#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 4.33 0.61 6.55 1.43 -1.26 -5.03 118.68 125.31 1yih s LEU 2 Ca 0.00 2.07 -0.07 0.00 -1.03 0.00 0.00 54.13 55.10 1yih s LEU 2 Cb 0.00 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.65 1yih s LEU 2 CO 0.00 -0.62 0.94 -0.94 0.23 0.00 0.00 176.35 175.96 1yih s SER 3 N 1.44 5.66 0.37 2.29 1.04 -1.26 -4.90 113.70 118.35 1yih s SER 3 Ca 0.61 0.86 0.04 0.00 0.48 0.00 0.00 55.95 57.94 1yih s SER 3 Cb -0.31 -1.85 0.71 0.00 0.10 0.00 0.00 66.02 64.67 1yih s SER 3 CO 0.27 -1.06 2.02 -0.65 0.98 0.00 0.00 173.24 174.80 1yih h PRO 4 N -0.24 0.71 -0.41 4.02 0.11 -1.99 -0.12 132.00 134.09 1yih h PRO 4 Ca -0.45 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 1yih h PRO 4 Cb 1.25 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1yih h PRO 4 CO 0.61 0.49 -0.17 0.00 -0.21 0.00 0.00 178.00 178.72 1yih h ALA 5 N 1.64 0.93 -0.08 -0.75 0.00 -1.99 0.46 119.26 119.47 1yih h ALA 5 Ca 0.19 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1yih h ALA 5 Cb -0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1yih h ALA 5 CO -0.04 0.62 0.04 -0.44 0.00 0.00 0.00 179.25 179.43 1yih h ASP 6 N 0.69 0.11 -0.94 0.00 3.32 -1.72 0.14 116.42 118.02 1yih h ASP 6 Ca 0.10 -0.14 0.04 0.00 0.02 0.00 0.00 57.03 57.05 1yih h ASP 6 Cb 0.67 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.14 1yih h ASP 6 CO 0.05 0.22 0.61 0.11 -1.72 0.00 0.00 179.24 178.51 1yih h LYS 7 N -0.01 1.13 -0.02 3.56 1.57 -0.77 0.20 116.57 122.23 1yih h LYS 7 Ca 0.03 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1yih h LYS 7 Cb 0.14 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.20 1yih h LYS 7 CO -0.00 0.75 0.00 1.15 -0.57 0.00 0.00 179.45 180.78 1yih h THR 8 N 1.17 1.18 -0.40 -0.16 2.02 -0.62 -1.58 112.91 114.52 1yih h THR 8 Ca 0.38 -0.54 0.07 0.00 0.77 0.00 0.00 66.41 67.10 1yih h THR 8 Cb 0.04 1.51 -0.07 0.00 -1.74 0.00 0.00 68.15 67.90 1yih h THR 8 CO -0.13 0.14 -0.01 0.78 0.37 0.00 0.00 175.52 176.66 1yih h ASN 9 N -0.19 -0.19 -0.03 4.18 2.35 0.00 0.16 115.58 121.86 1yih h ASN 9 Ca 0.01 0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1yih h ASN 9 Cb 0.23 0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.77 1yih h ASN 9 CO 0.00 -0.06 0.01 0.58 -1.65 0.00 0.00 177.43 176.31 1yih h VAL 10 N 0.09 1.11 -0.83 2.81 2.07 -0.59 -0.61 116.25 120.30 1yih h VAL 10 Ca 0.19 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.43 1yih h VAL 10 Cb 0.28 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1yih h VAL 10 CO -0.34 0.09 0.53 0.11 0.02 0.00 0.00 177.57 177.98 1yih h LYS 11 N -0.09 1.02 0.65 1.57 1.57 -0.92 0.16 116.57 120.53 1yih h LYS 11 Ca 0.01 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1yih h LYS 11 Cb 0.13 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 32.22 1yih h LYS 11 CO -0.00 0.67 -0.31 0.00 -0.57 0.00 0.00 179.45 179.24 1yih h ALA 12 N 1.34 -0.87 -0.31 3.86 0.00 -0.85 0.13 119.26 122.56 1yih h ALA 12 Ca 0.33 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.06 1yih h ALA 12 Cb -0.01 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1yih h ALA 12 CO -0.11 -0.97 0.16 0.00 0.00 0.00 0.00 179.25 178.34 1yih h ALA 13 N -0.57 0.38 -0.20 0.00 0.00 -0.82 -2.52 119.26 115.53 1yih h ALA 13 Ca -0.09 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 1yih h ALA 13 Cb 0.68 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1yih h ALA 13 CO 0.15 -0.22 -0.25 2.35 0.00 0.00 0.00 179.25 181.28 1yih h TRP 14 N 0.33 0.40 -1.00 0.00 2.91 -0.69 -2.67 115.95 115.23 1yih h TRP 14 Ca 0.13 -0.08 0.06 0.00 1.13 0.00 0.00 58.89 60.13 1yih h TRP 14 Cb 0.04 -0.10 -0.07 0.00 -0.51 0.00 0.00 29.16 28.52 1yih h TRP 14 CO -0.09 0.59 0.65 0.78 -1.03 0.00 0.00 178.44 179.33 1yih h GLY 15 N 1.00 1.52 1.84 2.65 0.00 -0.31 -1.85 103.07 107.91 1yih h GLY 15 Ca 0.05 -0.48 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 1yih h GLY 15 CO 0.04 0.34 -0.38 0.50 0.00 0.00 0.00 176.54 177.04 1yih h LYS 16 N 1.18 0.18 0.02 4.80 1.79 -1.19 -3.16 116.57 120.19 1yih h LYS 16 Ca 0.43 -0.08 0.03 0.00 -2.18 0.00 0.00 60.65 58.85 1yih h LYS 16 Cb 0.16 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.77 1yih h LYS 16 CO -0.17 0.54 -0.21 0.28 -1.08 0.00 0.00 179.45 178.81 1yih h VAL 17 N 0.15 0.50 0.00 0.50 2.07 -1.16 -3.46 116.25 114.85 1yih h VAL 17 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1yih h VAL 17 Cb 0.75 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1yih h VAL 17 CO 0.06 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.26 1yih n GLY 18 N -1.34 3.00 0.00 2.17 0.00 -1.20 -2.02 105.19 105.80 1yih n GLY 18 Ca -0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 9.36 1.13 1.11 4.61 0.00 -1.26 -1.90 120.51 133.57 1yih n ALA 19 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1yih