#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0d n HIS 2 N 0.00 3.45 -3.41 1.45 -0.00 -1.26 -4.87 115.22 110.58 1y0d n HIS 2 Ca 0.00 -3.95 -0.38 0.00 -0.00 0.00 0.00 57.72 53.39 1y0d n HIS 2 Cb 0.00 -0.47 -0.06 0.00 -0.00 0.00 0.00 29.99 29.46 1y0d n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1y0d s LEU 3 N -3.32 4.32 0.34 0.27 1.43 -1.26 -5.06 118.68 115.40 1y0d s LEU 3 Ca 0.48 0.78 -0.27 0.00 -1.03 0.00 0.00 54.13 54.09 1y0d s LEU 3 Cb 0.29 -2.60 -0.09 0.00 0.03 0.00 0.00 46.19 43.83 1y0d s LEU 3 CO -0.13 0.10 1.08 -0.89 0.23 0.00 0.00 176.35 176.75 1y0d s THR 4 N 0.16 3.56 0.33 5.49 2.01 -1.26 -4.79 115.64 121.14 1y0d s THR 4 Ca 0.23 1.39 0.13 0.00 0.31 0.00 0.00 61.69 63.74 1y0d s THR 4 Cb -0.15 -3.81 0.32 0.00 0.01 0.00 0.00 72.50 68.87 1y0d s THR 4 CO 0.10 0.19 1.67 1.55 -0.69 0.00 0.00 174.62 177.44 1y0d h PRO 5 N 3.17 0.33 -0.57 4.92 0.13 -1.98 1.18 132.00 139.19 1y0d h PRO 5 Ca -0.47 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 1y0d h PRO 5 Cb 1.21 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1y0d h PRO 5 CO 0.65 0.22 0.07 0.93 -0.23 0.00 0.00 178.00 179.63 1y0d h GLU 6 N 0.34 0.96 0.00 0.86 3.07 -2.00 -0.90 114.58 116.92 1y0d h GLU 6 Ca 0.70 -0.27 -0.10 0.00 -0.50 0.00 0.00 59.36 59.19 1y0d h GLU 6 Cb 1.56 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 29.35 1y0d h GLU 6 CO -0.60 0.93 -0.47 0.93 -1.40 0.00 0.00 179.01 178.40 1y0d h GLU 7 N 0.86 0.00 -0.23 2.33 5.08 0.78 -2.56 114.58 120.84 1y0d h GLU 7 Ca 0.17 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.45 1y0d h GLU 7 Cb 0.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 1y0d h GLU 7 CO 0.02 0.47 -0.18 0.87 -1.00 0.00 0.00 179.01 179.19 1y0d h LYS 8 N 0.00 0.52 -0.72 2.33 1.57 0.20 -2.80 116.57 117.67 1y0d h LYS 8 Ca -0.00 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.45 1y0d h LYS 8 Cb 0.87 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.15 1y0d h LYS 8 CO 0.06 0.83 0.21 1.03 -0.57 0.00 0.00 179.45 181.01 1y0d h SER 9 N 0.22 1.07 -0.57 0.86 0.87 -0.94 -2.56 113.55 112.50 1y0d h SER 9 Ca 0.04 -0.21 -0.08 0.00 -1.23 0.00 0.00 61.79 60.31 1y0d h SER 9 Cb 0.71 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 1y0d h SER 9 CO 0.05 1.00 0.04 0.00 -0.53 0.00 0.00 176.83 177.39 1y0d h ALA 10 N 1.13 0.94 0.54 6.23 0.00 -1.45 -1.01 119.26 125.65 1y0d h ALA 10 Ca 0.23 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1y0d h ALA 10 Cb 0.33 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1y0d h ALA 10 CO -0.00 0.64 -0.26 0.28 0.00 0.00 0.00 179.25 179.91 1y0d h VAL 11 N 0.94 0.16 -0.61 0.00 2.07 -1.39 -3.07 116.25 114.35 1y0d h VAL 11 Ca 0.18 -0.46 0.13 0.00 0.82 0.00 0.00 66.70 67.37 1y0d h VAL 11 Cb 0.49 0.24 -0.10 0.00 -1.52 0.00 0.00 31.29 30.39 1y0d h VAL 11 CO 0.02 0.03 -0.00 0.74 0.02 0.00 0.00 177.57 178.38 1y0d h THR 12 N -1.12 0.49 -0.01 2.57 2.02 -1.47 -0.34 112.91 115.04 1y0d h THR 12 Ca -0.07 -0.04 -0.14 0.00 0.77 0.00 0.00 66.41 66.93 1y0d h THR 12 Cb 0.61 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 1y0d h THR 12 CO 0.12 0.02 -0.64 0.00 0.37 0.00 0.00 175.52 175.40 1y0d h ALA 13 N 1.56 0.92 0.01 6.16 0.00 -1.28 -2.82 119.26 123.81 1y0d h ALA 13 Ca 0.32 -0.58 -0.24 0.00 0.00 0.00 0.00 54.91 54.41 1y0d h ALA 13 Cb 0.52 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.23 1y0d h ALA 13 CO -0.53 0.79 -0.94 1.25 0.00 0.00 0.00 179.25 179.82 1y0d h LEU 14 N 0.03 0.81 -0.90 0.00 7.12 -1.27 -3.29 115.31 117.81 1y0d h LEU 14 Ca -0.01 -0.75 0.08 0.00 0.13 0.00 0.00 57.88 57.33 1y0d h LEU 14 Cb 1.13 -0.25 -0.07 0.00 -0.53 0.00 0.00 40.66 40.94 1y0d h LEU 14 CO 0.09 1.46 0.56 -0.25 -0.13 0.00 0.00 178.44 180.16 1y0d h TRP 15 N 0.25 1.02 0.00 1.25 2.91 -1.05 -0.33 115.95 120.00 1y0d h TRP 15 Ca -0.12 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.93 1y0d h TRP 15 Cb 1.61 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 29.94 1y0d h TRP 15 CO 0.12 0.47 0.14 0.78 -1.03 0.00 0.00 178.44 178.91 1y0d h GLY 16 N 0.96 0.00 -1.77 2.65 0.00 -1.57 0.13 103.07 103.47 1y0d h GLY 16 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 1y0d h GLY 16 CO -0.21 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.61 1y0d n LYS 17 N -2.82 2.26 -3.19 4.80 5.02 -0.14 -4.95 118.16 119.13 1y0d n LYS 17 Ca -0.02 -1.84 -0.39 0.00 -2.02 0.00 0.00 58.31 54.04 1y0d n LYS 17 Cb 0.19 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.67 1y0d n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y0d s VAL 18 N -1.88 4.99 -0.62 -0.18 1.01 0.44 -5.02 120.40 119.15 1y0d s VAL 18 Ca 0.32 1.23 -0.21 0.00 0.00 0.00 0.00 61.98 63.32 1y0d s VAL 18 Cb 0.21 -3.93 0.08 0.00 0.00 0.00 0.00 36.38 32.74 1y0d s VAL 18 CO 0.31 0.37 0.84 0.21 0.00 0.00 0.00 175.10 176.83 1y0d s ASN 19 N 0.16 6.19 0.43 3.32 3.84 -1.26 -4.90 114.94 122.71 1y0d s ASN 19 Ca 0.31 -1.13 0.11 0.00 0.21 0.00 0.00 52.86 52.37 1y0d s ASN 19 Cb -0.18 -2.37 