#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yhe s LEU 2 N 0.00 4.54 0.53 7.52 1.43 -1.26 -5.08 118.68 126.36 1yhe s LEU 2 Ca 0.00 1.66 0.01 0.00 -1.03 0.00 0.00 54.13 54.77 1yhe s LEU 2 Cb 0.00 -3.38 0.03 0.00 0.03 0.00 0.00 46.19 42.86 1yhe s LEU 2 CO 0.00 0.08 0.75 -0.94 0.23 0.00 0.00 176.35 176.48 1yhe s SER 3 N -0.56 5.38 0.24 2.29 1.04 -1.26 -4.92 113.70 115.91 1yhe s SER 3 Ca 0.40 0.04 -0.05 0.00 0.48 0.00 0.00 55.95 56.82 1yhe s SER 3 Cb -0.23 -0.99 0.37 0.00 0.10 0.00 0.00 66.02 65.27 1yhe s SER 3 CO 0.27 -1.06 1.80 -0.65 0.98 0.00 0.00 173.24 174.58 1yhe h PRO 4 N 0.13 0.71 -0.36 4.02 0.11 -2.00 -1.19 132.00 133.43 1yhe h PRO 4 Ca -0.43 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 1yhe h PRO 4 Cb 1.29 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1yhe h PRO 4 CO 0.53 0.47 -0.18 0.00 -0.21 0.00 0.00 178.00 178.61 1yhe h ALA 5 N 1.44 1.00 -0.26 -0.75 0.00 -1.99 -2.11 119.26 116.59 1yhe h ALA 5 Ca 0.38 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1yhe h ALA 5 Cb 0.35 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1yhe h ALA 5 CO -0.25 0.59 0.07 -0.44 0.00 0.00 0.00 179.25 179.23 1yhe h ASP 6 N 0.61 0.07 -0.81 0.00 3.32 -1.65 -1.33 116.42 116.63 1yhe h ASP 6 Ca 0.09 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.18 1yhe h ASP 6 Cb 0.65 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 1yhe h ASP 6 CO 0.05 0.07 0.54 0.11 -1.72 0.00 0.00 179.24 178.29 1yhe h LYS 7 N 0.18 1.07 -0.43 3.56 1.57 -0.97 -0.58 116.57 120.98 1yhe h LYS 7 Ca 0.12 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1yhe h LYS 7 Cb 0.10 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1yhe h LYS 7 CO -0.13 0.71 0.24 1.15 -0.57 0.00 0.00 179.45 180.84 1yhe h THR 8 N 1.10 1.15 -0.50 -0.16 2.02 -1.17 -1.17 112.91 114.19 1yhe h THR 8 Ca 0.30 -0.39 -0.03 0.00 0.77 0.00 0.00 66.41 67.05 1yhe h THR 8 Cb -0.13 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1yhe h THR 8 CO -0.06 0.16 0.18 0.78 0.37 0.00 0.00 175.52 176.94 1yhe h ASN 9 N 0.56 0.71 -0.30 4.18 -0.26 -0.74 -1.81 115.58 117.91 1yhe h ASN 9 Ca 0.15 -0.19 -0.06 0.00 -0.56 0.00 0.00 56.30 55.64 1yhe h ASN 9 Cb 0.05 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.11 1yhe h ASN 9 CO -0.02 0.71 -0.04 0.58 -1.06 0.00 0.00 177.43 177.59 1yhe h VAL 10 N 0.67 1.27 -0.89 2.81 2.07 -0.97 -1.03 116.25 120.19 1yhe h VAL 10 Ca 0.16 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.63 1yhe h VAL 10 Cb 0.24 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1yhe h VAL 10 CO -0.01 0.33 0.47 0.11 0.02 0.00 0.00 177.57 178.49 1yhe h LYS 11 N 0.33 1.25 -0.29 1.57 1.57 -1.17 -1.24 116.57 118.59 1yhe h LYS 11 Ca 0.08 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 1yhe h LYS 11 Cb 0.50 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1yhe h LYS 11 CO 0.02 0.93 0.03 0.00 -0.57 0.00 0.00 179.45 179.86 1yhe h ALA 12 N 1.25 0.38 -0.04 3.86 0.00 -1.19 0.17 119.26 123.69 1yhe h ALA 12 Ca 0.31 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1yhe h ALA 12 Cb 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1yhe h ALA 12 CO -0.05 0.09 -0.01 0.00 0.00 0.00 0.00 179.25 179.29 1yhe h ALA 13 N 0.86 0.06 -0.59 0.00 0.00 -1.06 -2.27 119.26 116.26 1yhe h ALA 13 Ca 0.08 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.73 1yhe h ALA 13 Cb 0.37 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1yhe h ALA 13 CO 0.01 -0.25 0.07 2.35 0.00 0.00 0.00 179.25 181.43 1yhe h TRP 14 N -0.26 1.02 -0.75 0.00 2.91 -1.24 -1.74 115.95 115.90 1yhe h TRP 14 Ca 0.01 -0.14 0.11 0.00 1.13 0.00 0.00 58.89 60.01 1yhe h TRP 14 Cb 0.38 -0.28 -0.08 0.00 -0.51 0.00 0.00 29.16 28.67 1yhe h TRP 14 CO 0.05 0.88 0.36 0.78 -1.03 0.00 0.00 178.44 179.48 1yhe h GLY 15 N 1.02 1.14 2.00 2.65 0.00 -0.58 0.02 103.07 109.32 1yhe h GLY 15 Ca 0.18 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.23 1yhe h GLY 15 CO 0.01 0.02 -0.29 0.50 0.00 0.00 0.00 176.54 176.78 1yhe h LYS 16 N 0.58 0.00 -0.36 4.80 1.79 -0.73 -2.62 116.57 120.03 1yhe h LYS 16 Ca 0.38 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.84 1yhe h LYS 16 Cb 0.46 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.10 1yhe h LYS 16 CO -0.31 0.29 0.19 0.28 -1.08 0.00 0.00 179.45 178.82 1yhe h VAL 17 N 0.00 1.15 0.00 0.50 2.07 -0.24 -3.46 116.25 116.27 1yhe h VAL 17 Ca -0.00 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.11 1yhe h VAL 17 Cb 0.70 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1yhe h VAL 17 CO 0.04 0.16 0.00 0.61 0.02 0.00 0.00 177.57 178.40 1yhe n GLY 18 N -0.94 2.95 0.00 2.17 0.00 -0.85 -0.52 105.19 108.01 1yhe n GLY 18 Ca -0.01 0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.09 1yhe n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yhe n ALA 19 N 9.54 2.18 1.08 4.61 0.00 -1.26 -2.49 120.51 134.17 1yhe n ALA 19 Ca 0.00 