#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yih s LEU 2 N 0.00 4.22 0.71 7.52 1.43 -1.26 -5.06 118.68 126.24 1yih s LEU 2 Ca 0.00 1.26 -0.08 0.00 -1.03 0.00 0.00 54.13 54.28 1yih s LEU 2 Cb 0.00 -3.28 0.05 0.00 0.03 0.00 0.00 46.19 42.99 1yih s LEU 2 CO 0.00 -0.35 1.04 -0.94 0.23 0.00 0.00 176.35 176.33 1yih s SER 3 N 1.08 4.96 0.30 2.29 1.04 -1.26 -4.85 113.70 117.26 1yih s SER 3 Ca 0.41 0.67 -0.00 0.00 0.48 0.00 0.00 55.95 57.50 1yih s SER 3 Cb -0.17 -1.36 0.50 0.00 0.10 0.00 0.00 66.02 65.09 1yih s SER 3 CO 0.15 -1.55 1.92 -0.65 0.98 0.00 0.00 173.24 174.09 1yih h PRO 4 N -0.64 1.03 -0.36 4.02 0.11 -1.99 -0.07 132.00 134.09 1yih h PRO 4 Ca -0.45 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1yih h PRO 4 Cb 1.30 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1yih h PRO 4 CO 0.62 0.68 0.12 0.00 -0.21 0.00 0.00 178.00 179.22 1yih h ALA 5 N 1.50 0.47 -0.21 -0.75 0.00 -1.99 -1.03 119.26 117.24 1yih h ALA 5 Ca 0.38 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1yih h ALA 5 Cb 0.14 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 1yih h ALA 5 CO -0.13 0.10 -0.14 -0.44 0.00 0.00 0.00 179.25 178.64 1yih h ASP 6 N 0.44 -0.45 -0.84 0.00 3.32 -1.58 -0.66 116.42 116.65 1yih h ASP 6 Ca 0.12 0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.29 1yih h ASP 6 Cb 0.23 0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.97 1yih h ASP 6 CO -0.01 -0.18 0.55 0.11 -1.72 0.00 0.00 179.24 177.99 1yih h LYS 7 N -0.13 1.06 -0.37 3.56 1.57 -0.67 -1.31 116.57 120.28 1yih h LYS 7 Ca 0.12 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1yih h LYS 7 Cb 0.31 -0.24 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1yih h LYS 7 CO -0.29 0.70 0.23 1.15 -0.57 0.00 0.00 179.45 180.66 1yih h THR 8 N 1.09 1.12 -0.36 -0.16 2.02 -0.93 -1.73 112.91 113.96 1yih h THR 8 Ca 0.32 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.25 1yih h THR 8 Cb -0.06 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 66.96 1yih h THR 8 CO -0.09 0.12 0.24 0.78 0.37 0.00 0.00 175.52 176.93 1yih h ASN 9 N 0.48 0.42 -0.10 4.18 -0.26 -0.52 -1.99 115.58 117.80 1yih h ASN 9 Ca 0.13 -0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 55.85 1yih h ASN 9 Cb -0.01 -0.10 -0.00 0.00 -1.06 0.00 0.00 38.32 37.14 1yih h ASN 9 CO -0.03 0.31 0.05 0.58 -1.06 0.00 0.00 177.43 177.28 1yih h VAL 10 N 0.49 1.09 -0.95 2.81 2.07 -1.11 -0.25 116.25 120.39 1yih h VAL 10 Ca 0.13 -0.26 0.02 0.00 0.82 0.00 0.00 66.70 67.41 1yih h VAL 10 Cb -0.05 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1yih h VAL 10 CO -0.03 0.08 0.63 0.11 0.02 0.00 0.00 177.57 178.38 1yih h LYS 11 N 0.05 1.22 -0.07 1.57 1.57 -1.25 0.37 116.57 120.04 1yih h LYS 11 Ca 0.03 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1yih h LYS 11 Cb 0.09 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 1yih h LYS 11 CO -0.01 0.81 -0.02 0.00 -0.57 0.00 0.00 179.45 179.67 1yih h ALA 12 N 1.36 0.09 -0.14 3.86 0.00 -1.22 0.31 119.26 123.52 1yih h ALA 12 Ca 0.36 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1yih h ALA 12 Cb -0.09 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1yih h ALA 12 CO -0.09 -0.19 0.01 0.00 0.00 0.00 0.00 179.25 178.98 1yih h ALA 13 N 0.67 0.19 -0.36 0.00 0.00 -0.79 -1.67 119.26 117.30 1yih h ALA 13 Ca 0.02 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 1yih h ALA 13 Cb 0.41 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1yih h ALA 13 CO 0.01 -0.13 0.01 2.35 0.00 0.00 0.00 179.25 181.49 1yih h TRP 14 N 0.01 0.58 -0.32 0.00 2.91 -0.31 -2.35 115.95 116.46 1yih h TRP 14 Ca 0.04 -0.06 0.07 0.00 1.13 0.00 0.00 58.89 60.08 1yih h TRP 14 Cb 0.33 -0.17 -0.07 0.00 -0.51 0.00 0.00 29.16 28.74 1yih h TRP 14 CO 0.03 0.55 -0.15 0.78 -1.03 0.00 0.00 178.44 178.62 1yih h GLY 15 N 0.85 0.11 1.81 2.65 0.00 -0.06 -1.10 103.07 107.33 1yih h GLY 15 Ca 0.12 0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.61 1yih h GLY 15 CO 0.01 -0.17 -0.02 0.50 0.00 0.00 0.00 176.54 176.86 1yih h LYS 16 N -0.09 0.25 -0.63 4.80 1.79 -0.78 -2.62 116.57 119.28 1yih h LYS 16 Ca 0.17 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.63 1yih h LYS 16 Cb 0.35 -0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 30.91 1yih h LYS 16 CO -0.39 0.29 0.38 0.28 -1.08 0.00 0.00 179.45 178.94 1yih h VAL 17 N 0.25 1.05 0.00 0.50 2.07 -0.94 -3.45 116.25 115.73 1yih h VAL 17 Ca 0.06 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1yih h VAL 17 Cb 0.20 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.22 1yih h VAL 17 CO 0.01 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.34 1yih n GLY 18 N -1.28 2.81 0.00 2.17 0.00 -0.99 -1.03 105.19 106.87 1yih n GLY 18 Ca 0.06 0.28 0.10 0.00 0.00 0.00 0.00 46.02 46.46 1yih n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yih n ALA 19 N 10.91 2.24 0.87 4.61 0.00 -1.26 -3.07 120.51 134.81 1yih n