0.98 0.00 -0.55 0.00 0.00 41.25 39.14 1y0d s ASN 19 CO 0.16 -1.28 2.03 0.58 -2.79 0.00 0.00 177.10 175.81 1y0d h VAL 20 N 5.95 1.00 0.42 -5.21 2.07 -1.95 -2.08 116.25 116.45 1y0d h VAL 20 Ca -0.29 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1y0d h VAL 20 Cb 1.08 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1y0d h VAL 20 CO 1.13 0.08 -0.36 0.44 0.02 0.00 0.00 177.57 178.88 1y0d h ASP 21 N 0.44 -0.97 -0.14 0.57 5.19 -1.92 0.25 116.42 119.84 1y0d h ASP 21 Ca 0.19 0.08 -0.10 0.00 -0.62 0.00 0.00 57.03 56.58 1y0d h ASP 21 Cb 0.22 0.32 0.00 0.00 0.18 0.00 0.00 39.33 40.05 1y0d h ASP 21 CO -0.05 -0.52 -0.30 -0.33 -3.12 0.00 0.00 179.24 174.92 1y0d h GLU 22 N -0.79 0.45 -0.55 3.56 5.08 -1.93 -2.84 114.58 117.56 1y0d h GLU 22 Ca -0.04 -0.30 -0.04 0.00 -1.00 0.00 0.00 59.36 57.99 1y0d h GLU 22 Cb 0.69 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1y0d h GLU 22 CO -0.03 0.90 0.20 0.28 -1.00 0.00 0.00 179.01 179.36 1y0d h VAL 23 N 0.05 1.23 -0.63 3.13 2.07 -1.37 -1.27 116.25 119.46 1y0d h VAL 23 Ca 0.00 -0.73 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1y0d h VAL 23 Cb 0.90 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 1y0d h VAL 23 CO 0.07 0.28 0.30 1.23 0.02 0.00 0.00 177.57 179.46 1y0d h GLY 24 N 0.75 0.98 1.52 2.17 0.00 -1.03 -0.28 103.07 107.17 1y0d h GLY 24 Ca 0.18 -0.49 -0.14 0.00 0.00 0.00 0.00 47.33 46.88 1y0d h GLY 24 CO -0.01 0.46 -0.47 -1.33 0.00 0.00 0.00 176.54 175.19 1y0d h GLY 25 N 0.87 0.57 1.30 4.60 0.00 -1.29 -2.41 103.07 106.71 1y0d h GLY 25 Ca 0.22 -0.61 -0.27 0.00 0.00 0.00 0.00 47.33 46.67 1y0d h GLY 25 CO -0.03 0.55 -1.07 -2.09 0.00 0.00 0.00 176.54 173.90 1y0d h GLU 26 N 0.42 0.61 0.29 4.80 4.81 -1.04 -2.03 114.58 122.44 1y0d h GLU 26 Ca 0.02 -0.70 -0.01 0.00 -0.13 0.00 0.00 59.36 58.54 1y0d h GLU 26 Cb 0.98 0.21 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1y0d h GLU 26 CO 0.09 1.29 -0.14 0.00 -0.73 0.00 0.00 179.01 179.52 1y0d h ALA 27 N 0.46 -0.39 -0.79 2.92 0.00 -1.08 0.74 119.26 121.13 1y0d h ALA 27 Ca -0.13 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1y0d h ALA 27 Cb 1.72 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 19.63 1y0d h ALA 27 CO 0.20 -0.67 0.41 1.25 0.00 0.00 0.00 179.25 180.44 1y0d h LEU 28 N -0.49 0.99 -0.27 0.00 5.85 -1.54 -1.45 115.31 118.40 1y0d h LEU 28 Ca -0.04 -0.10 -0.14 0.00 0.84 0.00 0.00 57.88 58.44 1y0d h LEU 28 Cb 0.37 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1y0d h LEU 28 CO 0.07 0.82 -0.38 1.23 -0.34 0.00 0.00 178.44 179.84 1y0d h GLY 29 N 1.14 0.81 1.30 3.75 0.00 -1.23 -2.81 103.07 106.03 1y0d h GLY 29 Ca 0.27 -0.88 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 1y0d h GLY 29 CO -0.04 0.79 0.28 3.21 0.00 0.00 0.00 176.54 180.78 1y0d h ARG 30 N 0.48 0.90 -0.14 4.80 3.08 -0.63 -2.17 114.38 120.69 1y0d h ARG 30 Ca 0.03 -0.13 0.01 0.00 0.07 0.00 0.00 59.98 59.96 1y0d h ARG 30 Cb 0.97 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1y0d h ARG 30 CO 0.09 0.72 0.08 1.25 -1.07 0.00 0.00 179.97 181.04 1y0d h LEU 31 N 0.90 0.12 -2.03 3.04 5.85 -1.11 0.75 115.31 122.83 1y0d h LEU 31 Ca 0.22 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1y0d h LEU 31 Cb 0.13 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1y0d h LEU 31 CO -0.02 0.10 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.01 1y0d h LEU 32 N 0.17 0.00 0.03 2.25 3.38 -1.19 -2.27 115.31 117.68 1y0d h LEU 32 Ca 0.06 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.78 1y0d h LEU 32 Cb 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1y0d h LEU 32 CO -0.03 0.09 -1.35 0.58 0.09 0.00 0.00 178.44 177.83 1y0d h VAL 33 N 0.00 0.91 -0.20 1.22 2.07 -0.79 -3.32 116.25 116.15 1y0d h VAL 33 Ca -0.00 -2.23 -0.21 0.00 0.82 0.00 0.00 66.70 65.07 1y0d h VAL 33 Cb 0.26 2.37 0.01 0.00 -1.52 0.00 0.00 31.29 32.40 1y0d h VAL 33 CO 0.01 0.46 -0.70 0.58 0.02 0.00 0.00 177.57 177.94 1y0d h VAL 34 N -0.75 1.28 -2.60 2.57 2.07 -0.84 -3.36 116.25 114.61 1y0d h VAL 34 Ca -0.34 -1.89 -0.62 0.00 0.82 0.00 0.00 66.70 64.67 1y0d h VAL 34 Cb 1.46 1.87 -0.42 0.00 -1.52 0.00 0.00 31.29 32.68 1y0d h VAL 34 CO -0.13 0.61 -0.54 -1.22 0.02 0.00 0.00 177.57 176.31 1y0d n TYR 35 N -3.97 3.50 -0.15 1.57 4.01 -0.86 -4.98 117.16 116.28 1y0d n TYR 35 Ca -0.07 -4.19 0.28 0.00 -0.16 0.00 0.00 57.90 53.77 1y0d n TYR 35 Cb 0.71 -0.62 0.70 0.00 -0.31 0.00 0.00 39.34 39.82 1y0d n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1y0d h PRO 36 N 4.73 0.00 0.00 -0.72 0.13 -1.72 0.34 132.00 134.76 1y0d h PRO 36 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1y0d h PRO 36 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 1y0d h PRO 36 CO 0.80 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.68 1y0d h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -2.04 115.95 113.65 1y0d h TRP 37 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.39 1y0d h TRP 37 Cb 1.91 