#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yce s ASP 2 N 0.00 5.08 0.15 6.12 1.47 -1.26 -4.98 116.67 123.25 1yce s ASP 2 Ca 0.00 0.75 0.03 0.00 1.18 0.00 0.00 52.55 54.52 1yce s ASP 2 Cb 0.00 -1.48 -0.07 0.00 -0.34 0.00 0.00 42.92 41.03 1yce s ASP 2 CO 0.00 -1.48 1.34 -0.03 0.68 0.00 0.00 175.17 175.68 1yce h MET 3 N -0.62 0.14 -0.56 2.11 1.85 -2.03 -2.33 114.93 113.49 1yce h MET 3 Ca -0.45 -0.18 -0.10 0.00 -0.61 0.00 0.00 59.70 58.36 1yce h MET 3 Cb 1.29 0.06 -0.02 0.00 0.43 0.00 0.00 31.60 33.36 1yce h MET 3 CO 0.63 0.97 -0.05 1.25 -0.40 0.00 0.00 176.91 179.30 1yce h LEU 4 N 0.07 1.00 -0.63 3.39 5.85 -1.99 -1.67 115.31 121.32 1yce h LEU 4 Ca -0.04 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 1yce h LEU 4 Cb 1.60 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1yce h LEU 4 CO 0.14 1.08 0.18 0.15 -0.34 0.00 0.00 178.44 179.65 1yce h PHE 5 N 0.91 1.03 0.14 1.25 -0.00 -1.94 -0.95 116.94 117.38 1yce h PHE 5 Ca 0.15 -0.11 -0.01 0.00 -0.00 0.00 0.00 57.97 58.01 1yce h PHE 5 Cb 0.60 -0.29 0.00 0.00 -0.00 0.00 0.00 35.95 36.26 1yce h PHE 5 CO 0.04 0.85 -0.06 0.00 -0.00 0.00 0.00 178.31 179.13 1yce h ALA 6 N 1.06 -0.18 -0.46 2.41 0.00 -1.11 -2.13 119.26 118.85 1yce h ALA 6 Ca 0.20 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1yce h ALA 6 Cb 0.31 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1yce h ALA 6 CO -0.00 -0.58 0.29 0.87 0.00 0.00 0.00 179.25 179.82 1yce h LYS 7 N -0.22 0.61 -0.40 0.00 1.57 -1.30 -2.49 116.57 114.34 1yce h LYS 7 Ca -0.02 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1yce h LYS 7 Cb 0.17 -0.13 -0.07 0.00 0.08 0.00 0.00 32.23 32.28 1yce h LYS 7 CO 0.03 0.42 -0.05 1.15 -0.57 0.00 0.00 179.45 180.44 1yce h THR 8 N 0.62 0.65 -0.03 -0.16 2.02 -0.98 -0.12 112.91 114.91 1yce h THR 8 Ca 0.17 -0.02 -0.17 0.00 0.77 0.00 0.00 66.41 67.16 1yce h THR 8 Cb -0.04 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 66.94 1yce h THR 8 CO -0.03 0.01 -0.75 -0.37 0.37 0.00 0.00 175.52 174.75 1yce h VAL 9 N 0.05 1.45 -0.37 3.16 -1.51 -1.25 -1.32 116.25 116.47 1yce h VAL 9 Ca 0.20 -2.34 -0.10 0.00 -1.23 0.00 0.00 66.70 63.23 1yce h VAL 9 Cb 0.29 2.26 -0.01 0.00 -2.13 0.00 0.00 31.29 31.70 1yce h VAL 9 CO -0.37 0.68 -0.16 0.58 -1.23 0.00 0.00 177.57 177.07 1yce h VAL 10 N 0.12 1.28 -0.36 7.19 2.07 -1.19 -2.20 116.25 123.16 1yce h VAL 10 Ca -0.02 -1.28 -0.17 0.00 0.82 0.00 0.00 66.70 66.05 1yce h VAL 10 Cb 1.31 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 1yce h VAL 10 CO 0.11 0.42 -0.42 -0.07 0.02 0.00 0.00 177.57 177.63 1yce h LEU 11 N 0.55 0.98 -0.68 2.57 3.38 -1.02 -1.71 115.31 119.38 1yce h LEU 11 Ca 0.08 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.63 1yce h LEU 11 Cb 0.70 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.13 1yce h LEU 11 CO 0.05 1.26 0.41 0.00 0.09 0.00 0.00 178.44 180.25 1yce h ALA 12 N 0.77 0.90 -0.47 1.53 0.00 -1.22 -1.54 119.26 119.24 1yce h ALA 12 Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1yce h ALA 12 Cb 1.