n ALA 19 Cb 0.00 -0.97 0.21 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.31 0.00 -0.32 0.00 -0.00 -0.86 -4.57 115.22 108.16 1yih n HIS 20 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.74 1yih n HIS 20 Cb 0.01 -0.11 0.09 0.00 -0.00 0.00 0.00 29.99 29.98 1yih n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1yih h ALA 21 N 3.52 0.42 -0.83 -1.41 0.00 -1.51 -1.50 119.26 117.95 1yih h ALA 21 Ca 0.00 0.31 0.03 0.00 0.00 0.00 0.00 54.91 55.25 1yih h ALA 21 Cb 0.56 0.76 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1yih h ALA 21 CO 0.00 -0.48 0.54 0.78 0.00 0.00 0.00 179.25 180.09 1yih h GLY 22 N -0.02 1.20 1.11 0.00 0.00 -1.84 0.18 103.07 103.70 1yih h GLY 22 Ca 0.39 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 47.17 1yih h GLY 22 CO -0.91 0.36 -0.22 0.83 0.00 0.00 0.00 176.54 176.61 1yih h GLU 23 N 1.06 0.99 -0.30 4.80 5.08 -1.63 -1.13 114.58 123.45 1yih h GLU 23 Ca 0.33 -0.43 -0.14 0.00 -1.00 0.00 0.00 59.36 58.12 1yih h GLU 23 Cb -0.02 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1yih h GLU 23 CO -0.10 1.11 -0.37 1.88 -1.00 0.00 0.00 179.01 180.52 1yih h TYR 24 N 0.85 0.82 0.39 4.33 0.05 -0.99 0.03 116.97 122.44 1yih h TYR 24 Ca 0.11 -0.23 -0.02 0.00 0.05 0.00 0.00 58.73 58.64 1yih h TYR 24 Cb 0.80 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.37 1yih h TYR 24 CO 0.05 0.96 -0.19 0.78 -1.05 0.00 0.00 178.16 178.72 1yih h GLY 25 N 0.97 -0.55 1.07 3.88 0.00 -0.42 -1.04 103.07 106.98 1yih h GLY 25 Ca 0.05 0.20 0.01 0.00 0.00 0.00 0.00 47.33 47.60 1yih h GLY 25 CO 0.08 -0.20 0.62 0.00 0.00 0.00 0.00 176.54 177.04 1yih h ALA 26 N 0.01 1.34 -0.52 3.60 0.00 -1.12 -2.14 119.26 120.43 1yih h ALA 26 Ca -0.05 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 1yih h ALA 26 Cb 0.44 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1yih h ALA 26 CO 0.09 0.60 0.04 1.49 0.00 0.00 0.00 179.25 181.47 1yih h GLU 27 N 1.25 0.89 -0.55 0.00 4.81 -0.82 -1.49 114.58 118.68 1yih h GLU 27 Ca 0.35 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1yih h GLU 27 Cb -0.13 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 1yih h GLU 27 CO -0.08 0.90 0.34 0.00 -0.73 0.00 0.00 179.01 179.44 1yih h ALA 28 N 0.96 0.70 0.21 2.92 0.00 -1.01 0.08 119.26 123.12 1yih h ALA 28 Ca 0.15 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1yih h ALA 28 Cb 0.47 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1yih h ALA 28 CO 0.02 0.17 -0.11 -0.07 0.00 0.00 0.00 179.25 179.26 1yih h LEU 29 N 0.74 -0.26 -0.76 0.00 3.38 -1.22 -2.07 115.31 115.12 1yih h LEU 29 Ca 0.20 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.29 1yih h LEU 29 Cb -0.03 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 1yih h LEU 29 CO -0.04 -0.18 0.38 -0.08 0.09 0.00 0.00 178.44 178.61 1yih h GLU 30 N -0.29 0.59 -0.36 1.13 4.81 -1.05 -0.89 114.58 118.52 1yih h GLU 30 Ca -0.03 -0.04 -0.09 0.00 -0.13 0.00 0.00 59.36 59.08 1yih h GLU 30 Cb 0.23 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1yih h GLU 30 CO 0.04 0.39 -0.14 0.00 -0.73 0.00 0.00 179.01 178.57 1yih h ARG 31 N 0.61 0.64 -0.17 1.92 3.08 -0.76 -2.63 114.38 117.06 1yih h ARG 31 Ca 0.39 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 1yih h ARG 31 Cb 0.46 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.45 1yih h ARG 31 CO -0.30 0.75 -0.12 1.98 -1.07 0.00 0.00 179.97 181.21 1yih h MET 32 N 0.58 0.39 -0.81 0.04 4.05 -0.64 0.13 114.93 118.67 1yih h MET 32 Ca 0.10 -0.19 0.04 0.00 -0.28 0.00 0.00 59.70 59.38 1yih h MET 32 Cb 0.57 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.32 1yih h MET 32 CO 0.04 0.73 0.51 0.74 0.23 0.00 0.00 176.91 179.15 1yih h PHE 33 N 0.05 0.95 -0.07 1.39 0.04 -1.16 0.51 116.94 118.64 1yih h PHE 33 Ca 0.03 0.03 -0.12 0.00 2.80 0.00 0.00 57.97 60.71 1yih h PHE 33 Cb 0.63 -0.31 0.01 0.00 2.20 0.00 0.00 35.95 38.48 1yih h PHE 33 CO 0.07 0.52 -0.44 -0.07 -0.60 0.00 0.00 178.31 177.80 1yih h LEU 34 N 0.97 0.51 0.09 1.54 3.38 -1.46 -3.21 115.31 117.12 1yih h LEU 34 Ca 0.34 -0.66 -0.26 0.00 0.09 0.00 0.00 57.88 57.39 1yih h LEU 34 Cb 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1yih h LEU 34 CO -0.14 1.09 -1.20 0.28 0.09 0.00 0.00 178.44 178.56 1yih h SER 35 N -0.04 0.29 -2.85 -0.43 0.02 -0.75 -3.39 113.55 106.40 1yih h SER 35 Ca -0.03 -0.32 -0.61 0.00 -0.84 0.00 0.00 61.79 59.99 1yih h SER 35 Cb 1.10 -0.09 -0.40 0.00 0.14 0.00 0.00 62.40 63.14 1yih h SER 35 CO 0.09 1.25 -0.74 -0.36 -1.14 0.00 0.00 176.83 175.93 1yih s PHE 36 N -2.67 2.49 0.62 3.45 0.40 0.18 -4.99 117.98 117.46 1yih s PHE 36 Ca -0.03 -2.88 0.33 0.00 -0.60 0.00 0.00 56.93 53.75 1yih s PHE 36 Cb 0.08 -1.95 1.89 0.00 0.51 0.00 0.00 43.02 43.54 1yih s PHE 36 CO 0.86 -0.67 2.17 -1.00 0.70 0.00 0.00 175.22 177.28 1yih h PRO 37 N 5.59 0.00 0.00 0.24 