#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 5.06 0.14 6.12 1.47 -1.26 -4.98 116.67 123.23 1yce s ASP 2 Ca 0.00 0.72 0.03 0.00 1.18 0.00 0.00 52.55 54.48 1yce s ASP 2 Cb 0.00 -1.45 -0.09 0.00 -0.34 0.00 0.00 42.92 41.05 1yce s ASP 2 CO 0.00 -1.48 1.33 -0.03 0.68 0.00 0.00 175.17 175.66 1yce h MET 3 N -0.60 0.13 -0.55 2.11 1.85 -2.03 -2.32 114.93 113.52 1yce h MET 3 Ca -0.45 -0.17 -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 0.62 0.99 -0.06 1.25 -0.40 0.00 0.00 176.91 179.31 1yce h LEU 4 N 0.06 0.98 -0.56 3.39 5.85 -1.99 -1.65 115.31 121.39 1yce h LEU 4 Ca -0.05 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.34 1yce h LEU 4 Cb 1.63 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.37 1yce h LEU 4 CO 0.14 1.07 0.20 0.15 -0.34 0.00 0.00 178.44 179.66 1yce h PHE 5 N 0.90 0.86 0.06 1.25 -0.00 -1.94 -0.94 116.94 117.13 1yce h PHE 5 Ca 0.15 -0.07 -0.00 0.00 -0.00 0.00 0.00 57.97 58.05 1yce h PHE 5 Cb 0.60 -0.26 0.00 0.00 -0.00 0.00 0.00 35.95 36.30 1yce h PHE 5 CO 0.04 0.71 -0.03 0.00 -0.00 0.00 0.00 178.31 179.04 1yce h ALA 6 N 1.06 -0.08 -0.52 2.41 0.00 -1.12 -2.07 119.26 118.93 1yce h ALA 6 Ca 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1yce h ALA 6 Cb 0.23 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1yce h ALA 6 CO -0.01 -0.54 0.29 0.87 0.00 0.00 0.00 179.25 179.86 1yce h LYS 7 N -0.09 0.73 -0.35 0.00 1.57 -1.29 -2.56 116.57 114.58 1yce h LYS 7 Ca -0.01 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1yce h LYS 7 Cb 0.07 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.16 1yce h LYS 7 CO 0.01 0.56 -0.10 1.15 -0.57 0.00 0.00 179.45 180.50 1yce h THR 8 N 0.70 0.62 -0.02 -0.16 2.02 -0.97 -0.23 112.91 114.87 1yce h THR 8 Ca 0.19 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.20 1yce h THR 8 Cb 0.04 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1yce h THR 8 CO -0.03 0.00 -0.73 -0.37 0.37 0.00 0.00 175.52 174.76 1yce h VAL 9 N -0.02 1.46 -0.34 3.16 -1.51 -1.26 -1.24 116.25 116.50 1yce h VAL 9 Ca 0.17 -2.34 -0.10 0.00 -1.23 0.00 0.00 66.70 63.21 1yce h VAL 9 Cb 0.28 2.26 -0.01 0.00 -2.13 0.00 0.00 31.29 31.69 1yce h VAL 9 CO -0.37 0.68 -0.17 0.58 -1.23 0.00 0.00 177.57 177.06 1yce h VAL 10 N 0.10 1.29 -0.29 7.19 2.07 -1.23 -2.24 116.25 123.14 1yce h VAL 10 Ca -0.02 -1.29 -0.17 0.00 0.82 0.00 0.00 66.70 66.04 1yce h VAL 10 Cb 1.29 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1yce h VAL 10 CO 0.11 0.42 -0.50 -0.07 0.02 0.00 0.00 177.57 177.55 1yce h LEU 11 N 0.50 0.89 -0.75 2.57 3.38 -1.03 -1.61 115.31 119.26 1yce h LEU 11 Ca 0.08 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.62 1yce h LEU 11 Cb 0.71 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1yce h LEU 11 CO 0.05 1.23 0.48 0.00 0.09 0.00 0.00 178.44 180.29 1yce h ALA 12 N 0.79 0.99 -0.39 1.53 0.00 -1.21 -1.64 119.26 119.33 1yce h ALA 12 Ca 0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1yce h ALA 12 Cb 1.08 