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1yhe n ALA 19 Cb 0.00 -1.04 0.17 0.00 0.00 0.00 0.00 19.45 18.58 1yhe n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yhe n HIS 20 N -0.56 0.00 -0.25 0.00 8.25 0.32 -4.64 115.22 118.34 1yhe n HIS 20 Ca 0.02 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.45 1yhe n HIS 20 Cb 0.01 -0.11 0.03 0.00 1.12 0.00 0.00 29.99 31.04 1yhe n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yhe h ALA 21 N 3.41 0.11 -0.11 -1.41 0.00 -1.61 -1.05 119.26 118.60 1yhe h ALA 21 Ca 0.00 0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.16 1yhe h ALA 21 Cb 0.56 0.79 -0.04 0.00 0.00 0.00 0.00 17.79 19.10 1yhe h ALA 21 CO 0.00 -0.61 -0.10 0.78 0.00 0.00 0.00 179.25 179.32 1yhe h GLY 22 N -0.10 -0.02 0.57 0.00 0.00 -1.85 0.11 103.07 101.79 1yhe h GLY 22 Ca 0.29 0.13 0.09 0.00 0.00 0.00 0.00 47.33 47.84 1yhe h GLY 22 CO -0.77 -0.11 0.57 -2.09 0.00 0.00 0.00 176.54 174.13 1yhe h GLU 23 N -0.12 0.93 -0.02 4.80 4.81 -1.69 -1.44 114.58 121.84 1yhe h GLU 23 Ca 0.08 -0.06 -0.17 0.00 -0.13 0.00 0.00 59.36 59.09 1yhe h GLU 23 Cb 0.24 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1yhe h GLU 23 CO -0.19 0.61 -0.73 1.88 -0.73 0.00 0.00 179.01 179.85 1yhe h TYR 24 N 0.96 0.22 -0.45 0.92 0.05 -0.16 -2.25 116.97 116.25 1yhe h TYR 24 Ca 0.44 -0.10 -0.04 0.00 0.05 0.00 0.00 58.73 59.08 1yhe h TYR 24 Cb 0.35 -0.03 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 1yhe h TYR 24 CO -0.03 0.83 0.13 0.78 -1.05 0.00 0.00 178.16 178.83 1yhe h GLY 25 N 1.78 0.76 1.01 3.88 0.00 -0.32 -0.25 103.07 109.93 1yhe h GLY 25 Ca -0.02 -0.46 -0.02 0.00 0.00 0.00 0.00 47.33 46.83 1yhe h GLY 25 CO 0.11 0.43 0.39 0.00 0.00 0.00 0.00 176.54 177.46 1yhe h ALA 26 N 0.99 0.96 -0.25 3.60 0.00 -1.12 -1.97 119.26 121.47 1yhe h ALA 26 Ca 0.14 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1yhe h ALA 26 Cb 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1yhe h ALA 26 CO -0.00 0.49 -0.47 1.49 0.00 0.00 0.00 179.25 180.76 1yhe h GLU 27 N 1.03 0.65 -0.53 0.00 4.81 -1.20 -1.64 114.58 117.71 1yhe h GLU 27 Ca 0.26 -0.37 0.04 0.00 -0.13 0.00 0.00 59.36 59.16 1yhe h GLU 27 Cb 0.07 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.44 1yhe h GLU 27 CO -0.04 0.98 0.29 0.00 -0.73 0.00 0.00 179.01 179.51 1yhe h ALA 28 N 0.96 0.68 -0.53 2.92 0.00 -0.86 -0.14 119.26 122.28 1yhe h ALA 28 Ca 0.03 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1yhe h ALA 28 Cb 1.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1yhe h ALA 28 CO 0.10 -0.04 0.16 -0.07 0.00 0.00 0.00 179.25 179.40 1yhe h LEU 29 N 0.56 0.78 0.04 0.00 3.38 -0.97 -1.23 115.31 117.88 1yhe h LEU 29 Ca 0.23 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1yhe h LEU 29 Cb 0.10 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1yhe h LEU 29 CO -0.14 0.79 -0.02 -0.08 0.09 0.00 0.00 178.44 179.08 1yhe h GLU 30 N 0.74 -0.06 -0.70 1.13 4.81 -1.00 -0.62 114.58 118.89 1yhe h GLU 30 Ca 0.17 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.53 1yhe h GLU 30 Cb 0.29 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.59 1yhe h GLU 30 CO -0.00 -0.01 0.26 0.00 -0.73 0.00 0.00 179.01 178.53 1yhe h ARG 31 N -0.09 0.40 -0.04 1.92 3.08 -0.91 -1.56 114.38 117.17 1yhe h ARG 31 Ca -0.01 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 1yhe h ARG 31 Cb 0.08 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.04 1yhe h ARG 31 CO 0.01 0.26 0.01 1.98 -1.07 0.00 0.00 179.97 181.16 1yhe h MET 32 N 0.41 0.07 -0.92 0.04 4.05 -0.59 0.42 114.93 118.41 1yhe h MET 32 Ca 0.37 -0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.83 1yhe h MET 32 Cb 0.54 -0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.27 1yhe h MET 32 CO -0.38 0.30 0.59 0.74 0.23 0.00 0.00 176.91 178.39 1yhe h PHE 33 N -0.17 1.10 0.01 1.39 0.04 -0.79 0.31 116.94 118.84 1yhe h PHE 33 Ca 0.01 0.03 -0.21 0.00 2.80 0.00 0.00 57.97 60.60 1yhe h PHE 33 Cb 0.27 -0.36 0.02 0.00 2.20 0.00 0.00 35.95 38.07 1yhe h PHE 33 CO 0.01 0.59 -0.84 -0.07 -0.60 0.00 0.00 178.31 177.40 1yhe h LEU 34 N 1.10 0.71 -0.20 1.54 3.38 -1.24 -3.21 115.31 117.40 1yhe h LEU 34 Ca 0.39 -0.76 -0.21 0.00 0.09 0.00 0.00 57.88 57.38 1yhe h LEU 34 Cb 0.10 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1yhe h LEU 34 CO -0.15 1.39 -0.94 0.28 0.09 0.00 0.00 178.44 179.11 1yhe h SER 35 N 0.12 0.33 -2.72 -0.43 0.02 -0.82 -3.40 113.55 106.65 1yhe h SER 35 Ca -0.11 -0.28 -0.60 0.00 -0.84 0.00 0.00 61.79 59.96 1yhe h SER 35 Cb 1.53 -0.10 -0.40 0.00 0.14 0.00 0.00 62.40 63.57 1yhe h SER 35 CO 0.17 1.10 -0.81 -0.36 -1.14 0.00 0.00 176.83 175.79 1yhe s PHE 36 N -3.14 2.08 0.54 3.45 0.08 0.11 -4.99 117.98 116.11 1yhe s PHE 36 Ca -0.04 -2.70 0.26 0.00 0.12 0.00 0.00 56.93 54.58 1yhe s PHE 36 Cb 0.09 -1.66 1.62 0.00 -0.57 0.00 0.00 43.02 42.51 1yhe s PHE 36 CO 0.84 -0.72 2.19 -1.35 -0.10 0.00 0.00 175.22 176.08 