0.14 -1.72 -1.33 132.00 134.91 1yih h PRO 37 Ca 0.18 0.00 -0.00 0.00 0.14 0.00 0.00 66.00 66.32 1yih h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 31.97 1yih h PRO 37 CO 0.57 0.00 -0.01 1.79 0.14 0.00 0.00 178.00 180.49 1yih h THR 38 N 0.00 0.68 0.00 1.56 1.35 -1.91 -1.75 112.91 112.84 1yih h THR 38 Ca 0.04 -0.04 -0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1yih h THR 38 Cb 0.32 1.02 -0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1yih h THR 38 CO -0.00 0.01 -0.01 0.71 -0.25 0.00 0.00 175.52 175.98 1yih h THR 39 N 0.00 0.04 0.00 6.82 1.35 -1.55 -2.45 112.91 117.12 1yih h THR 39 Ca -0.00 -0.36 -0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1yih h THR 39 Cb 0.02 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1yih h THR 39 CO 0.00 0.01 -0.01 0.11 -0.25 0.00 0.00 175.52 175.38 1yih h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.49 -3.00 116.57 118.37 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 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1yih h LYS 40 CO 0.00 0.01 0.00 1.79 -0.57 0.00 0.00 179.45 180.68 1yih h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.61 -0.79 112.91 111.69 1yih h THR 41 Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 1yih h THR 41 Cb 0.51 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 1yih h THR 41 CO 0.00 0.00 -0.29 -1.22 -0.25 0.00 0.00 175.52 173.77 1yih n TYR 42 N -2.88 0.00 -2.45 4.73 4.01 -1.13 -4.27 117.16 115.16 1yih n TYR 42 Ca -0.03 0.00 -0.14 0.00 -0.16 0.00 0.00 57.90 57.57 1yih n TYR 42 Cb 0.07 -0.23 0.03 0.00 -0.31 0.00 0.00 39.34 38.90 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 -1.14 2.13 0.22 -0.72 3.01 -0.30 -4.90 117.46 115.77 1yih n PHE 43 Ca 0.10 -2.41 0.17 0.00 1.01 0.00 0.00 57.45 56.31 1yih n PHE 43 Cb 0.33 -0.27 0.84 0.00 -0.01 0.00 0.00 39.48 40.37 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 2.50 0.00 -0.01 -1.08 0.13 -1.74 -0.30 132.00 131.50 1yih h PRO 44 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1yih h PRO 44 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1yih h PRO 44 CO 0.54 0.00 -0.04 -2.39 -0.23 0.00 0.00 178.00 175.88 1yih n HIS 45 N -3.82 0.00 -3.99 1.56 1.44 -1.26 -4.90 115.22 104.25 1yih n HIS 45 Ca 0.01 0.00 -0.22 0.00 -2.01 0.00 0.00 57.72 55.49 1yih n HIS 45 Cb 0.28 -0.04 -0.03 0.00 0.12 0.00 0.00 29.99 30.32 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 -2.12 3.40 -0.44 -1.40 2.99 -0.12 -5.06 117.98 115.23 1yih s PHE 46 Ca 0.37 -0.00 -0.21 0.00 0.00 0.00 0.00 56.93 57.09 1yih s PHE 46 Cb 0.21 -1.57 0.02 0.00 0.00 0.00 0.00 43.02 41.69 1yih s PHE 46 CO 0.38 0.47 0.68 0.34 -0.00 0.00 0.00 175.22 177.09 1yih s ASP 47 N -3.78 6.35 0.00 1.36 2.15 -1.26 -4.91 116.67 116.58 1yih s ASP 47 Ca 0.34 -0.26 0.19 0.00 0.43 0.00 0.00 52.55 53.24 1yih s ASP 47 Cb -0.09 -2.34 0.57 0.00 -0.30 0.00 0.00 42.92 40.76 1yih s ASP 47 CO 0.28 -0.81 1.45 0.18 -0.17 0.00 0.00 175.17 176.10 1yih n LEU 48 N 6.38 2.18 -4.75 -1.34 4.77 -1.26 -4.44 117.00 118.53 1yih n LEU 48 Ca -0.01 -0.98 -0.33 0.00 -0.03 0.00 0.00 56.01 54.66 1yih n LEU 48 Cb 0.48 -0.19 0.07 0.00 -2.33 0.00 0.00 43.42 41.45 1yih n LEU 48 CO 0.55 0.49 0.76 -0.94 -1.33 0.00 0.00 177.39 176.92 1yih s SER 49 N -1.37 4.73 0.26 -1.43 1.04 -1.26 -4.92 113.70 110.74 1yih s SER 49 Ca 0.32 2.13 -0.31 0.00 0.48 0.00 0.00 55.95 58.57 1yih s SER 49 Cb 0.18 -2.56 -0.13 0.00 0.10 0.00 0.00 66.02 63.60 1yih s SER 49 CO 0.25 -1.89 1.46 1.57 0.98 0.00 0.00 173.24 175.61 1yih n HIS 50 N -2.58 2.39 -1.41 5.02 -0.00 -1.26 -1.61 115.22 115.77 1yih n HIS 50 Ca 0.11 0.38 -0.10 0.00 0.46 0.00 0.00 57.72 58.58 1yih n HIS 50 Cb 0.51 -2.50 -0.04 0.00 -0.12 0.00 0.00 29.99 27.84 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 2.11 0.98 3.77 1.57 0.00 -1.26 -4.99 105.19 107.37 1yih n GLY 51 Ca 0.10 -0.57 -0.40 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.85 6.33 0.31 1.61 0.15 -0.63 -4.89 113.70 113.73 1yih s SER 52 Ca 0.00 2.88 0.04 0.00 0.70 0.00 0.00 55.95 59.57 1yih s SER 52 Cb 0.00 -2.66 0.52 0.00 -1.71 0.00 0.00 66.02 62.17 1yih s SER 52 CO 0.00 -0.86 1.80 0.00 1.20 0.00 0.00 173.24 175.37 1yih h ALA 53 N 2.88 1.24 -0.39 5.45 0.00 -1.91 -0.13 119.26 126.40 1yih h ALA 53 Ca -0.50 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.09 1yih h ALA 53 Cb 1.24 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1yih h ALA 53 CO 0.63 0.49 0.11 1.96 0.00 0.00 0.00 179.25 182.44 1yih h GLN 54 N 0.43 0.61 -0.40 0.00 4.20 -1.90 0.15 115.11 118.20 1yih h GLN 54 Ca 0.08 -0.14 -0.09 0.00 0.06 0.00 0.00 58.65 58.55 1yih h GLN 54 Cb 0.52 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1yih h GLN 54 CO 0.03 0.63 -0.14 0.28 -0.67 0.00 0.00 178.83 178.97 1yih h VAL 55 N 0.48 1.26 -0.39 -0.54 2.07 -1.69 -0.81 116.25 116.63 