#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yih n HIS 2 N 0.00 3.12 -4.04 2.03 -0.00 -1.26 -4.93 115.22 110.14 1yih n HIS 2 Ca 0.00 -2.73 -0.35 0.00 -0.00 0.00 0.00 57.72 54.64 1yih n HIS 2 Cb 0.00 -0.93 -0.09 0.00 -0.00 0.00 0.00 29.99 28.97 1yih n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yih s LEU 3 N -4.00 3.94 0.33 0.27 1.43 -1.26 -5.09 118.68 114.29 1yih s LEU 3 Ca 0.47 0.21 -0.25 0.00 -1.03 0.00 0.00 54.13 53.53 1yih s LEU 3 Cb 0.33 -1.97 -0.10 0.00 0.03 0.00 0.00 46.19 44.49 1yih s LEU 3 CO -0.26 0.28 0.93 -0.89 0.23 0.00 0.00 176.35 176.64 1yih s THR 4 N -0.27 4.26 0.44 5.49 2.01 -1.26 -4.83 115.64 121.48 1yih s THR 4 Ca 0.09 1.74 0.21 0.00 0.31 0.00 0.00 61.69 64.03 1yih s THR 4 Cb -0.12 -3.94 0.41 0.00 0.01 0.00 0.00 72.50 68.86 1yih s THR 4 CO 0.01 0.08 1.83 -0.65 -0.69 0.00 0.00 174.62 175.20 1yih h PRO 5 N 3.00 0.31 -0.39 4.92 0.11 -1.98 0.96 132.00 138.93 1yih h PRO 5 Ca -0.47 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.48 1yih h PRO 5 Cb 1.19 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1yih h PRO 5 CO 0.64 0.21 -0.30 0.93 -0.21 0.00 0.00 178.00 179.27 1yih h GLU 6 N 0.32 0.85 -0.02 1.05 3.07 -1.98 0.17 114.58 118.04 1yih h GLU 6 Ca 0.50 -0.40 -0.25 0.00 -0.50 0.00 0.00 59.36 58.71 1yih h GLU 6 Cb 1.40 -0.01 0.02 0.00 -0.84 0.00 0.00 28.75 29.31 1yih h GLU 6 CO -0.17 1.04 -0.98 0.93 -1.40 0.00 0.00 179.01 178.42 1yih h GLU 7 N 0.72 0.64 -0.08 2.33 5.08 0.21 -2.30 114.58 121.18 1yih h GLU 7 Ca 0.08 -0.66 0.03 0.00 -1.00 0.00 0.00 59.36 57.80 1yih h GLU 7 Cb 0.86 0.18 -0.03 0.00 0.50 0.00 0.00 28.75 30.27 1yih h GLU 7 CO 0.08 1.26 -0.07 0.87 -1.00 0.00 0.00 179.01 180.15 1yih h LYS 8 N 0.38 -0.08 -0.71 2.33 1.57 0.51 -1.09 116.57 119.48 1yih h LYS 8 Ca -0.11 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.63 1yih h LYS 8 Cb 1.63 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.92 1yih h LYS 8 CO 0.19 -0.05 0.26 0.66 -0.57 0.00 0.00 179.45 179.93 1yih h SER 9 N -0.08 0.98 -0.00 0.86 4.64 -0.67 -1.89 113.55 117.39 1yih h SER 9 Ca 0.06 -0.16 -0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1yih h SER 9 Cb 0.17 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 62.00 1yih h SER 9 CO -0.14 0.89 0.00 0.00 -0.87 0.00 0.00 176.83 176.72 1yih h ALA 10 N 1.24 0.00 0.58 5.18 0.00 -1.09 -0.06 119.26 125.11 1yih h ALA 10 Ca 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1yih h ALA 10 Cb 0.24 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1yih h ALA 10 CO -0.02 -0.43 -0.34 0.28 0.00 0.00 0.00 179.25 178.74 1yih h VAL 11 N -0.13 0.30 -0.49 0.00 2.07 -1.08 -2.71 116.25 114.21 1yih h VAL 11 Ca 0.00 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.60 1yih h VAL 11 Cb 0.13 0.30 -0.07 0.00 -1.52 0.00 0.00 31.29 30.14 1yih h VAL 11 CO -0.00 0.00 0.12 0.74 0.02 0.00 0.00 177.57 178.45 1yih h THR 12 N -0.86 0.75 -0.75 2.57 2.02 -1.36 -1.42 112.91 113.85 1yih h THR 12 Ca -0.07 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.01 1yih h THR 12 Cb 0.70 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 1yih h THR 12 CO 0.08 0.05 0.41 0.00 0.37 0.00 0.00 175.52 176.43 1yih h ALA 13 N 1.37 0.96 -0.15 6.16 0.00 -0.96 -2.77 119.26 123.87 1yih h ALA 13 Ca 0.25 -0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.84 1yih h ALA 13 Cb 0.31 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.81 1yih h ALA 13 CO -0.30 0.47 -0.69 1.25 0.00 0.00 0.00 179.25 179.97 1yih h LEU 14 N 1.03 0.88 -1.83 0.00 7.12 -1.26 -3.20 115.31 118.05 1yih h LEU 14 Ca 0.26 -0.62 0.09 0.00 0.13 0.00 0.00 57.88 57.75 1yih h LEU 14 Cb 0.03 -0.26 -0.02 0.00 -0.53 0.00 0.00 40.66 39.88 1yih h LEU 14 CO -0.04 1.36 0.31 -0.25 -0.13 0.00 0.00 178.44 179.69 1yih h TRP 15 N 0.45 0.21 0.00 1.25 2.91 -1.06 -1.14 115.95 118.57 1yih h TRP 15 Ca -0.04 0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.97 1yih h TRP 15 Cb 1.33 -0.07 -0.00 0.00 -0.51 0.00 0.00 29.16 29.91 1yih h TRP 15 CO 0.09 0.10 -0.04 0.78 -1.03 0.00 0.00 178.44 178.34 1yih h GLY 16 N 0.20 0.00 -1.16 2.65 0.00 -1.49 -1.36 103.07 101.91 1yih h GLY 16 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1yih h GLY 16 CO -0.04 0.00 -0.09 0.28 0.00 0.00 0.00 176.54 176.70 1yih n LYS 17 N -4.03 1.84 -2.62 4.80 5.02 -0.44 -4.96 118.16 117.78 1yih n LYS 17 Ca -0.03 -1.38 -0.42 0.00 -2.02 0.00 0.00 58.31 54.47 1yih n LYS 17 Cb 0.13 -1.47 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 1yih n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yih s VAL 18 N -2.11 4.61 -0.63 -0.18 1.01 -0.51 -4.98 120.40 117.61 1yih s VAL 18 Ca 0.29 1.87 -0.21 0.00 0.00 0.00 0.00 61.98 63.94 1yih s VAL 18 Cb 0.20 -4.20 0.09 0.00 0.00 0.00 0.00 36.38 32.46 1yih s VAL 18 CO 0.37 0.13 0.84 0.21 0.00 0.00 0.00 175.10 176.64 1yih s ASN 19 N 1.05 6.18 0.30 3.32 3.84 -1.26 -4.90 114.94 123.48 1yih s ASN 19 Ca 0.54 -1.21 0.00 0.00 0.21 0.00 0.00 52.86 52.40 1yih s ASN 19 Cb -0.23 -2.36 0.52 0.00 -0.55 