1yhe h PRO 37 N 5.65 0.00 -0.08 0.24 0.11 -1.72 -0.88 132.00 135.32 1yhe h PRO 37 Ca 0.20 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.33 1yhe h PRO 37 Cb 0.85 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1yhe h PRO 37 CO 0.51 0.04 0.09 1.79 -0.21 0.00 0.00 178.00 180.21 1yhe h THR 38 N 0.00 0.50 0.00 -1.15 1.35 -1.91 -0.52 112.91 111.18 1yhe h THR 38 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1yhe h THR 38 Cb 0.09 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 67.44 1yhe h THR 38 CO 0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1yhe h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.48 -2.69 112.91 116.91 1yhe h THR 39 Ca 0.04 -0.24 -0.05 0.00 -0.55 0.00 0.00 66.41 65.60 1yhe h THR 39 Cb 0.22 1.09 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 1yhe h THR 39 CO -0.00 0.00 -0.24 0.11 -0.25 0.00 0.00 175.52 175.14 1yhe h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.28 -2.96 116.57 118.62 1yhe h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yhe h LYS 40 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1yhe h LYS 40 CO 0.00 0.24 0.10 0.25 -0.57 0.00 0.00 179.45 179.47 1yhe n THR 41 N -3.83 0.95 1.21 -0.16 -2.24 -1.02 -0.57 114.28 108.63 1yhe n THR 41 Ca -0.02 0.73 0.13 0.00 -2.27 0.00 0.00 64.05 62.62 1yhe n THR 41 Cb 0.34 -1.73 0.29 0.00 -2.10 0.00 0.00 70.33 67.13 1yhe n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1yhe n TYR 42 N -2.14 0.00 -2.61 4.78 4.01 -1.12 -4.50 117.16 115.58 1yhe n TYR 42 Ca -0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.60 1yhe n TYR 42 Cb 0.12 -0.06 0.03 0.00 -0.31 0.00 0.00 39.34 39.12 1yhe n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1yhe n PHE 43 N -0.16 1.74 0.61 -0.72 3.01 0.27 -4.87 117.46 117.35 1yhe n PHE 43 Ca 0.13 -2.74 0.12 0.00 1.01 0.00 0.00 57.45 55.97 1yhe n PHE 43 Cb 0.40 -0.29 0.46 0.00 -0.01 0.00 0.00 39.48 40.04 1yhe n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1yhe n PRO 44 N -0.26 0.14 0.00 -1.08 -0.04 -1.25 -2.49 135.00 130.02 1yhe n PRO 44 Ca 0.17 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 64.00 1yhe n PRO 44 Cb 0.79 -1.71 0.29 0.00 -0.04 0.00 0.00 33.50 32.83 1yhe n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1yhe n HIS 45 N -1.96 0.00 -3.84 0.54 1.44 -1.26 -4.90 115.22 105.24 1yhe n HIS 45 Ca 0.04 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.44 1yhe n HIS 45 Cb 0.31 -0.06 -0.04 0.00 0.12 0.00 0.00 29.99 30.32 1yhe n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1yhe s PHE 46 N -2.35 3.51 -0.14 -1.40 0.40 -1.04 -5.07 117.98 111.90 1yhe s PHE 46 Ca 0.26 0.37 -0.29 0.00 -0.60 0.00 0.00 56.93 56.67 1yhe s PHE 46 Cb 0.19 -1.85 -0.01 0.00 0.51 0.00 0.00 43.02 41.87 1yhe s PHE 46 CO 0.47 0.55 1.00 0.34 0.70 0.00 0.00 175.22 178.29 1yhe s ASP 47 N -2.40 7.18 -0.02 1.36 2.15 -1.26 -4.92 116.67 118.77 1yhe s ASP 47 Ca 0.36 1.46 0.10 0.00 0.43 0.00 0.00 52.55 54.90 1yhe s ASP 47 Cb -0.13 -2.54 0.30 0.00 -0.30 0.00 0.00 42.92 40.25 1yhe s ASP 47 CO 0.26 -0.50 1.25 0.18 -0.17 0.00 0.00 175.17 176.18 1yhe n LEU 48 N 5.38 2.94 -4.73 -1.34 4.77 -1.26 -4.50 117.00 118.27 1yhe n LEU 48 Ca 0.09 -2.11 -0.34 0.00 -0.03 0.00 0.00 56.01 53.63 1yhe n LEU 48 Cb 0.48 -0.24 0.09 0.00 -2.33 0.00 0.00 43.42 41.42 1yhe n LEU 48 CO 0.52 0.71 0.78 -0.94 -1.33 0.00 0.00 177.39 177.13 1yhe s SER 49 N -1.10 4.25 0.25 -1.43 1.04 -1.26 -4.89 113.70 110.56 1yhe s SER 49 Ca 0.23 2.30 -0.31 0.00 0.48 0.00 0.00 55.95 58.65 1yhe s SER 49 Cb 0.13 -2.58 -0.14 0.00 0.10 0.00 0.00 66.02 63.53 1yhe s SER 49 CO 0.14 -2.22 1.30 1.57 0.98 0.00 0.00 173.24 175.01 1yhe n HIS 50 N -2.76 1.92 -0.95 5.02 -0.00 -1.26 -1.61 115.22 115.58 1yhe n HIS 50 Ca 0.13 0.53 0.00 0.00 0.46 0.00 0.00 57.72 58.83 1yhe n HIS 50 Cb 0.51 -2.40 0.00 0.00 -0.12 0.00 0.00 29.99 27.98 1yhe n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yhe n GLY 51 N 1.84 0.93 3.58 1.57 0.00 -1.26 -4.95 105.19 106.91 1yhe n GLY 51 Ca 0.11 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.64 1yhe n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yhe n SER 52 N 0.00 1.46 -0.06 1.61 2.88 -0.63 -4.84 113.62 114.04 1yhe n SER 52 Ca 0.00 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1yhe n SER 52 Cb 0.00 -1.22 0.29 0.00 -0.75 0.00 0.00 64.21 62.54 1yhe n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yhe h ALA 53 N 3.68 1.42 -0.58 -1.46 0.00 -1.89 -1.40 119.26 119.03 1yhe h ALA 53 Ca -0.44 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 1yhe h ALA 53 Cb 1.34 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1yhe h ALA 53 CO 0.72 0.43 0.01 1.96 0.00 0.00 0.00 179.25 182.37 1yhe h GLN 54 N 0.65 1.02 -0.21 0.00 4.20 -1.88 -0.42 115.11 118.47 1yhe h GLN 54 Ca 0.16 -0.32 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 1yhe h GLN 54 Cb 0.18 