00 4.15 -1.88 -2.77 115.11 114.81 1y8h h GLN 54 Ca 0.00 -0.72 -0.08 0.00 0.77 0.00 0.00 58.65 58.62 1y8h h GLN 54 Cb 0.30 0.27 -0.00 0.00 0.21 0.00 0.00 27.48 28.25 1y8h h GLN 54 CO 0.00 1.33 -0.19 0.28 -1.93 0.00 0.00 178.83 178.32 1y8h h VAL 55 N 0.11 1.32 -0.84 2.39 2.07 -1.76 -0.15 116.25 119.40 1y8h h VAL 55 Ca -0.30 -1.34 0.08 0.00 0.82 0.00 0.00 66.70 65.96 1y8h h VAL 55 Cb 2.11 1.71 -0.07 0.00 -1.52 0.00 0.00 31.29 33.52 1y8h h VAL 55 CO 0.21 0.41 0.50 0.11 0.02 0.00 0.00 177.57 178.81 1y8h h LYS 56 N 0.19 0.84 0.17 1.57 1.57 -1.62 0.69 116.57 119.99 1y8h h LYS 56 Ca 0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1y8h h LYS 56 Cb 0.73 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1y8h h LYS 56 CO 0.05 0.56 -0.08 0.00 -0.57 0.00 0.00 179.45 179.40 1y8h h ALA 57 N 1.43 -0.23 -0.47 3.86 0.00 -1.21 -2.50 119.26 120.15 1y8h h ALA 57 Ca 0.39 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 1y8h h ALA 57 Cb 0.29 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1y8h h ALA 57 CO -0.22 -0.61 -0.02 1.25 0.00 0.00 0.00 179.25 179.65 1y8h h HIS 58 N -0.25 0.93 -0.74 0.00 -0.00 -0.27 -2.83 115.15 111.98 1y8h h HIS 58 Ca -0.02 -0.17 0.16 0.00 -0.00 0.00 0.00 60.37 60.34 1y8h h HIS 58 Cb 0.20 -0.24 -0.13 0.00 -0.00 0.00 0.00 27.41 27.24 1y8h h HIS 58 CO -0.06 0.89 -0.05 0.78 -0.00 0.00 0.00 177.93 179.49 1y8h h GLY 59 N 0.69 0.74 0.52 5.26 0.00 0.53 0.48 103.07 111.30 1y8h h GLY 59 Ca 0.13 0.15 0.05 0.00 0.00 0.00 0.00 47.33 47.65 1y8h h GLY 59 CO 0.03 -0.28 -0.07 1.70 0.00 0.00 0.00 176.54 177.91 1y8h h LYS 60 N 0.07 -0.03 -0.72 4.80 1.63 -1.21 0.16 116.57 121.27 1y8h h LYS 60 Ca 0.39 0.00 0.16 0.00 -0.85 0.00 0.00 60.65 60.35 1y8h h LYS 60 Cb 0.66 0.01 -0.12 0.00 -0.60 0.00 0.00 32.23 32.18 1y8h h LYS 60 CO -0.69 -0.02 0.08 -0.22 -3.45 0.00 0.00 179.45 175.15 1y8h h LYS 61 N -0.03 0.16 -0.00 1.90 1.63 0.08 -1.19 116.57 119.12 1y8h h LYS 61 Ca 0.11 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1y8h h LYS 61 Cb 0.19 -0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 31.79 1y8h h LYS 61 CO -0.24 0.11 -0.00 0.28 -3.45 0.00 0.00 179.45 176.15 1y8h h VAL 62 N 0.17 1.30 -0.60 2.00 2.07 0.22 -2.78 116.25 118.63 1y8h h VAL 62 Ca 0.40 -0.89 0.06 0.00 0.82 0.00 0.00 66.70 67.09 1y8h h VAL 62 Cb 0.69 1.90 -0.06 0.00 -1.52 0.00 0.00 31.29 32.31 1y8h h VAL 62 CO -0.58 0.23 0.30 1.23 0.02 0.00 0.00 177.57 178.78 1y8h h GLY 63 N -0.37 0.86 1.10 2.17 0.00 -0.17 -2.43 103.07 104.23 1y8h h GLY 63 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.11 1y8h h GLY 63 CO 0.00 0.10 0.46 -0.55 0.00 0.00 0.00 176.54 176.55 1y8h h ASP 64 N 0.56 1.06 -0.78 0.19 3.32 -1.26 -2.17 116.42 117.34 1y8h h ASP 64 Ca 0.28 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 1y8h h ASP 64 Cb 0.22 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 1y8h h ASP 64 CO -0.20 0.85 0.39 0.00 -1.72 0.00 0.00 179.24 178.56 1y8h h ALA 65 N 1.32 1.00 0.34 3.45 0.00 -1.15 -1.62 119.26 122.60 1y8h h ALA 65 Ca 0.30 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1y8h