0.00 0.00 41.25 38.62 1yih s ASN 19 CO 0.27 -1.29 1.93 0.58 -2.79 0.00 0.00 177.10 175.81 1yih h VAL 20 N 5.95 1.11 0.12 -5.21 2.07 -1.96 -0.60 116.25 117.73 1yih h VAL 20 Ca -0.29 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1yih h VAL 20 Cb 1.08 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1yih h VAL 20 CO 1.14 0.19 -0.06 0.44 0.02 0.00 0.00 177.57 179.31 1yih h ASP 21 N 1.04 -0.13 -0.11 0.57 5.19 -1.94 0.95 116.42 122.00 1yih h ASP 21 Ca 0.36 -0.14 -0.12 0.00 -0.62 0.00 0.00 57.03 56.51 1yih h ASP 21 Cb 0.10 0.03 0.00 0.00 0.18 0.00 0.00 39.33 39.65 1yih h ASP 21 CO -0.12 0.06 -0.39 -0.33 -3.12 0.00 0.00 179.24 175.35 1yih h GLU 22 N -0.33 0.45 -0.48 3.56 5.08 -1.94 -3.11 114.58 117.81 1yih h GLU 22 Ca -0.02 -0.34 -0.12 0.00 -1.00 0.00 0.00 59.36 57.89 1yih h GLU 22 Cb 0.27 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 1yih h GLU 22 CO 0.03 0.97 -0.15 0.28 -1.00 0.00 0.00 179.01 179.13 1yih h VAL 23 N 0.03 1.27 -0.74 3.13 2.07 -1.12 -2.57 116.25 118.32 1yih h VAL 23 Ca -0.02 -1.30 -0.05 0.00 0.82 0.00 0.00 66.70 66.15 1yih h VAL 23 Cb 1.02 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1yih h VAL 23 CO 0.08 0.45 0.26 1.23 0.02 0.00 0.00 177.57 179.61 1yih h GLY 24 N 0.80 1.21 0.94 2.17 0.00 -0.91 -0.14 103.07 107.14 1yih h GLY 24 Ca 0.12 -0.69 -0.06 0.00 0.00 0.00 0.00 47.33 46.69 1yih h GLY 24 CO 0.05 0.65 0.02 -1.33 0.00 0.00 0.00 176.54 175.94 1yih h GLY 25 N 1.08 0.74 0.90 4.60 0.00 -1.50 -2.33 103.07 106.56 1yih h GLY 25 Ca 0.24 -0.53 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1yih h GLY 25 CO -0.01 0.49 -0.05 -2.09 0.00 0.00 0.00 176.54 174.88 1yih h GLU 26 N 0.52 0.59 0.17 4.80 4.81 -1.34 0.08 114.58 124.19 1yih h GLU 26 Ca 0.11 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1yih h GLU 26 Cb 0.44 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1yih h GLU 26 CO 0.02 0.76 -0.08 0.00 -0.73 0.00 0.00 179.01 178.97 1yih h ALA 27 N 0.81 -0.22 -0.58 2.92 0.00 -1.05 -0.31 119.26 120.83 1yih h ALA 27 Ca 0.08 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1yih h ALA 27 Cb 0.52 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1yih h ALA 27 CO 0.03 -0.51 0.24 1.25 0.00 0.00 0.00 179.25 180.25 1yih h LEU 28 N -0.45 0.80 -0.11 0.00 5.85 -1.48 -1.75 115.31 118.18 1yih h LEU 28 Ca -0.02 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 1yih h LEU 28 Cb 0.35 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1yih h LEU 28 CO 0.04 0.75 0.06 1.23 -0.34 0.00 0.00 178.44 180.18 1yih h GLY 29 N 0.80 0.15 1.68 3.75 0.00 -0.92 -2.44 103.07 106.09 1yih h GLY 29 Ca 0.19 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.42 1yih h GLY 29 CO -0.02 0.06 -0.02 3.21 0.00 0.00 0.00 176.54 179.77 1yih h ARG 30 N 0.11 0.41 -0.10 4.80 3.08 -0.98 -2.47 114.38 119.23 1yih h ARG 30 Ca 0.04 -0.08 0.04 0.00 0.07 0.00 0.00 59.98 60.05 1yih h ARG 30 Cb 0.03 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 29.97 1yih h ARG 30 CO -0.01 0.45 -0.15 1.25 -1.07 0.00 0.00 179.97 180.45 1yih h LEU 31 N 0.39 -0.46 -1.48 3.04 5.85 -0.84 0.30 115.31 122.12 1yih h LEU 31 Ca 0.09 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 1yih h LEU 31 Cb 0.30 0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1yih h LEU 31 CO 0.01 -0.20 -0.27 -0.07 -0.34 0.00 0.00 178.44 177.58 1yih h LEU 32 N -0.20 0.00 0.00 2.25 3.38 -1.26 -1.33 115.31 118.15 1yih h LEU 32 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1yih h LEU 32 Cb 0.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1yih h LEU 32 CO -0.22 0.27 -0.08 0.58 0.09 0.00 0.00 178.44 179.07 1yih h VAL 33 N 0.00 1.29 -0.39 1.22 2.07 -1.09 -3.25 116.25 116.10 1yih h VAL 33 Ca -0.00 -2.00 -0.16 0.00 0.82 0.00 0.00 66.70 65.36 1yih h VAL 33 Cb 0.49 2.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1yih h VAL 33 CO 0.03 0.44 -0.37 0.58 0.02 0.00 0.00 177.57 178.28 1yih h VAL 34 N -1.00 1.27 -2.41 2.57 2.07 -0.40 -3.35 116.25 114.99 1yih h VAL 34 Ca -0.02 -1.54 -0.60 0.00 0.82 0.00 0.00 66.70 65.36 1yih h VAL 34 Cb 0.78 1.36 -0.41 0.00 -1.52 0.00 0.00 31.29 31.50 1yih h VAL 34 CO -0.01 0.52 -0.73 -1.22 0.02 0.00 0.00 177.57 176.14 1yih n TYR 35 N -4.07 2.23 0.32 1.57 4.01 -0.51 -4.97 117.16 115.75 1yih n TYR 35 Ca -0.02 -3.98 0.16 0.00 -0.16 0.00 0.00 57.90 53.90 1yih n TYR 35 Cb 0.54 -0.44 0.83 0.00 -0.31 0.00 0.00 39.34 39.95 1yih n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1yih h PRO 36 N 4.63 0.00 0.00 -0.72 0.13 -1.71 -0.92 132.00 133.41 1yih h PRO 36 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1yih h PRO 36 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 1yih h PRO 36 CO 0.68 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.56 1yih h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.92 -2.04 115.95 113.64 1yih h TRP 37 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.00 1yih h TRP 37 Cb 0.68 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.92 