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.15 1y0d h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1y0d h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.23 -2.65 112.91 110.50 1y0d h THR 38 Ca 0.00 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 1y0d h THR 38 Cb 0.36 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.73 1y0d h THR 38 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1y0d n GLN 39 N -2.44 0.05 0.32 4.72 6.02 -0.77 -3.12 117.38 122.16 1y0d n GLN 39 Ca 0.01 0.36 0.20 0.00 -0.01 0.00 0.00 57.00 57.56 1y0d n GLN 39 Cb 0.19 -1.61 1.08 0.00 1.02 0.00 0.00 30.24 30.92 1y0d n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1y0d h ARG 40 N 0.00 0.00 -0.01 -1.09 0.11 -1.70 -2.15 114.38 109.54 1y0d h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1y0d h ARG 40 Cb 0.21 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.29 1y0d h ARG 40 CO 0.00 0.00 -0.43 1.19 0.10 0.00 0.00 179.97 180.83 1y0d n PHE 41 N -3.21 0.00 -2.44 4.08 3.01 -1.18 -4.52 117.46 113.20 1y0d n PHE 41 Ca -0.02 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.22 1y0d n PHE 41 Cb 0.15 -0.04 0.01 0.00 -0.01 0.00 0.00 39.48 39.59 1y0d n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1y0d n PHE 42 N -0.29 2.80 0.10 1.38 3.01 -0.81 -4.82 117.46 118.83 1y0d n PHE 42 Ca 0.10 -2.83 -0.05 0.00 1.01 0.00 0.00 57.45 55.67 1y0d n PHE 42 Cb 0.43 -0.19 0.07 0.00 -0.01 0.00 0.00 39.48 39.77 1y0d n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1y0d h GLU 43 N 2.57 0.11 0.00 -1.08 4.39 -1.80 -3.03 114.58 115.75 1y0d h GLU 43 Ca 0.22 -0.10 0.00 0.00 0.34 0.00 0.00 59.36 59.82 1y0d h GLU 43 Cb 1.10 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.78 1y0d h GLU 43 CO 0.74 0.80 0.00 -1.13 -1.16 0.00 0.00 179.01 178.26 1y0d n SER 44 N -3.71 0.00 0.10 1.42 3.41 -1.26 -3.06 113.62 110.51 1y0d n SER 44 Ca -0.02 0.27 -0.03 0.00 -0.26 0.00 0.00 58.87 58.83 1y0d n SER 44 Cb 0.72 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 64.26 1y0d n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1y0d h PHE 45 N 0.00 0.00 0.00 7.33 0.05 -1.91 -3.50 116.94 118.91 1y0d h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1y0d h PHE 45 Cb 0.23 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.18 1y0d h PHE 45 CO 0.00 0.78 0.00 0.41 -0.18 0.00 0.00 178.31 179.32 1y0d n GLY 46 N 1.12 0.11 3.59 -1.45 0.00 -1.17 -4.82 105.19 102.57 1y0d n GLY 46 Ca 0.00 -1.65 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 1y0d n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y0d s ASP 47 N -4.00 6.61 -0.08 1.61 3.68 -1.26 -4.86 116.67 118.38 1y0d s ASP 47 Ca 0.00 0.41 0.11 0.00 2.13 0.00 0.00 52.55 55.20 1y0d s ASP 47 Cb 0.00 -2.46 0.17 0.00 -1.45 0.00 0.00 42.92 39.18 1y0d s ASP 47 CO 0.00 -0.94 1.06 0.18 0.13 0.00 0.00 175.17 175.60 1y0d n LEU 48 N 6.96 1.68 0.27 -1.34 4.77 -1.26 -4.12 117.00 123.96 1y0d n LEU 48 Ca 0.07 -2.31 0.11 0.00 -0.03 0.00 0.00 56.01 53.85 1y0d n LEU 48 Cb 0.48 -0.25 0.76 0.00 -2.33 0.00 0.00 43.42 42.08 1y0d n LEU 48 CO 0.61 0.54 1.06 0.28 -1.33 0.00 0.00 177.39 178.55 1y0d h SER 49 N 0.00 0.00 -5.17 -1.43 0.02 -1.91 -3.44 113.55 101.61 1y0d h SER 49 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1y0d h SER 49 Cb 1.00 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.38 1y0d h SER 49 CO 0.00 0.04 -0.61 0.42 -1.14 0.00 0.00 176.83 175.54 1y0d s THR 50 N -4.70 0.18 0.18 -2.27 -4.23 -1.26 -5.01 115.64 98.53 1y0d s THR 50 Ca -0.05 -1.48 -0.13 0.00 -1.18 0.00 0.00 61.69 58.85 1y0d s THR 50 Cb 0.15 -1.22 0.10 0.00 1.34 0.00 0.00 72.50 72.88 1y0d s THR 50 CO 0.61 -0.82 1.71 -0.65 -0.54 0.00 0.00 174.62 174.93 1y0d h PRO 51 N 3.38 0.21 -0.73 3.99 0.11 -1.98 0.16 132.00 137.14 1y0d h PRO 51 Ca -0.33 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.83 1y0d h PRO 51 Cb 1.16 -0.05 -0.06 0.00 0.11 0.00 0.00 31.00 32.17 1y0d h PRO 51 CO 0.59 0.14 0.41 -0.44 -0.21 0.00 0.00 178.00 178.49 1y0d h ASP 52 N 0.22 0.61 0.02 -2.05 3.32 -1.97 0.43 116.42 116.98 1y0d h ASP 52 Ca 0.24 0.03 -0.10 0.00 0.02 0.00 0.00 57.03 57.22 1y0d h ASP 52 Cb 0.33 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1y0d h ASP 52 CO -0.33 0.38 -0.32 0.00 -1.72 0.00 0.00 179.24 177.26 1y0d h ALA 53 N 1.38 1.06 0.04 3.45 0.00 -1.37 -1.97 119.26 121.86 1y0d h ALA 53 Ca 0.33 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1y0d h ALA 53 Cb 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1y0d h ALA 53 CO -0.20 0.58 -0.02 0.28 0.00 0.00 0.00 179.25 179.89 1y0d h VAL 54 N 0.38 1.25 -0.78 0.00 2.07 0.10 -2.30 116.25 116.96 1y0d h VAL 54 Ca 0.05 -1.72 0.14 0.00 0.82 0.00 0.00 66.70 65.98 1y0d h VAL 54 Cb 0.74 2.27 -0.05 0.00 -1.52 0.00 0.00 31.29 32.73 1y0d h VAL 54 CO 0.06 0.39 0.52 0.24 0.02 0.00 0.00 177.57 178.79 1y0d h MET 55 N -0.91 0.51 0.00 1.57 2.07 -0.21 -1.79 114.93 116.17 1y0d h MET 55 Ca -0.01 -0.03 -0.19 0.00 -2.07 0.00 0.00 59.70 57.40 1y0d h