h ALA 65 Cb 0.03 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.51 1y8h h ALA 65 CO -0.05 0.55 -0.17 -0.07 0.00 0.00 0.00 179.25 179.51 1y8h h LEU 66 N 1.09 -0.39 -2.00 0.00 3.38 -0.99 -1.82 115.31 114.58 1y8h h LEU 66 Ca 0.27 -0.05 0.17 0.00 0.09 0.00 0.00 57.88 58.36 1y8h h LEU 66 Cb 0.09 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1y8h h LEU 66 CO -0.04 -0.20 0.46 0.74 0.09 0.00 0.00 178.44 179.50 1y8h h THR 67 N -0.57 0.59 -0.20 0.22 2.02 -1.26 0.15 112.91 113.87 1y8h h THR 67 Ca -0.05 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1y8h h THR 67 Cb 0.42 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1y8h h THR 67 CO 0.08 0.00 -0.04 0.25 0.37 0.00 0.00 175.52 176.17 1y8h h LEU 68 N 0.00 0.38 -1.18 2.58 7.12 -0.54 -3.11 115.31 120.56 1y8h h LEU 68 Ca 0.28 -0.36 -0.07 0.00 0.13 0.00 0.00 57.88 57.86 1y8h h LEU 68 Cb 1.21 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 41.22 1y8h h LEU 68 CO -0.00 0.65 -0.32 0.00 -0.13 0.00 0.00 178.44 178.64 1y8h h ALA 69 N 0.74 1.11 0.00 1.25 0.00 0.02 -2.71 119.26 119.67 1y8h h ALA 69 Ca 0.05 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1y8h h ALA 69 Cb 0.49 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1y8h h ALA 69 CO 0.02 0.40 -0.29 0.28 0.00 0.00 0.00 179.25 179.65 1y8h h VAL 70 N 0.00 1.00 -0.14 0.00 2.07 -1.12 -2.26 116.25 115.80 1y8h h VAL 70 Ca -0.00 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1y8h h VAL 70 Cb 0.75 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.14 1y8h h VAL 70 CO 0.04 0.29 0.00 0.61 0.02 0.00 0.00 177.57 178.53 1y8h n GLY 71 N -0.42 0.37 2.72 2.17 0.00 -1.02 -4.21 105.19 104.80 1y8h n GLY 71 Ca -0.02 -0.47 -0.06 0.00 0.00 0.00 0.00 46.02 45.48 1y8h n GLY 71 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1y8h n HIS 72 N 0.44 0.24 0.21 1.61 -0.00 -0.87 -4.93 115.22 111.92 1y8h n HIS 72 Ca 0.17 -2.36 0.05 0.00 -0.00 0.00 0.00 57.72 55.58 1y8h n HIS 72 Cb 0.37 0.19 0.48 0.00 -0.00 0.00 0.00 29.99 31.04 1y8h n HIS 72 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1y8h h LEU 73 N 2.52 0.02 -0.46 2.41 4.07 -1.66 -2.66 115.31 119.55 1y8h h LEU 73 Ca -0.18 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.78 1y8h h LEU 73 Cb 1.24 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.97 1y8h h LEU 73 CO 0.25 0.21 0.00 0.47 -1.08 0.00 0.00 178.44 178.29 1y8h n ASP 74 N -4.30 0.36 -2.65 -0.43 9.92 -1.26 -3.84 116.55 114.34 1y8h n ASP 74 Ca -0.02 -1.56 -0.03 0.00 -0.53 0.00 0.00 54.79 52.65 1y8h n ASP 74 Cb 0.26 -0.18 0.10 0.00 -0.64 0.00 0.00 41.12 40.66 1y8h n ASP 74 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1y8h n ASP 75 N -0.22 -1.00 0.21 -2.24 2.03 -1.01 -5.03 116.55 109.29 1y8h n ASP 75 Ca 0.00 -1.51 0.05 0.00 0.52 0.00 0.00 54.79 53.85 1y8h n ASP 75 Cb 0.09 0.81 0.46 0.00 -0.72 0.00 0.00 41.12 41.76 1y8h n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1y8h h LEU 76 N 2.39 0.00 -1.44 -2.67 3.38 -1.64 -2.33 115.31 113.00 1y8h h LEU 76 Ca -0.32 