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1yce h ALA 12 CO 0.10 0.14 -0.04 0.00 0.00 0.00 0.00 179.25 179.45 1yce h ALA 13 N 1.32 1.04 -0.75 0.00 0.00 -1.35 -2.70 119.26 116.81 1yce h ALA 13 Ca 0.29 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yce h ALA 13 Cb 0.09 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1yce h ALA 13 CO -0.14 0.59 0.47 0.77 0.00 0.00 0.00 179.25 180.94 1yce h SER 14 N 0.75 0.89 -0.37 0.00 0.02 -0.90 0.07 113.55 114.01 1yce h SER 14 Ca 0.14 -0.05 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1yce h SER 14 Cb 0.52 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1yce h SER 14 CO 0.03 0.68 0.23 0.00 -1.14 0.00 0.00 176.83 176.63 1yce h ALA 15 N 1.25 0.47 -0.51 3.77 0.00 -1.12 -0.30 119.26 122.81 1yce h ALA 15 Ca 0.27 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1yce h ALA 15 Cb -0.06 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1yce h ALA 15 CO -0.05 -0.09 0.22 0.28 0.00 0.00 0.00 179.25 179.60 1yce h VAL 16 N 0.48 1.21 -0.67 0.00 2.07 -1.31 -2.61 116.25 115.41 1yce h VAL 16 Ca 0.14 -0.63 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1yce h VAL 16 Cb -0.04 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 1yce h VAL 16 CO -0.04 0.24 0.37 1.23 0.02 0.00 0.00 177.57 179.39 1yce h GLY 17 N 0.68 1.00 0.86 2.17 0.00 -0.81 -1.88 103.07 105.09 1yce h GLY 17 Ca 0.17 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1yce h GLY 17 CO -0.02 0.43 0.02 0.00 0.00 0.00 0.00 176.54 176.97 1yce h ALA 18 N 1.19 0.06 -0.82 3.60 0.00 -0.98 -1.91 119.26 120.40 1yce h ALA 18 Ca 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1yce h ALA 18 Cb 0.03 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1yce h ALA 18 CO -0.04 -0.37 0.44 0.78 0.00 0.00 0.00 179.25 180.06 1yce h GLY 19 N -0.08 1.22 0.98 0.00 0.00 -1.38 -2.80 103.07 101.01 1yce h GLY 19 Ca 0.01 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.75 1yce h GLY 19 CO -0.00 0.53 0.16 -0.84 0.00 0.00 0.00 176.54 176.39 1yce h THR 20 N 1.15 1.23 -0.80 4.70 2.02 -1.22 -2.86 112.91 117.13 1yce h THR 20 Ca 0.29 -0.77 0.12 0.00 0.77 0.00 0.00 66.41 66.81 1yce h THR 20 Cb 0.04 0.77 -0.06 0.00 -1.74 0.00 0.00 68.15 67.16 1yce h THR 20 CO -0.05 0.29 0.52 0.00 0.37 0.00 0.00 175.52 176.65 1yce h ALA 21 N 1.02 1.85 0.00 6.16 0.00 -1.08 -2.08 119.26 125.13 1yce h ALA 21 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1yce h ALA 21 Cb 0.27 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1yce h ALA 21 CO -0.01 -0.04 0.00 -1.33 0.00 0.00 0.00 179.25 177.87 1yce n MET 22 N -4.51 0.05 0.27 0.00 2.81 -1.08 -2.42 117.12 112.24 1yce n MET 22 Ca 0.14 0.31 0.11 0.00 -1.81 0.00 0.00 57.70 56.45 1yce n MET 22 Cb 0.40 -1.60 0.75 0.00 -0.71 0.00 0.00 33.22 32.06 1yce n MET 22 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 1yce h ILE 23 N 0.00 0.81 -0.58 2.02 2.04 -1.46 -2.14 117.51 118.19 1yce h ILE 23 Ca 0.00 -0.03 0.17 0.00 1.00 0.00 0.00 64.86 65.99 1yce h ILE 23 Cb 0.27 