1yih h TRP 37 CO 0.00 0.00 0.00 1.79 0.09 0.00 0.00 178.44 180.32 1yih h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.49 -3.04 112.91 109.85 1yih h THR 38 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1yih h THR 38 Cb 0.27 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 1yih h THR 38 CO 0.00 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.83 1yih h GLN 39 N 0.00 0.00 -0.36 4.72 4.20 -1.56 -2.82 115.11 119.29 1yih h GLN 39 Ca 0.00 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.81 1yih h GLN 39 Cb 0.58 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 1yih h GLN 39 CO 0.00 0.00 0.37 0.07 -0.67 0.00 0.00 178.83 178.60 1yih h ARG 40 N 0.00 0.00 0.00 1.46 0.11 -1.75 -1.06 114.38 113.14 1yih h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1yih h ARG 40 Cb 0.26 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.34 1yih h ARG 40 CO 0.00 0.00 -0.87 1.19 0.10 0.00 0.00 179.97 180.39 1yih n PHE 41 N -3.79 0.39 -2.15 4.08 3.01 -1.06 -4.44 117.46 113.50 1yih n PHE 41 Ca 0.06 0.11 -0.24 0.00 1.01 0.00 0.00 57.45 58.39 1yih n PHE 41 Cb 0.54 -0.53 0.02 0.00 -0.01 0.00 0.00 39.48 39.49 1yih n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1yih n PHE 42 N -2.03 2.90 -0.06 1.38 3.01 -0.40 -4.81 117.46 117.44 1yih n PHE 42 Ca 0.02 -2.45 -0.02 0.00 1.01 0.00 0.00 57.45 56.02 1yih n PHE 42 Cb 0.44 -0.27 0.24 0.00 -0.01 0.00 0.00 39.48 39.87 1yih n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1yih h GLU 43 N 2.29 0.66 0.00 -1.08 4.39 -1.77 -2.91 114.58 116.16 1yih h GLU 43 Ca 0.35 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1yih h GLU 43 Cb 1.38 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1yih h GLU 43 CO 0.78 0.66 0.00 -1.13 -1.16 0.00 0.00 179.01 178.16 1yih n SER 44 N -4.26 0.22 0.20 1.42 3.41 -1.26 -3.42 113.62 109.92 1yih n SER 44 Ca 0.02 0.54 0.08 0.00 -0.26 0.00 0.00 58.87 59.26 1yih n SER 44 Cb 0.25 -0.59 0.25 0.00 -0.26 0.00 0.00 64.21 63.87 1yih n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1yih h PHE 45 N 0.00 0.00 0.00 7.33 0.05 -1.91 -3.50 116.94 118.92 1yih h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1yih h PHE 45 Cb 0.36 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.31 1yih h PHE 45 CO 0.00 0.26 0.00 0.41 -0.18 0.00 0.00 178.31 178.80 1yih n GLY 46 N 0.74 0.19 3.61 -1.45 0.00 -1.22 -4.77 105.19 102.30 1yih n GLY 46 Ca 0.02 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.81 1yih n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yih s ASP 47 N -4.00 6.69 -0.16 1.61 3.68 -1.26 -4.85 116.67 118.37 1yih s ASP 47 Ca 0.00 0.75 0.14 0.00 2.13 0.00 0.00 52.55 55.57 1yih s ASP 47 Cb 0.00 -2.55 0.41 0.00 -1.45 0.00 0.00 42.92 39.33 1yih s ASP 47 CO 0.00 -1.15 1.20 0.18 0.13 0.00 0.00 175.17 175.53 1yih n LEU 48 N 7.67 2.33 0.26 -1.34 4.77 -1.26 -4.26 117.00 125.16 1yih n LEU 48 Ca 0.13 -3.46 0.11 0.00 -0.03 0.00 0.00 56.01 52.76 1yih n LEU 48 Cb 0.48 -0.42 0.71 0.00 -2.33 0.00 0.00 43.42 41.86 1yih n LEU 48 CO 0.67 1.18 0.98 0.28 -1.33 0.00 0.00 177.39 179.17 1yih h SER 49 N 0.92 0.00 -5.18 -1.43 0.02 -1.92 -3.44 113.55 102.52 1yih h SER 49 Ca -0.04 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.80 1yih h SER 49 Cb 1.17 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.57 1yih h SER 49 CO 0.02 0.12 -0.50 0.42 -1.14 0.00 0.00 176.83 175.74 1yih s THR 50 N -4.34 0.17 0.21 -2.27 -4.23 -1.26 -5.01 115.64 98.91 1yih s THR 50 Ca -0.03 -1.42 -0.14 0.00 -1.18 0.00 0.00 61.69 58.92 1yih s THR 50 Cb 0.14 -1.37 0.23 0.00 1.34 0.00 0.00 72.50 72.84 1yih s THR 50 CO 0.60 -0.78 1.62 -0.65 -0.54 0.00 0.00 174.62 174.87 1yih h PRO 51 N 2.99 -0.02 -0.57 3.99 0.11 -1.98 0.42 132.00 136.93 1yih h PRO 51 Ca -0.34 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 1yih h PRO 51 Cb 1.17 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1yih h PRO 51 CO 0.60 -0.01 0.35 -0.44 -0.21 0.00 0.00 178.00 178.28 1yih h ASP 52 N -0.02 0.68 -0.59 -2.05 3.32 -1.97 0.68 116.42 116.47 1yih h ASP 52 Ca 0.30 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 1yih h ASP 52 Cb 0.49 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 1yih h ASP 52 CO -0.67 0.54 0.12 0.00 -1.72 0.00 0.00 179.24 177.51 1yih h ALA 53 N 1.18 1.05 0.19 3.45 0.00 -1.31 -0.90 119.26 122.91 1yih h ALA 53 Ca 0.21 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1yih h ALA 53 Cb -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1yih h ALA 53 CO -0.04 0.62 -0.09 0.28 0.00 0.00 0.00 179.25 180.02 1yih h VAL 54 N 0.94 0.88 0.00 0.00 2.07 0.54 -2.32 116.25 118.36 1yih h VAL 54 Ca 0.20 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.79 1yih h VAL 54 Cb 0.37 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1yih h VAL 54 CO 0.01 0.19 -0.19 0.24 0.02 0.00 0.00 177.57 177.83 1yih h MET 55 N -0.74 0.00 0.00 1.57 2.86 0.41 -2.66 114.93 116.38 1yih h MET 55 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1yih h