ALA 19 Ca 0.00 -0.12 0.10 0.00 0.00 0.00 0.00 53.44 53.41 1yih n ALA 19 Cb 0.00 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.10 1yih n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yih n HIS 20 N -1.06 0.00 -0.31 0.00 8.25 -0.20 -4.65 115.22 117.26 1yih n HIS 20 Ca 0.14 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.62 1yih n HIS 20 Cb 0.09 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.29 1yih n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yih h ALA 21 N 3.36 0.45 -0.74 -1.41 0.00 -1.63 0.25 119.26 119.55 1yih h ALA 21 Ca 0.00 0.31 -0.05 0.00 0.00 0.00 0.00 54.91 55.17 1yih h ALA 21 Cb 0.65 0.72 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1yih h ALA 21 CO 0.00 -0.46 0.27 0.78 0.00 0.00 0.00 179.25 179.84 1yih h GLY 22 N -0.02 1.21 1.31 0.00 0.00 -1.82 0.58 103.07 104.33 1yih h GLY 22 Ca 0.39 -0.68 -0.14 0.00 0.00 0.00 0.00 47.33 46.89 1yih h GLY 22 CO -0.88 0.64 -0.35 -2.09 0.00 0.00 0.00 176.54 173.86 1yih h GLU 23 N 1.08 0.76 -0.07 4.80 4.81 -1.50 -1.72 114.58 122.74 1yih h GLU 23 Ca 0.24 -0.37 -0.17 0.00 -0.13 0.00 0.00 59.36 58.93 1yih h GLU 23 Cb 0.26 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1yih h GLU 23 CO -0.01 0.99 -0.69 1.88 -0.73 0.00 0.00 179.01 180.45 1yih h TYR 24 N 0.63 0.42 -0.55 0.92 0.99 -0.05 -2.20 116.97 117.13 1yih h TYR 24 Ca 0.06 -0.18 -0.04 0.00 2.00 0.00 0.00 58.73 60.58 1yih h TYR 24 Cb 0.89 -0.07 -0.02 0.00 1.00 0.00 0.00 36.73 38.53 1yih h TYR 24 CO 0.05 0.90 0.20 0.78 -0.00 0.00 0.00 178.16 180.09 1yih h GLY 25 N 1.43 0.89 0.95 3.88 0.00 0.28 -1.35 103.07 109.14 1yih h GLY 25 Ca -0.02 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1yih h GLY 25 CO 0.11 0.47 0.17 0.00 0.00 0.00 0.00 176.54 177.29 1yih h ALA 26 N 1.06 0.45 -0.62 3.60 0.00 -1.22 -2.44 119.26 120.09 1yih h ALA 26 Ca 0.18 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 1yih h ALA 26 Cb 0.23 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1yih h ALA 26 CO -0.01 0.01 0.21 1.49 0.00 0.00 0.00 179.25 180.95 1yih h GLU 27 N 0.43 0.95 -0.88 0.00 4.81 -1.28 -1.68 114.58 116.92 1yih h GLU 27 Ca 0.12 -0.20 -0.02 0.00 -0.13 0.00 0.00 59.36 59.13 1yih h GLU 27 Cb 0.12 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 1yih h GLU 27 CO -0.02 0.83 0.47 0.00 -0.73 0.00 0.00 179.01 179.56 1yih h ALA 28 N 1.07 1.16 -0.24 2.92 0.00 -1.15 0.15 119.26 123.18 1yih h ALA 28 Ca 0.20 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1yih h ALA 28 Cb 0.27 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1yih h ALA 28 CO -0.01 0.66 0.03 -0.07 0.00 0.00 0.00 179.25 179.86 1yih h LEU 29 N 1.24 0.39 -0.16 0.00 3.38 -1.17 -1.59 115.31 117.39 1yih h LEU 29 Ca 0.31 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1yih h LEU 29 Cb 0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1yih h LEU 29 CO -0.05 0.57 0.05 -0.08 0.09 0.00 0.00 178.44 179.02 1yih h GLU 30 N 0.20 0.12 -0.80 1.13 4.81 -0.85 0.10 114.58 119.29 1yih h GLU 30 Ca 0.07 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 1yih h GLU 30 Cb 0.35 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 1yih h GLU 30 CO 0.01 0.08 0.53 0.00 -0.73 0.00 0.00 179.01 178.89 1yih h ARG 31 N 0.13 0.88 -0.33 1.92 3.08 -0.62 -2.40 114.38 117.03 1yih h ARG 31 Ca 0.07 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 59.96 1yih h ARG 31 Cb 0.05 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 1yih h ARG 31 CO -0.08 0.58 -0.21 1.98 -1.07 0.00 0.00 179.97 181.17 1yih h MET 32 N 0.90 0.73 -0.68 0.04 4.05 -0.20 -1.30 114.93 118.48 1yih h MET 32 Ca 0.34 -0.34 -0.01 0.00 -0.28 0.00 0.00 59.70 59.41 1yih h MET 32 Cb 0.19 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 30.94 1yih h MET 32 CO -0.12 0.95 0.38 0.74 0.23 0.00 0.00 176.91 179.10 1yih h PHE 33 N 0.50 0.92 -0.04 1.39 0.04 -0.50 -0.78 116.94 118.46 1yih h PHE 33 Ca 0.07 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.78 1yih h PHE 33 Cb 0.76 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.61 1yih h PHE 33 CO 0.06 0.65 -0.11 -0.07 -0.60 0.00 0.00 178.31 178.25 1yih h LEU 34 N 0.93 0.17 -0.34 1.54 3.38 -1.44 -3.16 115.31 116.40 1yih h LEU 34 Ca 0.24 -0.59 -0.16 0.00 0.09 0.00 0.00 57.88 57.46 1yih h LEU 34 Cb 0.02 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1yih h LEU 34 CO -0.04 0.73 -0.75 0.28 0.09 0.00 0.00 178.44 178.75 1yih h SER 35 N -0.38 0.00 -2.48 -0.43 0.02 -1.24 -3.40 113.55 105.64 1yih h SER 35 Ca -0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 1yih h SER 35 Cb 0.71 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 62.87 1yih h SER 35 CO 0.02 0.75 -0.92 -0.36 -1.14 0.00 0.00 176.83 175.18 1yih s PHE 36 N -3.12 1.10 0.53 3.45 0.40 -0.30 -5.01 117.98 115.04 1yih s PHE 36 Ca 0.01 -2.18 0.42 0.00 -0.60 0.00 0.00 56.93 54.57 1yih s PHE 36 Cb 0.11 -1.01 2.23 0.00 0.51 0.00 0.00 43.02 44.86 1yih s PHE 36 