1yih h VAL 55 Ca 0.12 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1yih h VAL 55 Cb 0.29 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 1yih h VAL 55 CO -0.00 0.40 0.15 0.11 0.02 0.00 0.00 177.57 178.25 1yih h LYS 56 N 0.66 0.59 0.26 1.57 1.57 -0.50 0.32 116.57 121.03 1yih h LYS 56 Ca 0.11 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1yih h LYS 56 Cb 0.61 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1yih h LYS 56 CO 0.04 0.57 -0.12 0.78 -0.57 0.00 0.00 179.45 180.14 1yih h GLY 57 N 0.48 -0.36 1.36 3.86 0.00 -0.57 -2.44 103.07 105.41 1yih h GLY 57 Ca 0.13 0.13 0.03 0.00 0.00 0.00 0.00 47.33 47.62 1yih h GLY 57 CO -0.01 -0.13 0.37 0.84 0.00 0.00 0.00 176.54 177.61 1yih h HIS 58 N -0.47 0.63 -0.62 5.60 -0.00 -1.06 -0.70 115.15 118.52 1yih h HIS 58 Ca -0.04 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.39 1yih h HIS 58 Cb 0.36 -0.21 -0.05 0.00 -0.00 0.00 0.00 27.41 27.51 1yih h HIS 58 CO -0.02 0.38 0.36 0.78 -0.00 0.00 0.00 177.93 179.42 1yih h GLY 59 N 0.66 0.90 0.93 5.26 0.00 -0.66 -2.10 103.07 108.06 1yih h GLY 59 Ca 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 1yih h GLY 59 CO -0.06 0.19 0.14 1.70 0.00 0.00 0.00 176.54 178.51 1yih h LYS 60 N 0.69 0.55 -0.44 4.80 3.64 -0.67 -1.94 116.57 123.19 1yih h LYS 60 Ca 0.26 -0.10 0.03 0.00 -1.27 0.00 0.00 60.65 59.58 1yih h LYS 60 Cb 0.10 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1yih h LYS 60 CO -0.14 0.53 0.23 0.87 -2.27 0.00 0.00 179.45 178.67 1yih h LYS 61 N 0.44 0.44 -0.25 1.90 1.57 -0.77 -0.02 116.57 119.89 1yih h LYS 61 Ca 0.12 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1yih h LYS 61 Cb 0.20 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1yih h LYS 61 CO -0.01 0.29 0.04 0.28 -0.57 0.00 0.00 179.45 179.48 1yih h VAL 62 N 0.46 1.23 -0.70 0.50 2.07 -1.38 -1.80 116.25 116.63 1yih h VAL 62 Ca 0.19 -0.78 0.02 0.00 0.82 0.00 0.00 66.70 66.94 1yih h VAL 62 Cb 0.08 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1yih h VAL 62 CO -0.12 0.25 0.45 0.00 0.02 0.00 0.00 177.57 178.17 1yih h ALA 63 N 0.85 0.91 -0.58 1.67 0.00 -1.08 -0.77 119.26 120.26 1yih h ALA 63 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1yih h ALA 63 Cb 0.34 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1yih h ALA 63 CO 0.01 0.26 0.27 -0.44 0.00 0.00 0.00 179.25 179.35 1yih h ASP 64 N 0.91 0.77 -0.52 0.00 5.19 -0.93 -0.86 116.42 120.98 1yih h ASP 64 Ca 0.27 -0.14 -0.07 0.00 -0.62 0.00 0.00 57.03 56.48 1yih h ASP 64 Cb -0.04 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.25 1yih h ASP 64 CO -0.08 0.69 0.09 0.00 -3.12 0.00 0.00 179.24 176.81 1yih h ALA 65 N 1.11 1.09 -0.68 3.45 0.00 -0.90 -1.60 119.26 121.73 1yih h ALA 65 Ca 0.20 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1yih h ALA 65 Cb 0.13 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 1yih h ALA 65 CO -0.02 0.59 0.26 -0.07 0.00 0.00 0.00 179.25 180.01 1yih h LEU 66 N 0.86 0.94 -0.61 0.00 3.38 -0.62 -0.30 115.31 118.96 1yih h LEU 66 Ca 0.18 -0.18 0.06 0.00 0.09 0.00 0.00 57.88 58.02 1yih h LEU 66 Cb 0.39 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1yih h LEU 66 CO 0.01 0.86 0.32 0.74 0.09 0.00 0.00 178.44 180.47 1yih h THR 67 N 0.96 0.95 -0.21 0.22 2.02 -0.64 -0.30 112.91 115.91 1yih h THR 67 Ca 0.22 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 67.10 1yih h THR 67 Cb 0.22 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 1yih h THR 67 CO -0.02 0.11 -0.30 -1.13 0.37 0.00 0.00 175.52 174.55 1yih h ASN 68 N 0.61 0.43 -0.28 4.18 -1.24 -1.04 -2.14 115.58 116.09 1yih h ASN 68 Ca 0.27 -0.16 -0.13 0.00 0.71 0.00 0.00 56.30 57.00 1yih h ASN 68 Cb 0.18 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1yih h ASN 68 CO -0.18 0.72 -0.28 0.00 -1.29 0.00 0.00 177.43 176.40 1yih h ALA 69 N 1.31 0.80 -0.33 1.57 0.00 0.31 -2.37 119.26 120.56 1yih h ALA 69 Ca 0.05 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1yih h ALA 69 Cb 0.72 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1yih h ALA 69 CO 0.05 0.65 0.14 0.28 0.00 0.00 0.00 179.25 180.37 1yih h VAL 70 N 0.67 1.18 -0.29 0.00 2.07 -0.87 -0.65 116.25 118.36 1yih h VAL 70 Ca 0.08 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 1yih h VAL 70 Cb 0.81 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1yih h VAL 70 CO 0.07 0.19 0.16 0.00 0.02 0.00 0.00 177.57 178.01 1yih h ALA 71 N 0.98 1.74 -0.96 1.67 0.00 -1.25 -2.71 119.26 118.74 1yih h ALA 71 Ca 0.11 -0.04 -0.58 0.00 0.00 0.00 0.00 54.91 54.40 1yih h ALA 71 Cb 0.17 -0.12 -0.41 0.00 0.00 0.00 0.00 17.79 17.43 1yih h ALA 71 CO -0.01 0.22 -0.59 0.72 0.00 0.00 0.00 179.25 179.60 1yih n HIS 72 N -4.46 2.96 0.29 0.00 8.25 -0.90 -4.77 115.22 116.58 1yih n HIS 72 Ca 0.01 -2.50 0.17 0.00 -0.26 0.00 0.00 57.72 55.14 1yih n HIS 72 Cb 