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1yce h ILE 23 CO 0.00 0.01 0.52 0.00 0.00 0.00 0.00 178.15 178.68 1yce h ALA 24 N 1.99 2.40 0.00 1.87 0.00 -1.69 -2.47 119.26 121.36 1yce h ALA 24 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1yce h ALA 24 Cb 0.02 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1yce h ALA 24 CO 0.00 -0.82 0.05 0.41 0.00 0.00 0.00 179.25 178.89 1yce n GLY 25 N -1.58 -0.71 0.30 0.00 0.00 -0.81 -1.85 105.19 100.56 1yce n GLY 25 Ca 0.11 0.13 -0.05 0.00 0.00 0.00 0.00 46.02 46.22 1yce n GLY 25 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1yce h ILE 26 N 0.00 1.21 0.88 -0.61 2.04 -1.69 -3.24 117.51 116.10 1yce h ILE 26 Ca 0.00 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 1yce h ILE 26 Cb 0.10 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1yce h ILE 26 CO 0.00 0.21 -0.42 1.23 0.00 0.00 0.00 178.15 179.17 1yce h GLY 27 N 1.05 -1.24 0.39 5.37 0.00 -1.63 -2.51 103.07 104.51 1yce h GLY 27 Ca 0.28 0.46 0.15 0.00 0.00 0.00 0.00 47.33 48.22 1yce h GLY 27 CO -0.06 -0.45 0.61 -2.55 0.00 0.00 0.00 176.54 174.10 1yce h PRO 28 N -1.24 0.81 -0.71 4.80 0.11 -1.75 -1.48 132.00 132.54 1yce h PRO 28 Ca -0.12 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.94 1yce h PRO 28 Cb 0.91 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.81 1yce h PRO 28 CO 0.20 0.53 0.43 0.78 -0.21 0.00 0.00 178.00 179.73 1yce h GLY 29 N 0.83 1.02 0.70 -0.55 0.00 -1.53 -0.07 103.07 103.47 1yce h GLY 29 Ca 0.50 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1yce h GLY 29 CO -0.27 0.41 -0.18 -2.08 0.00 0.00 0.00 176.54 174.41 1yce h VAL 30 N 0.96 0.58 -0.37 4.60 2.07 -0.99 -2.81 116.25 120.29 1yce h VAL 30 Ca 0.25 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.22 1yce h VAL 30 Cb -0.04 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1yce h VAL 30 CO -0.05 0.09 0.01 1.23 0.02 0.00 0.00 177.57 178.87 1yce h GLY 31 N -0.82 0.70 1.87 2.17 0.00 -1.25 -2.38 103.07 103.37 1yce h GLY 31 Ca -0.05 -0.51 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 1yce h GLY 31 CO 0.09 0.47 -0.34 1.46 0.00 0.00 0.00 176.54 178.22 1yce h GLN 32 N 0.47 0.14 -0.35 4.80 4.20 -1.14 -2.19 115.11 121.06 1yce h GLN 32 Ca 0.11 -0.06 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 1yce h GLN 32 Cb 0.45 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 1yce h GLN 32 CO 0.02 0.47 -0.35 0.78 -0.67 0.00 0.00 178.83 179.08 1yce h GLY 33 N 1.09 0.87 0.74 3.46 0.00 -1.31 -1.16 103.07 106.75 1yce h GLY 33 Ca 0.02 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1yce h GLY 33 CO 0.05 0.77 -0.23 -1.82 0.00 0.00 0.00 176.54 175.30 1yce h TYR 34 N 0.66 -0.61 -0.92 5.60 3.20 -1.20 -1.36 116.97 122.34 1yce h TYR 34 Ca 0.06 0.00 0.10 0.00 3.14 0.00 0.00 58.73 62.04 1yce h TYR 34 Cb 0.90 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 39.34 1yce h TYR 34 CO 0.05 -0.34 0.59 0.00 -1.64 0.00 0.00 178.16 176.82 1yce h ALA 35 N 0.19 1.61 -0.62 1.82 0.00 -1.23 -1.05 119.26 119.98 1yce h ALA 35 