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1yce h ALA 12 CO 0.11 0.28 -0.14 0.00 0.00 0.00 0.00 179.25 179.50 1yce h ALA 13 N 1.32 1.03 -0.73 0.00 0.00 -1.34 -2.72 119.26 116.80 1yce h ALA 13 Ca 0.30 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1yce h ALA 13 Cb 0.01 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1yce h ALA 13 CO -0.11 0.59 0.45 0.77 0.00 0.00 0.00 179.25 180.95 1yce h SER 14 N 0.64 0.87 -0.35 0.00 0.02 -0.89 0.19 113.55 114.03 1yce h SER 14 Ca 0.11 -0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 1yce h SER 14 Cb 0.60 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1yce h SER 14 CO 0.04 0.67 0.20 0.00 -1.14 0.00 0.00 176.83 176.60 1yce h ALA 15 N 1.24 0.44 -0.51 3.77 0.00 -1.15 -0.27 119.26 122.78 1yce h ALA 15 Ca 0.26 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1yce h ALA 15 Cb -0.05 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1yce h ALA 15 CO -0.05 -0.15 0.19 0.28 0.00 0.00 0.00 179.25 179.51 1yce h VAL 16 N 0.41 1.22 -0.65 0.00 2.07 -1.32 -2.64 116.25 115.34 1yce h VAL 16 Ca 0.14 -0.71 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1yce h VAL 16 Cb 0.01 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1yce h VAL 16 CO -0.07 0.26 0.37 1.23 0.02 0.00 0.00 177.57 179.39 1yce h GLY 17 N 0.68 0.97 0.87 2.17 0.00 -0.77 -1.89 103.07 105.11 1yce h GLY 17 Ca 0.17 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.07 1yce h GLY 17 CO -0.01 0.41 0.02 0.00 0.00 0.00 0.00 176.54 176.96 1yce h ALA 18 N 1.18 0.06 -0.86 3.60 0.00 -0.97 -1.87 119.26 120.42 1yce h ALA 18 Ca 0.23 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1yce h ALA 18 Cb 0.02 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1yce h ALA 18 CO -0.04 -0.37 0.49 0.78 0.00 0.00 0.00 179.25 180.12 1yce h GLY 19 N -0.06 1.26 0.97 0.00 0.00 -1.40 -2.82 103.07 101.02 1yce h GLY 19 Ca 0.02 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 1yce h GLY 19 CO -0.00 0.53 0.16 -0.84 0.00 0.00 0.00 176.54 176.38 1yce h THR 20 N 1.19 1.22 -0.75 4.70 2.02 -1.19 -2.88 112.91 117.23 1yce h THR 20 Ca 0.31 -0.74 0.10 0.00 0.77 0.00 0.00 66.41 66.84 1yce h THR 20 Cb -0.01 0.80 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 1yce h THR 20 CO -0.05 0.27 0.49 0.00 0.37 0.00 0.00 175.52 176.60 1yce h ALA 21 N 1.01 1.84 0.00 6.16 0.00 -1.09 -2.09 119.26 125.08 1yce h ALA 21 Ca 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1yce h ALA 21 Cb 0.26 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1yce h ALA 21 CO -0.01 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 177.92 1yce n MET 22 N -4.50 0.05 0.28 0.00 2.81 -1.09 -2.41 117.12 112.27 1yce n MET 22 Ca 0.13 0.32 0.11 0.00 -1.81 0.00 0.00 57.70 56.45 1yce n MET 22 Cb 0.35 -1.61 0.76 0.00 -0.71 0.00 0.00 33.22 32.01 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 0.79 -0.46 2.02 2.04 -1.46 -2.14 117.51 118.29 1yce h ILE 23 Ca 0.00 -0.01 0.13 0.00 1.00 0.00 0.00 64.86 65.99 1yce h ILE 23 Cb 0.26 