MET 55 Cb 0.50 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.16 1yih h MET 55 CO 0.04 0.19 -0.51 0.78 1.06 0.00 0.00 176.91 178.47 1yih h GLY 56 N 0.82 0.00 -6.26 8.32 0.00 -1.22 -3.46 103.07 101.27 1yih h GLY 56 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.76 1yih h GLY 56 CO 0.02 0.00 1.37 0.21 0.00 0.00 0.00 176.54 178.15 1yih s ASN 57 N -5.64 5.90 0.41 0.19 3.84 -0.87 -4.85 114.94 113.91 1yih s ASN 57 Ca 0.03 2.21 0.10 0.00 0.21 0.00 0.00 52.86 55.41 1yih s ASN 57 Cb 0.08 -2.52 0.87 0.00 -0.55 0.00 0.00 41.25 39.13 1yih s ASN 57 CO 0.73 -1.56 1.99 1.55 -2.79 0.00 0.00 177.10 177.01 1yih h PRO 58 N 13.06 0.29 -0.39 0.43 0.13 -1.88 0.76 132.00 144.40 1yih h PRO 58 Ca -0.44 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.52 1yih h PRO 58 Cb 1.24 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1yih h PRO 58 CO 0.95 0.32 -0.23 0.87 -0.23 0.00 0.00 178.00 179.68 1yih h LYS 59 N 0.28 0.79 0.25 0.86 1.57 -1.89 0.16 116.57 118.59 1yih h LYS 59 Ca 0.07 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.51 1yih h LYS 59 Cb 0.21 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1yih h LYS 59 CO 0.00 0.94 -0.12 0.28 -0.57 0.00 0.00 179.45 179.99 1yih h VAL 60 N 0.68 0.81 -0.23 0.50 2.07 -1.74 -0.40 116.25 117.94 1yih h VAL 60 Ca 0.09 -0.60 0.04 0.00 0.82 0.00 0.00 66.70 67.04 1yih h VAL 60 Cb 0.75 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 1yih h VAL 60 CO 0.06 0.13 0.02 0.11 0.02 0.00 0.00 177.57 177.90 1yih h LYS 61 N -0.66 0.09 -0.76 1.57 1.57 -0.75 0.31 116.57 117.94 1yih h LYS 61 Ca -0.03 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1yih h LYS 61 Cb 0.46 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.72 1yih h LYS 61 CO 0.06 0.06 0.35 0.00 -0.57 0.00 0.00 179.45 179.34 1yih h ALA 62 N 1.19 1.19 -0.11 3.86 0.00 -0.68 -2.33 119.26 122.38 1yih h ALA 62 Ca 0.11 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.68 1yih h ALA 62 Cb 0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1yih h ALA 62 CO -0.17 0.61 -0.67 1.25 0.00 0.00 0.00 179.25 180.27 1yih h HIS 63 N 1.08 0.59 -0.97 0.00 -0.00 -0.69 -2.55 115.15 112.61 1yih h HIS 63 Ca 0.26 -0.24 0.04 0.00 -0.00 0.00 0.00 60.37 60.43 1yih h HIS 63 Cb 0.13 -0.10 -0.06 0.00 -0.00 0.00 0.00 27.41 27.39 1yih h HIS 63 CO 0.01 0.99 0.63 0.78 -0.00 0.00 0.00 177.93 180.34 1yih h GLY 64 N 1.21 1.42 1.67 5.26 0.00 0.06 0.11 103.07 112.80 1yih h GLY 64 Ca -0.02 -0.48 -0.12 0.00 0.00 0.00 0.00 47.33 46.71 1yih h GLY 64 CO 0.12 0.40 -0.43 1.70 0.00 0.00 0.00 176.54 178.33 1yih h LYS 65 N 1.21 0.37 -0.28 4.80 3.64 -1.29 0.70 116.57 125.72 1yih h LYS 65 Ca 0.39 -0.19 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 1yih h LYS 65 Cb 0.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1yih h LYS 65 CO -0.13 0.73 -0.11 -0.22 -2.27 0.00 0.00 179.45 177.46 1yih h LYS 66 N 0.30 0.57 0.08 1.90 3.64 -0.93 -1.94 116.57 120.19 1yih h LYS 66 Ca 0.02 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1yih h LYS 66 Cb 0.88 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 1yih h LYS 66 CO 0.07 0.80 -0.04 0.28 -2.27 0.00 0.00 179.45 178.29 1yih h VAL 67 N 0.32 1.02 0.00 2.00 2.07 -0.57 -2.36 116.25 118.72 1yih h VAL 67 Ca 0.07 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 1yih h VAL 67 Cb 0.61 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1yih h VAL 67 CO 0.04 0.08 -0.14 -0.07 0.02 0.00 0.00 177.57 177.49 1yih h LEU 68 N -0.25 0.00 0.06 2.57 -0.00 -0.88 -1.74 115.31 115.09 1yih h LEU 68 Ca -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1yih h LEU 68 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.87 1yih h LEU 68 CO 0.02 0.14 -0.03 1.23 -0.00 0.00 0.00 178.44 179.80 1yih h GLY 69 N 0.68 -0.09 1.01 0.83 0.00 -1.11 0.34 103.07 104.74 1yih h GLY 69 Ca -0.00 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.36 1yih h GLY 69 CO 0.02 -0.03 0.53 0.00 0.00 0.00 0.00 176.54 177.06 1yih h ALA 70 N 0.65 1.11 -0.41 3.60 0.00 -1.04 -2.17 119.26 121.01 1yih h ALA 70 Ca -0.01 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.87 1yih h ALA 70 Cb 0.24 -0.35 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 1yih h ALA 70 CO 0.01 0.57 0.09 0.35 0.00 0.00 0.00 179.25 180.28 1yih h PHE 71 N 1.20 0.15 -0.75 0.00 3.57 -1.03 -2.03 116.94 118.05 1yih h PHE 71 Ca 0.31 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.95 1yih h PHE 71 Cb -0.05 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 38.60 1yih h PHE 71 CO -0.00 0.03 0.36 0.77 -2.23 0.00 0.00 178.31 177.23 1yih h SER 72 N 0.23 0.43 0.23 0.41 0.02 -0.31 -1.42 113.55 113.14 1yih h SER 72 Ca 0.20 0.08 -0.11 0.00 -0.84 0.00 0.00 61.79 61.12 1yih h SER 72 Cb 0.23 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1yih h SER 72 CO -0.25 0.21 -0.41 0.44 -1.14 0.00 0.00 176.83 175.69 1yih h ASP 73 N 0.57 0.25 0.15 3.07 3.32 -0.97 -2.12 116.42 120.68 1yih h ASP 73 Ca 0.39 -0.10 -0.09 0.00 0.02 0.00 0.00 57.03 