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 1yce h ALA 35 Cb 0.46 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1yce h ALA 35 CO -0.05 0.19 0.10 0.00 0.00 0.00 0.00 179.25 179.49 1yce h ALA 36 N 1.55 1.01 -0.46 0.00 0.00 -0.95 -1.63 119.26 118.78 1yce h ALA 36 Ca 0.44 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 1yce h ALA 36 Cb 0.43 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1yce h ALA 36 CO -0.20 0.63 0.15 0.78 0.00 0.00 0.00 179.25 180.61 1yce h GLY 37 N 1.03 0.77 1.22 0.00 0.00 -0.07 -1.63 103.07 104.38 1yce h GLY 37 Ca 0.19 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1yce h GLY 37 CO 0.01 0.43 0.22 0.50 0.00 0.00 0.00 176.54 177.70 1yce h LYS 38 N 0.61 0.99 -0.85 4.80 1.79 -1.22 -2.33 116.57 120.36 1yce h LYS 38 Ca 0.15 -0.19 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 1yce h LYS 38 Cb 0.27 -0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 30.72 1yce h LYS 38 CO -0.00 0.84 0.41 0.00 -1.08 0.00 0.00 179.45 179.61 1yce h ALA 39 N 1.28 1.12 -0.02 3.86 0.00 -1.04 -1.51 119.26 122.94 1yce h ALA 39 Ca 0.22 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1yce h ALA 39 Cb 0.25 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1yce h ALA 39 CO -0.01 0.66 0.01 0.28 0.00 0.00 0.00 179.25 180.19 1yce h VAL 40 N 1.21 1.13 -0.75 0.00 2.07 -1.08 -1.66 116.25 117.16 1yce h VAL 40 Ca 0.29 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1yce h VAL 40 Cb 0.12 1.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1yce h VAL 40 CO -0.04 0.10 0.30 -0.08 0.02 0.00 0.00 177.57 177.87 1yce h GLU 41 N -0.11 1.13 -0.12 1.57 4.81 -1.38 -2.68 114.58 117.80 1yce h GLU 41 Ca 0.01 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 58.96 1yce h GLU 41 Cb 0.15 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.34 1yce h GLU 41 CO -0.00 0.92 -0.24 0.77 -0.73 0.00 0.00 179.01 179.73 1yce h SER 42 N 1.09 0.20 1.56 1.04 0.02 -1.20 -2.43 113.55 113.83 1yce h SER 42 Ca 0.25 -0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1yce h SER 42 Cb 0.22 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.71 1yce h SER 42 CO -0.02 0.45 -0.04 -0.37 -1.14 0.00 0.00 176.83 175.72 1yce h VAL 43 N 0.19 0.00 0.14 2.27 -1.51 -1.11 -1.48 116.25 114.75 1yce h VAL 43 Ca 0.03 -0.60 -0.01 0.00 -1.23 0.00 0.00 66.70 64.89 1yce h VAL 43 Cb 0.54 1.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1yce h VAL 43 CO 0.04 0.00 -0.07 0.00 -1.23 0.00 0.00 177.57 176.31 1yce h ALA 44 N 2.40 -0.19 0.10 5.19 0.00 -1.15 -3.29 119.26 122.31 1yce h ALA 44 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1yce h ALA 44 Cb 0.80 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 1yce h ALA 44 CO 0.00 -0.28 -0.39 0.00 0.00 0.00 0.00 179.25 178.57 1yce h ARG 45 N -0.84 -0.59 -2.60 0.00 3.08 -1.52 -3.42 114.38 108.49 1yce h ARG 45 Ca -0.02 0.04 -0.60 0.00 0.07 0.00 0.00 59.98 59.47 1yce h ARG 45 Cb 0.54 0.13 -0.39 0.00 0.08 0.00 0.00 29.97 30.33 1yce h ARG 45 CO 0.03 -0.39 -0.85 -0.65 -1.07 0.00 0.00 179.97 