0.09 -0.41 0.90 0.00 1.12 0.00 0.00 29.99 31.70 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 2.16 0.30 0.00 1.59 3.04 -0.77 1.00 116.25 123.56 1yih h VAL 73 Ca 0.38 -0.29 -0.03 0.00 -1.01 0.00 0.00 66.70 65.76 1yih h VAL 73 Cb 1.28 1.21 -0.00 0.00 -2.01 0.00 0.00 31.29 31.77 1yih h VAL 73 CO 0.88 0.05 -0.13 0.44 -1.01 0.00 0.00 177.57 177.80 1yih h ASP 74 N 0.00 0.00 -0.76 3.17 3.32 -1.86 -3.36 116.42 116.93 1yih h ASP 74 Ca -0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 1yih h ASP 74 Cb 0.21 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.36 1yih h ASP 74 CO 0.01 0.13 -1.15 -0.67 -1.72 0.00 0.00 179.24 175.83 1yih n ASP 75 N -3.16 1.58 -0.13 6.45 2.03 0.25 -4.97 116.55 118.61 1yih n ASP 75 Ca 0.03 -2.44 -0.04 0.00 0.52 0.00 0.00 54.79 52.86 1yih n ASP 75 Cb 0.52 -0.51 0.03 0.00 -0.72 0.00 0.00 41.12 40.45 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 2.82 0.09 -0.78 -0.67 2.86 -1.46 0.35 114.93 118.14 1yih h MET 76 Ca -0.11 -0.01 0.18 0.00 -2.06 0.00 0.00 59.70 57.71 1yih h MET 76 Cb 1.22 -0.02 -0.13 0.00 0.06 0.00 0.00 31.60 32.73 1yih h MET 76 CO 0.37 0.06 0.11 -1.35 1.06 0.00 0.00 176.91 177.16 1yih h PRO 77 N 0.09 0.17 0.19 -0.22 0.11 -1.93 0.54 132.00 130.95 1yih h PRO 77 Ca 0.21 -0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.99 1yih h PRO 77 Cb 0.31 -0.04 0.02 0.00 0.11 0.00 0.00 31.00 31.40 1yih h PRO 77 CO -0.37 0.11 -1.47 -0.91 -0.21 0.00 0.00 178.00 175.15 1yih h ASN 78 N 0.17 0.64 -0.10 -2.05 4.21 -1.80 -2.74 115.58 113.91 1yih h ASN 78 Ca 0.45 -0.74 -0.02 0.00 1.21 0.00 0.00 56.30 57.20 1yih h ASN 78 Cb 0.81 -0.21 -0.01 0.00 -1.12 0.00 0.00 38.32 37.80 1yih h ASN 78 CO -0.62 1.59 0.03 0.00 -1.29 0.00 0.00 177.43 177.14 1yih h ALA 79 N 0.31 1.76 -0.38 -0.83 0.00 0.18 -3.24 119.26 117.05 1yih h ALA 79 Ca -0.24 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1yih h ALA 79 Cb 2.09 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1yih h ALA 79 CO 0.23 0.19 0.00 1.28 0.00 0.00 0.00 179.25 180.95 1yih n LEU 80 N -4.43 3.61 -0.08 0.00 4.77 0.17 -4.79 117.00 116.24 1yih n LEU 80 Ca -0.01 -2.43 -0.07 0.00 -0.03 0.00 0.00 56.01 53.47 1yih n LEU 80 Cb 0.14 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.82 1yih n LEU 80 CO 0.36 0.73 0.69 0.77 -1.33 0.00 0.00 177.39 178.61 1yih h SER 81 N 2.36 -0.79 -0.86 -1.43 4.64 -1.51 -0.84 113.55 115.11 1yih h SER 81 Ca 0.00 0.15 0.05 0.00 -0.47 0.00 0.00 61.79 61.52 1yih h SER 81 Cb 1.11 0.39 -0.06 0.00 -0.31 0.00 0.00 62.40 63.53 1yih h SER 81 CO 0.12 -0.27 0.54 0.00 -0.87 0.00 0.00 176.83 176.35 1yih h ALA 82 N 0.90 1.16 -0.27 5.18 0.00 -1.87 -1.20 119.26 123.17 1yih h ALA 82 Ca 0.16 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1yih h ALA 82 Cb 0.46 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1yih h ALA 82 CO -0.44 0.33 -0.29 1.25 0.00 0.00 0.00 179.25 180.10 1yih h LEU 83 N 1.01 0.55 -0.70 0.00 5.85 -1.73 -0.36 115.31 119.93 1yih h LEU 83 Ca 0.36 -0.20 -0.10 0.00 0.84 0.00 0.00 57.88 58.78 1yih h LEU 83 Cb 0.10 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1yih h LEU 83 CO -0.15 0.82 -0.06 0.28 -0.34 0.00 0.00 178.44 178.98 1yih h SER 84 N 0.47 0.92 0.17 1.25 0.02 -0.53 -2.16 113.55 113.69 1yih h SER 84 Ca 0.06 -0.27 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 1yih h SER 84 Cb 0.74 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1yih h SER 84 CO 0.06 1.02 -0.08 0.44 -1.14 0.00 0.00 176.83 177.12 1yih h ASP 85 N 0.85 -0.20 -0.12 3.07 3.32 -1.00 -1.66 116.42 120.68 1yih h ASP 85 Ca 0.14 -0.25 0.05 0.00 0.02 0.00 0.00 57.03 56.99 1yih h ASP 85 Cb 0.59 0.05 -0.06 0.00 0.22 0.00 0.00 39.33 40.13 1yih h ASP 85 CO 0.04 0.16 -0.33 0.25 -1.72 0.00 0.00 179.24 177.64 1yih h LEU 86 N -0.58 -1.01 -0.49 1.55 5.85 -1.03 0.38 115.31 119.98 1yih h LEU 86 Ca -0.02 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1yih h LEU 86 Cb 0.44 0.43 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1yih h LEU 86 CO 0.04 -0.37 0.13 0.45 -0.34 0.00 0.00 178.44 178.35 1yih h HIS 87 N -0.41 0.82 -0.13 1.25 3.86 -1.48 0.31 115.15 119.38 1yih h HIS 87 Ca 0.09 -0.09 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 1yih h HIS 87 Cb 0.55 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 28.79 1yih h HIS 87 CO -0.40 0.73 -0.21 0.00 0.86 0.00 0.00 177.93 178.91 1yih h ALA 88 N 1.00 0.20 0.00 2.45 0.00 -1.08 0.59 119.26 122.42 1yih h ALA 88 Ca 0.16 -0.37 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 1yih h ALA 88 Cb 0.32 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 1yih h ALA 88 CO 0.00 0.15 -1.98 0.72 0.00 0.00 0.00 179.25 178.13 1yih n HIS 89 N -4.50 0.00 -0.03 0.00 8.25 0.13 -4.34 115.22 114.74 1yih n HIS 89 Ca -0.07 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.37 1yih n HIS 89 Cb 0.41 -0.67 -0.01 0.00 1.12 0.00 0.00 29.99 30.85 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 -2.45 0.17 -0.13 -0.41 4.81 0.75 -4.75 118.16 116.15 1yih n LYS 90 Ca -0.20 0.14 -0.12 0.00 -0.87 0.00 0.00 58.31 57.26 1yih n LYS 90 Cb 0.86 -0.88 -0.02 0.00 0.02 0.00 0.00 35.03 35.01 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 -0.34 0.79 -1.71 3.14 3.38 -0.70 -3.48 115.31 116.39 1yih h LEU 91 Ca 0.00 -0.39 -0.43 0.00 0.09 0.00 0.00 57.88 57.16 1yih h LEU 91 Cb 0.30 -0.22 0.04 0.00 0.09 0.00 0.00 40.66 40.88 1yih h LEU 91 CO 0.00 1.00 -0.83 0.54 0.09 0.00 0.00 178.44 179.24 1yih n ARG 92 N -4.31 -4.92 -2.38 1.13 1.74 0.21 -4.93 116.66 103.19 1yih n ARG 92 Ca -0.02 0.61 -0.42 0.00 -0.77 0.00 0.00 57.85 57.26 1yih n ARG 92 Cb 0.39 -5.19 -0.03 0.00 -1.02 0.00 0.00 32.46 26.61 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 -3.65 3.80 0.31 1.55 1.01 -1.21 -4.97 120.40 117.24 1yih s VAL 93 Ca 0.06 1.36 -0.30 0.00 0.00 0.00 0.00 61.98 63.10 1yih s VAL 93 Cb -0.03 -3.87 -0.12 0.00 0.00 0.00 0.00 36.38 32.36 1yih s VAL 93 CO 0.82 0.14 1.56 -0.67 0.00 0.00 0.00 175.10 176.95 1yih n ASP 94 N 3.46 3.77 -0.15 3.32 2.03 -1.26 -4.85 116.55 122.88 1yih n ASP 94 Ca 0.08 1.16 0.28 0.00 0.52 0.00 0.00 54.79 56.83 1yih n ASP 94 Cb 0.45 -1.59 0.72 0.00 -0.72 0.00 0.00 41.12 39.99 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 4.41 0.00 0.00 -0.67 0.11 -1.99 -1.71 132.00 132.15 1yih h PRO 95 Ca -0.47 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1yih h PRO 95 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1yih h PRO 95 CO 0.76 0.00 -0.15 0.28 -0.21 0.00 0.00 178.00 178.68 1yih h VAL 96 N 0.00 0.99 0.00 3.15 2.07 -2.03 -2.52 116.25 117.91 1yih h VAL 96 Ca 0.40 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 1yih h VAL 96 Cb 1.69 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1yih h VAL 96 CO -0.00 0.15 -0.08 0.78 0.02 0.00 0.00 177.57 178.43 1yih h ASN 97 N 0.00 0.00 -0.76 0.57 4.21 -1.67 -2.80 115.58 115.13 1yih h ASN 97 Ca -0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1yih h ASN 97 Cb 0.28 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.45 1yih h ASN 97 CO 0.02 0.08 0.43 -0.26 -1.29 0.00 0.00 177.43 176.41 1yih h PHE 98 N 0.00 1.03 -0.29 1.19 0.04 -1.63 -1.80 116.94 115.47 1yih h PHE 98 Ca -0.00 -0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.71 1yih h PHE 98 Cb 0.16 -0.33 -0.02 0.00 2.20 0.00 0.00 35.95 37.96 1yih h PHE 98 CO 0.00 0.72 0.01 0.87 -0.60 0.00 0.00 178.31 179.31 1yih h LYS 99 N 1.05 0.44 -0.13 1.51 1.57 -1.67 -1.26 116.57 118.08 1yih h LYS 99 Ca 0.27 -0.08 -0.16 0.00 -1.87 0.00 0.00 60.65 58.81 1yih h LYS 99 Cb 0.02 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.26 1yih h LYS 99 CO -0.05 0.46 -0.53 -0.07 -0.57 0.00 0.00 179.45 178.69 1yih h LEU 100 N 0.43 0.69 -0.49 2.94 3.38 -1.37 -2.02 115.31 118.86 1yih h LEU 100 Ca 0.10 -0.62 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 1yih h LEU 100 Cb 0.27 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1yih h LEU 100 CO 0.01 1.20 0.22 0.25 0.09 0.00 0.00 178.44 180.20 1yih h LEU 101 N 0.22 0.66 -0.13 1.67 6.46 -1.25 -2.25 115.31 120.69 1yih h LEU 101 Ca -0.03 -0.15 0.04 0.00 -0.12 0.00 0.00 57.88 57.62 1yih h LEU 101 Cb 1.17 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.89 1yih h LEU 101 CO 0.11 0.62 -0.10 0.28 -0.62 0.00 0.00 178.44 178.73 1yih h SER 102 N 0.65 -0.32 -0.46 1.25 0.02 -1.22 0.86 113.55 114.32 1yih h SER 102 Ca 0.17 0.07 0.05 0.00 -0.84 0.00 0.00 61.79 61.23 1yih h SER 102 Cb 0.16 0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.82 1yih h SER 102 CO -0.02 -0.14 0.21 -0.74 -1.14 0.00 0.00 176.83 175.01 1yih h HIS 103 N -0.11 0.38 -0.11 3.45 -0.00 -1.30 -1.57 115.15 115.90 1yih h HIS 103 Ca 0.09 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.41 1yih h HIS 103 Cb 0.23 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.53 1yih h HIS 103 CO -0.23 0.18 -0.24 0.00 -0.00 0.00 0.00 177.93 177.64 1yih h LEU 105 N 0.17 0.79 -0.47 0.00 5.85 -0.19 -1.98 115.31 119.47 1yih h LEU 105 Ca 0.03 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 1yih h LEU 105 Cb 0.52 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1yih h LEU 105 CO 0.04 0.93 0.13 -0.07 -0.34 0.00 0.00 178.44 179.13 1yih h LEU 106 N 0.63 0.70 -0.17 2.25 3.38 -0.98 -0.21 115.31 120.91 1yih h LEU 106 Ca 0.12 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1yih h LEU 106 Cb 0.54 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1yih h LEU 106 CO 0.03 0.73 0.05 0.58 0.09 0.00 0.00 178.44 179.92 1yih h VAL 107 N 0.63 0.95 -0.47 1.22 2.07 -1.32 0.10 116.25 119.43 1yih h VAL 107 Ca 0.15 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 1yih h VAL 107 Cb 0.29 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1yih