57.25 1yih h ASP 73 Cb 0.50 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1yih h ASP 73 CO -0.32 0.63 -0.32 1.23 -1.72 0.00 0.00 179.24 178.74 1yih h GLY 74 N 1.21 0.29 2.00 2.75 0.00 -0.62 -1.91 103.07 106.79 1yih h GLY 74 Ca 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1yih h GLY 74 CO 0.06 0.22 0.00 1.41 0.00 0.00 0.00 176.54 178.23 1yih h LEU 75 N 0.23 0.00 0.00 3.11 3.38 -0.71 -0.95 115.31 120.38 1yih h LEU 75 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1yih h LEU 75 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1yih h LEU 75 CO 0.05 0.00 -0.45 0.00 0.09 0.00 0.00 178.44 178.13 1yih n ALA 76 N -2.05 2.74 -2.50 1.53 0.00 -0.75 -4.29 120.51 115.18 1yih n ALA 76 Ca 0.01 -0.18 -0.14 0.00 0.00 0.00 0.00 53.44 53.13 1yih n ALA 76 Cb 0.28 -1.26 0.03 0.00 0.00 0.00 0.00 19.45 18.50 1yih n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yih n HIS 77 N -2.17 2.05 0.18 0.00 8.25 -0.40 -4.94 115.22 118.19 1yih n HIS 77 Ca 0.04 -2.48 0.10 0.00 -0.26 0.00 0.00 57.72 55.13 1yih n HIS 77 Cb 0.44 -0.27 0.54 0.00 1.12 0.00 0.00 29.99 31.83 1yih n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1yih n LEU 78 N -0.50 0.54 -0.54 2.41 4.32 -1.00 -1.00 117.00 121.23 1yih n LEU 78 Ca 0.24 0.74 0.12 0.00 -0.02 0.00 0.00 56.01 57.09 1yih n LEU 78 Cb 0.83 -0.79 0.18 0.00 -1.62 0.00 0.00 43.42 42.01 1yih n LEU 78 CO 0.25 -0.89 0.53 0.47 -1.22 0.00 0.00 177.39 176.53 1yih n ASP 79 N -2.21 1.95 -2.73 -1.43 10.43 -1.26 -1.12 116.55 120.18 1yih n ASP 79 Ca -0.01 -1.48 -0.09 0.00 2.57 0.00 0.00 54.79 55.79 1yih n ASP 79 Cb 0.05 0.23 0.08 0.00 1.84 0.00 0.00 41.12 43.32 1yih n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1yih n ASN 80 N 0.17 -2.47 0.09 -2.24 5.15 -0.17 -4.64 115.26 111.15 1yih n ASN 80 Ca 0.12 -3.54 -0.01 0.00 -0.60 0.00 0.00 54.58 50.55 1yih n ASN 80 Cb 0.46 1.88 0.26 0.00 -0.53 0.00 0.00 39.78 41.85 1yih n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1yih h LEU 81 N 3.26 0.28 0.47 1.20 3.38 -1.74 -2.55 115.31 119.61 1yih h LEU 81 Ca -0.12 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1yih h LEU 81 Cb 1.08 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 1yih h LEU 81 CO 0.18 0.59 -0.32 0.50 0.09 0.00 0.00 178.44 179.48 1yih h LYS 82 N 0.24 -0.74 -0.24 1.13 1.63 -1.89 0.01 116.57 116.72 1yih h LYS 82 Ca 0.03 0.05 -0.06 0.00 -0.85 0.00 0.00 60.65 59.82 1yih h LYS 82 Cb 0.69 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.47 1yih h LYS 82 CO 0.05 -0.49 -0.13 0.78 -3.45 0.00 0.00 179.45 176.21 1yih h GLY 83 N -0.76 0.43 1.98 5.01 0.00 -1.96 -1.44 103.07 106.32 1yih h GLY 83 Ca -0.05 -0.29 -0.12 0.00 0.00 0.00 0.00 47.33 46.88 1yih h GLY 83 CO 0.03 0.26 -0.56 -0.84 0.00 0.00 0.00 176.54 175.44 1yih h THR 84 N 0.37 1.40 -0.25 4.70 2.02 -1.00 -3.27 112.91 116.87 1yih h THR 84 Ca 0.07 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.35 1yih h THR 84 Cb 0.46 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1yih h THR 84 CO 0.03 0.55 0.00 0.49 0.37 0.00 0.00 175.52 176.95 1yih n PHE 85 N -3.88 0.32 -0.14 3.16 3.01 -0.05 -4.65 117.46 115.23 1yih n PHE 85 Ca -0.01 -0.28 -0.04 0.00 1.01 0.00 0.00 57.45 58.13 1yih n PHE 85 Cb 0.56 -0.01 0.03 0.00 -0.01 0.00 0.00 39.48 40.05 1yih n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1yih h ALA 86 N 2.63 0.33 -0.59 4.37 0.00 -1.32 0.35 119.26 125.03 1yih h ALA 86 Ca 0.00 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1yih h ALA 86 Cb 0.70 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 1yih h ALA 86 CO 0.00 -0.43 -0.03 1.15 0.00 0.00 0.00 179.25 179.94 1yih h THR 87 N 0.03 1.27 -0.01 0.00 2.02 -1.84 -2.47 112.91 111.90 1yih h THR 87 Ca 0.22 -1.18 -0.10 0.00 0.77 0.00 0.00 66.41 66.12 1yih h THR 87 Cb 0.33 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1yih h THR 87 CO -0.43 0.43 -0.45 0.25 0.37 0.00 0.00 175.52 175.68 1yih h LEU 88 N 0.97 0.03 -0.07 2.58 5.85 -1.75 -2.21 115.31 120.71 1yih h LEU 88 Ca 0.17 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.85 1yih h LEU 88 Cb 0.59 -0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1yih h LEU 88 CO 0.04 0.48 -0.04 -1.28 -0.34 0.00 0.00 178.44 177.29 1yih h SER 89 N 0.02 0.15 0.13 1.25 0.87 0.08 -2.25 113.55 113.79 1yih h SER 89 Ca -0.00 -0.44 -0.08 0.00 -1.23 0.00 0.00 61.79 60.04 1yih h SER 89 Cb 0.81 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.72 1yih h SER 89 CO 0.06 0.56 -0.28 -0.33 -0.53 0.00 0.00 176.83 176.30 1yih h GLU 90 N -0.25 0.25 -0.14 2.24 5.08 -1.46 -1.32 114.58 118.97 1yih h GLU 90 Ca 0.01 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1yih h GLU 90 Cb 0.51 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1yih h GLU 90 CO 0.01 0.52 0.04 1.25 -1.00 0.00 0.00 179.01 179.83 1yih h LEU 91 N 0.23 0.22 -1.34 1.33 5.85 -1.33 0.14 115.31 120.40 1yih h LEU 91 Ca 0.03 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.50 1yih h LEU 91 Cb 0.62 