MET 55 Cb 0.68 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 30.26 1y0d h MET 55 CO 0.01 0.34 -1.03 0.78 1.07 0.00 0.00 176.91 178.08 1y0d h GLY 56 N 0.53 0.00 -5.73 8.32 0.00 -1.44 -3.47 103.07 101.28 1y0d h GLY 56 Ca 0.38 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 47.14 1y0d h GLY 56 CO -0.14 0.00 1.22 -2.01 0.00 0.00 0.00 176.54 175.61 1y0d n ASN 57 N -3.22 3.74 0.22 0.19 2.85 -0.68 -4.85 115.26 113.52 1y0d n ASN 57 Ca -0.03 0.84 0.09 0.00 -0.11 0.00 0.00 54.58 55.37 1y0d n ASN 57 Cb 0.89 -1.46 0.50 0.00 1.24 0.00 0.00 39.78 40.95 1y0d n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1y0d h PRO 58 N 10.58 0.00 -0.05 1.20 0.13 -1.90 -1.51 132.00 140.45 1y0d h PRO 58 Ca -0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.52 1y0d h PRO 58 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 1y0d h PRO 58 CO 0.95 0.24 -0.58 0.87 -0.23 0.00 0.00 178.00 179.25 1y0d h LYS 59 N 0.00 0.15 -0.04 0.86 1.57 -1.88 -1.24 116.57 115.99 1y0d h LYS 59 Ca -0.00 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.63 1y0d h LYS 59 Cb 0.65 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1y0d h LYS 59 CO 0.03 0.69 -0.15 0.28 -0.57 0.00 0.00 179.45 179.74 1y0d h VAL 60 N 0.12 1.47 -0.54 0.50 2.07 -1.73 -1.74 116.25 116.40 1y0d h VAL 60 Ca -0.00 -1.61 0.02 0.00 0.82 0.00 0.00 66.70 65.92 1y0d h VAL 60 Cb 1.06 2.43 -0.03 0.00 -1.52 0.00 0.00 31.29 33.23 1y0d h VAL 60 CO 0.09 0.44 0.34 0.11 0.02 0.00 0.00 177.57 178.57 1y0d h LYS 61 N -0.40 0.66 -0.02 1.57 6.56 -1.25 0.45 116.57 124.14 1y0d h LYS 61 Ca -0.01 -0.04 -0.14 0.00 -1.06 0.00 0.00 60.65 59.40 1y0d h LYS 61 Cb 0.79 -0.15 -0.02 0.00 -0.57 0.00 0.00 32.23 32.29 1y0d h LYS 61 CO 0.03 0.44 -0.64 0.00 -2.06 0.00 0.00 179.45 177.22 1y0d h ALA 62 N 1.22 0.91 -0.19 3.86 0.00 -1.28 -2.53 119.26 121.25 1y0d h ALA 62 Ca 0.21 -0.58 -0.19 0.00 0.00 0.00 0.00 54.91 54.35 1y0d h ALA 62 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1y0d h ALA 62 CO -0.07 0.79 -0.64 1.25 0.00 0.00 0.00 179.25 180.57 1y0d h HIS 63 N 0.04 0.88 -0.56 0.00 -0.00 -0.86 -2.75 115.15 111.90 1y0d h HIS 63 Ca -0.01 -0.35 0.04 0.00 -0.00 0.00 0.00 60.37 60.05 1y0d h HIS 63 Cb 1.14 -0.15 -0.04 0.00 -0.00 0.00 0.00 27.41 28.35 1y0d h HIS 63 CO 0.01 1.14 0.32 0.78 -0.00 0.00 0.00 177.93 180.17 1y0d h GLY 64 N 0.87 0.80 1.52 5.26 0.00 -0.73 -0.30 103.07 110.49 1y0d h GLY 64 Ca -0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.02 1y0d h GLY 64 CO 0.13 0.17 -0.04 1.70 0.00 0.00 0.00 176.54 178.50 1y0d h LYS 65 N 0.62 0.59 -0.26 4.80 3.11 -1.46 0.38 116.57 124.36 1y0d h LYS 65 Ca 0.24 -0.15 -0.20 0.00 -2.81 0.00 0.00 60.65 57.74 1y0d h LYS 65 Cb 0.09 -0.07 0.00 0.00 -1.00 0.00 0.00 32.23 31.25 1y0d h LYS 65 CO -0.13 0.64 -0.60 -0.22 -2.81 0.00 0.00 179.45 176.33 1y0d h LYS 66 N 0.55 0.86 0.13 1.90 3.64 -1.09 -1.13 116.57 121.43 1y0d h LYS 66 Ca 0.11 -0.58 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 1y0d h LYS 66 Cb 0.41 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.32 1y0d h LYS 66 CO 0.02 1.21 -0.06 0.28 -2.27 0.00 0.00 179.45 178.63 1y0d h VAL 67 N 0.64 1.01 0.00 2.00 2.07 -0.74 -2.45 116.25 118.77 1y0d h VAL 67 Ca -0.00 -0.61 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 1y0d h VAL 67 Cb 1.22 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1y0d h VAL 67 CO 0.13 0.14 -0.18 -0.07 0.02 0.00 0.00 177.57 177.62 1y0d h LEU 68 N -0.47 0.00 0.72 2.57 -0.00 -0.97 -0.49 115.31 116.68 1y0d h LEU 68 Ca -0.02 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.83 1y0d h LEU 68 Cb 0.37 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.04 1y0d h LEU 68 CO 0.03 0.18 -0.35 1.23 -0.00 0.00 0.00 178.44 179.53 1y0d h GLY 69 N 0.72 -1.01 1.08 0.83 0.00 -1.09 0.87 103.07 104.48 1y0d h GLY 69 Ca -0.00 0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.73 1y0d h GLY 69 CO 0.02 -0.37 0.54 0.00 0.00 0.00 0.00 176.54 176.74 1y0d h ALA 70 N -0.91 1.49 0.37 3.60 0.00 -1.06 -0.15 119.26 122.59 1y0d h ALA 70 Ca -0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1y0d h ALA 70 Cb 0.77 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1y0d h ALA 70 CO 0.16 0.43 -0.18 0.35 0.00 0.00 0.00 179.25 180.01 1y0d h PHE 71 N 1.02 -0.46 -0.72 0.00 3.57 -0.84 -2.54 116.94 116.98 1y0d h PHE 71 Ca 0.33 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.97 1y0d h PHE 71 Cb 0.03 0.15 -0.11 0.00 2.79 0.00 0.00 35.95 38.81 1y0d h PHE 71 CO -0.00 -0.27 0.18 1.03 -2.23 0.00 0.00 178.31 177.02 1y0d h SER 72 N -0.52 0.03 0.28 0.41 0.87 0.16 0.11 113.55 114.90 1y0d h SER 72 Ca -0.05 0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 60.61 1y0d h SER 72 Cb 0.39 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1y0d h SER 72 CO 0.08 -0.02 -0.20 0.44 -0.53 0.00 0.00 176.83 176.60 1y0d h ASP 73 N 0.28 0.00 0.93 6.23 3.32 -0.83 -2.84 116.42 123.52 1y0d h ASP 73 Ca 0.40 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.41 