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.61 1y8h h LEU 76 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.98 1y8h h LEU 76 CO -0.13 0.25 -0.20 -0.65 0.09 0.00 0.00 178.44 177.81 1y8h h PRO 77 N 0.00 0.00 0.05 1.13 0.11 -1.93 -2.16 132.00 129.20 1y8h h PRO 77 Ca -0.00 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 65.84 1y8h h PRO 77 Cb 0.46 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.55 1y8h h PRO 77 CO 0.03 0.20 -1.37 0.78 -0.21 0.00 0.00 178.00 177.43 1y8h h GLY 78 N 1.53 0.11 0.93 -0.55 0.00 -1.81 -3.22 103.07 100.07 1y8h h GLY 78 Ca -0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1y8h h GLY 78 CO 0.03 0.25 -1.15 0.00 0.00 0.00 0.00 176.54 175.67 1y8h n ALA 79 N -2.52 2.41 0.23 3.60 0.00 -1.10 -4.17 120.51 118.96 1y8h n ALA 79 Ca -0.10 -0.32 0.06 0.00 0.00 0.00 0.00 53.44 53.09 1y8h n ALA 79 Cb 1.01 -1.05 0.10 0.00 0.00 0.00 0.00 19.45 19.50 1y8h n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y8h n LEU 80 N -2.70 2.46 -0.37 0.00 4.77 -0.82 -4.73 117.00 115.61 1y8h n LEU 80 Ca -0.02 -1.41 0.36 0.00 -0.03 0.00 0.00 56.01 54.91 1y8h n LEU 80 Cb 0.61 -0.11 0.57 0.00 -2.33 0.00 0.00 43.42 42.17 1y8h n LEU 80 CO 0.41 0.54 1.34 -1.28 -1.33 0.00 0.00 177.39 177.06 1y8h h SER 81 N 2.41 0.00 0.17 -1.43 0.87 -1.72 0.20 113.55 114.05 1y8h h SER 81 Ca 0.00 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.20 1y8h h SER 81 Cb 0.62 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.58 1y8h h SER 81 CO 0.00 0.00 -1.87 -2.24 -0.53 0.00 0.00 176.83 172.19 1y8h h ASP 82 N 0.00 0.51 0.62 6.23 2.03 -1.91 -3.22 116.42 120.68 1y8h h ASP 82 Ca 0.64 -0.93 -0.07 0.00 -0.73 0.00 0.00 57.03 55.94 1y8h h ASP 82 Cb 3.18 -0.17 -0.01 0.00 -0.83 0.00 0.00 39.33 41.50 1y8h h ASP 82 CO -0.01 1.81 -0.31 -0.07 -1.03 0.00 0.00 179.24 179.63 1y8h h LEU 83 N 0.09 0.00 -0.55 0.15 4.07 -1.00 -1.61 115.31 116.45 1y8h h LEU 83 Ca -0.38 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.44 1y8h h LEU 83 Cb 2.07 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 43.80 1y8h h LEU 83 CO 0.13 0.31 -0.38 -1.28 -1.08 0.00 0.00 178.44 176.15 1y8h h SER 84 N 0.00 0.80 -0.06 -0.43 0.87 -1.34 -1.67 113.55 111.72 1y8h h SER 84 Ca -0.00 -0.35 -0.21 0.00 -1.23 0.00 0.00 61.79 59.99 1y8h h SER 84 Cb 0.71 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1y8h h SER 84 CO 0.04 1.08 -0.75 0.78 -0.53 0.00 0.00 176.83 177.45 1y8h h ASN 85 N 0.62 0.83 -0.18 6.23 4.21 -1.45 -1.34 115.58 124.51 1y8h h ASN 85 Ca 0.06 -0.54 -0.03 0.00 1.21 0.00 0.00 56.30 57.00 1y8h h ASN 85 Cb 0.92 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.87 1y8h h ASN 85 CO 0.08 1.33 0.00 0.25 -1.29 0.00 0.00 177.43 177.80 1y8h h LEU 86 N 0.48 0.30 0.00 1.61 5.85 -1.24 0.24 115.31 122.56 1y8h h LEU 86 Ca -0.04 -0.31 -0.08 0.00 0.84 0.00 0.00 57.88 58.29 1y8h h LEU 86 Cb 1.37 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1y8h h LEU 86 CO 0.15 0.54 -0.46 0.45 -0.34 0.00 0.00 178.44 178.78 1y8h h HIS 87 N 0.06 0.00 0.00 1.25 3.86 -1.38 0.28 115.15 119.23 