177.03 1yce s GLN 46 N -5.93 1.24 0.61 0.04 -0.21 -0.56 -4.97 119.66 109.88 1yce s GLN 46 Ca -0.16 -2.29 0.33 0.00 0.02 0.00 0.00 55.36 53.26 1yce s GLN 46 Cb 0.08 -1.93 1.97 0.00 1.00 0.00 0.00 33.01 34.13 1yce s GLN 46 CO 0.64 -1.33 2.28 -1.35 -2.12 0.00 0.00 175.29 173.41 1yce h PRO 47 N 5.83 0.00 -0.16 2.91 0.11 -1.80 -2.96 132.00 135.94 1yce h PRO 47 Ca 0.19 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.31 1yce h PRO 47 Cb 0.88 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 1yce h PRO 47 CO 0.45 0.00 0.09 0.93 -0.21 0.00 0.00 178.00 179.26 1yce h GLU 48 N 0.00 0.19 -0.99 1.05 3.07 -1.93 -3.21 114.58 112.76 1yce h GLU 48 Ca 0.00 -0.01 -0.21 0.00 -0.50 0.00 0.00 59.36 58.65 1yce h GLU 48 Cb 0.04 -0.04 -0.12 0.00 -0.84 0.00 0.00 28.75 27.78 1yce h GLU 48 CO -0.00 0.12 0.26 0.00 -1.40 0.00 0.00 179.01 177.99 1yce n ALA 49 N -2.15 3.77 -0.05 3.43 0.00 -1.12 -4.46 120.51 119.93 1yce n ALA 49 Ca -0.04 -1.20 -0.13 0.00 0.00 0.00 0.00 53.44 52.08 1yce n ALA 49 Cb 0.04 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.23 1yce n ALA 49 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1yce h LYS 50 N 0.50 0.29 -0.55 0.00 3.64 -1.72 1.00 116.57 119.74 1yce h LYS 50 Ca 0.25 -0.14 0.11 0.00 -1.27 0.00 0.00 60.65 59.60 1yce h LYS 50 Cb 1.75 0.00 -0.09 0.00 -0.41 0.00 0.00 32.23 33.49 1yce h LYS 50 CO 0.45 0.66 0.05 0.78 -2.27 0.00 0.00 179.45 179.13 1yce h GLY 51 N -0.08 0.63 0.94 5.01 0.00 -1.87 -1.05 103.07 106.63 1yce h GLY 51 Ca 0.02 0.03 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 1yce h GLY 51 CO 0.03 -0.13 -0.07 -0.55 0.00 0.00 0.00 176.54 175.81 1yce h ASP 52 N 0.17 0.68 -0.06 0.19 3.32 -1.80 -1.08 116.42 117.84 1yce h ASP 52 Ca 0.28 -0.35 0.04 0.00 0.02 0.00 0.00 57.03 57.02 1yce h ASP 52 Cb 0.43 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.74 1yce h ASP 52 CO -0.42 0.87 -0.25 0.40 -1.72 0.00 0.00 179.24 178.12 1yce h ILE 53 N 0.48 0.41 -0.38 0.35 2.04 -0.52 -0.18 117.51 119.70 1yce h ILE 53 Ca 0.09 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.80 1yce h ILE 53 Cb 0.57 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1yce h ILE 53 CO 0.03 0.00 -0.38 0.40 0.00 0.00 0.00 178.15 178.21 1yce h ILE 54 N -0.36 1.27 -0.54 -0.67 2.04 -1.17 0.15 117.51 118.24 1yce h ILE 54 Ca 0.08 -1.55 -0.11 0.00 1.00 0.00 0.00 64.86 64.28 1yce h ILE 54 Cb 0.47 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 1yce h ILE 54 CO -0.27 0.52 -0.09 0.77 0.00 0.00 0.00 178.15 179.08 1yce h SER 55 N 0.74 0.99 -0.55 1.72 4.64 -1.11 -1.50 113.55 118.48 1yce h SER 55 Ca 0.06 -0.31 -0.10 0.00 -0.47 0.00 0.00 61.79 60.97 1yce h SER 55 Cb 0.97 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 1yce h SER 55 CO 0.09 1.09 -0.05 0.74 -0.87 0.00 0.00 176.83 177.84 1yce h THR 56 N 0.89 1.27 -0.15 2.95 2.02 -0.95 -1.98 112.91 116.96 1yce h THR 56 Ca 0.14 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.14 1yce h THR 56 Cb 0.64 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.96 1yce h