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1yih h LEU 91 CO 0.05 0.38 0.05 0.45 -0.34 0.00 0.00 178.44 179.03 1yih h HIS 92 N 0.04 0.50 0.00 1.25 3.86 -1.19 0.17 115.15 119.77 1yih h HIS 92 Ca 0.05 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1yih h HIS 92 Cb 0.25 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1yih h HIS 92 CO 0.01 0.46 0.00 0.00 0.86 0.00 0.00 177.93 179.25 1yih h ASP 94 N 0.00 0.76 0.00 0.00 3.32 -0.80 -2.25 116.42 117.45 1yih h ASP 94 Ca 0.00 -0.27 -0.25 0.00 0.02 0.00 0.00 57.03 56.53 1yih h ASP 94 Cb 0.00 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.31 1yih h ASP 94 CO 0.00 0.96 -1.68 0.29 -1.72 0.00 0.00 179.24 177.09 1yih n LYS 95 N -4.11 0.55 0.13 3.56 4.01 -0.65 -4.70 118.16 116.95 1yih n LYS 95 Ca 0.00 0.34 0.05 0.00 -0.51 0.00 0.00 58.31 58.19 1yih n LYS 95 Cb 0.43 -1.55 0.03 0.00 -0.51 0.00 0.00 35.03 33.43 1yih n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1yih h LEU 96 N -1.00 0.00 -1.49 -0.35 3.38 -0.81 -3.49 115.31 111.55 1yih h LEU 96 Ca -0.38 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.21 1yih h LEU 96 Cb 1.27 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.13 1yih h LEU 96 CO -0.23 0.33 -0.77 1.41 0.09 0.00 0.00 178.44 179.27 1yih n HIS 97 N -3.04 -2.24 -3.49 1.13 8.25 -0.64 -4.98 115.22 110.21 1yih n HIS 97 Ca -0.00 0.92 -0.38 0.00 -0.26 0.00 0.00 57.72 58.00 1yih n HIS 97 Cb 0.68 -4.76 -0.09 0.00 1.12 0.00 0.00 29.99 26.94 1yih n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1yih s VAL 98 N -3.44 5.25 0.20 1.59 1.01 -0.43 -5.03 120.40 119.56 1yih s VAL 98 Ca 0.17 0.46 -0.32 0.00 0.00 0.00 0.00 61.98 62.29 1yih s VAL 98 Cb -0.08 -3.63 -0.12 0.00 0.00 0.00 0.00 36.38 32.55 1yih s VAL 98 CO 0.76 0.26 1.74 -0.67 0.00 0.00 0.00 175.10 177.19 1yih n ASP 99 N 4.67 4.03 0.25 3.32 4.64 -1.26 -4.73 116.55 127.48 1yih n ASP 99 Ca -0.11 1.05 0.17 0.00 -1.38 0.00 0.00 54.79 54.53 1yih n ASP 99 Cb 0.51 -1.58 0.85 0.00 -1.04 0.00 0.00 41.12 39.87 1yih n ASP 99 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1yih h ALA 100 N 6.92 1.00 0.00 -1.67 0.00 -1.96 -2.35 119.26 121.20 1yih h ALA 100 Ca -0.43 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.46 1yih h ALA 100 Cb 1.20 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1yih h ALA 100 CO 0.96 0.00 -0.10 1.49 0.00 0.00 0.00 179.25 181.60 1yih h GLU 101 N 0.00 0.00 0.00 0.00 4.57 -1.98 -2.20 114.58 114.97 1yih h GLU 101 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1yih h GLU 101 Cb 0.16 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1yih h GLU 101 CO 0.00 0.10 -0.11 -0.91 -1.18 0.00 0.00 179.01 176.91 1yih h ASN 102 N 0.00 0.00 -0.53 1.04 -0.26 -1.79 -2.59 115.58 111.45 1yih h ASN 102 Ca -0.00 0.00 -0.09 0.00 -0.56 0.00 0.00 56.30 55.65 1yih h ASN 102 Cb 0.35 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 1yih h ASN 102 CO 0.01 0.11 -0.00 -0.26 -1.06 0.00 0.00 177.43 176.23 1yih h PHE 103 N 0.00 1.06 -0.27 1.19 0.04 -1.59 -1.72 116.94 115.65 1yih h PHE 103 Ca -0.00 -0.17 -0.18 0.00 2.80 0.00 0.00 57.97 60.41 1yih h PHE 103 Cb 0.34 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1yih h PHE 103 CO 0.00 0.95 -0.54 0.00 -0.60 0.00 0.00 178.31 178.11 1yih h ARG 104 N 0.90 0.84 -0.04 1.51 3.08 -1.60 -1.84 114.38 117.23 1yih h ARG 104 Ca 0.16 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1yih h ARG 104 Cb 0.53 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 1yih h ARG 104 CO 0.03 1.18 0.02 -0.07 -1.07 0.00 0.00 179.97 180.05 1yih h LEU 105 N 0.61 0.03 -0.49 3.04 3.38 -1.39 -2.38 115.31 118.10 1yih h LEU 105 Ca 0.01 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1yih h LEU 105 Cb 1.15 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1yih h LEU 105 CO 0.12 0.02 0.28 0.25 0.09 0.00 0.00 178.44 179.20 1yih h LEU 106 N 0.04 0.44 -0.34 1.67 5.85 -1.29 -1.92 115.31 119.75 1yih h LEU 106 Ca 0.02 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.82 1yih h LEU 106 Cb 0.00 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 40.88 1yih h LEU 106 CO -0.01 0.31 -0.12 1.23 -0.34 0.00 0.00 178.44 179.51 1yih h GLY 107 N 0.55 0.20 1.33 3.75 0.00 -1.15 0.27 103.07 108.01 1yih h GLY 107 Ca 0.20 0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.62 1yih h GLY 107 CO -0.11 -0.15 0.06 3.43 0.00 0.00 0.00 176.54 179.77 1yih h ASN 108 N -0.04 0.79 -0.60 0.19 2.35 -1.14 -2.25 115.58 114.87 1yih h ASN 108 Ca 0.17 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.71 1yih h ASN 108 Cb 0.30 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 1yih h ASN 108 CO -0.38 0.82 0.23 0.58 -1.65 0.00 0.00 177.43 177.03 1yih h VAL 109 N 0.79 1.23 -0.47 2.81 2.07 -0.69 -2.28 116.25 119.70 1yih h VAL 109 Ca 0.16 -0.73 0.05 0.00 0.82 0.00 0.00 66.70 67.00 1yih h VAL 109 Cb 0.39 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 1yih h VAL 109 CO 0.01 0.28 0.20 0.25 0.02 0.00 0.00 177.57 178.34 1yih h LEU 110 N 0.83 0.26 -0.65 2.57 