1y8h h HIS 87 Ca 0.05 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.98 1y8h h HIS 87 Cb 0.38 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.80 1y8h h HIS 87 CO 0.03 0.36 -2.05 0.00 0.86 0.00 0.00 177.93 177.14 1y8h n ALA 88 N -2.20 1.61 -0.05 2.45 0.00 -0.50 -2.32 120.51 119.49 1y8h n ALA 88 Ca 0.02 -0.90 -0.22 0.00 0.00 0.00 0.00 53.44 52.34 1y8h n ALA 88 Cb 0.69 -0.01 -0.13 0.00 0.00 0.00 0.00 19.45 20.00 1y8h n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y8h n HIS 89 N -2.79 1.10 -0.10 0.00 8.25 0.01 -4.19 115.22 117.50 1y8h n HIS 89 Ca -0.29 0.34 -0.19 0.00 -0.26 0.00 0.00 57.72 57.33 1y8h n HIS 89 Cb 0.92 -1.13 -0.09 0.00 1.12 0.00 0.00 29.99 30.82 1y8h n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y8h n LYS 90 N -3.97 0.54 0.06 -0.41 3.00 -0.85 -4.61 118.16 111.92 1y8h n LYS 90 Ca -0.33 0.50 -0.09 0.00 -0.00 0.00 0.00 58.31 58.39 1y8h n LYS 90 Cb 0.86 -1.68 -0.13 0.00 0.00 0.00 0.00 35.03 34.09 1y8h n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1y8h h LEU 91 N -1.00 0.09 -1.73 3.14 3.38 -1.14 -3.49 115.31 114.56 1y8h h LEU 91 Ca -0.32 -0.10 -0.41 0.00 0.09 0.00 0.00 57.88 57.15 1y8h h LEU 91 Cb 1.18 -0.03 0.07 0.00 0.09 0.00 0.00 40.66 41.97 1y8h h LEU 91 CO -0.19 1.08 -0.82 0.54 0.09 0.00 0.00 178.44 179.14 1y8h n ARG 92 N -3.36 -5.23 -2.30 1.13 1.74 -1.08 -4.93 116.66 102.63 1y8h n ARG 92 Ca -0.04 0.66 -0.40 0.00 -0.77 0.00 0.00 57.85 57.30 1y8h n ARG 92 Cb 0.97 -5.30 -0.03 0.00 -1.02 0.00 0.00 32.46 27.07 1y8h n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y8h s VAL 93 N -3.61 3.12 0.07 1.55 1.01 -0.98 -4.97 120.40 116.58 1y8h s VAL 93 Ca 0.02 1.13 -0.31 0.00 0.00 0.00 0.00 61.98 62.82 1y8h s VAL 93 Cb -0.01 -3.72 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 1y8h s VAL 93 CO 0.80 0.27 1.41 -0.62 0.00 0.00 0.00 175.10 176.96 1y8h s ASP 94 N -0.69 6.83 0.67 3.32 -1.08 -1.26 -4.91 116.67 119.54 1y8h s ASP 94 Ca 0.47 2.25 0.40 0.00 -0.52 0.00 0.00 52.55 55.15 1y8h s ASP 94 Cb -0.36 -2.57 2.18 0.00 -1.46 0.00 0.00 42.92 40.71 1y8h s ASP 94 CO 0.47 -0.69 2.23 1.55 0.52 0.00 0.00 175.17 179.25 1y8h h PRO 95 N 7.30 0.00 0.00 4.34 0.13 -1.98 -1.38 132.00 140.41 1y8h h PRO 95 Ca -0.41 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.71 1y8h h PRO 95 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 1y8h h PRO 95 CO 0.88 0.00 -0.08 0.28 -0.23 0.00 0.00 178.00 178.85 1y8h h VAL 96 N 0.00 0.21 0.00 1.56 2.07 -2.01 -2.31 116.25 115.76 1y8h h VAL 96 Ca 0.00 -0.74 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 1y8h h VAL 96 Cb 0.21 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.59 1y8h h VAL 96 CO -0.00 0.08 -0.17 0.78 0.02 0.00 0.00 177.57 178.28 1y8h h ASN 97 N 0.00 0.00 0.25 0.57 2.35 -1.64 -3.04 115.58 114.07 1y8h h ASN 97 Ca -0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 1y8h h ASN 97 Cb 0.60 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1y8h h ASN 97 CO 0.01 0.17 -0.56 -0.26 -1.65 0.00 0.00 177.43 175.14 1y8h h PHE 98 N 0.00 0.41 -0.11 1.19 