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1yce h ILE 23 CO 0.00 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.60 1yce h ALA 24 N 2.00 2.22 0.00 1.87 0.00 -1.69 -2.46 119.26 121.20 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 0.00 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1yce h ALA 24 CO 0.00 -0.69 0.07 0.41 0.00 0.00 0.00 179.25 179.04 1yce n GLY 25 N -1.53 -0.66 0.29 0.00 0.00 -0.81 -1.86 105.19 100.63 1yce n GLY 25 Ca 0.09 0.11 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 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 1.20 0.86 -0.61 2.04 -1.69 -3.24 117.51 116.07 1yce h ILE 26 Ca 0.00 -0.44 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 1yce h ILE 26 Cb 0.14 0.18 0.01 0.00 -0.74 0.00 0.00 36.82 36.41 1yce h ILE 26 CO 0.00 0.21 -0.41 1.23 0.00 0.00 0.00 178.15 179.18 1yce h GLY 27 N 0.99 -1.21 0.33 5.37 0.00 -1.63 -2.55 103.07 104.38 1yce h GLY 27 Ca 0.26 0.45 0.16 0.00 0.00 0.00 0.00 47.33 48.20 1yce h GLY 27 CO -0.05 -0.44 0.62 -2.55 0.00 0.00 0.00 176.54 174.12 1yce h PRO 28 N -1.25 0.80 -0.72 4.80 0.11 -1.75 -1.48 132.00 132.51 1yce h PRO 28 Ca -0.12 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.95 1yce h PRO 28 Cb 0.89 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.79 1yce h PRO 28 CO 0.19 0.53 0.47 0.78 -0.21 0.00 0.00 178.00 179.76 1yce h GLY 29 N 0.82 1.01 0.66 -0.55 0.00 -1.54 0.03 103.07 103.50 1yce h GLY 29 Ca 0.52 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.45 1yce h GLY 29 CO -0.30 0.37 -0.17 -2.08 0.00 0.00 0.00 176.54 174.37 1yce h VAL 30 N 0.97 0.61 -0.38 4.60 2.07 -1.01 -2.80 116.25 120.32 1yce h VAL 30 Ca 0.26 -0.57 -0.05 0.00 0.82 0.00 0.00 66.70 67.17 1yce h VAL 30 Cb -0.11 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 1yce h VAL 30 CO -0.06 0.10 0.06 1.23 0.02 0.00 0.00 177.57 178.92 1yce h GLY 31 N -0.82 0.68 1.85 2.17 0.00 -1.25 -2.38 103.07 103.31 1yce h GLY 31 Ca -0.05 -0.45 -0.09 0.00 0.00 0.00 0.00 47.33 46.74 1yce h GLY 31 CO 0.08 0.42 -0.33 1.46 0.00 0.00 0.00 176.54 178.16 1yce h GLN 32 N 0.47 0.18 -0.38 4.80 4.20 -1.11 -2.16 115.11 121.10 1yce h GLN 32 Ca 0.11 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.62 1yce h GLN 32 Cb 0.37 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 1yce h GLN 32 CO 0.01 0.50 -0.31 0.78 -0.67 0.00 0.00 178.83 179.13 1yce h GLY 33 N 1.09 0.92 0.68 3.46 0.00 -1.31 -1.30 103.07 106.60 1yce h GLY 33 Ca 0.02 -0.87 0.01 0.00 0.00 0.00 0.00 47.33 46.49 1yce h GLY 33 CO 0.05 0.78 -0.24 -1.82 0.00 0.00 0.00 176.54 175.32 1yce h TYR 34 N 0.71 -0.62 -0.91 5.60 3.20 -1.20 -1.40 116.97 122.34 1yce h TYR 34 Ca 0.08 0.01 0.12 0.00 3.14 0.00 0.00 58.73 62.07 1yce h TYR 34 Cb 0.87 0.25 -0.07 0.00 1.54 0.00 0.00 36.73 39.32 1yce h TYR 34 CO 0.05 -0.34 0.59 0.00 -1.64 0.00 0.00 178.16 176.81 1yce h ALA 35 N 0.23 1.67 -0.53 1.82 0.00 -1.23 -1.00 119.26 120.23 1yce h ALA 35 Ca 0.01 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1yce