5.85 -0.41 0.67 115.31 124.43 1yih h LEU 110 Ca 0.20 0.04 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1yih h LEU 110 Cb 0.22 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.19 1yih h LEU 110 CO -0.01 0.19 0.37 0.58 -0.34 0.00 0.00 178.44 179.22 1yih h VAL 111 N 0.41 0.99 -0.74 1.05 2.07 -1.25 0.12 116.25 118.90 1yih h VAL 111 Ca 0.21 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1yih h VAL 111 Cb 0.17 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 30.15 1yih h VAL 111 CO -0.18 0.13 0.29 0.00 0.02 0.00 0.00 177.57 177.82 1yih h VAL 113 N 1.07 1.27 -0.56 0.00 2.07 0.70 -1.66 116.25 119.14 1yih h VAL 113 Ca 0.25 -1.07 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1yih h VAL 113 Cb 0.22 1.21 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1yih h VAL 113 CO -0.02 0.36 0.27 -0.07 0.02 0.00 0.00 177.57 178.13 1yih h LEU 114 N 0.50 0.71 -0.38 2.57 3.38 -0.61 -1.47 115.31 120.01 1yih h LEU 114 Ca 0.10 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1yih h LEU 114 Cb 0.53 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1yih h LEU 114 CO 0.03 0.60 0.02 0.00 0.09 0.00 0.00 178.44 179.18 1yih h ALA 115 N 1.52 0.51 -0.48 1.53 0.00 -1.11 -0.45 119.26 120.77 1yih h ALA 115 Ca 0.20 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1yih h ALA 115 Cb 0.08 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1yih h ALA 115 CO -0.03 0.26 0.30 1.25 0.00 0.00 0.00 179.25 181.03 1yih h HIS 116 N 0.48 0.63 0.11 0.00 -0.00 -0.73 -0.92 115.15 114.71 1yih h HIS 116 Ca 0.11 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 1yih h HIS 116 Cb 0.43 -0.21 0.00 0.00 -0.00 0.00 0.00 27.41 27.64 1yih h HIS 116 CO 0.03 0.42 -0.05 0.45 -0.00 0.00 0.00 177.93 178.78 1yih h HIS 117 N 0.65 -0.14 0.00 5.26 -0.00 -1.26 -3.37 115.15 116.29 1yih h HIS 117 Ca 0.18 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.54 1yih h HIS 117 Cb -0.03 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 1yih h HIS 117 CO -0.03 0.36 -0.34 1.19 -0.00 0.00 0.00 177.93 179.11 1yih n PHE 118 N -4.88 0.53 -0.24 2.45 3.01 -0.18 -5.02 117.46 113.13 1yih n PHE 118 Ca -0.08 0.16 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1yih n PHE 118 Cb 0.28 -0.67 0.00 0.00 -0.01 0.00 0.00 39.48 39.08 1yih n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yih n GLY 119 N 1.37 2.91 0.45 1.37 0.00 -0.35 -1.75 105.19 109.19 1yih n GLY 119 Ca 0.05 -0.06 0.36 0.00 0.00 0.00 0.00 46.02 46.36 1yih n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1yih h LYS 120 N 0.00 0.09 0.00 1.61 2.10 -1.95 0.49 116.57 118.90 1yih h LYS 120 Ca 0.00 -0.01 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 1yih h LYS 120 Cb 0.00 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 31.31 1yih h LYS 120 CO 0.00 0.06 -0.08 1.49 -2.00 0.00 0.00 179.45 178.92 1yih h GLU 121 N 0.09 0.00 -4.04 0.07 4.81 -1.74 -3.31 114.58 110.46 1yih h GLU 121 Ca 0.82 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 59.30 1yih h GLU 121 Cb 2.52 0.00 -0.17 0.00 0.63 0.00 0.00 28.75 31.72 1yih h GLU 121 CO -0.45 0.08 1.64 0.34 -0.73 0.00 0.00 179.01 179.89 1yih n PHE 122 N -3.47 3.88 -1.42 0.92 7.35 0.17 -4.94 117.46 119.94 1yih n PHE 122 Ca -0.02 -3.06 -0.31 0.00 -0.76 0.00 0.00 57.45 53.30 1yih n PHE 122 Cb 0.22 -2.02 0.08 0.00 0.35 0.00 0.00 39.48 38.11 1yih n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yih s THR 123 N 0.74 3.51 0.22 -2.13 -4.23 -1.25 -4.74 115.64 107.75 1yih s THR 123 Ca 0.40 0.49 -0.09 0.00 -1.18 0.00 0.00 61.69 61.32 1yih s THR 123 Cb 0.03 -3.12 0.17 0.00 1.34 0.00 0.00 72.50 70.93 1yih s THR 123 CO 0.01 -0.64 1.71 -0.65 -0.54 0.00 0.00 174.62 174.51 1yih h PRO 124 N -1.00 0.29 -0.74 3.99 0.11 -1.94 0.44 132.00 133.16 1yih h PRO 124 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1yih h PRO 124 Cb 1.23 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1yih h PRO 124 CO 0.55 0.19 0.39 -1.35 -0.21 0.00 0.00 178.00 177.58 1yih h PRO 125 N 0.30 1.05 -0.40 1.05 0.11 -1.99 0.18 132.00 132.30 1yih h PRO 125 Ca 0.33 -0.13 -0.12 0.00 0.11 0.00 0.00 66.00 66.19 1yih h PRO 125 Cb 0.49 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.39 1yih h PRO 125 CO -0.40 0.79 -0.21 0.28 -0.21 0.00 0.00 178.00 178.25 1yih h VAL 126 N 1.03 1.28 -0.44 3.15 2.07 -1.53 -2.64 116.25 119.17 1yih h VAL 126 Ca 0.26 -1.35 0.04 0.00 0.82 0.00 0.00 66.70 66.47 1yih h VAL 126 Cb 0.06 1.