0.04 -1.55 -2.42 116.94 114.50 1y8h h PHE 98 Ca -0.00 -0.15 -0.10 0.00 2.80 0.00 0.00 57.97 60.52 1y8h h PHE 98 Cb 0.79 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.86 1y8h h PHE 98 CO 0.00 0.81 -0.37 0.87 -0.60 0.00 0.00 178.31 179.02 1y8h h LYS 99 N 0.25 0.23 -0.08 1.51 1.57 -1.61 -2.14 116.57 116.29 1y8h h LYS 99 Ca 0.00 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.63 1y8h h LYS 99 Cb 1.06 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1y8h h LYS 99 CO 0.09 0.57 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.30 1y8h h LEU 100 N 0.19 0.29 -0.85 2.94 3.38 -1.52 -1.98 115.31 117.76 1y8h h LEU 100 Ca 0.02 -0.57 -0.08 0.00 0.09 0.00 0.00 57.88 57.33 1y8h h LEU 100 Cb 0.75 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1y8h h LEU 100 CO 0.06 0.81 -0.05 0.25 0.09 0.00 0.00 178.44 179.59 1y8h h LEU 101 N -0.22 0.77 -0.70 1.67 5.85 -1.44 -1.13 115.31 120.12 1y8h h LEU 101 Ca 0.00 -0.21 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 1y8h h LEU 101 Cb 0.76 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 1y8h h LEU 101 CO 0.04 0.87 0.39 0.28 -0.34 0.00 0.00 178.44 179.68 1y8h h SER 102 N 0.73 0.87 -0.55 1.25 0.02 -1.39 0.25 113.55 114.73 1y8h h SER 102 Ca 0.13 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.94 1y8h h SER 102 Cb 0.52 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 1y8h h SER 102 CO 0.03 0.70 0.13 -0.74 -1.14 0.00 0.00 176.83 175.81 1y8h h HIS 103 N 0.96 0.93 0.00 3.45 -0.00 -0.99 -1.27 115.15 118.24 1y8h h HIS 103 Ca 0.25 -0.11 -0.09 0.00 -0.00 0.00 0.00 60.37 60.42 1y8h h HIS 103 Cb 0.02 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.16 1y8h h HIS 103 CO -0.01 0.81 -0.42 0.00 -0.00 0.00 0.00 177.93 178.31 1y8h h LEU 105 N 0.00 0.69 -1.30 0.00 5.85 -0.59 -2.51 115.31 117.46 1y8h h LEU 105 Ca -0.00 -0.53 -0.07 0.00 0.84 0.00 0.00 57.88 58.12 1y8h h LEU 105 Cb 0.83 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 1y8h h LEU 105 CO 0.05 1.08 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.82 1y8h h LEU 106 N 0.32 0.00 -0.59 2.25 3.38 -1.07 -2.62 115.31 116.97 1y8h h LEU 106 Ca 0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 1y8h h LEU 106 Cb 0.94 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1y8h h LEU 106 CO 0.08 0.34 -0.61 0.28 0.09 0.00 0.00 178.44 178.63 1y8h h SER 107 N 0.00 0.37 0.46 -0.43 0.02 -1.19 -2.88 113.55 109.90 1y8h h SER 107 Ca -0.00 -0.21 -0.02 0.00 -0.84 0.00 0.00 61.79 60.71 1y8h h SER 107 Cb 0.65 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1y8h h SER 107 CO 0.04 0.89 -0.22 0.74 -1.14 0.00 0.00 176.83 177.15 1y8h h THR 108 N 0.24 0.48 -0.96 -2.27 2.02 -1.12 -2.93 112.91 108.36 1y8h h THR 108 Ca -0.01 -0.40 0.21 0.00 0.77 0.00 0.00 66.41 66.98 1y8h h THR 108 Cb 1.13 0.64 -0.08 0.00 -1.74 0.00 0.00 68.15 68.10 1y8h h THR 108 CO 0.10 0.06 0.62 -0.07 0.37 0.00 0.00 175.52 176.60 1y8h h LEU 109 N -0.87 0.56 -0.84 2.58 4.07 -1.50 0.11 115.31 119.42 1y8h h LEU 109 Ca -0.06 0.07 -0.06 0.00 0.08 0.00 0.00 57.88 