h ALA 35 Cb 0.46 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1yce h ALA 35 CO -0.08 0.11 -0.03 0.00 0.00 0.00 0.00 179.25 179.25 1yce h ALA 36 N 1.57 0.96 -0.45 0.00 0.00 -0.97 -1.63 119.26 118.74 1yce h ALA 36 Ca 0.44 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1yce h ALA 36 Cb 0.52 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1yce h ALA 36 CO -0.20 0.62 0.10 0.78 0.00 0.00 0.00 179.25 180.55 1yce h GLY 37 N 0.99 0.78 1.19 0.00 0.00 -0.09 -1.64 103.07 104.29 1yce h GLY 37 Ca 0.15 -0.50 -0.05 0.00 0.00 0.00 0.00 47.33 46.94 1yce h GLY 37 CO 0.03 0.46 0.23 0.50 0.00 0.00 0.00 176.54 177.76 1yce h LYS 38 N 0.60 1.03 -0.75 4.80 1.79 -1.23 -2.21 116.57 120.60 1yce h LYS 38 Ca 0.14 -0.20 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 1yce h LYS 38 Cb 0.33 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.79 1yce h LYS 38 CO 0.00 0.86 0.32 0.00 -1.08 0.00 0.00 179.45 179.56 1yce h ALA 39 N 1.25 1.15 0.04 3.86 0.00 -1.03 0.13 119.26 124.65 1yce h ALA 39 Ca 0.22 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1yce h ALA 39 Cb 0.25 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1yce h ALA 39 CO -0.01 0.62 -0.02 0.28 0.00 0.00 0.00 179.25 180.12 1yce h VAL 40 N 1.08 1.06 0.00 0.00 2.07 -1.09 -0.56 116.25 118.81 1yce h VAL 40 Ca 0.25 -0.31 0.03 0.00 0.82 0.00 0.00 66.70 67.49 1yce h VAL 40 Cb 0.17 1.27 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1yce h VAL 40 CO -0.03 0.08 -0.27 -0.08 0.02 0.00 0.00 177.57 177.29 1yce h GLU 41 N -0.19 -0.40 -0.51 1.57 4.81 -1.34 -2.56 114.58 115.97 1yce h GLU 41 Ca -0.01 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1yce h GLU 41 Cb 0.17 0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.59 1yce h GLU 41 CO 0.01 -0.27 0.22 0.77 -0.73 0.00 0.00 179.01 179.01 1yce h SER 42 N -0.42 0.28 0.07 1.04 0.02 -0.68 -2.27 113.55 111.59 1yce h SER 42 Ca 0.06 0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 1yce h SER 42 Cb 0.50 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.03 1yce h SER 42 CO -0.24 0.19 -0.30 -0.37 -1.14 0.00 0.00 176.83 174.97 1yce h VAL 43 N 0.43 1.27 -0.44 2.27 -1.51 -1.04 0.11 116.25 117.34 1yce h VAL 43 Ca 0.24 -1.32 -0.08 0.00 -1.23 0.00 0.00 66.70 64.31 1yce h VAL 43 Cb 0.20 1.47 -0.02 0.00 -2.13 0.00 0.00 31.29 30.81 1yce h VAL 43 CO -0.20 0.41 -0.06 0.00 -1.23 0.00 0.00 177.57 176.48 1yce h ALA 44 N 1.37 1.06 0.00 5.19 0.00 -1.19 -2.60 119.26 123.09 1yce h ALA 44 Ca 0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1yce h ALA 44 Cb 0.70 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 1yce h ALA 44 CO 0.05 0.58 -0.45 0.00 0.00 0.00 0.00 179.25 179.43 1yce h ARG 45 N 0.70 0.00 -1.38 0.00 3.08 -1.15 -3.42 114.38 112.21 1yce h ARG 45 Ca 0.13 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.72 1yce h ARG 45 Cb 0.52 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 30.26 1yce h ARG 45 CO 0.03 0.12 -0.92 1.04 -1.07 0.00 0.00 179.97 179.17 1yce