CO 0.78 -0.82 2.28 -1.00 0.70 0.00 0.00 175.22 177.16 1yih h PRO 37 N 6.02 0.00 0.00 0.24 0.13 -1.73 -2.31 132.00 134.36 1yih h PRO 37 Ca 0.20 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.31 1yih h PRO 37 Cb 0.92 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 1yih h PRO 37 CO 0.36 0.00 -0.12 1.79 -0.23 0.00 0.00 178.00 179.79 1yih h THR 38 N 0.00 0.98 0.00 1.56 1.35 -1.91 -2.74 112.91 112.16 1yih h THR 38 Ca 0.00 -0.43 -0.01 0.00 -0.55 0.00 0.00 66.41 65.42 1yih h THR 38 Cb 0.06 1.24 -0.00 0.00 -1.73 0.00 0.00 68.15 67.72 1yih h THR 38 CO 0.00 0.12 -0.03 0.71 -0.25 0.00 0.00 175.52 176.07 1yih h THR 39 N 0.00 0.26 0.00 6.82 1.35 -1.73 -2.32 112.91 117.28 1yih h THR 39 Ca -0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1yih h THR 39 Cb 0.23 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1yih h THR 39 CO 0.02 0.03 0.00 0.11 -0.25 0.00 0.00 175.52 175.42 1yih h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.70 -2.94 116.57 118.23 1yih h LYS 40 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yih h LYS 40 Cb 0.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.45 1yih h LYS 40 CO 0.00 0.00 -0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1yih h THR 41 N 0.00 0.02 0.00 -0.16 1.35 -1.59 0.94 112.91 113.47 1yih h THR 41 Ca 0.00 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.77 1yih h THR 41 Cb 0.64 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1yih h THR 41 CO 0.00 0.00 -0.38 -1.22 -0.25 0.00 0.00 175.52 173.68 1yih n TYR 42 N -3.11 0.17 -2.63 4.73 4.01 -1.11 -4.26 117.16 114.97 1yih n TYR 42 Ca -0.02 0.05 -0.22 0.00 -0.16 0.00 0.00 57.90 57.55 1yih n TYR 42 Cb 0.11 -0.44 0.00 0.00 -0.31 0.00 0.00 39.34 38.71 1yih n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1yih n PHE 43 N -1.67 2.68 0.27 -0.72 3.01 0.32 -4.85 117.46 116.49 1yih n PHE 43 Ca 0.05 -3.18 0.15 0.00 1.01 0.00 0.00 57.45 55.49 1yih n PHE 43 Cb 0.36 -0.23 0.67 0.00 -0.01 0.00 0.00 39.48 40.27 1yih n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1yih h PRO 44 N 2.77 0.00 -0.07 -1.08 0.13 -1.73 -2.34 132.00 129.68 1yih h PRO 44 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1yih h PRO 44 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 1yih h PRO 44 CO 0.73 0.07 0.00 -2.39 -0.23 0.00 0.00 178.00 176.18 1yih n HIS 45 N -3.23 0.08 -4.00 1.56 1.44 -1.26 -4.90 115.22 104.90 1yih n HIS 45 Ca -0.00 -0.04 -0.30 0.00 -2.01 0.00 0.00 57.72 55.37 1yih n HIS 45 Cb 0.32 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.37 1yih n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1yih s PHE 46 N -1.92 3.32 -0.41 -1.40 0.40 -0.88 -5.06 117.98 112.02 1yih s PHE 46 Ca 0.36 0.13 -0.26 0.00 -0.60 0.00 0.00 56.93 56.56 1yih s PHE 46 Cb 0.20 -1.66 0.02 0.00 0.51 0.00 0.00 43.02 42.09 1yih s PHE 46 CO 0.31 0.54 0.96 0.34 0.70 0.00 0.00 175.22 178.07 1yih s ASP 47 N -2.56 6.62 -0.02 1.36 2.15 -1.26 -4.86 116.67 118.10 1yih s ASP 47 Ca 0.32 0.42 0.20 0.00 0.43 0.00 0.00 52.55 53.92 1yih s ASP 47 Cb -0.12 -2.47 0.61 0.00 -0.30 0.00 0.00 42.92 40.64 1yih s ASP 47 CO 0.25 -0.98 1.52 0.18 -0.17 0.00 0.00 175.17 175.96 1yih n LEU 48 N 7.06 3.96 -4.74 -1.34 4.77 -1.26 -4.49 117.00 120.95 1yih n LEU 48 Ca 0.08 -2.08 -0.32 0.00 -0.03 0.00 0.00 56.01 53.65 1yih n LEU 48 Cb 0.48 -0.47 0.09 0.00 -2.33 0.00 0.00 43.42 41.19 1yih n LEU 48 CO 0.62 0.93 0.73 -0.94 -1.33 0.00 0.00 177.39 177.40 1yih s SER 49 N -1.00 4.30 0.16 -1.43 1.04 -1.26 -4.90 113.70 110.60 1yih s SER 49 Ca 0.46 2.09 -0.33 0.00 0.48 0.00 0.00 55.95 58.65 1yih s SER 49 Cb 0.25 -2.56 -0.13 0.00 0.10 0.00 0.00 66.02 63.68 1yih s SER 49 CO 0.30 -2.18 1.65 1.57 0.98 0.00 0.00 173.24 175.56 1yih n HIS 50 N -3.12 2.43 -1.08 5.02 -0.00 -1.26 -1.74 115.22 115.47 1yih n HIS 50 Ca 0.11 0.16 -0.03 0.00 0.46 0.00 0.00 57.72 58.42 1yih n HIS 50 Cb 0.52 -2.60 -0.01 0.00 -0.12 0.00 0.00 29.99 27.78 1yih n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yih n GLY 51 N 3.68 0.61 3.75 1.57 0.00 -1.26 -4.99 105.19 108.55 1yih n GLY 51 Ca 0.17 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.11 1yih n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1yih s SER 52 N -2.71 6.65 0.37 1.61 0.15 -0.71 -4.88 113.70 114.17 1yih s SER 52 Ca 0.00 2.70 0.12 0.00 0.70 0.00 0.00 55.95 59.47 1yih s SER 52 Cb 0.00 -2.63 0.70 0.00 -1.71 0.00 0.00 66.02 62.38 1yih s SER 52 CO 0.00 -0.68 1.82 0.00 1.20 0.00 0.00 173.24 175.58 1yih h ALA 53 N 4.54 1.37 -0.49 5.45 0.00 -1.90 -1.04 119.26 127.20 1yih h ALA 53 Ca -0.47 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.09 1yih h ALA 53 Cb 1.22 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 1yih h ALA 53 CO 0.74 0.47 0.25 0.37 0.00 0.00 0.00 179.25 181.08 1yih h GLN 54 N 0.03 0.70 -0.44 0.00 4.15 -1.90 1.25 115.11 118.90 1yih h GLN 54 Ca 0.00 -0.10 -0.14 0.00 0.77 0.00 0.00 58.65 59.18 1yih h GLN 