1y0d h ASP 73 Cb 0.67 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.22 1y0d h ASP 73 CO -0.49 0.20 -0.19 1.23 -1.72 0.00 0.00 179.24 178.27 1y0d h GLY 74 N 0.75 0.00 1.71 2.75 0.00 -0.55 -2.92 103.07 104.82 1y0d h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1y0d h GLY 74 CO 0.03 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.61 1y0d n LEU 75 N -3.36 0.00 -0.05 3.11 4.77 -1.07 -1.49 117.00 118.91 1y0d n LEU 75 Ca 0.00 0.36 0.11 0.00 -0.03 0.00 0.00 56.01 56.45 1y0d n LEU 75 Cb 0.41 -0.36 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1y0d n LEU 75 CO 0.32 -0.14 0.23 0.00 -1.33 0.00 0.00 177.39 176.48 1y0d n ALA 76 N -1.36 4.07 -2.52 -1.18 0.00 -1.10 -4.21 120.51 114.22 1y0d n ALA 76 Ca 0.07 -0.49 -0.11 0.00 0.00 0.00 0.00 53.44 52.92 1y0d n ALA 76 Cb 0.17 -0.94 0.03 0.00 0.00 0.00 0.00 19.45 18.71 1y0d n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y0d n HIS 77 N -1.34 1.91 0.15 0.00 8.25 -0.56 -4.91 115.22 118.72 1y0d n HIS 77 Ca 0.06 -2.29 0.09 0.00 -0.26 0.00 0.00 57.72 55.32 1y0d n HIS 77 Cb 0.34 -0.27 0.51 0.00 1.12 0.00 0.00 29.99 31.69 1y0d n HIS 77 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1y0d n LEU 78 N -0.58 0.48 -0.30 2.41 7.94 -1.18 0.00 117.00 125.77 1y0d n LEU 78 Ca 0.22 0.71 0.12 0.00 -1.11 0.00 0.00 56.01 55.95 1y0d n LEU 78 Cb 0.85 -0.76 0.17 0.00 0.53 0.00 0.00 43.42 44.21 1y0d n LEU 78 CO 0.22 -0.88 0.43 0.47 -1.11 0.00 0.00 177.39 176.52 1y0d n ASP 79 N -2.16 1.37 -2.75 1.96 10.43 -1.26 -1.74 116.55 122.40 1y0d n ASP 79 Ca -0.01 -1.09 -0.09 0.00 2.57 0.00 0.00 54.79 56.16 1y0d n ASP 79 Cb 0.07 0.37 0.07 0.00 1.84 0.00 0.00 41.12 43.46 1y0d n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1y0d n ASN 80 N -0.56 -2.41 0.09 -2.24 5.15 0.10 -4.93 115.26 110.45 1y0d n ASN 80 Ca 0.10 -3.57 -0.00 0.00 -0.60 0.00 0.00 54.58 50.50 1y0d n ASN 80 Cb 0.39 1.83 0.29 0.00 -0.53 0.00 0.00 39.78 41.76 1y0d n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1y0d h LEU 81 N 3.29 0.29 0.24 1.20 3.38 -1.72 -0.86 115.31 121.14 1y0d h LEU 81 Ca -0.11 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1y0d h LEU 81 Cb 1.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1y0d h LEU 81 CO 0.20 0.55 -0.20 0.50 0.09 0.00 0.00 178.44 179.58 1y0d h LYS 82 N 0.26 -0.44 0.00 1.13 1.63 -1.90 0.29 116.57 117.55 1y0d h LYS 82 Ca 0.04 0.03 -0.11 0.00 -0.85 0.00 0.00 60.65 59.77 1y0d h LYS 82 Cb 0.59 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.31 1y0d h LYS 82 CO 0.04 -0.29 -0.50 0.78 -3.45 0.00 0.00 179.45 176.03 1y0d h GLY 83 N -0.45 0.00 1.44 5.01 0.00 -1.91 -2.24 103.07 104.92 1y0d h GLY 83 Ca -0.01 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.18 1y0d h GLY 83 CO -0.02 0.00 -0.41 -0.84 0.00 0.00 0.00 176.54 175.27 1y0d h THR 84 N 0.00 1.30 -0.57 4.70 2.02 -0.64 -3.27 112.91 116.45 1y0d h THR 84 Ca -0.01 -1.59 0.00 0.00 0.77 0.00 0.00 66.41 65.59 1y0d h THR 84 Cb 0.99 1.55 0.00 0.00 -1.74 0.00 0.00 68.15 68.94 1y0d h THR 84 CO 0.07 0.50 0.00 0.49 0.37 0.00 0.00 175.52 176.95 1y0d n PHE 85 N -4.03 0.75 -0.13 3.16 3.01 0.04 -4.70 117.46 115.57 1y0d n PHE 85 Ca -0.02 -0.45 -0.05 0.00 1.01 0.00 0.00 57.45 57.94 1y0d n PHE 85 Cb 0.53 -0.01 0.02 0.00 -0.01 0.00 0.00 39.48 40.01 1y0d n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y0d h ALA 86 N 3.65 0.23 -0.37 4.37 0.00 -1.46 0.12 119.26 125.80 1y0d h ALA 86 Ca 0.00 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1y0d h ALA 86 Cb 0.91 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1y0d h ALA 86 CO 0.00 -0.48 -0.27 1.15 0.00 0.00 0.00 179.25 179.65 1y0d h THR 87 N -0.04 1.28 -0.31 0.00 2.02 -1.86 -2.32 112.91 111.68 1y0d h THR 87 Ca 0.20 -1.40 -0.10 0.00 0.77 0.00 0.00 66.41 65.88 1y0d h THR 87 Cb 0.35 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1y0d h THR 87 CO -0.45 0.46 -0.25 0.25 0.37 0.00 0.00 175.52 175.90 1y0d h LEU 88 N 0.66 0.61 -0.50 2.58 5.85 -1.78 -1.88 115.31 120.84 1y0d h LEU 88 Ca 0.08 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1y0d h LEU 88 Cb 0.79 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1y0d h LEU 88 CO 0.06 0.84 0.14 -1.28 -0.34 0.00 0.00 178.44 177.87 1y0d h SER 89 N 0.53 0.73 -0.63 1.25 0.87 -0.57 -1.54 113.55 114.19 1y0d h SER 89 Ca 0.07 -0.22 -0.09 0.00 -1.23 0.00 0.00 61.79 60.33 1y0d h SER 89 Cb 0.70 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.45 1y0d h SER 89 CO 0.05 0.76 0.06 -0.33 -0.53 0.00 0.00 176.83 176.84 1y0d h GLU 90 N 0.67 1.07 -0.28 2.24 5.08 -1.30 -2.51 114.58 119.55 1y0d h GLU 90 Ca 0.16 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1y0d h GLU 90 Cb 0.30 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 1y0d h GLU 90 CO -0.00 1.02 0.12 1.25 -1.00 0.00 0.00 179.01 180.40 1y0d h LEU 91 N 0.98 0.38 -1.46 1.33 5.85 -1.12 0.11 115.31 121.38 1y0d h LEU 91 Ca 0.19 -0.14 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 1y0d