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 1yhe h GLN 54 CO -0.01 1.00 0.10 0.28 -0.67 0.00 0.00 178.83 179.53 1yhe h VAL 55 N 0.91 1.14 -0.06 -0.54 2.07 -1.73 -1.19 116.25 116.85 1yhe h VAL 55 Ca 0.17 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1yhe h VAL 55 Cb 0.54 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 1yhe h VAL 55 CO 0.03 0.14 0.01 0.11 0.02 0.00 0.00 177.57 177.87 1yhe h LYS 56 N 0.21 0.03 -0.80 1.57 1.79 -1.06 0.18 116.57 118.48 1yhe h LYS 56 Ca 0.07 -0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.58 1yhe h LYS 56 Cb 0.13 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.72 1yhe h LYS 56 CO -0.01 0.02 0.53 0.78 -1.08 0.00 0.00 179.45 179.69 1yhe h GLY 57 N 0.03 1.12 1.57 3.86 0.00 -0.96 -2.53 103.07 106.17 1yhe h GLY 57 Ca 0.03 -0.38 -0.27 0.00 0.00 0.00 0.00 47.33 46.71 1yhe h GLY 57 CO -0.04 0.31 -1.19 0.84 0.00 0.00 0.00 176.54 176.47 1yhe h HIS 58 N 0.95 0.58 -1.01 5.60 -0.00 -0.77 -3.02 115.15 117.48 1yhe h HIS 58 Ca 0.33 -0.39 0.14 0.00 -0.00 0.00 0.00 60.37 60.45 1yhe h HIS 58 Cb 0.09 -0.04 -0.09 0.00 -0.00 0.00 0.00 27.41 27.38 1yhe h HIS 58 CO -0.00 1.28 0.63 0.78 -0.00 0.00 0.00 177.93 180.61 1yhe h GLY 59 N 1.34 1.70 1.23 5.26 0.00 -0.32 -0.97 103.07 111.31 1yhe h GLY 59 Ca -0.13 -0.41 -0.11 0.00 0.00 0.00 0.00 47.33 46.68 1yhe h GLY 59 CO 0.20 0.09 -0.14 1.70 0.00 0.00 0.00 176.54 178.39 1yhe h LYS 60 N 0.92 0.90 -0.21 4.80 1.63 -1.34 -0.76 116.57 122.51 1yhe h LYS 60 Ca 0.53 -0.33 -0.18 0.00 -0.85 0.00 0.00 60.65 59.82 1yhe h LYS 60 Cb 0.62 -0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 32.19 1yhe h LYS 60 CO -0.30 0.98 -0.58 0.87 -3.45 0.00 0.00 179.45 176.96 1yhe h LYS 61 N 0.80 0.66 -0.12 1.90 1.57 -1.14 0.71 116.57 120.95 1yhe h LYS 61 Ca 0.12 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.46 1yhe h LYS 61 Cb 0.67 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1yhe h LYS 61 CO 0.05 1.06 0.05 0.28 -0.57 0.00 0.00 179.45 180.32 1yhe h VAL 62 N 0.50 1.13 -0.46 0.50 2.07 -0.94 -1.80 116.25 117.25 1yhe h VAL 62 Ca 0.00 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.13 1yhe h VAL 62 Cb 1.16 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1yhe h VAL 62 CO 0.12 0.12 0.27 0.00 0.02 0.00 0.00 177.57 178.10 1yhe h ALA 63 N 0.91 0.58 -0.91 1.67 0.00 -1.00 -1.93 119.26 118.58 1yhe h ALA 63 Ca 0.04 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.91 1yhe h ALA 63 Cb 0.14 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1yhe h ALA 63 CO -0.00 0.07 0.60 -0.44 0.00 0.00 0.00 179.25 179.48 1yhe h ASP 64 N 0.60 1.01 -0.56 0.00 3.32 -0.76 -0.59 116.42 119.45 1yhe h ASP 64 Ca 0.16 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 1yhe h ASP 64 Cb 0.00 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.28 1yhe h ASP 64 CO -0.03 0.71 0.19 0.00 -1.72 0.00 0.00 179.24 178.39 1yhe h ALA 65 N 1.45 1.21 -0.27 3.45 0.00 -0.81 -1.58 119.26 122.71 1yhe h ALA 65 Ca 0.35 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 1yhe h ALA 65 Cb -0.06 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1yhe h ALA 65 CO -0.09 0.56 -0.48 -0.07 0.00 0.00 0.00 179.25 179.17 1yhe h LEU 66 N 0.88 0.78 -0.77 0.00 3.38 -0.59 -1.68 115.31 117.32 1yhe h LEU 66 Ca 0.20 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1yhe h LEU 66 Cb 0.25 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 1yhe h LEU 66 CO -0.01 1.14 0.49 0.74 0.09 0.00 0.00 178.44 180.89 1yhe h THR 67 N 0.57 1.21 -0.46 0.22 2.02 -0.85 -0.27 112.91 115.34 1yhe h THR 67 Ca 0.03 -0.40 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 1yhe h THR 67 Cb 1.04 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 1yhe h THR 67 CO 0.10 0.20 0.22 -1.13 0.37 0.00 0.00 175.52 175.28 1yhe h ASN 68 N 1.05 0.61 -0.75 4.18 -1.24 -1.20 0.61 115.58 118.83 1yhe h ASN 68 Ca 0.28 -0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.16 1yhe h ASN 68 Cb -0.09 -0.16 -0.04 0.00 0.73 0.00 0.00 38.32 38.77 1yhe h ASN 68 CO -0.06 0.57 0.48 0.00 -1.29 0.00 0.00 177.43 177.13 1yhe h ALA 69 N 1.06 0.96 -0.64 1.57 0.00 -0.65 -0.88 119.26 120.68 1yhe h ALA 69 Ca 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1yhe h ALA 69 Cb 0.13 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1yhe h ALA 69 CO -0.02 0.40 0.40 0.28 0.00 0.00 0.00 179.25 180.31 1yhe h VAL 70 N 1.03 1.18 0.00 0.00 2.07 -0.73 -1.83 116.25 117.97 1yhe h VAL 70 Ca 0.27 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1yhe h VAL 70 Cb -0.08 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 1yhe h VAL 70 CO -0.06 0.18 -0.05 0.00 0.02 0.00 0.00 177.57 177.67 1yhe h ALA 71 N 1.21 1.22 -1.43 1.67 0.00 0.06 -2.96 119.26 119.02 1yhe h ALA 71 Ca 0.23 -0.05 -0.53 0.00 0.00 0.00 0.00 54.91 54.56 1yhe h ALA 71 Cb -0.04 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.32 1yhe h ALA 71 CO -0.05 0.06 -0.85 0.72 0.00 0.00 0.00 