54 Cb 0.66 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.21 1yih h GLN 54 CO 0.05 0.57 -0.29 0.28 -1.93 0.00 0.00 178.83 177.51 1yih h VAL 55 N 0.65 1.27 -0.16 2.39 2.07 -1.68 0.25 116.25 121.03 1yih h VAL 55 Ca 0.17 -1.46 -0.02 0.00 0.82 0.00 0.00 66.70 66.21 1yih h VAL 55 Cb 0.10 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 1yih h VAL 55 CO -0.02 0.50 0.03 0.11 0.02 0.00 0.00 177.57 178.21 1yih h LYS 56 N 0.82 0.26 -0.73 1.57 1.79 -0.59 0.10 116.57 119.81 1yih h LYS 56 Ca 0.09 -0.07 0.08 0.00 -2.18 0.00 0.00 60.65 58.57 1yih h LYS 56 Cb 0.88 -0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 31.43 1yih h LYS 56 CO 0.08 0.42 0.39 0.78 -1.08 0.00 0.00 179.45 180.05 1yih h GLY 57 N 0.06 1.09 1.25 3.86 0.00 0.17 -2.25 103.07 107.25 1yih h GLY 57 Ca 0.05 -0.26 -0.23 0.00 0.00 0.00 0.00 47.33 46.89 1yih h GLY 57 CO 0.00 0.12 -0.82 0.84 0.00 0.00 0.00 176.54 176.69 1yih h HIS 58 N 0.69 0.99 -0.74 5.60 -0.00 -0.22 -2.93 115.15 118.55 1yih h HIS 58 Ca 0.34 -0.46 0.08 0.00 -0.00 0.00 0.00 60.37 60.33 1yih h HIS 58 Cb 0.29 -0.15 -0.05 0.00 -0.00 0.00 0.00 27.41 27.50 1yih h HIS 58 CO -0.08 1.28 0.49 0.78 -0.00 0.00 0.00 177.93 180.39 1yih h GLY 59 N 0.65 0.97 0.92 5.26 0.00 -0.55 -0.65 103.07 109.68 1yih h GLY 59 Ca -0.06 -0.30 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 1yih h GLY 59 CO 0.16 0.20 -0.38 1.70 0.00 0.00 0.00 176.54 178.23 1yih h LYS 60 N 0.73 0.61 -0.46 4.80 3.64 -1.35 -1.20 116.57 123.33 1yih h LYS 60 Ca 0.33 -0.39 -0.03 0.00 -1.27 0.00 0.00 60.65 59.29 1yih h LYS 60 Cb 0.34 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1yih h LYS 60 CO -0.11 1.00 0.16 0.87 -2.27 0.00 0.00 179.45 179.10 1yih h LYS 61 N 0.29 0.67 -0.16 1.90 1.57 -1.17 0.09 116.57 119.75 1yih h LYS 61 Ca 0.01 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.65 1yih h LYS 61 Cb 0.97 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.16 1yih h LYS 61 CO 0.08 0.57 -0.07 0.28 -0.57 0.00 0.00 179.45 179.74 1yih h VAL 62 N 0.66 1.31 -0.61 0.50 2.07 -0.98 -2.59 116.25 116.61 1yih h VAL 62 Ca 0.16 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.60 1yih h VAL 62 Cb 0.17 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1yih h VAL 62 CO -0.01 0.33 0.36 0.00 0.02 0.00 0.00 177.57 178.27 1yih h ALA 63 N 0.67 0.80 -0.88 1.67 0.00 -0.94 -1.94 119.26 118.64 1yih h ALA 63 Ca 0.03 -0.01 0.03 0.00 0.00 0.00 0.00 54.91 54.97 1yih h ALA 63 Cb 0.54 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1yih h ALA 63 CO 0.02 0.09 0.58 -0.44 0.00 0.00 0.00 179.25 179.50 1yih h ASP 64 N 0.71 0.95 -0.35 0.00 3.32 -0.89 0.21 116.42 120.37 1yih h ASP 64 Ca 0.25 -0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.15 1yih h ASP 64 Cb 0.06 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.38 1yih h ASP 64 CO -0.12 0.66 -0.32 0.00 -1.72 0.00 0.00 179.24 177.74 1yih h ALA 65 N 1.48 0.69 -0.33 3.45 0.00 -1.05 0.75 119.26 124.25 1yih h ALA 65 Ca 0.35 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1yih h ALA 65 Cb 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1yih h ALA 65 CO -0.10 0.67 -0.39 -0.07 0.00 0.00 0.00 179.25 179.35 1yih h LEU 66 N 0.74 0.86 -1.13 0.00 3.38 -0.56 -1.31 115.31 117.30 1yih h LEU 66 Ca 0.08 -0.39 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 1yih h LEU 66 Cb 0.89 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 1yih h LEU 66 CO 0.08 1.14 0.42 0.74 0.09 0.00 0.00 178.44 180.92 1yih h THR 67 N 0.66 1.22 -0.52 0.22 2.02 -0.41 -1.45 112.91 114.64 1yih h THR 67 Ca 0.05 -0.52 -0.08 0.00 0.77 0.00 0.00 66.41 66.64 1yih h THR 67 Cb 0.95 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1yih h THR 67 CO 0.09 0.24 0.02 -1.13 0.37 0.00 0.00 175.52 175.11 1yih h ASN 68 N 1.04 0.89 -0.68 4.18 -1.24 -0.44 -2.56 115.58 116.77 1yih h ASN 68 Ca 0.27 -0.30 -0.04 0.00 0.71 0.00 0.00 56.30 56.94 1yih h ASN 68 Cb 0.00 -0.24 -0.03 0.00 0.73 0.00 0.00 38.32 38.78 1yih h ASN 68 CO -0.05 0.96 0.28 0.00 -1.29 0.00 0.00 177.43 177.33 1yih h ALA 69 N 0.95 1.17 -0.48 1.57 0.00 -0.69 -2.19 119.26 119.59 1yih h ALA 69 Ca 0.15 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1yih h ALA 69 Cb 0.50 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1yih h ALA 69 CO 0.02 0.60 0.22 0.28 0.00 0.00 0.00 179.25 180.37 1yih h VAL 70 N 1.01 1.20 -0.44 0.00 2.07 -1.19 -0.48 116.25 118.43 1yih h VAL 70 Ca 0.23 -0.58 0.05 0.00 0.82 0.00 0.00 66.70 67.22 1yih h VAL 70 Cb 0.20 0.69 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 1yih h VAL 70 CO -0.02 0.22 0.29 0.00 0.02 0.00 0.00 177.57 178.09 1yih h ALA 71 N 1.06 1.94 -0.53 1.67 0.00 -1.16 -2.76 119.26 119.48 1yih h ALA 71 Ca 0.16 -0.02 -0.39 0.00 0.00 0.00 0.00 54.91 54.67 1yih h ALA 71 Cb 0.15 -0.09 -0.32 0.00 0.00 0.00 0.00 17.79 17.52 1yih h ALA 71 CO -0.02 -0.01 -0.77 0.72 0.00 0.00 0.00 179.25 179.17 1yih n HIS 72 N -4.48 