h LEU 91 Cb 0.50 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1y0d h LEU 91 CO 0.02 0.42 -0.27 0.45 -0.34 0.00 0.00 178.44 178.72 1y0d h HIS 92 N 0.31 0.00 0.01 1.25 3.86 -1.25 0.17 115.15 119.51 1y0d h HIS 92 Ca 0.10 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1y0d h HIS 92 Cb 0.15 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1y0d h HIS 92 CO -0.01 0.27 -0.00 0.00 0.86 0.00 0.00 177.93 179.05 1y0d h ASP 94 N -0.13 0.31 0.00 0.00 3.32 -0.86 -2.86 116.42 116.20 1y0d h ASP 94 Ca -0.00 -0.11 -0.25 0.00 0.02 0.00 0.00 57.03 56.69 1y0d h ASP 94 Cb 0.01 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.43 1y0d h ASP 94 CO 0.00 0.62 -1.86 0.29 -1.72 0.00 0.00 179.24 176.58 1y0d n LYS 95 N -4.09 0.34 0.11 3.56 4.01 0.46 -4.77 118.16 117.78 1y0d n LYS 95 Ca -0.01 0.12 0.11 0.00 -0.51 0.00 0.00 58.31 58.02 1y0d n LYS 95 Cb 0.42 -1.15 0.01 0.00 -0.51 0.00 0.00 35.03 33.81 1y0d n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1y0d h LEU 96 N -0.35 0.00 -1.90 -0.35 3.38 -1.25 -3.49 115.31 111.35 1y0d h LEU 96 Ca -0.37 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.19 1y0d h LEU 96 Cb 1.41 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.22 1y0d h LEU 96 CO -0.17 0.04 -0.84 1.41 0.09 0.00 0.00 178.44 178.97 1y0d n HIS 97 N -2.73 -1.94 -3.53 1.13 8.25 -0.00 -4.96 115.22 111.44 1y0d n HIS 97 Ca -0.00 0.82 -0.38 0.00 -0.26 0.00 0.00 57.72 57.90 1y0d n HIS 97 Cb 0.57 -4.34 -0.09 0.00 1.12 0.00 0.00 29.99 27.25 1y0d n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1y0d s VAL 98 N -3.64 5.28 0.09 1.59 1.01 -0.25 -5.04 120.40 119.43 1y0d s VAL 98 Ca 0.05 0.41 -0.31 0.00 0.00 0.00 0.00 61.98 62.13 1y0d s VAL 98 Cb -0.01 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.69 1y0d s VAL 98 CO 0.81 0.28 1.39 -0.62 0.00 0.00 0.00 175.10 176.96 1y0d s ASP 99 N 1.18 6.84 0.29 3.32 3.68 -1.26 -4.75 116.67 125.97 1y0d s ASP 99 Ca 0.12 2.27 0.19 0.00 2.13 0.00 0.00 52.55 57.26 1y0d s ASP 99 Cb -0.14 -2.58 1.03 0.00 -1.45 0.00 0.00 42.92 39.78 1y0d s ASP 99 CO 0.07 -0.66 1.57 -2.65 0.13 0.00 0.00 175.17 173.63 1y0d n PRO 100 N 4.29 0.12 0.18 4.34 -0.02 -1.26 -1.22 135.00 141.43 1y0d n PRO 100 Ca 0.12 0.62 0.05 0.00 -2.02 0.00 0.00 63.50 62.27 1y0d n PRO 100 Cb 0.43 -1.93 0.51 0.00 -0.02 0.00 0.00 33.50 32.49 1y0d n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1y0d h GLU 101 N 0.00 0.13 -0.19 -0.52 4.57 -1.98 -0.40 114.58 116.19 1y0d h GLU 101 Ca 0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 1y0d h GLU 101 Cb 0.04 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.60 1y0d h GLU 101 CO 0.00 0.20 0.13 -0.91 -1.18 0.00 0.00 179.01 177.24 1y0d h ASN 102 N 0.13 0.22 0.00 1.04 4.21 -1.54 -0.89 115.58 118.75 1y0d h ASN 102 Ca 0.03 -0.01 -0.07 0.00 1.21 0.00 0.00 56.30 57.46 1y0d h ASN 102 Cb 0.18 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.32 1y0d h ASN 102 CO 0.01 0.16 -0.20 -0.26 -1.29 0.00 0.00 177.43 175.85 1y0d h PHE 103 N 0.26 0.38 -0.09 1.19 0.04 -1.23 -1.79 116.94 115.69 1y0d h PHE 103 Ca 0.07 -0.06 -0.15 0.00 2.80 0.00 0.00 57.97 60.62 1y0d h PHE 103 Cb -0.03 -0.10 0.01 0.00 2.20 0.00 0.00 35.95 38.03 1y0d h PHE 103 CO 0.00 0.53 -0.54 0.00 -0.60 0.00 0.00 178.31 177.70 1y0d h ARG 104 N 0.32 0.53 -0.40 1.51 3.08 -1.20 -2.53 114.38 115.70 1y0d h ARG 104 Ca 0.06 -0.45 0.04 0.00 0.07 0.00 0.00 59.98 59.69 1y0d h ARG 104 Cb 0.53 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.64 1y0d h ARG 104 CO 0.04 1.08 0.19 -0.07 -1.07 0.00 0.00 179.97 180.13 1y0d h LEU 105 N 0.13 0.26 -0.49 3.04 3.38 -1.12 -2.07 115.31 118.44 1y0d h LEU 105 Ca -0.04 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1y0d h LEU 105 Cb 1.19 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.90 1y0d h LEU 105 CO 0.11 0.19 0.31 0.25 0.09 0.00 0.00 178.44 179.39 1y0d h LEU 106 N 0.38 0.53 -0.45 1.67 5.85 -1.35 -0.72 115.31 121.22 1y0d h LEU 106 Ca 0.18 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.98 1y0d h LEU 106 Cb 0.10 -0.12 -0.09 0.00 0.37 0.00 0.00 40.66 40.92 1y0d h LEU 106 CO -0.14 0.38 -0.14 1.23 -0.34 0.00 0.00 178.44 179.44 1y0d h GLY 107 N 0.63 0.28 1.28 3.75 0.00 -0.99 0.76 103.07 108.77 1y0d h GLY 107 Ca 0.18 0.18 -0.12 0.00 0.00 0.00 0.00 47.33 47.58 1y0d h GLY 107 CO -0.06 -0.18 -0.20 3.43 0.00 0.00 0.00 176.54 179.53 1y0d h ASN 108 N -0.03 0.84 -0.37 0.19 2.35 -1.03 -1.12 115.58 116.42 1y0d h ASN 108 Ca 0.22 -0.30 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 1y0d h ASN 108 Cb 0.36 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 1y0d h ASN 108 CO -0.48 1.02 0.13 0.58 -1.65 0.00 0.00 177.43 177.04 1y0d h VAL 109 N 0.73 1.20 -0.34 2.81 2.07 0.46 -2.40 116.25 120.79 1y0d h VAL 109 Ca 0.10 -0.63 0.07 0.00 0.82 0.00 0.00 66.70 67.07 1y0d h VAL 109 Cb 0.72 0.93 -0.08 0.00 -1.52 0.00 0.00 31.29 31.34 1y0d h VAL 109 CO 0.06 0.22 -0.24 0.25 0.02 0.00 0.00 177.57 177.88 1y0d h LEU 110 N 0.45 -0.78 -1.19 2.57 5.85 0.79 0.59 115.31 123.59 1y0d h LEU 110 Ca 0.12 0.15 0.07 0.00 0.84 0.00 0.00 57.88 59.06 1y0d h LEU 110 Cb 0.22 0.39 -0.06 0.00 0.37 0.00 0.00 40.66 41.58 1y0d h LEU 110 CO -0.01 -0.26 0.57 0.58 -0.34 0.00 0.00 178.44 178.98 1y0d h VAL 111 N -0.20 1.04 -0.29 1.05 2.07 -1.01 -0.35 116.25 118.57 1y0d h VAL 111 Ca 0.17 -0.33 -0.15 0.00 0.82 0.00 0.00 66.70 67.21 1y0d h VAL 111 Cb 0.46 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1y0d h VAL 111 CO -0.45 0.18 -0.41 0.00 0.02 0.00 0.00 177.57 176.90 1y0d h VAL 113 N 0.57 1.25 -0.89 0.00 2.07 0.23 -0.62 116.25 118.87 1y0d h VAL 113 Ca 0.05 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.64 1y0d h VAL 113 Cb 0.95 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 1y0d h VAL 113 CO 0.09 0.31 0.50 -0.07 0.02 0.00 0.00 177.57 178.41 1y0d h LEU 114 N 0.50 1.11 -0.41 2.57 3.38 -1.01 -1.27 115.31 120.18 1y0d h LEU 114 Ca 0.12 -0.09 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1y0d h LEU 114 Cb 0.40 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1y0d h LEU 114 CO 0.01 0.88 0.01 0.00 0.09 0.00 0.00 178.44 179.43 1y0d h ALA 115 N 1.30 0.55 -0.45 1.53 0.00 -1.19 0.38 119.26 121.37 1y0d h ALA 115 Ca 0.32 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 55.05 1y0d h ALA 115 Cb 0.01 -0.15 -0.07 0.00 0.00 0.00 0.00 17.79 17.59 1y0d h ALA 115 CO -0.05 0.32 0.07 1.25 0.00 0.00 0.00 179.25 180.84 1y0d h HIS 116 N 0.55 0.11 0.01 0.00 -0.00 -0.64 -1.12 115.15 114.05 1y0d h HIS 116 Ca 0.12 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.51 1y0d h HIS 116 Cb 0.47 0.02 0.00 0.00 -0.00 0.00 0.00 27.41 27.90 1y0d h HIS 116 CO 0.04 -0.02 -0.01 0.45 -0.00 0.00 0.00 177.93 178.39 1y0d h HIS 117 N 0.20 -0.02 -0.06 5.26 -0.00 -1.11 -3.36 115.15 116.06 1y0d h HIS 117 Ca 0.23 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.60 1y0d h HIS 117 Cb 0.30 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.72 1y0d h HIS 117 CO -0.23 0.54 0.00 1.19 -0.00 0.00 0.00 177.93 179.42 1y0d n PHE 118 N -4.83 0.05 0.00 2.45 3.01 0.11 -5.00 117.46 113.25 1y0d n PHE 118 Ca -0.09 -0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1y0d n PHE 118 Cb 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 1y0d n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y0d n GLY 119 N 1.30 1.33 0.38 1.37 0.00 -0.43 -0.03 105.19 109.11 1y0d n GLY 119 Ca 0.16 0.36 -0.03 0.00 0.00 0.00 0.00 46.02 46.50 1y0d n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y0d h LYS 120 N 0.00 -0.05 -0.28 1.61 1.57 -1.94 -0.28 116.57 117.20 1y0d h LYS 120 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 1y0d h LYS 120 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1y0d h LYS 120 CO 0.00 -0.03 0.28 1.49 -0.57 0.00 0.00 179.45 180.62 1y0d h GLU 121 N -0.05 0.00 -3.80 3.15 4.81 -0.86 -3.30 114.58 114.53 1y0d h GLU 121 Ca 0.29 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.77 1y0d h GLU 121 Cb 0.57 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 29.78 1y0d h GLU 121 CO -0.91 0.00 1.75 0.34 -0.73 0.00 0.00 179.01 179.47 1y0d n PHE 122 N -3.89 3.48 -1.59 0.92 7.35 -0.12 -4.92 117.46 118.70 1y0d n PHE 122 Ca 0.04 -2.95 -0.31 0.00 -0.76 0.00 0.00 57.45 53.47 1y0d n PHE 122 Cb 0.43 -1.97 0.05 0.00 0.35 0.00 0.00 39.48 38.34 1y0d n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y0d s THR 123 N 0.49 3.98 0.23 -2.13 -4.23 -1.25 -4.74 115.64 108.00 1y0d s THR 123 Ca 0.40 0.66 -0.09 0.00 -1.18 0.00 0.00 61.69 61.48 1y0d s THR 123 Cb 0.06 -3.38 0.26 0.00 1.34 0.00 0.00 72.50 70.78 1y0d s THR 123 CO 0.01 -0.82 1.63 -0.65 -0.54 0.00 0.00 174.62 174.25 1y0d h PRO 124 N -0.65 0.07 -0.28 3.99 0.11 -1.94 0.39 132.00 133.69 1y0d h PRO 124 Ca -0.44 -0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 1y0d h PRO 124 Cb 1.21 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1y0d h PRO 124 CO 0.57 0.05 -0.10 -1.35 -0.21 0.00 0.00 178.00 176.95 1y0d h PRO 125 N 0.07 0.46 -0.11 1.05 0.11 -1.99 -0.63 132.00 130.96 1y0d h PRO 125 Ca 0.37 -0.12 -0.23 0.00 0.11 0.00 0.00 66.00 66.13 1y0d h PRO 125 Cb 0.62 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.68 1y0d h PRO 125 CO -0.65 0.56 -0.83 0.28 -0.21 0.00 0.00 178.00 177.15 1y0d h VAL 126 N 0.43 1.30 -0.56 3.15 2.07 -0.78 -2.80 116.25 119.07 1y0d h VAL 126 Ca 0.08 -2.07 -0.00 0.00 0.82 0.00 0.00 66.70 65.53 1y0d h VAL 126 Cb 0.44 2.09 -0.03 0.00 -1.52 0.00 0.00 31.29 32.28 1y0d h VAL 126 CO 0.02 0.65 0.33 -0.61 0.02 0.00 0.00 177.57 177.98 1y0d h GLN 127 N 0.46 0.76 -0.66 1.57 4.15 -0.18 -1.88 115.11 119.33 1y0d h GLN 127 Ca -0.06 -0.07 0.09 0.00 0.77 0.00 0.00 58.65 59.37 1y0d h GLN 127 Cb 1.45 -0.16 -0.07 0.00 0.21 0.00 0.00 27.48 28.92 1y0d h GLN 127 CO 0.16 0.55 0.31 0.00 -1.93 0.00 0.00 178.83 177.92 1y0d h ALA 128 N 1.16 0.89 -0.42 3.38 0.00 -1.08 0.24 119.26 123.43 1y0d h ALA 128 Ca 0.20 0.06 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 