THR 56 CO 0.04 0.42 0.09 -0.03 0.37 0.00 0.00 175.52 176.42 1yce h MET 57 N 0.89 0.19 -0.56 6.66 -1.53 -0.75 -1.91 114.93 117.91 1yce h MET 57 Ca 0.15 -0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.34 1yce h MET 57 Cb 0.60 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.59 1yce h MET 57 CO 0.04 0.14 0.14 0.28 0.14 0.00 0.00 176.91 177.65 1yce h VAL 58 N 0.19 1.25 -0.01 -5.77 2.07 -1.25 -0.37 116.25 112.35 1yce h VAL 58 Ca 0.05 -0.87 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1yce h VAL 58 Cb -0.01 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1yce h VAL 58 CO -0.01 0.32 0.01 0.25 0.02 0.00 0.00 177.57 178.16 1yce h LEU 59 N 0.80 0.02 -0.66 2.57 6.46 -1.23 -0.45 115.31 122.82 1yce h LEU 59 Ca 0.18 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.81 1yce h LEU 59 Cb 0.33 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 1yce h LEU 59 CO 0.00 0.02 -0.25 1.23 -0.62 0.00 0.00 178.44 178.82 1yce h GLY 60 N 0.01 0.84 1.06 3.75 0.00 -1.29 -2.50 103.07 104.95 1yce h GLY 60 Ca 0.00 -0.74 -0.07 0.00 0.00 0.00 0.00 47.33 46.52 1yce h GLY 60 CO -0.00 0.67 0.14 1.46 0.00 0.00 0.00 176.54 178.81 1yce h GLN 61 N 0.67 1.12 -0.48 4.80 4.20 -1.03 -2.65 115.11 121.74 1yce h GLN 61 Ca 0.09 -0.28 0.04 0.00 0.06 0.00 0.00 58.65 58.55 1yce h GLN 61 Cb 0.77 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 1yce h GLN 61 CO 0.06 1.00 0.25 0.00 -0.67 0.00 0.00 178.83 179.47 1yce h ALA 62 N 1.07 0.61 -0.60 3.87 0.00 -0.79 -1.70 119.26 121.72 1yce h ALA 62 Ca 0.21 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1yce h ALA 62 Cb 0.41 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1yce h ALA 62 CO 0.01 -0.10 0.38 0.28 0.00 0.00 0.00 179.25 179.82 1yce h VAL 63 N 0.49 1.11 0.00 0.00 2.07 -1.38 -2.14 116.25 116.40 1yce h VAL 63 Ca 0.21 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1yce h VAL 63 Cb 0.10 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1yce h VAL 63 CO -0.14 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1yce h ALA 64 N 1.24 1.00 0.00 1.67 0.00 -1.05 -2.86 119.26 119.26 1yce h ALA 64 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1yce h ALA 64 Cb -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1yce h ALA 64 CO -0.07 0.00 -0.39 1.49 0.00 0.00 0.00 179.25 180.28 1yce h GLU 65 N 0.00 0.00 -1.00 0.00 4.57 -0.62 -3.40 114.58 114.13 1yce h GLU 65 Ca 0.00 0.00 0.11 0.00 -1.18 0.00 0.00 59.36 58.29 1yce h GLU 65 Cb 0.21 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.72 1yce h GLU 65 CO 0.00 0.39 0.63 0.66 -1.18 0.00 0.00 179.01 179.51 1yce h SER 66 N 0.00 0.95 1.10 1.04 4.64 -1.56 -0.90 113.55 118.82 1yce h SER 66 Ca -0.00 0.04 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 1yce h SER 66 Cb 1.14 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1yce h SER 66 CO 0.05 0.52 -0.33 0.71 -0.87 0.00 0.00 176.83 176.91 1yce h THR 67 N 1.03 0.70 -0.47 2.95 1.35 -1.83 -0.90 112.91 115.74 1yce h THR 67 Ca 0.48 -1.52 -0.13 0.00 -0.55 0.00 0.00 66.41 