1.94 -0.11 0.00 8.25 -0.85 -4.87 115.22 115.10 1yih n HIS 72 Ca 0.05 -2.00 0.27 0.00 -0.26 0.00 0.00 57.72 55.78 1yih n HIS 72 Cb 0.23 -0.31 0.71 0.00 1.12 0.00 0.00 29.99 31.74 1yih n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1yih h VAL 73 N 2.22 0.38 -0.15 1.59 3.04 -0.78 0.46 116.25 123.02 1yih h VAL 73 Ca 0.24 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.93 1yih h VAL 73 Cb 1.40 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 1yih h VAL 73 CO 0.53 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.56 1yih n ASP 74 N -3.90 2.08 -2.76 3.17 8.00 -1.26 -4.26 116.55 117.62 1yih n ASP 74 Ca 0.16 -1.74 -0.02 0.00 0.71 0.00 0.00 54.79 53.91 1yih n ASP 74 Cb 0.96 -0.09 0.08 0.00 -0.02 0.00 0.00 41.12 42.06 1yih n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1yih n ASP 75 N 0.60 0.25 -0.30 -2.24 2.03 0.16 -4.98 116.55 112.08 1yih n ASP 75 Ca 0.17 -2.16 0.04 0.00 0.52 0.00 0.00 54.79 53.36 1yih n ASP 75 Cb 0.42 0.03 0.19 0.00 -0.72 0.00 0.00 41.12 41.03 1yih n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1yih h MET 76 N 2.00 0.75 -0.83 -0.67 2.86 -1.63 0.93 114.93 118.35 1yih h MET 76 Ca -0.26 -0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.44 1yih h MET 76 Cb 1.28 -0.17 -0.08 0.00 0.06 0.00 0.00 31.60 32.69 1yih h MET 76 CO 0.05 0.50 0.46 -1.35 1.06 0.00 0.00 176.91 177.63 1yih h PRO 77 N 0.78 0.72 0.20 -0.22 0.11 -1.93 -0.81 132.00 130.84 1yih h PRO 77 Ca 0.42 -0.04 -0.28 0.00 0.11 0.00 0.00 66.00 66.21 1yih h PRO 77 Cb 0.44 -0.16 0.03 0.00 0.11 0.00 0.00 31.00 31.42 1yih h PRO 77 CO -0.27 0.48 -1.24 -0.91 -0.21 0.00 0.00 178.00 175.84 1yih h ASN 78 N 0.74 0.66 0.28 -2.05 2.35 -1.83 -2.58 115.58 113.14 1yih h ASN 78 Ca 0.42 -0.93 -0.02 0.00 -0.55 0.00 0.00 56.30 55.21 1yih h ASN 78 Cb 0.45 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 1yih h ASN 78 CO -0.28 1.59 -0.10 0.00 -1.65 0.00 0.00 177.43 176.99 1yih h ALA 79 N 0.11 1.37 -0.38 -0.83 0.00 -0.51 -2.85 119.26 116.16 1yih h ALA 79 Ca -0.22 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1yih h ALA 79 Cb 1.94 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.71 1yih h ALA 79 CO 0.21 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.86 1yih n LEU 80 N -3.74 3.03 -0.39 0.00 4.77 -0.34 -4.77 117.00 115.56 1yih n LEU 80 Ca -0.02 -1.91 -0.02 0.00 -0.03 0.00 0.00 56.01 54.03 1yih n LEU 80 Cb 0.21 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.07 1yih n LEU 80 CO 0.30 0.75 0.57 -1.20 -1.33 0.00 0.00 177.39 176.48 1yih n SER 81 N 0.73 -0.69 -0.21 -1.43 7.64 -0.97 -1.29 113.62 117.39 1yih n SER 81 Ca 0.13 1.74 -0.05 0.00 1.01 0.00 0.00 58.87 61.71 1yih n SER 81 Cb 0.45 -0.38 0.05 0.00 -1.01 0.00 0.00 64.21 63.32 1yih n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yih h ALA 82 N 1.28 0.78 -0.06 -0.43 0.00 -1.86 -0.59 119.26 118.38 1yih h ALA 82 Ca 0.33 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.08 1yih h ALA 82 Cb 0.57 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1yih h ALA 82 CO -0.98 0.13 -0.59 1.25 0.00 0.00 0.00 179.25 179.06 1yih h LEU 83 N 0.75 0.21 -0.41 0.00 5.85 -1.66 -1.92 115.31 118.13 1yih h LEU 83 Ca 0.24 -0.12 -0.10 0.00 0.84 0.00 0.00 57.88 58.74 1yih h LEU 83 Cb -0.01 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1yih h LEU 83 CO -0.09 0.75 -0.15 -1.28 -0.34 0.00 0.00 178.44 177.33 1yih h SER 84 N 0.14 0.84 -0.28 1.25 0.87 -0.49 -1.56 113.55 114.31 1yih h SER 84 Ca -0.00 -0.39 -0.05 0.00 -1.23 0.00 0.00 61.79 60.12 1yih h SER 84 Cb 1.07 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.79 1yih h SER 84 CO 0.09 1.04 -0.02 0.44 -0.53 0.00 0.00 176.83 177.84 1yih h ASP 85 N 0.63 0.51 -0.11 6.23 3.32 -1.03 -1.18 116.42 124.79 1yih h ASP 85 Ca 0.10 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 56.84 1yih h ASP 85 Cb 0.70 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1yih h ASP 85 CO 0.05 0.72 -0.03 0.25 -1.72 0.00 0.00 179.24 178.51 1yih h LEU 86 N 0.29 -0.10 -0.70 1.55 5.85 -1.32 0.20 115.31 121.08 1yih h LEU 86 Ca 0.08 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.73 1yih h LEU 86 Cb 0.47 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1yih h LEU 86 CO 0.02 -0.04 -0.12 0.45 -0.34 0.00 0.00 178.44 178.41 1yih h HIS 87 N 0.00 0.97 0.07 1.25 3.86 -1.23 0.29 115.15 120.36 1yih h HIS 87 Ca 0.05 -0.19 -0.27 0.00 -1.16 0.00 0.00 60.37 58.80 1yih h HIS 87 Cb 0.08 -0.24 0.03 0.00 1.06 0.00 0.00 27.41 28.33 1yih h HIS 87 CO -0.16 0.94 -1.10 0.00 0.86 0.00 0.00 177.93 178.47 1yih h ALA 88 N 1.07 0.03 0.00 2.45 0.00 -1.08 0.34 119.26 122.07 1yih h ALA 88 Ca 0.13 -0.73 -0.31 0.00 0.00 0.00 0.00 54.91 54.00 1yih h ALA 88 Cb 0.64 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 1yih h ALA 88 CO 0.04 0.63 -2.17 0.72 0.00 0.00 0.00 179.25 178.48 1yih n HIS 89 N -3.87 0.00 -0.09 0.00 8.25 0.70 -4.30 115.22 115.91 1yih n HIS 89 