179.25 179.14 1yhe n HIS 72 N -3.46 2.83 0.24 0.00 8.25 -0.43 -4.89 115.22 117.76 1yhe n HIS 72 Ca -0.02 -3.09 0.10 0.00 -0.26 0.00 0.00 57.72 54.45 1yhe n HIS 72 Cb 0.17 -0.18 0.62 0.00 1.12 0.00 0.00 29.99 31.72 1yhe n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1yhe h VAL 73 N 2.68 0.75 -0.30 1.59 3.04 -1.19 -0.78 116.25 122.03 1yhe h VAL 73 Ca 0.19 -0.70 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1yhe h VAL 73 Cb 0.97 1.43 0.00 0.00 -2.01 0.00 0.00 31.29 31.68 1yhe h VAL 73 CO 0.76 0.17 0.00 0.47 -1.01 0.00 0.00 177.57 177.96 1yhe n ASP 74 N -3.78 1.70 -2.72 3.17 8.00 -1.26 -4.22 116.55 117.44 1yhe n ASP 74 Ca -0.02 -1.95 -0.03 0.00 0.71 0.00 0.00 54.79 53.50 1yhe n ASP 74 Cb 0.28 -0.20 0.10 0.00 -0.02 0.00 0.00 41.12 41.28 1yhe n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1yhe n ASP 75 N 0.41 -0.44 -0.27 -2.24 2.03 -0.32 -5.01 116.55 110.72 1yhe n ASP 75 Ca 0.12 -2.26 -0.07 0.00 0.52 0.00 0.00 54.79 53.11 1yhe n ASP 75 Cb 0.28 0.31 0.05 0.00 -0.72 0.00 0.00 41.12 41.04 1yhe n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1yhe h MET 76 N 1.80 1.11 -0.90 -0.67 2.86 -1.68 -0.10 114.93 117.36 1yhe h MET 76 Ca -0.30 -0.22 0.08 0.00 -2.06 0.00 0.00 59.70 57.20 1yhe h MET 76 Cb 1.28 -0.17 -0.06 0.00 0.06 0.00 0.00 31.60 32.71 1yhe h MET 76 CO -0.00 0.93 0.58 -1.35 1.06 0.00 0.00 176.91 178.13 1yhe h PRO 77 N 1.07 0.91 0.13 -0.22 0.11 -1.95 -0.54 132.00 131.52 1yhe h PRO 77 Ca 0.24 -0.06 -0.19 0.00 0.11 0.00 0.00 66.00 66.11 1yhe h PRO 77 Cb 0.25 -0.21 0.02 0.00 0.11 0.00 0.00 31.00 31.18 1yhe h PRO 77 CO -0.01 0.61 -0.81 -0.91 -0.21 0.00 0.00 178.00 176.66 1yhe h ASN 78 N 0.94 0.49 -0.27 -2.05 2.35 -1.90 -2.89 115.58 112.26 1yhe h ASN 78 Ca 0.40 -0.93 0.03 0.00 -0.55 0.00 0.00 56.30 55.26 1yhe h ASN 78 Cb 0.32 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1yhe h ASN 78 CO -0.16 1.38 0.18 0.00 -1.65 0.00 0.00 177.43 177.18 1yhe h ALA 79 N 0.11 1.98 -0.50 -0.83 0.00 -0.64 -2.63 119.26 116.77 1yhe h ALA 79 Ca -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1yhe h ALA 79 Cb 1.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1yhe h ALA 79 CO 0.15 -0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.66 1yhe n LEU 80 N -4.49 3.92 -0.21 0.00 4.77 -0.24 -4.67 117.00 116.07 1yhe n LEU 80 Ca 0.02 -2.35 0.01 0.00 -0.03 0.00 0.00 56.01 53.67 1yhe n LEU 80 Cb 0.19 -0.45 0.11 0.00 -2.33 0.00 0.00 43.42 40.93 1yhe n LEU 80 CO 0.35 0.79 0.83 -1.28 -1.33 0.00 0.00 177.39 176.74 1yhe h SER 81 N 3.05 -0.29 -0.54 -1.43 0.87 -1.24 -0.16 113.55 113.82 1yhe h SER 81 Ca 0.00 0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 60.65 1yhe h SER 81 Cb 1.16 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 63.38 1yhe h SER 81 CO 0.13 -0.12 0.06 0.00 -0.53 0.00 0.00 176.83 176.37 1yhe h ALA 82 N 1.58 0.72 -0.26 6.23 0.00 -1.83 -2.12 119.26 123.58 1yhe h ALA 82 Ca 0.33 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1yhe h ALA 82 Cb 0.54 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1yhe h ALA 82 CO -0.55 0.48 -0.27 -0.07 0.00 0.00 0.00 179.25 178.84 1yhe h LEU 83 N 0.79 0.52 -0.68 0.00 3.38 -1.65 -1.82 115.31 115.84 1yhe h LEU 83 Ca 0.16 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 1yhe h LEU 83 Cb 0.44 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1yhe h LEU 83 CO 0.02 0.78 -0.07 -1.28 0.09 0.00 0.00 178.44 177.97 1yhe h SER 84 N 0.45 0.94 -0.43 -0.43 0.87 -0.75 -1.43 113.55 112.75 1yhe h SER 84 Ca 0.06 -0.28 -0.06 0.00 -1.23 0.00 0.00 61.79 60.27 1yhe h SER 84 Cb 0.71 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 1yhe h SER 84 CO 0.05 1.03 0.02 0.44 -0.53 0.00 0.00 176.83 177.85 1yhe h ASP 85 N 0.86 0.73 -0.22 6.23 3.32 -1.07 -1.32 116.42 124.95 1yhe h ASP 85 Ca 0.15 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 56.92 1yhe h ASP 85 Cb 0.60 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.94 1yhe h ASP 85 CO 0.04 0.84 0.10 0.25 -1.72 0.00 0.00 179.24 178.75 1yhe h LEU 86 N 0.59 0.15 -0.61 1.55 7.12 -1.24 0.16 115.31 123.04 1yhe h LEU 86 Ca 0.13 0.01 -0.12 0.00 0.13 0.00 0.00 57.88 58.03 1yhe h LEU 86 Cb 0.45 -0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.55 1yhe h LEU 86 CO 0.02 0.12 -0.18 0.45 -0.13 0.00 0.00 178.44 178.72 1yhe h HIS 87 N 0.23 1.03 -0.03 1.25 3.86 -1.22 -0.36 115.15 119.90 1yhe h HIS 87 Ca 0.09 -0.23 -0.24 0.00 -1.16 0.00 0.00 60.37 58.83 1yhe h HIS 87 Cb 0.03 -0.25 0.01 0.00 1.06 0.00 0.00 27.41 28.26 1yhe h HIS 87 CO -0.10 1.01 -0.95 0.00 0.86 0.00 0.00 177.93 178.75 1yhe h ALA 88 N 0.99 0.25 0.00 2.45 0.00 -0.94 0.43 119.26 122.43 1yhe h ALA 88 Ca 0.11 -0.68 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 1yhe h ALA 88 Cb 0.73 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1yhe h ALA 88 CO 0.06 0.72 -1.78 0.72 0.00 0.00 0.00 179.25 178.97 1yhe n HIS 89 N -3.84 0.00 -0.07 