57.90 1y8h h LEU 109 Cb 0.57 -0.03 -0.03 0.00 1.08 0.00 0.00 40.66 42.25 1y8h h LEU 109 CO 0.10 0.20 0.19 0.00 -1.08 0.00 0.00 178.44 177.85 1y8h h ALA 110 N 1.62 1.05 -0.06 1.53 0.00 -1.45 0.57 119.26 122.53 1y8h h ALA 110 Ca 0.53 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 55.11 1y8h h ALA 110 Cb 1.11 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1y8h h ALA 110 CO -0.27 0.63 -0.42 0.28 0.00 0.00 0.00 179.25 179.47 1y8h h VAL 111 N 1.01 1.31 0.00 0.00 2.07 -0.61 -2.99 116.25 117.04 1y8h h VAL 111 Ca 0.22 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1y8h h VAL 111 Cb 0.32 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.83 1y8h h VAL 111 CO -0.00 0.44 -1.66 1.41 0.02 0.00 0.00 177.57 177.78 1y8h n HIS 112 N -4.02 0.00 -2.65 1.57 8.25 -0.82 -4.61 115.22 112.93 1y8h n HIS 112 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.35 1y8h n HIS 112 Cb 0.47 -0.34 0.03 0.00 1.12 0.00 0.00 29.99 31.27 1y8h n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1y8h n LEU 113 N -2.01 1.99 -0.25 2.41 4.77 0.17 -4.94 117.00 119.13 1y8h n LEU 113 Ca -0.02 -3.76 0.32 0.00 -0.03 0.00 0.00 56.01 52.52 1y8h n LEU 113 Cb 0.46 0.31 0.65 0.00 -2.33 0.00 0.00 43.42 42.51 1y8h n LEU 113 CO 0.41 1.54 1.30 1.55 -1.33 0.00 0.00 177.39 180.85 1y8h h PRO 114 N 2.83 0.00 0.00 3.23 0.13 -1.69 0.11 132.00 136.60 1y8h h PRO 114 Ca -0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 1y8h h PRO 114 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1y8h h PRO 114 CO 0.48 0.00 -1.16 0.09 -0.23 0.00 0.00 178.00 177.17 1y8h n ASN 115 N -3.69 0.69 0.01 1.44 3.02 -1.26 -4.13 115.26 111.34 1y8h n ASN 115 Ca 0.24 0.25 0.07 0.00 -0.03 0.00 0.00 54.58 55.10 1y8h n ASN 115 Cb 1.34 0.71 -0.12 0.00 -0.61 0.00 0.00 39.78 41.10 1y8h n ASN 115 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1y8h n ASP 116 N -2.56 0.32 -3.40 6.41 8.00 -0.07 -4.62 116.55 120.63 1y8h n ASP 116 Ca -0.01 0.13 -0.34 0.00 0.71 0.00 0.00 54.79 55.29 1y8h n ASP 116 Cb 0.55 1.24 -0.03 0.00 -0.02 0.00 0.00 41.12 42.86 1y8h n ASP 116 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1y8h n PHE 117 N -2.51 2.05 -2.28 1.24 7.35 -0.66 -4.86 117.46 117.79 1y8h n PHE 117 Ca -0.08 -2.32 -0.33 0.00 -0.76 0.00 0.00 57.45 53.97 1y8h n PHE 117 Cb 0.68 -1.99 -0.02 0.00 0.35 0.00 0.00 39.48 38.50 1y8h n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y8h s THR 118 N 3.51 4.09 0.31 -2.13 -4.23 -1.26 -4.85 115.64 111.08 1y8h s THR 118 Ca 0.51 1.05 0.08 0.00 -1.18 0.00 0.00 61.69 62.16 1y8h s THR 118 Cb 0.13 -3.52 0.31 0.00 1.34 0.00 0.00 72.50 70.76 1y8h s THR 118 CO -0.01 -0.52 1.75 -0.65 -0.54 0.00 0.00 174.62 174.65 1y8h h PRO 119 N 0.83 0.64 -0.31 3.99 0.11 -1.99 0.05 132.00 135.32 1y8h h PRO 119 Ca -0.47 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 1y8h h PRO 119 Cb 1.21 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1y8h h PRO 119 CO 0.59 0.42 -0.16 0.00 -0.21 0.00 0.00 178.00 178.64 1y8h h ALA 120 N 1.69 1.14 0.00 -0.75 0.00 -1.97 -1.90 119.26 117.47 1y8h h ALA 120 Ca 0.61 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 1y8h h ALA 120 Cb 1.