Ca -0.13 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.25 1yih n HIS 89 Cb 0.92 -0.83 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 1yih n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1yih n LYS 90 N -2.74 0.51 -0.09 -0.41 4.81 -0.32 -4.72 118.16 115.20 1yih n LYS 90 Ca -0.30 0.25 -0.13 0.00 -0.87 0.00 0.00 58.31 57.26 1yih n LYS 90 Cb 1.01 -1.45 -0.04 0.00 0.02 0.00 0.00 35.03 34.57 1yih n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1yih h LEU 91 N -0.98 0.76 -2.18 3.14 3.38 -1.14 -3.48 115.31 114.82 1yih h LEU 91 Ca 0.00 -0.48 -0.42 0.00 0.09 0.00 0.00 57.88 57.07 1yih h LEU 91 Cb 0.91 -0.21 0.06 0.00 0.09 0.00 0.00 40.66 41.50 1yih h LEU 91 CO 0.00 1.09 -0.87 0.54 0.09 0.00 0.00 178.44 179.29 1yih n ARG 92 N -4.25 -3.62 -2.58 1.13 1.74 0.12 -4.92 116.66 104.28 1yih n ARG 92 Ca -0.04 0.57 -0.42 0.00 -0.77 0.00 0.00 57.85 57.19 1yih n ARG 92 Cb 0.49 -4.90 -0.03 0.00 -1.02 0.00 0.00 32.46 26.99 1yih n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1yih s VAL 93 N -3.64 4.54 0.25 1.55 1.01 -1.19 -4.98 120.40 117.94 1yih s VAL 93 Ca 0.15 1.83 -0.31 0.00 0.00 0.00 0.00 61.98 63.64 1yih s VAL 93 Cb -0.04 -4.17 -0.12 0.00 0.00 0.00 0.00 36.38 32.04 1yih s VAL 93 CO 0.83 0.03 1.61 -0.67 0.00 0.00 0.00 175.10 176.89 1yih n ASP 94 N 4.89 3.72 -0.12 3.32 2.03 -1.26 -4.86 116.55 124.28 1yih n ASP 94 Ca 0.09 1.12 0.27 0.00 0.52 0.00 0.00 54.79 56.79 1yih n ASP 94 Cb 0.48 -1.56 0.72 0.00 -0.72 0.00 0.00 41.12 40.04 1yih n ASP 94 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1yih h PRO 95 N 5.36 0.00 0.00 -0.67 0.11 -2.00 -2.10 132.00 132.70 1yih h PRO 95 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1yih h PRO 95 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1yih h PRO 95 CO 0.84 0.00 -0.14 -0.39 -0.21 0.00 0.00 178.00 178.10 1yih h VAL 96 N 0.00 0.89 0.00 3.15 -1.51 -2.03 -2.66 116.25 114.08 1yih h VAL 96 Ca 0.38 -0.53 -0.03 0.00 -1.23 0.00 0.00 66.70 65.29 1yih h VAL 96 Cb 1.66 1.30 -0.00 0.00 -2.13 0.00 0.00 31.29 32.12 1yih h VAL 96 CO -0.00 0.14 -0.15 0.78 -1.23 0.00 0.00 177.57 177.11 1yih h ASN 97 N 0.00 0.00 -0.82 4.19 4.21 -1.75 -2.77 115.58 118.64 1yih h ASN 97 Ca -0.00 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 1yih h ASN 97 Cb 0.29 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.45 1yih h ASN 97 CO 0.02 0.15 0.40 -0.26 -1.29 0.00 0.00 177.43 176.45 1yih h PHE 98 N 0.00 1.18 -0.16 1.19 0.04 -1.67 -1.93 116.94 115.59 1yih h PHE 98 Ca -0.00 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.64 1yih h PHE 98 Cb 0.38 -0.37 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1yih h PHE 98 CO 0.00 0.85 -0.22 1.57 -0.60 0.00 0.00 178.31 179.91 1yih h LYS 99 N 1.17 0.29 -0.18 1.51 2.10 -1.66 -0.22 116.57 119.57 1yih h LYS 99 Ca 0.28 -0.09 -0.16 0.00 -2.00 0.00 0.00 60.65 58.68 1yih h LYS 99 Cb 0.11 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 1yih h LYS 99 CO -0.04 0.50 -0.52 -0.07 -2.00 0.00 0.00 179.45 177.32 1yih h LEU 100 N 0.26 0.78 -0.32 7.07 3.38 -1.42 -0.63 115.31 124.43 1yih h LEU 100 Ca 0.04 -0.58 -0.16 0.00 0.09 0.00 0.00 57.88 57.28 1yih h LEU 100 Cb 0.54 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1yih h LEU 100 CO 0.04 1.22 -0.41 0.25 0.09 0.00 0.00 178.44 179.63 1yih h LEU 101 N 0.37 0.91 -0.21 1.67 5.85 -1.25 -2.04 115.31 120.60 1yih h LEU 101 Ca -0.01 -0.49 0.05 0.00 0.84 0.00 0.00 57.88 58.26 1yih h LEU 101 Cb 1.14 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.87 1yih h LEU 101 CO 0.11 1.23 -0.08 0.28 -0.34 0.00 0.00 178.44 179.64 1yih h SER 102 N 0.62 -0.26 -0.54 1.25 0.02 -0.94 0.11 113.55 113.81 1yih h SER 102 Ca 0.04 0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.13 1yih h SER 102 Cb 1.00 0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.65 1yih h SER 102 CO 0.10 -0.10 0.24 -0.74 -1.14 0.00 0.00 176.83 175.18 1yih h HIS 103 N -0.04 0.42 0.00 3.45 -0.00 -1.08 -1.56 115.15 116.35 1yih h HIS 103 Ca 0.11 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.45 1yih h HIS 103 Cb 0.20 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 1yih h HIS 103 CO -0.24 0.17 -0.24 0.00 -0.00 0.00 0.00 177.93 177.62 1yih h LEU 105 N 0.00 0.94 -0.35 0.00 5.85 -0.29 -2.13 115.31 119.33 1yih h LEU 105 Ca -0.00 -0.55 -0.02 0.00 0.84 0.00 0.00 57.88 58.15 1yih h LEU 105 Cb 0.47 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1yih h LEU 105 CO 0.03 1.32 0.13 -0.07 -0.34 0.00 0.00 178.44 179.51 1yih h LEU 106 N 0.61 0.49 -0.77 2.25 3.38 -0.97 -1.14 115.31 119.15 1yih h LEU 106 Ca 0.00 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1yih h LEU 106 Cb 1.18 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 1yih h LEU 106 CO 0.12 0.53 0.51 0.58 0.09 0.00 0.00 178.44 180.28 1yih h VAL 107 N 0.42 1.20 -0.05 1.22 2.07 -1.41 0.23 116.25 119.92 1yih h VAL 107 Ca 0.12 