64.70 1yce h THR 67 Cb 0.43 1.99 -0.01 0.00 -1.73 0.00 0.00 68.15 68.83 1yce h THR 67 CO -0.25 0.32 -0.22 1.23 -0.25 0.00 0.00 175.52 176.35 1yce h GLY 68 N 2.53 1.04 1.01 5.82 0.00 -1.45 -2.71 103.07 109.31 1yce h GLY 68 Ca -0.00 -0.92 -0.08 0.00 0.00 0.00 0.00 47.33 46.33 1yce h GLY 68 CO 0.04 0.84 0.02 -2.22 0.00 0.00 0.00 176.54 175.22 1yce h ILE 69 N 0.83 1.26 -0.33 2.60 1.08 -1.09 -2.28 117.51 119.58 1yce h ILE 69 Ca 0.11 -1.05 0.01 0.00 -0.39 0.00 0.00 64.86 63.53 1yce h ILE 69 Cb 0.79 0.95 -0.02 0.00 -3.07 0.00 0.00 36.82 35.47 1yce h ILE 69 CO 0.07 0.37 0.20 1.88 -0.69 0.00 0.00 178.15 179.98 1yce h TYR 70 N 0.74 0.38 -0.35 1.37 0.05 -1.14 0.55 116.97 118.57 1yce h TYR 70 Ca 0.14 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.96 1yce h TYR 70 Cb 0.50 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.09 1yce h TYR 70 CO 0.04 0.23 0.19 0.77 -1.05 0.00 0.00 178.16 178.33 1yce h SER 71 N 0.41 0.29 -1.01 3.88 0.02 -1.49 -1.62 113.55 114.03 1yce h SER 71 Ca 0.13 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.14 1yce h SER 71 Cb -0.02 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.41 1yce h SER 71 CO -0.05 0.21 0.65 0.25 -1.14 0.00 0.00 176.83 176.76 1yce h LEU 72 N 0.38 1.06 -0.31 5.07 5.85 -0.88 0.22 115.31 126.71 1yce h LEU 72 Ca 0.14 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1yce h LEU 72 Cb 0.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 1yce h LEU 72 CO -0.09 0.69 -0.01 0.58 -0.34 0.00 0.00 178.44 179.28 1yce h VAL 73 N 1.21 1.26 -0.56 1.05 2.07 -0.47 -1.22 116.25 119.59 1yce h VAL 73 Ca 0.42 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1yce h VAL 73 Cb 0.12 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1yce h VAL 73 CO -0.16 0.32 0.36 0.40 0.02 0.00 0.00 177.57 178.51 1yce h ILE 74 N 0.35 1.15 -0.61 4.57 1.08 -0.71 -0.61 117.51 122.73 1yce h ILE 74 Ca 0.09 -0.30 -0.00 0.00 -0.39 0.00 0.00 64.86 64.25 1yce h ILE 74 Cb 0.46 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.52 1yce h ILE 74 CO 0.02 0.15 0.38 0.00 -0.69 0.00 0.00 178.15 178.00 1yce h ALA 75 N 1.19 0.78 0.00 1.87 0.00 -0.83 -2.04 119.26 120.23 1yce h ALA 75 Ca 0.20 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1yce h ALA 75 Cb -0.06 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1yce h ALA 75 CO -0.04 0.25 -0.50 -0.07 0.00 0.00 0.00 179.25 178.89 1yce h LEU 76 N 0.83 0.00 0.12 0.00 3.38 -0.86 -1.55 115.31 117.22 1yce h LEU 76 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 1yce h LEU 76 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1yce h LEU 76 CO -0.04 0.50 -0.06 0.40 0.09 0.00 0.00 178.44 179.33 1yce h ILE 77 N 0.00 1.03 -0.90 1.22 2.04 -0.93 -0.40 117.51 119.57 1yce h ILE 77 Ca -0.01 -0.60 0.08 0.00 1.00 0.00 0.00 64.86 65.33 1yce h ILE 77 Cb 0.97 1.41 -0.06 0.00 -0.74 0.00 0.00 36.82 38.40 1yce h ILE 77 CO 0.07 0.14 0.58 -0.07 0.00 0.00 0.00 178.15 178.87 1yce h LEU 78 N -0.44 0.87 0.17 1.44 3.38 -1.18 0.30 115.31 119.84 1yce h LEU 78 Ca -0.02 