h VAL 107 CO -0.00 0.02 0.17 0.74 0.02 0.00 0.00 177.57 178.52 1yih h THR 108 N 0.13 1.22 -0.43 2.57 2.02 -1.28 -2.36 112.91 114.77 1yih h THR 108 Ca 0.08 -0.69 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1yih h THR 108 Cb 0.05 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1yih h THR 108 CO -0.08 0.25 0.13 -0.07 0.37 0.00 0.00 175.52 176.12 1yih h LEU 109 N 0.62 0.64 -0.59 2.58 3.38 -0.60 -2.70 115.31 118.63 1yih h LEU 109 Ca 0.15 -0.21 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1yih h LEU 109 Cb 0.23 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 40.75 1yih h LEU 109 CO -0.01 0.68 0.26 0.00 0.09 0.00 0.00 178.44 179.46 1yih h ALA 110 N 0.98 0.77 0.00 1.53 0.00 -0.67 0.90 119.26 122.78 1yih h ALA 110 Ca 0.14 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1yih h ALA 110 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1yih h ALA 110 CO -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 179.25 179.12 1yih n ALA 111 N -2.41 1.87 -0.01 0.00 0.00 -0.90 -3.57 120.51 115.50 1yih n ALA 111 Ca 0.08 0.02 0.03 0.00 0.00 0.00 0.00 53.44 53.56 1yih n ALA 111 Cb 0.22 -1.39 -0.06 0.00 0.00 0.00 0.00 19.45 18.22 1yih n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yih n HIS 112 N -2.05 0.00 -3.09 0.00 -0.00 -0.76 -4.79 115.22 104.53 1yih n HIS 112 Ca 0.04 0.00 -0.24 0.00 -0.00 0.00 0.00 57.72 57.51 1yih n HIS 112 Cb 0.28 -0.19 -0.04 0.00 -0.00 0.00 0.00 29.99 30.03 1yih n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1yih n LEU 113 N -1.82 3.03 -0.13 2.41 4.77 0.24 -4.95 117.00 120.55 1yih n LEU 113 Ca -0.03 -5.39 -0.04 0.00 -0.03 0.00 0.00 56.01 50.52 1yih n LEU 113 Cb 0.26 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 1yih n LEU 113 CO 0.16 2.28 0.86 1.55 -1.33 0.00 0.00 177.39 180.91 1yih h PRO 114 N 3.21 0.13 -0.52 3.23 0.13 -1.82 0.16 132.00 136.53 1yih h PRO 114 Ca 0.13 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 65.19 1yih h PRO 114 Cb 0.68 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.76 1yih h PRO 114 CO 0.70 0.09 0.09 0.00 -0.23 0.00 0.00 178.00 178.65 1yih h ALA 115 N 1.35 0.69 -0.03 -0.56 0.00 -1.93 -3.27 119.26 115.51 1yih h ALA 115 Ca 0.20 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1yih h ALA 115 Cb 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1yih h ALA 115 CO -0.32 0.42 -0.74 0.93 0.00 0.00 0.00 179.25 179.54 1yih h GLU 116 N 0.74 0.18 -3.46 0.00 3.07 -1.91 -3.40 114.58 109.81 1yih h GLU 116 Ca 0.16 -0.16 -0.46 0.00 -0.50 0.00 0.00 59.36 58.39 1yih h GLU 116 Cb 0.39 0.04 0.02 0.00 -0.84 0.00 0.00 28.75 28.36 1yih h GLU 116 CO 0.01 0.84 2.84 0.34 -1.40 0.00 0.00 179.01 181.63 1yih n PHE 117 N -3.75 1.66 -2.02 4.33 7.35 0.55 -4.77 117.46 120.81 1yih n PHE 117 Ca -0.03 -2.19 -0.28 0.00 -0.76 0.00 0.00 57.45 54.19 1yih n PHE 117 Cb 0.71 -1.85 0.07 0.00 0.35 0.00 0.00 39.48 38.76 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 3.30 2.55 0.25 -2.13 -4.23 -1.26 -4.78 115.64 109.34 1yih s THR 118 Ca 0.47 0.04 -0.03 0.00 -1.18 0.00 0.00 61.69 60.98 1yih s THR 118 Cb 0.12 -3.15 0.23 0.00 1.34 0.00 0.00 72.50 71.04 1yih s THR 118 CO -0.03 -0.18 1.82 -0.65 -0.54 0.00 0.00 174.62 175.04 1yih h PRO 119 N -0.77 0.82 -0.27 3.99 0.11 -1.99 0.27 132.00 134.16 1yih h PRO 119 Ca -0.45 -0.05 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 1yih h PRO 119 Cb 1.30 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 1yih h PRO 119 CO 0.64 0.54 -0.33 0.00 -0.21 0.00 0.00 178.00 178.64 1yih h ALA 120 N 1.47 0.92 -0.12 -0.75 0.00 -1.96 -2.60 119.26 116.23 1yih h ALA 120 Ca 0.42 -0.40 -0.20 0.00 0.00 0.00 0.00 54.91 54.73 1yih h ALA 120 Cb 0.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1yih h ALA 120 CO -0.25 0.62 -0.74 0.28 0.00 0.00 0.00 179.25 179.16 1yih h VAL 121 N 0.50 1.33 -0.39 0.00 2.07 -1.68 -2.71 116.25 115.37 1yih h VAL 121 Ca 0.06 -2.05 -0.00 0.00 0.82 0.00 0.00 66.70 65.52 1yih h VAL 121 Cb 0.81 2.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.60 1yih h VAL 121 CO 0.07 0.63 0.24 -0.74 0.02 0.00 0.00 177.57 177.79 1yih h HIS 122 N 0.39 0.51 -0.66 1.57 6.17 -0.40 -0.32 115.15 122.42 1yih h HIS 122 Ca -0.04 0.00 -0.05 0.00 0.71 0.00 0.00 60.37 60.99 1yih h HIS 122 Cb 1.34 -0.17 -0.03 0.00 2.52 0.00 0.00 27.41 31.07 1yih h HIS 122 CO 0.06 0.35 0.21 0.00 0.71 0.00 0.00 177.93 179.26 1yih h ALA 123 N 1.12 0.86 -0.31 5.26 0.00 -1.44 -1.07 119.26 123.68 1yih h ALA 123 Ca 0.14 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1yih h ALA 123 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1yih h ALA 123 CO -0.03 0.54 0.05 0.77 0.00 0.00 0.00 179.25 180.58 1yih h SER 124 N 0.96 0.49 -0.62 0.00 0.02 -1.27 -0.65 113.55 112.47 1yih h SER 124 Ca 0.21 -0.26 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1yih