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1yih h VAL 126 CO -0.04 0.45 0.22 -0.61 0.02 0.00 0.00 177.57 177.61 1yih h GLN 127 N 0.66 0.42 -0.51 1.57 4.15 0.14 -1.11 115.11 120.43 1yih h GLN 127 Ca 0.09 -0.03 0.08 0.00 0.77 0.00 0.00 58.65 59.56 1yih h GLN 127 Cb 0.77 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.30 1yih h GLN 127 CO 0.06 0.28 0.15 0.00 -1.93 0.00 0.00 178.83 177.39 1yih h ALA 128 N 1.24 0.61 -0.52 3.38 0.00 -0.44 0.45 119.26 123.97 1yih h ALA 128 Ca 0.19 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1yih h ALA 128 Cb 0.11 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1yih h ALA 128 CO -0.14 -0.25 0.24 0.00 0.00 0.00 0.00 179.25 179.10 1yih h ALA 129 N 1.36 0.67 -0.09 0.00 0.00 -1.19 -2.60 119.26 117.41 1yih h ALA 129 Ca 0.25 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1yih h ALA 129 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1yih h ALA 129 CO -0.28 0.24 -0.36 1.88 0.00 0.00 0.00 179.25 180.73 1yih h TYR 130 N 0.69 0.20 -0.74 0.00 0.05 -0.48 -2.20 116.97 114.50 1yih h TYR 130 Ca 0.18 -0.05 -0.03 0.00 0.05 0.00 0.00 58.73 58.88 1yih h TYR 130 Cb 0.13 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.79 1yih h TYR 130 CO -0.00 0.52 0.33 1.96 -1.05 0.00 0.00 178.16 179.92 1yih h GLN 131 N 0.15 1.06 -0.48 4.88 1.08 0.23 -0.84 115.11 121.20 1yih h GLN 131 Ca 0.02 -0.16 -0.06 0.00 -1.45 0.00 0.00 58.65 57.00 1yih h GLN 131 Cb 0.71 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.94 1yih h GLN 131 CO 0.05 0.84 0.06 0.87 -0.95 0.00 0.00 178.83 179.70 1yih h LYS 132 N 1.05 0.81 0.07 1.46 1.57 -1.11 -2.03 116.57 118.39 1yih h LYS 132 Ca 0.25 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1yih h LYS 132 Cb 0.14 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1yih h LYS 132 CO -0.03 0.82 -0.03 0.28 -0.57 0.00 0.00 179.45 179.92 1yih h VAL 133 N 0.67 1.06 -0.93 0.50 2.07 -0.93 -0.94 116.25 117.75 1yih h VAL 133 Ca 0.14 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.27 1yih h VAL 133 Cb 0.42 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1yih h VAL 133 CO 0.01 0.11 0.61 -0.37 0.02 0.00 0.00 177.57 177.95 1yih h VAL 134 N -0.28 1.20 -0.47 2.57 -1.51 -1.15 0.31 116.25 116.93 1yih h VAL 134 Ca -0.01 -0.42 -0.03 0.00 -1.23 0.00 0.00 66.70 65.02 1yih h VAL 134 Cb 0.24 -0.12 -0.02 0.00 -2.13 0.00 0.00 31.29 29.26 1yih h VAL 134 CO 0.02 0.22 0.19 0.00 -1.23 0.00 0.00 177.57 176.76 1yih h ALA 135 N 1.44 0.60 -0.11 5.19 0.00 -1.30 0.57 119.26 125.66 1yih h ALA 135 Ca 0.36 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1yih h ALA 135 Cb -0.07 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1yih h ALA 135 CO -0.09 0.21 -0.04 0.78 0.00 0.00 0.00 179.25 180.11 1yih h GLY 136 N 0.61 0.06 0.92 0.00 0.00 -0.01 -0.38 103.07 104.27 1yih h GLY 136 Ca 0.16 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.54 1yih h GLY 136 CO -0.01 -0.05 0.06 -2.08 0.00 0.00 0.00 176.54 174.46 1yih h VAL 137 N -0.02 0.99 -0.96 4.60 2.07 -0.22 -0.45 116.25 122.25 1yih h VAL 137 Ca 0.06 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1yih h VAL 137 Cb 0.10 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 1yih h VAL 137 CO -0.12 0.03 0.63 0.00 0.02 0.00 0.00 177.57 178.12 1yih h ALA 138 N 1.08 1.40 -0.50 1.67 0.00 -0.58 -1.10 119.26 121.24 1yih h ALA 138 Ca 0.06 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 1yih h ALA 138 Cb 0.02 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 1yih h ALA 138 CO -0.05 0.48 -0.18 -0.91 0.00 0.00 0.00 179.25 178.60 1yih h ASN 139 N 1.18 1.00 -0.61 0.00 2.35 -0.68 -2.58 115.58 116.24 1yih h ASN 139 Ca 0.39 -0.36 -0.07 0.00 -0.55 0.00 0.00 56.30 55.71 1yih h ASN 139 Cb 0.07 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1yih h ASN 139 CO -0.13 1.15 0.11 0.00 -1.65 0.00 0.00 177.43 176.91 1yih h ALA 140 N 0.92 0.81 0.00 -0.83 0.00 -0.28 -1.65 119.26 118.24 1yih h ALA 140 Ca 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1yih h ALA 140 Cb 0.75 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1yih h ALA 140 CO 0.06 0.55 -0.06 -0.07 0.00 0.00 0.00 179.25 179.73 1yih h LEU 141 N 0.91 0.00 -0.21 0.00 3.38 -1.15 -2.92 115.31 115.31 1yih h LEU 141 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1yih h LEU 141 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1yih h LEU 141 CO 0.01 0.06 -0.86 0.00 0.09 0.00 0.00 178.44 177.74 1yih n ALA 142 N -2.14 4.44 -0.33 1.53 0.00 -0.98 -4.42 120.51 118.61 1yih n ALA 142 Ca 0.00 -0.59 0.04 0.00 0.00 0.00 0.00 53.44 52.89 1yih n ALA 142 Cb 0.32 -0.80 0.20 0.00 0.00 0.00 0.00 19.45 19.17 1yih n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1yih h HIS 143 N 0.50 1.03 -0.36 0.00 6.17 -1.11 -2.28 115.15 119.11 1yih h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1yih h HIS 143 Cb 0.55 -0.32 0.00 0.00 2.52 0.00 0.00 27.41 30.16 1yih h HIS 143 CO 0.00 0.44 0.00 1.63 0.71 0.00 0.00 177.93 180.71 1yih n LYS 144 N -4.65 2.53 -2.42 5.26 4.76 -1.26 -4.90 118.16 117.48 1yih n LYS 144 Ca 0.16 -1.58 -0.41 0.00 -2.87 0.00 0.00 58.31 53.61 1yih n LYS 144 Cb 0.29 -1.62 -0.04 0.00 -1.84 0.00 0.00 35.03 31.82 1yih n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1yih s TYR 145 N -1.71 3.49 0.00 2.13 2.02 -0.86 -4.70 117.35 117.72 1yih s TYR 145 Ca 0.28 1.56 0.00 0.00 -0.37 0.00 0.00 57.07 58.54 1yih s TYR 145 Cb 0.18 -3.37 0.00 0.00 -0.40 0.00 0.00 41.96 38.38 1yih s TYR 145 CO 0.13 -0.90 0.00 -2.39 -1.57 0.00 0.00 175.55 170.82