1y0d h ALA 128 Cb -0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1y0d h ALA 128 CO -0.04 -0.09 -0.17 0.00 0.00 0.00 0.00 179.25 178.95 1y0d h ALA 129 N 1.41 0.91 -0.29 0.00 0.00 -1.30 -2.44 119.26 117.56 1y0d h ALA 129 Ca 0.32 -0.35 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1y0d h ALA 129 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1y0d h ALA 129 CO -0.27 0.62 -0.40 1.88 0.00 0.00 0.00 179.25 181.08 1y0d h TYR 130 N 0.71 0.82 -0.96 0.00 0.05 -0.37 -2.23 116.97 114.99 1y0d h TYR 130 Ca 0.11 -0.24 0.01 0.00 0.05 0.00 0.00 58.73 58.65 1y0d h TYR 130 Cb 0.68 -0.17 -0.05 0.00 1.01 0.00 0.00 36.73 38.20 1y0d h TYR 130 CO 0.04 0.98 0.63 1.96 -1.05 0.00 0.00 178.16 180.72 1y0d h GLN 131 N 0.56 1.25 -0.11 4.88 1.08 -0.49 0.18 115.11 122.47 1y0d h GLN 131 Ca 0.05 -0.08 -0.10 0.00 -1.45 0.00 0.00 58.65 57.07 1y0d h GLN 131 Cb 0.94 -0.28 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1y0d h GLN 131 CO 0.09 0.83 -0.40 0.87 -0.95 0.00 0.00 178.83 179.26 1y0d h LYS 132 N 1.29 0.24 -0.01 1.46 1.57 -1.08 -1.96 116.57 118.08 1y0d h LYS 132 Ca 0.35 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 59.01 1y0d h LYS 132 Cb -0.14 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1y0d h LYS 132 CO -0.08 0.61 -0.04 0.28 -0.57 0.00 0.00 179.45 179.65 1y0d h VAL 133 N 0.20 1.50 -0.37 0.50 2.07 -0.64 -1.74 116.25 117.77 1y0d h VAL 133 Ca 0.02 -1.52 -0.03 0.00 0.82 0.00 0.00 66.70 65.99 1y0d h VAL 133 Cb 0.80 2.49 -0.02 0.00 -1.52 0.00 0.00 31.29 33.04 1y0d h VAL 133 CO 0.06 0.40 0.10 -0.37 0.02 0.00 0.00 177.57 177.79 1y0d h VAL 134 N -0.57 1.16 -0.14 2.57 -1.51 -0.67 -0.17 116.25 116.92 1y0d h VAL 134 Ca -0.00 -0.56 -0.03 0.00 -1.23 0.00 0.00 66.70 64.89 1y0d h VAL 134 Cb 0.68 0.77 -0.00 0.00 -2.13 0.00 0.00 31.29 30.60 1y0d h VAL 134 CO 0.01 0.20 -0.01 0.00 -1.23 0.00 0.00 177.57 176.54 1y0d h ALA 135 N 1.60 0.19 -0.60 5.19 0.00 -1.37 -1.60 119.26 122.67 1y0d h ALA 135 Ca 0.12 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.88 1y0d h ALA 135 Cb 0.18 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.87 1y0d h ALA 135 CO -0.01 -0.09 0.33 0.78 0.00 0.00 0.00 179.25 180.27 1y0d h GLY 136 N -0.02 0.86 0.93 0.00 0.00 -0.90 -0.74 103.07 103.21 1y0d h GLY 136 Ca 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1y0d h GLY 136 CO 0.01 0.16 0.13 -2.08 0.00 0.00 0.00 176.54 174.76 1y0d h VAL 137 N 0.64 1.14 -0.73 4.60 2.07 -0.91 -0.26 116.25 122.80 1y0d h VAL 137 Ca 0.26 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1y0d h VAL 137 Cb 0.12 0.93 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1y0d h VAL 137 CO -0.15 0.14 0.47 0.00 0.02 0.00 0.00 177.57 178.05 1y0d h ALA 138 N 0.99 0.95 -0.50 1.67 0.00 -0.99 0.14 119.26 121.52 1y0d h ALA 138 Ca 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1y0d h ALA 138 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1y0d h ALA 138 CO -0.01 0.28 0.24 -0.91 0.00 0.00 0.00 179.25 178.85 1y0d h ASN 139 N 0.93 0.65 -0.49 0.00 2.35 -0.88 -1.25 115.58 116.89 1y0d h ASN 139 Ca 0.29 -0.13 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 1y0d h ASN 139 Cb -0.02 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 1y0d h ASN 139 CO -0.10 0.60 -0.02 0.00 -1.65 0.00 0.00 177.43 176.27 1y0d h ALA 140 N 1.08 0.95 0.00 -0.83 0.00 -0.55 -2.08 119.26 117.84 1y0d h ALA 140 Ca 0.17 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1y0d h ALA 140 Cb 0.12 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1y0d h ALA 140 CO -0.02 0.63 -0.41 -0.07 0.00 0.00 0.00 179.25 179.38 1y0d h LEU 141 N 0.86 0.00 0.00 0.00 3.38 -0.63 -2.93 115.31 115.98 1y0d h LEU 141 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1y0d h LEU 141 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 1y0d h LEU 141 CO 0.03 0.41 -0.41 0.00 0.09 0.00 0.00 178.44 178.56 1y0d n ALA 142 N -2.41 2.79 -0.35 1.53 0.00 -0.50 -4.37 120.51 117.20 1y0d n ALA 142 Ca -0.01 -0.19 0.10 0.00 0.00 0.00 0.00 53.44 53.33 1y0d n ALA 142 Cb 0.46 -1.26 0.28 0.00 0.00 0.00 0.00 19.45 18.93 1y0d n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y0d h HIS 143 N 0.00 1.09 -0.46 0.00 6.17 -1.19 -2.52 115.15 118.24 1y0d h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1y0d h HIS 143 Cb 0.70 -0.34 0.00 0.00 2.52 0.00 0.00 27.41 30.29 1y0d h HIS 143 CO 0.00 0.33 0.00 1.63 0.71 0.00 0.00 177.93 180.60 1y0d n LYS 144 N -4.70 2.14 -2.21 5.26 4.76 -1.26 -4.93 118.16 117.21 1y0d n LYS 144 Ca 0.21 -1.76 -0.40 0.00 -2.87 0.00 0.00 58.31 53.49 1y0d n LYS 144 Cb 0.46 -1.39 -0.02 0.00 -1.84 0.00 0.00 35.03 32.24 1y0d n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1y0d s TYR 145 N -1.39 3.15 0.00 2.13 2.02 -0.95 -4.78 117.35 117.53 1y0d s TYR 145 Ca 0.34 1.50 0.00 0.00 -0.37 0.00 0.00 57.07 58.53 1y0d s TYR 145 Cb 0.18 -3.55 0.00 0.00 -0.40 0.00 0.00 41.96 38.18 1y0d s TYR 145 CO 0.24 -1.51 0.00 -2.39 -1.57 0.00 0.00 175.55 170.32