h SER 124 Cb 0.30 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 1yih h SER 124 CO -0.01 0.62 0.31 -0.07 -1.14 0.00 0.00 176.83 176.54 1yih h LEU 125 N 0.33 0.80 -0.02 5.07 3.38 -0.97 0.15 115.31 124.04 1yih h LEU 125 Ca 0.09 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.95 1yih h LEU 125 Cb 0.34 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1yih h LEU 125 CO 0.01 0.69 -0.04 -0.78 0.09 0.00 0.00 178.44 178.41 1yih h ASP 126 N 0.84 -0.11 -0.70 -0.43 3.58 -1.06 0.35 116.42 118.90 1yih h ASP 126 Ca 0.21 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.70 1yih h ASP 126 Cb 0.10 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.16 1yih h ASP 126 CO -0.03 -0.05 0.46 0.11 -2.88 0.00 0.00 179.24 176.85 1yih h LYS 127 N -0.05 0.90 0.05 0.28 1.57 -0.83 -1.79 116.57 116.70 1yih h LYS 127 Ca 0.02 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1yih h LYS 127 Cb 0.09 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.19 1yih h LYS 127 CO -0.06 0.60 -0.02 0.35 -0.57 0.00 0.00 179.45 179.75 1yih h PHE 128 N 0.93 -0.06 -0.30 -1.35 3.57 -0.24 0.50 116.94 120.00 1yih h PHE 128 Ca 0.26 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.72 1yih h PHE 128 Cb -0.08 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.66 1yih h PHE 128 CO -0.03 -0.02 0.00 -0.07 -2.23 0.00 0.00 178.31 175.96 1yih h LEU 129 N -0.08 0.42 -0.32 0.59 3.38 -0.08 -1.04 115.31 118.18 1yih h LEU 129 Ca -0.01 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 1yih h LEU 129 Cb 0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1yih h LEU 129 CO 0.01 0.49 0.11 0.00 0.09 0.00 0.00 178.44 179.13 1yih h ALA 130 N 1.57 0.41 -0.63 1.53 0.00 -0.88 0.44 119.26 121.70 1yih h ALA 130 Ca 0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1yih h ALA 130 Cb 0.29 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1yih h ALA 130 CO 0.01 0.04 0.35 0.77 0.00 0.00 0.00 179.25 180.42 1yih h SER 131 N 0.36 0.79 -0.45 0.00 0.02 -0.26 -0.78 113.55 113.23 1yih h SER 131 Ca 0.10 -0.09 0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1yih h SER 131 Cb 0.23 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.53 1yih h SER 131 CO -0.00 0.66 0.23 0.58 -1.14 0.00 0.00 176.83 177.15 1yih h VAL 132 N 0.86 0.98 -0.48 2.27 2.07 -1.02 -1.97 116.25 118.96 1yih h VAL 132 Ca 0.22 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1yih h VAL 132 Cb 0.04 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1yih h VAL 132 CO -0.04 0.08 0.31 0.28 0.02 0.00 0.00 177.57 178.23 1yih h SER 133 N 0.46 0.53 -0.12 0.57 0.02 -0.20 -1.88 113.55 112.94 1yih h SER 133 Ca 0.19 -0.01 0.04 0.00 -0.84 0.00 0.00 61.79 61.17 1yih h SER 133 Cb 0.09 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.45 1yih h SER 133 CO -0.13 0.38 -0.18 0.74 -1.14 0.00 0.00 176.83 176.50 1yih h THR 134 N 0.64 0.54 -0.07 -2.27 2.02 -0.84 -1.40 112.91 111.53 1yih h THR 134 Ca 0.18 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.39 1yih h THR 134 Cb -0.05 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 1yih h THR 134 CO -0.05 0.00 -0.15 0.58 0.37 0.00 0.00 175.52 176.27 1yih h VAL 135 N -0.23 0.61 0.00 3.16 2.07 -1.21 -1.68 116.25 118.97 1yih h VAL 135 Ca 0.09 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1yih h VAL 135 Cb 0.37 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1yih h VAL 135 CO -0.26 0.00 -0.04 -0.07 0.02 0.00 0.00 177.57 177.22 1yih h LEU 136 N -0.22 0.00 -2.93 2.57 3.38 -1.01 -2.73 115.31 114.37 1yih h LEU 136 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1yih h LEU 136 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1yih h LEU 136 CO -0.20 0.04 0.00 0.35 0.09 0.00 0.00 178.44 178.73 1yih n THR 137 N -3.28 1.16 0.23 0.22 -2.24 -0.56 -4.49 114.28 105.33 1yih n THR 137 Ca -0.01 -1.10 0.11 0.00 -2.27 0.00 0.00 64.05 60.78 1yih n THR 137 Cb 0.21 0.41 0.44 0.00 -2.10 0.00 0.00 70.33 69.29 1yih n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1yih h SER 138 N 2.14 0.00 -0.42 3.42 4.64 -0.99 -3.17 113.55 119.17 1yih h SER 138 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 1yih h SER 138 Cb 0.84 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 1yih h SER 138 CO 0.03 0.17 0.03 0.29 -0.87 0.00 0.00 176.83 176.48 1yih n LYS 139 N -3.27 3.57 -0.16 4.77 5.02 -1.26 -4.66 118.16 122.16 1yih n LYS 139 Ca 0.01 -2.99 -0.04 0.00 -2.02 0.00 0.00 58.31 53.26 1yih n LYS 139 Cb 0.44 -2.02 0.14 0.00 -0.02 0.00 0.00 35.03 33.57 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 2.53 0.95 0.00 2.13 0.99 -1.88 -3.46 116.97 118.22 1yih h TYR 140 Ca 0.04 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1yih h TYR 140 Cb 1.73 -0.27 0.00 0.00 1.00 0.00 0.00 36.73 39.19 1yih h TYR 140 CO 0.80 0.80 0.00 2.89 -0.00 0.00 0.00 178.16 182.65