0.00 8.25 0.52 -4.39 115.22 115.70 1yhe n HIS 89 Ca -0.09 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.23 1yhe n HIS 89 Cb 0.84 -0.46 -0.05 0.00 1.12 0.00 0.00 29.99 31.44 1yhe n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1yhe n LYS 90 N -2.19 0.33 0.11 -0.41 4.81 -0.67 -4.81 118.16 115.34 1yhe n LYS 90 Ca -0.10 0.14 -0.23 0.00 -0.87 0.00 0.00 58.31 57.26 1yhe n LYS 90 Cb 0.58 -1.06 -0.15 0.00 0.02 0.00 0.00 35.03 34.42 1yhe n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1yhe h LEU 91 N -0.58 0.72 -2.01 3.14 3.38 -1.20 -3.49 115.31 115.29 1yhe h LEU 91 Ca -0.30 -0.93 -0.43 0.00 0.09 0.00 0.00 57.88 56.31 1yhe h LEU 91 Cb 1.15 -0.23 0.04 0.00 0.09 0.00 0.00 40.66 41.71 1yhe h LEU 91 CO -0.18 1.60 -0.86 0.54 0.09 0.00 0.00 178.44 179.63 1yhe n ARG 92 N -3.87 -4.01 -2.67 1.13 1.74 0.15 -4.93 116.66 104.20 1yhe n ARG 92 Ca -0.16 0.56 -0.42 0.00 -0.77 0.00 0.00 57.85 57.07 1yhe n ARG 92 Cb 1.00 -4.94 -0.03 0.00 -1.02 0.00 0.00 32.46 27.47 1yhe n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1yhe s VAL 93 N -3.70 4.64 0.25 1.55 1.01 -1.25 -4.98 120.40 117.92 1yhe s VAL 93 Ca 0.07 1.97 -0.30 0.00 0.00 0.00 0.00 61.98 63.72 1yhe s VAL 93 Cb -0.02 -4.26 -0.11 0.00 0.00 0.00 0.00 36.38 31.99 1yhe s VAL 93 CO 0.83 0.19 1.55 -0.62 0.00 0.00 0.00 175.10 177.06 1yhe s ASP 94 N 0.74 6.50 0.46 3.32 -1.08 -1.26 -4.85 116.67 120.50 1yhe s ASP 94 Ca 0.52 2.80 0.28 0.00 -0.52 0.00 0.00 52.55 55.62 1yhe s ASP 94 Cb -0.23 -2.62 1.34 0.00 -1.46 0.00 0.00 42.92 39.95 1yhe s ASP 94 CO 0.29 -0.83 1.76 -0.65 0.52 0.00 0.00 175.17 176.26 1yhe h PRO 95 N 5.39 0.19 0.00 4.34 0.11 -2.00 -0.94 132.00 139.08 1yhe h PRO 95 Ca -0.46 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 1yhe h PRO 95 Cb 1.21 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1yhe h PRO 95 CO 0.82 0.12 -0.01 -0.39 -0.21 0.00 0.00 178.00 178.33 1yhe h VAL 96 N 0.19 0.52 0.00 3.15 -1.51 -2.04 -1.89 116.25 114.67 1yhe h VAL 96 Ca 0.62 -0.06 -0.04 0.00 -1.23 0.00 0.00 66.70 65.98 1yhe h VAL 96 Cb 1.99 1.04 -0.01 0.00 -2.13 0.00 0.00 31.29 32.19 1yhe h VAL 96 CO -0.19 0.01 -0.20 0.78 -1.23 0.00 0.00 177.57 176.74 1yhe h ASN 97 N 0.00 0.00 -0.45 4.19 4.21 -1.52 -2.95 115.58 119.06 1yhe h ASN 97 Ca -0.00 0.00 -0.04 0.00 1.21 0.00 0.00 56.30 57.47 1yhe h ASN 97 Cb 0.04 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.22 1yhe h ASN 97 CO 0.00 0.20 0.15 -0.26 -1.29 0.00 0.00 177.43 176.24 1yhe h PHE 98 N 0.00 0.76 -0.45 1.19 -1.00 -1.52 -1.46 116.94 114.46 1yhe h PHE 98 Ca -0.00 -0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.69 1yhe h PHE 98 Cb 0.62 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 1yhe h PHE 98 CO 0.00 0.63 0.14 0.87 -1.61 0.00 0.00 178.31 178.34 1yhe h LYS 99 N 0.73 0.65 -0.06 1.51 1.57 -1.68 -0.81 116.57 118.49 1yhe h LYS 99 Ca 0.17 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 1yhe h LYS 99 Cb 0.22 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.42 1yhe h LYS 99 CO -0.01 0.57 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.29 1yhe h LEU 100 N 0.64 0.18 -0.55 2.94 3.38 -1.37 -1.75 115.31 118.77 1yhe h LEU 100 Ca 0.15 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1yhe h LEU 100 Cb 0.19 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1yhe h LEU 100 CO -0.01 0.66 0.35 0.25 0.09 0.00 0.00 178.44 179.79 1yhe h LEU 101 N -0.31 0.65 -0.69 1.67 5.85 -1.30 -2.14 115.31 119.05 1yhe h LEU 101 Ca 0.01 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.77 1yhe h LEU 101 Cb 0.62 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.43 1yhe h LEU 101 CO 0.02 0.49 0.36 0.28 -0.34 0.00 0.00 178.44 179.25 1yhe h SER 102 N 0.75 0.49 -0.57 1.25 0.02 -1.10 0.03 113.55 114.42 1yhe h SER 102 Ca 0.20 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.17 1yhe h SER 102 Cb -0.05 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 1yhe h SER 102 CO -0.04 0.30 0.25 -0.74 -1.14 0.00 0.00 176.83 175.45 1yhe h HIS 103 N 0.63 0.84 -0.02 3.45 -0.00 -1.09 -1.71 115.15 117.24 1yhe h HIS 103 Ca 0.33 -0.05 -0.06 0.00 -0.00 0.00 0.00 60.37 60.58 1yhe h HIS 103 Cb 0.29 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 1yhe h HIS 103 CO -0.10 0.67 -0.28 0.00 -0.00 0.00 0.00 177.93 178.22 1yhe h LEU 105 N 0.04 0.80 -0.54 0.00 3.38 -0.65 -1.83 115.31 116.51 1yhe h LEU 105 Ca 0.00 -0.45 -0.06 0.00 0.09 0.00 0.00 57.88 57.47 1yhe h LEU 105 Cb 0.52 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1yhe h LEU 105 CO 0.04 1.08 0.12 -0.07 0.09 0.00 0.00 178.44 179.70 1yhe h LEU 106 N 0.53 0.83 -0.97 1.67 3.38 -0.98 -0.81 115.31 118.96 1yhe h LEU 106 Ca 0.06 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1yhe h LEU 106 Cb 0.82 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 1yhe h LEU 106 CO 0.07 0.85 0.53 0.58 0.09 0.00 0.00 178.44 180.56 1yhe h VAL 107 N 0.77 1.25 -0.34 