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1yih h VAL 107 Cb 0.20 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1yih h VAL 107 CO -0.01 0.19 0.03 0.74 0.02 0.00 0.00 177.57 178.54 1yih h THR 108 N 1.05 1.08 -0.13 2.57 2.02 -1.04 -0.46 112.91 117.99 1yih h THR 108 Ca 0.28 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1yih h THR 108 Cb -0.12 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 1yih h THR 108 CO -0.06 0.07 0.08 -0.07 0.37 0.00 0.00 175.52 175.91 1yih h LEU 109 N -0.01 0.16 -0.68 2.58 3.38 -0.98 -2.01 115.31 117.75 1yih h LEU 109 Ca 0.02 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1yih h LEU 109 Cb 0.09 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1yih h LEU 109 CO -0.00 0.14 0.34 0.00 0.09 0.00 0.00 178.44 179.00 1yih h ALA 110 N 1.03 0.92 0.00 1.53 0.00 -0.35 0.23 119.26 122.61 1yih h ALA 110 Ca 0.05 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1yih h ALA 110 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 1yih h ALA 110 CO -0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 179.25 179.19 1yih h ALA 111 N 1.39 1.01 0.00 0.00 0.00 -0.72 -3.30 119.26 117.64 1yih h ALA 111 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1yih h ALA 111 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1yih h ALA 111 CO -0.24 0.02 -1.09 0.72 0.00 0.00 0.00 179.25 178.66 1yih n HIS 112 N -3.13 0.00 -3.24 0.00 8.25 -0.25 -4.84 115.22 112.01 1yih n HIS 112 Ca -0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.20 1yih n HIS 112 Cb 0.27 -0.13 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 1yih n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1yih n LEU 113 N -1.61 2.84 -0.14 2.41 4.77 0.63 -4.96 117.00 120.94 1yih n LEU 113 Ca -0.01 -5.29 -0.04 0.00 -0.03 0.00 0.00 56.01 50.64 1yih n LEU 113 Cb 0.18 -0.22 0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1yih n LEU 113 CO 0.16 2.15 0.96 1.55 -1.33 0.00 0.00 177.39 180.88 1yih h PRO 114 N 3.76 0.32 -0.37 3.23 0.13 -1.82 0.51 132.00 137.76 1yih h PRO 114 Ca 0.15 -0.02 -0.15 0.00 -0.87 0.00 0.00 66.00 65.11 1yih h PRO 114 Cb 0.71 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.75 1yih h PRO 114 CO 0.72 0.21 -0.36 0.00 -0.23 0.00 0.00 178.00 178.35 1yih h ALA 115 N 1.29 0.66 0.16 -0.56 0.00 -1.94 -3.30 119.26 115.56 1yih h ALA 115 Ca 0.21 -0.44 -0.29 0.00 0.00 0.00 0.00 54.91 54.39 1yih h ALA 115 Cb 0.20 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1yih h ALA 115 CO -0.21 0.67 -1.29 0.93 0.00 0.00 0.00 179.25 179.35 1yih h GLU 116 N 0.72 0.35 -3.64 0.00 4.39 -1.84 -3.39 114.58 111.15 1yih h GLU 116 Ca 0.07 -0.58 -0.23 0.00 0.34 0.00 0.00 59.36 58.95 1yih h GLU 116 Cb 0.93 0.21 0.01 0.00 -0.10 0.00 0.00 28.75 29.80 1yih h GLU 116 CO 0.09 1.27 2.00 0.34 -1.16 0.00 0.00 179.01 181.55 1yih n PHE 117 N -3.59 0.85 -1.89 4.33 7.35 0.17 -4.75 117.46 119.93 1yih n PHE 117 Ca -0.10 -1.41 -0.30 0.00 -0.76 0.00 0.00 57.45 54.87 1yih n PHE 117 Cb 1.04 -1.27 0.04 0.00 0.35 0.00 0.00 39.48 39.64 1yih n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yih s THR 118 N 4.00 3.80 0.24 -2.13 -4.23 -1.26 -4.78 115.64 111.27 1yih s THR 118 Ca 0.25 0.57 -0.04 0.00 -1.18 0.00 0.00 61.69 61.29 1yih s THR 118 Cb 0.06 -3.58 0.21 0.00 1.34 0.00 0.00 72.50 70.54 1yih s THR 118 CO -0.02 -0.76 1.74 -0.65 -0.54 0.00 0.00 174.62 174.39 1yih h PRO 119 N -0.56 0.48 -0.56 3.99 0.11 -1.98 0.22 132.00 133.70 1yih h PRO 119 Ca -0.45 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1yih h PRO 119 Cb 1.24 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1yih h PRO 119 CO 0.63 0.32 -0.05 0.00 -0.21 0.00 0.00 178.00 178.69 1yih h ALA 120 N 1.53 0.85 -0.18 -0.75 0.00 -1.95 -1.59 119.26 117.16 1yih h ALA 120 Ca 0.41 -0.32 -0.17 0.00 0.00 0.00 0.00 54.91 54.82 1yih h ALA 120 Cb 0.59 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1yih h ALA 120 CO -0.37 0.66 -0.57 0.28 0.00 0.00 0.00 179.25 179.25 1yih h VAL 121 N 0.91 1.31 -0.68 0.00 2.07 -1.68 -2.26 116.25 115.93 1yih h VAL 121 Ca 0.15 -1.80 0.06 0.00 0.82 0.00 0.00 66.70 65.94 1yih h VAL 121 Cb 0.60 1.93 -0.06 0.00 -1.52 0.00 0.00 31.29 32.24 1yih h VAL 121 CO 0.04 0.56 0.37 -0.74 0.02 0.00 0.00 177.57 177.82 1yih h HIS 122 N 0.41 0.68 -0.58 1.57 6.17 -0.54 0.75 115.15 123.60 1yih h HIS 122 Ca -0.02 0.03 -0.10 0.00 0.71 0.00 0.00 60.37 60.99 1yih h HIS 122 Cb 1.19 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 30.89 1yih h HIS 122 CO 0.09 0.31 -0.03 0.00 0.71 0.00 0.00 177.93 179.01 1yih h ALA 123 N 1.36 0.84 -0.36 5.26 0.00 -1.16 -2.26 119.26 122.94 1yih h ALA 123 Ca 0.31 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 1yih h ALA 123 Cb 0.22 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1yih h ALA 123 CO -0.20 0.67 -0.22 0.77 0.00 0.00 0.00 179.25 180.27 1yih h SER 124 N 0.95 0.81 -0.22 0.00 0.02 -0.85 -2.41 113.55 111.85 1yih h SER 124 Ca 0.16 -0.42 -0.06 0.00 -0.84 0.00 0.00 61.79 60.63 1yih h SER 124 Cb 0.59 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.89 1yih h SER 124 CO 0.04 1.06 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.66 1yih h LEU 125 N 0.56 0.53 -0.05 5.07 3.38 -0.85 -0.60 115.31 123.36 1yih h LEU 125 Ca 0.07 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 1yih h LEU 125 Cb 0.77 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 1yih h LEU 125 CO 0.06 0.64 -0.04 -0.78 0.09 0.00 0.00 178.44 178.41 1yih h ASP 126 N 0.52 0.12 -0.83 -0.43 3.58 -1.29 -1.49 116.42 116.60 1yih h ASP 126 Ca 0.10 -0.46 0.01 0.00 0.42 0.00 0.00 57.03 57.10 1yih h ASP 126 Cb 0.42 -0.03 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 1yih h ASP 126 CO 0.02 0.55 0.55 0.11 -2.88 0.00 0.00 179.24 177.59 1yih h LYS 127 N -0.32 1.09 0.31 0.28 1.57 -1.30 -0.01 116.57 118.19 1yih h LYS 127 Ca 0.01 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1yih h LYS 127 Cb 0.52 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1yih h LYS 127 CO 0.01 0.72 -0.20 0.35 -0.57 0.00 0.00 179.45 179.76 1yih h PHE 128 N 1.12 -0.52 -0.39 -1.35 3.57 -1.04 -0.97 116.94 117.36 1yih h PHE 128 Ca 0.30 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.77 1yih h PHE 128 Cb -0.13 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 1yih h PHE 128 CO -0.01 -0.31 0.13 -0.07 -2.23 0.00 0.00 178.31 175.82 1yih h LEU 129 N -0.49 0.51 -0.86 0.59 3.38 -0.96 -0.20 115.31 117.27 1yih h LEU 129 Ca -0.03 -0.06 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1yih h LEU 129 Cb 0.41 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 1yih h LEU 129 CO 0.02 0.49 -0.18 0.00 0.09 0.00 0.00 178.44 178.86 1yih h ALA 130 N 1.59 1.04 -0.30 1.53 0.00 -0.70 -1.54 119.26 120.88 1yih h ALA 130 Ca 0.13 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1yih h ALA 130 Cb 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1yih h ALA 130 CO -0.01 0.58 -0.17 0.77 0.00 0.00 0.00 179.25 180.42 1yih h SER 131 N 0.57 0.67 -0.68 0.00 0.02 0.30 -1.99 113.55 112.44 1yih h SER 131 Ca 0.09 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.59 1yih h SER 131 Cb 0.64 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.96 1yih h SER 131 CO 0.04 0.94 0.31 0.58 -1.14 0.00 0.00 176.83 177.57 1yih h VAL 132 N 0.39 1.23 -0.57 2.27 2.07 -1.13 -1.91 116.25 118.59 1yih h VAL 132 Ca 0.06 -0.67 -0.03 0.00 0.82 0.00 0.00 66.70 66.88 1yih h VAL 132 Cb 0.71 0.41 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 1yih h VAL 132 CO 0.05 0.27 0.23 0.28 0.02 0.00 0.00 177.57 178.43 1yih h SER 133 N 0.95 0.79 -0.24 0.57 0.02 -1.19 -2.29 113.55 112.16 1yih h SER 133 Ca 0.23 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 61.05 1yih h SER 133 Cb 0.14 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1yih h SER 133 CO -0.03 0.74 0.06 0.74 -1.14 0.00 0.00 176.83 177.20 1yih h THR 134 N 0.79 0.91 -0.00 -2.27 2.02 -1.15 -2.41 112.91 110.80 1yih h THR 134 Ca 0.19 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1yih h THR 134 Cb 0.19 0.73 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1yih h THR 134 CO -0.02 0.03 0.00 0.58 0.37 0.00 0.00 175.52 176.49 1yih h VAL 135 N 0.16 1.01 0.00 3.16 2.07 -1.20 -1.88 116.25 119.57 1yih h VAL 135 Ca 0.11 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1yih h VAL 135 Cb 0.09 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1yih h VAL 135 CO -0.13 0.01 0.00 0.18 0.02 0.00 0.00 177.57 177.65 1yih n LEU 136 N -5.08 0.29 -0.19 2.57 4.77 -0.88 -2.00 117.00 116.49 1yih n LEU 136 Ca -0.07 0.61 0.02 0.00 -0.03 0.00 0.00 56.01 56.54 1yih n LEU 136 Cb 0.04 -0.61 0.02 0.00 -2.33 0.00 0.00 43.42 40.53 1yih n LEU 136 CO 0.33 -0.59 0.32 0.41 -1.33 0.00 0.00 177.39 176.53 1yih n THR 137 N -1.86 0.00 0.19 -5.08 -1.04 -0.92 -4.46 114.28 101.10 1yih n THR 137 Ca 0.01 -0.50 0.03 0.00 -2.04 0.00 0.00 64.05 61.55 1yih n THR 137 Cb 0.09 1.10 0.37 0.00 -1.82 0.00 0.00 70.33 70.07 1yih n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1yih h SER 138 N 0.92 0.00 -0.68 8.00 4.64 -0.71 -3.19 113.55 122.54 1yih h SER 138 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 1yih h SER 138 Cb 0.20 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.19 1yih h SER 138 CO 0.00 0.36 0.20 0.29 -0.87 0.00 0.00 176.83 176.81 1yih n LYS 139 N -4.07 3.90 -0.10 4.77 5.02 -1.26 -4.62 118.16 121.80 1yih n LYS 139 Ca -0.02 -3.11 -0.07 0.00 -2.02 0.00 0.00 58.31 53.10 1yih n LYS 139 Cb 0.40 -2.21 0.10 0.00 -0.02 0.00 0.00 35.03 33.31 1yih n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1yih h TYR 140 N 2.87 0.89 0.00 2.13 0.99 -1.89 -3.46 116.97 118.50 1yih h TYR 140 Ca 0.20 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.75 1yih h TYR 140 Cb 2.22 -0.22 0.00 0.00 1.00 0.00 0.00 36.73 39.73 1yih h TYR 140 CO 1.22 0.89 0.00 2.89 -0.00 0.00 0.00 178.16 183.16