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1y8h h ALA 120 CO -0.43 0.54 -0.56 0.28 0.00 0.00 0.00 179.25 179.08 1y8h h VAL 121 N 0.50 1.32 -0.14 0.00 2.07 -1.36 -2.82 116.25 115.81 1y8h h VAL 121 Ca 0.09 -1.97 -0.02 0.00 0.82 0.00 0.00 66.70 65.61 1y8h h VAL 121 Cb 0.57 2.09 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 1y8h h VAL 121 CO 0.04 0.55 -0.00 -0.74 0.02 0.00 0.00 177.57 177.43 1y8h h HIS 122 N 0.00 0.28 -0.70 1.57 6.17 -0.76 -1.69 115.15 120.02 1y8h h HIS 122 Ca -0.01 -0.05 -0.02 0.00 0.71 0.00 0.00 60.37 61.00 1y8h h HIS 122 Cb 1.04 -0.07 -0.03 0.00 2.52 0.00 0.00 27.41 30.86 1y8h h HIS 122 CO 0.00 0.49 0.35 0.00 0.71 0.00 0.00 177.93 179.47 1y8h h ALA 123 N 0.76 1.30 -0.04 5.26 0.00 -1.25 -2.07 119.26 123.21 1y8h h ALA 123 Ca 0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1y8h h ALA 123 Cb 0.38 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1y8h h ALA 123 CO 0.01 0.55 -0.20 0.77 0.00 0.00 0.00 179.25 180.38 1y8h h SER 124 N 0.98 0.25 -0.71 0.00 0.02 -1.43 -3.00 113.55 109.65 1y8h h SER 124 Ca 0.24 -0.65 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 1y8h h SER 124 Cb 0.08 -0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 1y8h h SER 124 CO -0.03 0.86 0.42 -0.07 -1.14 0.00 0.00 176.83 176.87 1y8h h LEU 125 N -0.35 0.88 -0.45 5.07 3.38 -1.27 0.16 115.31 122.72 1y8h h LEU 125 Ca -0.01 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1y8h h LEU 125 Cb 0.85 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 1y8h h LEU 125 CO 0.04 0.68 0.22 -0.78 0.09 0.00 0.00 178.44 178.70 1y8h h ASP 126 N 1.00 0.59 -0.17 -0.43 3.58 -1.44 0.39 116.42 119.94 1y8h h ASP 126 Ca 0.26 -0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.54 1y8h h ASP 126 Cb -0.02 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 40.88 1y8h h ASP 126 CO -0.05 0.54 -0.08 0.11 -2.88 0.00 0.00 179.24 176.88 1y8h h LYS 127 N 0.59 0.35 -0.36 0.28 1.57 -1.27 -1.36 116.57 116.38 1y8h h LYS 127 Ca 0.16 -0.15 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 1y8h h LYS 127 Cb 0.11 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 1y8h h LYS 127 CO -0.02 0.66 -0.03 0.35 -0.57 0.00 0.00 179.45 179.85 1y8h h PHE 128 N 0.03 -0.07 -0.86 -1.35 3.57 -0.59 -1.06 116.94 116.61 1y8h h PHE 128 Ca 0.04 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.58 1y8h h PHE 128 Cb 0.56 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 1y8h h PHE 128 CO 0.06 -0.09 0.57 -0.07 -2.23 0.00 0.00 178.31 176.55 1y8h h LEU 129 N 0.07 0.98 -0.97 0.59 3.38 -0.83 -2.31 115.31 116.22 1y8h h LEU 129 Ca 0.17 -0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 1y8h h LEU 129 Cb 0.