0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 1yce h LEU 78 Cb 0.36 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1yce h LEU 78 CO 0.03 0.54 -1.46 -0.07 0.09 0.00 0.00 178.44 177.56 1yce h LEU 79 N 0.97 0.55 0.00 1.67 3.38 -1.28 -3.39 115.31 117.21 1yce h LEU 79 Ca 0.40 -0.66 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1yce h LEU 79 Cb 0.28 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1yce h LEU 79 CO -0.16 1.53 -0.59 -1.22 0.09 0.00 0.00 178.44 178.09 1yce n TYR 80 N -3.56 0.00 -2.90 1.13 4.02 -0.16 -4.74 117.16 110.94 1yce n TYR 80 Ca -0.15 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.60 1yce n TYR 80 Cb 1.06 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.38 1yce n TYR 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1yce n ALA 81 N -1.28 2.82 -1.98 -0.72 0.00 0.04 -5.02 120.51 114.37 1yce n ALA 81 Ca 0.00 -3.29 -0.42 0.00 0.00 0.00 0.00 53.44 49.72 1yce n ALA 81 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.50 1yce n ALA 81 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1yce s ASN 82 N -2.82 6.65 0.00 0.00 3.84 -0.83 -4.67 114.94 117.11 1yce s ASN 82 Ca 0.34 2.27 0.28 0.00 0.21 0.00 0.00 52.86 55.96 1yce s ASN 82 Cb 0.41 -2.53 1.09 0.00 -0.55 0.00 0.00 41.25 39.67 1yce s ASN 82 CO -0.02 -0.94 1.82 -0.81 -2.79 0.00 0.00 177.10 174.37 1yce n PRO 83 N 7.17 0.01 0.05 0.43 -0.04 -1.26 -4.06 135.00 137.30 1yce n PRO 83 Ca 0.17 -0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.41 1yce n PRO 83 Cb 0.43 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.24 1yce n PRO 83 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1yce h PHE 84 N 0.01 0.61 -0.47 0.54 0.05 -1.98 -3.37 116.94 112.32 1yce h PHE 84 Ca 0.00 -0.45 0.12 0.00 3.82 0.00 0.00 57.97 61.46 1yce h PHE 84 Cb 0.50 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.40 1yce h PHE 84 CO 0.00 1.69 0.33 -0.39 -0.18 0.00 0.00 178.31 179.76 1yce h VAL 85 N 0.09 0.82 0.00 -0.55 -1.51 -1.98 -1.04 116.25 112.08 1yce h VAL 85 Ca -0.37 -0.04 -0.03 0.00 -1.23 0.00 0.00 66.70 65.03 1yce h VAL 85 Cb 2.07 0.69 -0.00 0.00 -2.13 0.00 0.00 31.29 31.92 1yce h VAL 85 CO 0.14 0.02 -0.16 1.23 -1.23 0.00 0.00 177.57 177.58 1yce h GLY 86 N 0.12 0.00 1.96 5.19 0.00 -1.80 -3.17 103.07 105.36 1yce h GLY 86 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1yce h GLY 86 CO -0.03 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.55 1yce n LEU 87 N -3.15 0.00 -4.71 3.11 4.77 -0.40 -4.84 117.00 111.79 1yce n LEU 87 Ca 0.03 0.48 -0.41 0.00 -0.03 0.00 0.00 56.01 56.08 1yce n LEU 87 Cb 0.58 -0.48 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1yce n LEU 87 CO 0.36 -0.09 0.55 -0.76 -1.33 0.00 0.00 177.39 176.12 1yce s LEU 88 N -2.96 4.31 0.00 2.23 1.43 -1.20 -5.14 118.68 117.36 1yce s LEU 88 Ca 0.13 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 1yce s LEU 88 Cb 0.16 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1yce s LEU 88 CO 0.43 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.39