1.22 2.07 -1.09 -0.74 116.25 119.40 1yhe h VAL 107 Ca 0.17 -0.58 -0.04 0.00 0.82 0.00 0.00 66.70 67.07 1yhe h VAL 107 Cb 0.35 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1yhe h VAL 107 CO 0.00 0.27 0.06 0.74 0.02 0.00 0.00 177.57 178.67 1yhe h THR 108 N 1.25 1.23 -0.55 2.57 2.02 -0.81 -1.54 112.91 117.09 1yhe h THR 108 Ca 0.32 -0.81 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 1yhe h THR 108 Cb -0.02 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 1yhe h THR 108 CO -0.06 0.27 0.15 -0.07 0.37 0.00 0.00 175.52 176.19 1yhe h LEU 109 N 0.39 0.82 -0.86 2.58 3.38 -0.95 -2.35 115.31 118.32 1yhe h LEU 109 Ca 0.10 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1yhe h LEU 109 Cb 0.34 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 1yhe h LEU 109 CO 0.01 0.82 0.55 0.00 0.09 0.00 0.00 178.44 179.91 1yhe h ALA 110 N 1.02 1.16 0.00 1.53 0.00 -1.05 0.32 119.26 122.25 1yhe h ALA 110 Ca 0.17 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1yhe h ALA 110 Cb 0.31 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1yhe h ALA 110 CO -0.00 0.35 -0.26 0.00 0.00 0.00 0.00 179.25 179.34 1yhe h ALA 111 N 1.38 1.14 0.00 0.00 0.00 -0.92 -3.29 119.26 117.57 1yhe h ALA 111 Ca 0.36 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1yhe h ALA 111 Cb 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1yhe h ALA 111 CO -0.14 0.33 -0.57 0.72 0.00 0.00 0.00 179.25 179.59 1yhe n HIS 112 N -3.61 0.00 -3.14 0.00 -0.00 -0.92 -4.77 115.22 102.79 1yhe n HIS 112 Ca -0.01 0.00 -0.25 0.00 -0.00 0.00 0.00 57.72 57.46 1yhe n HIS 112 Cb 0.39 -0.01 -0.05 0.00 -0.00 0.00 0.00 29.99 30.32 1yhe n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1yhe n LEU 113 N -1.29 3.16 -0.02 2.41 4.32 0.11 -4.95 117.00 120.73 1yhe n LEU 113 Ca 0.02 -5.39 0.03 0.00 -0.02 0.00 0.00 56.01 50.65 1yhe n LEU 113 Cb 0.18 -0.22 0.39 0.00 -1.62 0.00 0.00 43.42 42.15 1yhe n LEU 113 CO 0.23 2.24 1.14 1.55 -1.22 0.00 0.00 177.39 181.32 1yhe h PRO 114 N 3.40 0.57 0.10 3.23 0.13 -1.82 -1.67 132.00 135.95 1yhe h PRO 114 Ca 0.14 -0.04 -0.29 0.00 -0.87 0.00 0.00 66.00 64.93 1yhe h PRO 114 Cb 0.67 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 1yhe h PRO 114 CO 0.73 0.41 -1.48 0.00 -0.23 0.00 0.00 178.00 177.42 1yhe h ALA 115 N 1.70 0.29 0.00 -0.56 0.00 -1.94 -3.34 119.26 115.40 1yhe h ALA 115 Ca 0.15 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.97 1yhe h ALA 115 Cb -0.02 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1yhe h ALA 115 CO -0.03 1.16 -0.33 -0.85 0.00 0.00 0.00 179.25 179.20 1yhe n GLU 116 N -3.43 0.17 -2.25 0.00 0.00 -1.00 -4.46 120.64 109.68 1yhe n GLU 116 Ca -0.15 0.08 -0.41 0.00 0.00 0.00 0.00 57.16 56.69 1yhe n GLU 116 Cb 1.03 -1.64 0.00 0.00 0.00 0.00 0.00 31.44 30.83 1yhe n GLU 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1yhe n PHE 117 N -1.91 2.68 -1.83 -1.84 7.35 -0.66 -4.75 117.46 116.50 1yhe n PHE 117 Ca 0.05 -2.76 -0.30 0.00 -0.76 0.00 0.00 57.45 53.68 1yhe n PHE 117 Cb 0.40 -1.76 0.06 0.00 0.35 0.00 0.00 39.48 38.53 1yhe n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yhe s THR 118 N -1.06 3.09 0.24 -2.13 -4.23 -1.26 -4.79 115.64 105.50 1yhe s THR 118 Ca 0.46 0.35 -0.05 0.00 -1.18 0.00 0.00 61.69 61.27 1yhe s THR 118 Cb 0.14 -3.31 0.20 0.00 1.34 0.00 0.00 72.50 70.88 1yhe s THR 118 CO -0.05 -0.46 1.75 -0.65 -0.54 0.00 0.00 174.62 174.67 1yhe h PRO 119 N -0.82 0.48 -0.60 3.99 0.11 -1.99 0.29 132.00 133.47 1yhe h PRO 119 Ca -0.46 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 1yhe h PRO 119 Cb 1.27 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1yhe h PRO 119 CO 0.64 0.32 0.05 0.00 -0.21 0.00 0.00 178.00 178.80 1yhe h ALA 120 N 1.51 0.97 -0.15 -0.75 0.00 -1.96 -1.47 119.26 117.41 1yhe h ALA 120 Ca 0.39 -0.28 -0.21 0.00 0.00 0.00 0.00 54.91 54.82 1yhe h ALA 120 Cb 0.54 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1yhe h ALA 120 CO -0.36 0.64 -0.72 0.28 0.00 0.00 0.00 179.25 179.08 1yhe h VAL 121 N 0.93 1.30 -0.67 0.00 2.07 -1.67 -1.92 116.25 116.29 1yhe h VAL 121 Ca 0.18 -1.97 0.06 0.00 0.82 0.00 0.00 66.70 65.79 1yhe h VAL 121 Cb 0.46 1.96 -0.06 0.00 -1.52 0.00 0.00 31.29 32.14 1yhe h VAL 121 CO 0.02 0.62 0.37 -0.74 0.02 0.00 0.00 177.57 177.85 1yhe h HIS 122 N 0.48 0.67 -0.29 1.57 6.17 -0.15 -1.30 115.15 122.30 1yhe h HIS 122 Ca -0.04 0.03 -0.03 0.00 0.71 0.00 0.00 60.37 61.04 1yhe h HIS 122 Cb 1.33 -0.20 -0.01 0.00 2.52 0.00 0.00 27.41 31.05 1yhe h HIS 122 CO 0.07 0.31 0.07 0.00 0.71 0.00 0.00 177.93 179.09 1yhe h ALA 123 N 1.35 0.39 -0.43 5.26 0.00 -1.09 -1.58 119.26 123.16 1yhe h ALA 123 Ca 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1yhe h ALA 123 Cb 0.20 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1yhe h ALA 123 CO -0.19 0.05 0.27 0.77 0.00 0.00 0.00 179.25 180.15 1yhe h SER 124 N 0.31 0.50 -0.95 0.00 0.02 -1.13 -1.97 