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1y8h h LEU 129 CO -0.31 0.70 -0.06 0.28 0.09 0.00 0.00 178.44 179.14 1y8h h SER 130 N 1.15 0.67 -0.40 -0.43 0.02 -0.17 -0.56 113.55 113.83 1y8h h SER 130 Ca 0.32 -0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 1y8h h SER 130 Cb -0.11 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.24 1y8h h SER 130 CO -0.07 0.77 0.20 0.28 -1.14 0.00 0.00 176.83 176.87 1y8h h SER 131 N 0.64 0.51 -0.27 3.07 0.02 -0.69 -0.69 113.55 116.13 1y8h h SER 131 Ca 0.12 -0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1y8h h SER 131 Cb 0.48 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 1y8h h SER 131 CO 0.02 0.48 -0.02 0.58 -1.14 0.00 0.00 176.83 176.76 1y8h h VAL 132 N 0.51 1.22 -0.01 2.27 2.07 -1.20 -1.33 116.25 119.77 1y8h h VAL 132 Ca 0.14 -0.90 -0.12 0.00 0.82 0.00 0.00 66.70 66.64 1y8h h VAL 132 Cb 0.10 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1y8h h VAL 132 CO -0.02 0.31 -0.55 0.28 0.02 0.00 0.00 177.57 177.61 1y8h h SER 133 N 0.58 0.03 -0.02 0.57 0.02 -0.53 -2.44 113.55 111.76 1y8h h SER 133 Ca 0.12 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 60.90 1y8h h SER 133 Cb 0.39 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 62.94 1y8h h SER 133 CO 0.02 0.57 -0.57 0.74 -1.14 0.00 0.00 176.83 176.45 1y8h h THR 134 N 0.02 1.42 0.58 -2.27 2.02 -0.67 -3.22 112.91 110.80 1y8h h THR 134 Ca -0.00 -2.03 -0.03 0.00 0.77 0.00 0.00 66.41 65.12 1y8h h THR 134 Cb 0.98 2.54 0.01 0.00 -1.74 0.00 0.00 68.15 69.93 1y8h h THR 134 CO 0.07 0.59 -0.28 0.58 0.37 0.00 0.00 175.52 176.85 1y8h h VAL 135 N -0.09 0.41 0.00 3.16 2.07 -1.24 -2.99 116.25 117.58 1y8h h VAL 135 Ca -0.07 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1y8h h VAL 135 Cb 1.27 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1y8h h VAL 135 CO 0.11 0.01 0.14 -0.07 0.02 0.00 0.00 177.57 177.78 1y8h h LEU 136 N -0.83 0.00 -3.04 2.57 3.38 -1.56 -1.90 115.31 113.93 1y8h h LEU 136 Ca -0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1y8h h LEU 136 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1y8h h LEU 136 CO 0.13 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.01 1y8h n THR 137 N -2.39 1.51 -3.66 0.22 -2.24 -1.14 -3.68 114.28 102.91 1y8h n THR 137 Ca -0.02 -1.42 -0.38 0.00 -2.27 0.00 0.00 64.05 59.96 1y8h n THR 137 Cb 0.17 0.18 -0.12 0.00 -2.10 0.00 0.00 70.33 68.46 1y8h n THR 137 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1y8h s SER 138 N -1.51 5.55 -0.98 3.42 0.01 -0.72 -4.95 113.70 114.53 1y8h s SER 138 Ca 0.27 -0.33 -0.20 0.00 1.31 0.00 0.00 55.95 56.99 1y8h s SER 138 Cb 0.19 -2.01 0.10 0.00 0.21 0.00 0.00 66.02 64.51 1y8h s SER 138 CO 0.10 -0.13 1.28 -0.54 0.41 0.00 0.00 173.24 174.36 1y8h s LYS 139 N 1.65 3.62 -0.28 12.44 1.02 -1.26 -4.79 119.74 132.14 1y8h s LYS 139 Ca 0.06 -1.53 0.05 0.00 0.02 0.00 0.00 55.97 54.56 1y8h s LYS 139 Cb -0.16 -5.12 0.49 0.00 -0.52 0.00 0.00 37.83 32.53 1y8h s LYS 139 CO 0.07 -1.96 1.57 0.66 -0.92 0.00 0.00 175.35 174.77 1y8h n TYR 140 N 7.51 1.97 -0.01 3.18 4.02 -1.26 -5.18 117.16 127.39 1y8h n TYR 140 Ca 0.29 -1.21 0.00 0.00 -0.01 0.00 0.00 57.90 56.97 1y8h n TYR 140 Cb 0.50 -0.65 0.00 0.00 -0.02 0.00 0.00 39.34 39.17 1y8h n TYR 140 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39