113.55 110.34 1yhe h SER 124 Ca 0.09 -0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1yhe h SER 124 Cb 0.30 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.67 1yhe h SER 124 CO 0.00 0.39 0.63 -0.07 -1.14 0.00 0.00 176.83 176.64 1yhe h LEU 125 N 0.57 1.09 -0.24 5.07 3.38 -1.11 0.15 115.31 124.22 1yhe h LEU 125 Ca 0.15 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1yhe h LEU 125 Cb -0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 1yhe h LEU 125 CO -0.03 0.78 -0.05 -0.78 0.09 0.00 0.00 178.44 178.46 1yhe h ASP 126 N 1.28 0.45 -0.63 -0.43 3.58 -1.11 -0.38 116.42 119.18 1yhe h ASP 126 Ca 0.35 -0.36 0.01 0.00 0.42 0.00 0.00 57.03 57.45 1yhe h ASP 126 Cb -0.14 -0.12 -0.03 0.00 1.72 0.00 0.00 39.33 40.75 1yhe h ASP 126 CO -0.08 0.70 0.41 0.11 -2.88 0.00 0.00 179.24 177.51 1yhe h LYS 127 N 0.20 0.81 -0.13 0.28 1.57 -1.02 -1.24 116.57 117.04 1yhe h LYS 127 Ca 0.06 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1yhe h LYS 127 Cb 0.50 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1yhe h LYS 127 CO 0.02 0.54 0.06 0.35 -0.57 0.00 0.00 179.45 179.85 1yhe h PHE 128 N 0.84 0.11 -0.01 -1.35 3.57 -0.48 -0.47 116.94 119.13 1yhe h PHE 128 Ca 0.23 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.64 1yhe h PHE 128 Cb -0.08 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.62 1yhe h PHE 128 CO -0.03 0.06 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.55 1yhe h LEU 129 N 0.13 0.03 -0.81 0.59 3.38 -0.92 0.11 115.31 117.83 1yhe h LEU 129 Ca 0.05 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 1yhe h LEU 129 Cb 0.02 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1yhe h LEU 129 CO -0.04 0.52 -0.32 0.00 0.09 0.00 0.00 178.44 178.68 1yhe h ALA 130 N 1.48 0.98 -0.26 1.53 0.00 -0.99 -0.59 119.26 121.41 1yhe h ALA 130 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.38 1yhe h ALA 130 Cb 0.87 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1yhe h ALA 130 CO 0.06 0.60 -0.38 0.77 0.00 0.00 0.00 179.25 180.31 1yhe h SER 131 N 0.45 0.79 -0.28 0.00 0.02 -0.15 -2.23 113.55 112.14 1yhe h SER 131 Ca 0.05 -0.51 0.05 0.00 -0.84 0.00 0.00 61.79 60.54 1yhe h SER 131 Cb 0.78 -0.23 -0.05 0.00 0.14 0.00 0.00 62.40 63.05 1yhe h SER 131 CO 0.06 1.15 -0.02 0.58 -1.14 0.00 0.00 176.83 177.46 1yhe h VAL 132 N 0.46 0.78 -0.83 2.27 2.07 -0.69 -2.24 116.25 118.06 1yhe h VAL 132 Ca 0.03 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.56 1yhe h VAL 132 Cb 0.97 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 1yhe h VAL 132 CO 0.09 0.01 0.55 0.28 0.02 0.00 0.00 177.57 178.52 1yhe h SER 133 N 0.06 0.88 -0.38 0.57 0.02 -1.07 -1.53 113.55 112.11 1yhe h SER 133 Ca 0.14 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1yhe h SER 133 Cb 0.19 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.51 1yhe h SER 133 CO -0.24 0.60 0.20 0.74 -1.14 0.00 0.00 176.83 176.99 1yhe h THR 134 N 1.02 1.16 -0.18 -2.27 2.02 -1.12 -2.32 112.91 111.23 1yhe h THR 134 Ca 0.33 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 1yhe h THR 134 Cb 0.05 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1yhe h THR 134 CO -0.10 0.16 0.10 0.58 0.37 0.00 0.00 175.52 176.63 1yhe h VAL 135 N 0.48 1.10 0.00 3.16 2.07 -0.79 -1.44 116.25 120.83 1yhe h VAL 135 Ca 0.13 -0.28 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1yhe h VAL 135 Cb 0.09 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1yhe h VAL 135 CO -0.02 0.10 0.00 0.18 0.02 0.00 0.00 177.57 177.85 1yhe n LEU 136 N -4.91 0.36 -0.19 2.57 4.77 -0.64 -1.86 117.00 117.10 1yhe n LEU 136 Ca -0.04 0.63 0.04 0.00 -0.03 0.00 0.00 56.01 56.61 1yhe n LEU 136 Cb 0.07 -0.64 0.01 0.00 -2.33 0.00 0.00 43.42 40.53 1yhe n LEU 136 CO 0.34 -0.64 0.23 0.41 -1.33 0.00 0.00 177.39 176.40 1yhe n THR 137 N -1.95 0.00 0.27 -5.08 -1.04 -0.89 -4.49 114.28 101.10 1yhe n THR 137 Ca 0.01 -0.44 0.15 0.00 -2.04 0.00 0.00 64.05 61.73 1yhe n THR 137 Cb 0.09 1.10 0.66 0.00 -1.82 0.00 0.00 70.33 70.36 1yhe n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1yhe h SER 138 N 0.94 0.00 -0.25 8.00 4.64 -0.52 -3.06 113.55 123.30 1yhe h SER 138 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yhe h SER 138 Cb 0.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1yhe h SER 138 CO 0.00 0.07 0.00 0.29 -0.87 0.00 0.00 176.83 176.32 1yhe n LYS 139 N -3.23 2.87 0.09 4.77 5.02 -1.26 -4.68 118.16 121.74 1yhe n LYS 139 Ca -0.00 -2.84 0.02 0.00 -2.02 0.00 0.00 58.31 53.47 1yhe n LYS 139 Cb 0.32 -1.84 0.37 0.00 -0.02 0.00 0.00 35.03 33.85 1yhe n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1yhe h TYR 140 N 1.75 0.33 0.00 2.13 -1.99 -1.86 -3.47 116.97 113.86 1yhe h TYR 140 Ca 0.00 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1yhe h TYR 140 Cb 1.43 -0.09 0.00 0.00 2.00 0.00 0.00 36.73 40.07 1yhe h TYR 140 CO 0.48 0.41 0.00 2.89 -0.00 0.00 0.00 178.16 181.94