n GLN 46 N -3.01 0.73 -0.10 0.04 1.13 0.00 -5.01 117.38 111.17 1yce n GLN 46 Ca 0.02 -2.76 0.20 0.00 -1.94 0.00 0.00 57.00 52.51 1yce n GLN 46 Cb 0.60 -1.29 0.62 0.00 0.11 0.00 0.00 30.24 30.28 1yce n GLN 46 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1yce h PRO 47 N 3.99 0.17 -0.68 -1.09 0.11 -1.72 -0.54 132.00 132.24 1yce h PRO 47 Ca 0.00 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 66.17 1yce h PRO 47 Cb 0.93 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.96 1yce h PRO 47 CO 0.42 0.11 0.45 0.93 -0.21 0.00 0.00 178.00 179.70 1yce h GLU 48 N 0.17 0.63 -0.71 1.05 3.07 -1.95 -3.07 114.58 113.77 1yce h GLU 48 Ca 0.34 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 1yce h GLU 48 Cb 1.08 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 1yce h GLU 48 CO -0.06 0.42 0.00 0.00 -1.40 0.00 0.00 179.01 177.97 1yce n ALA 49 N -2.47 3.30 0.21 3.43 0.00 -0.21 -4.39 120.51 120.39 1yce n ALA 49 Ca 0.10 -1.18 0.05 0.00 0.00 0.00 0.00 53.44 52.41 1yce n ALA 49 Cb 0.26 -1.07 0.47 0.00 0.00 0.00 0.00 19.45 19.11 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 2.55 0.00 0.32 0.00 3.64 -1.62 0.13 116.57 121.59 1yce h LYS 50 Ca 0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1yce h LYS 50 Cb 1.37 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1yce h LYS 50 CO 0.29 0.24 -0.15 0.78 -2.27 0.00 0.00 179.45 178.33 1yce h GLY 51 N 0.75 -0.44 1.36 5.01 0.00 -1.86 -2.61 103.07 105.28 1yce h GLY 51 Ca -0.00 0.16 -0.10 0.00 0.00 0.00 0.00 47.33 47.39 1yce h GLY 51 CO 0.03 -0.16 -0.16 -0.55 0.00 0.00 0.00 176.54 175.70 1yce h ASP 52 N -0.74 0.74 0.24 0.19 3.32 -1.85 -1.97 116.42 116.35 1yce h ASP 52 Ca -0.04 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 56.77 1yce h ASP 52 Cb 0.50 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 1yce h ASP 52 CO 0.07 0.91 -0.27 0.40 -1.72 0.00 0.00 179.24 178.63 1yce h ILE 53 N 0.67 0.43 -0.37 0.35 2.04 -0.98 0.75 117.51 120.39 1yce h ILE 53 Ca 0.11 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.80 1yce h ILE 53 Cb 0.64 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 1yce h ILE 53 CO 0.04 0.00 -0.40 0.40 0.00 0.00 0.00 178.15 178.19 1yce h ILE 54 N -0.55 1.27 -0.47 -0.67 2.04 -1.45 0.12 117.51 117.80 1yce h ILE 54 Ca -0.00 -1.58 -0.11 0.00 1.00 0.00 0.00 64.86 64.17 1yce h ILE 54 Cb 0.52 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 1yce h ILE 54 CO -0.08 0.53 -0.16 0.77 0.00 0.00 0.00 178.15 179.21 1yce h SER 55 N 0.75 0.91 -0.53 1.72 4.64 -1.30 -1.54 113.55 118.20 1yce h SER 55 Ca 0.06 -0.31 -0.10 0.00 -0.47 0.00 0.00 61.79 60.96 1yce h SER 55 Cb 1.00 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.82 1yce h SER 55 CO 0.10 1.06 -0.07 0.74 -0.87 0.00 0.00 176.83 177.78 1yce h THR 56 N 0.80 1.27 -0.13 2.95 2.02 -0.76 -2.04 112.91 117.02 1yce h THR 56 Ca 0.12 -1.21 0.01 0.00 0.77 0.00 0.00 66.41 66.09 1yce h THR 56 Cb 0.69 0.97 -0.01 0.00 -1.74 0.00 0.00 68.15 68.06 1yce h THR 56 CO 0.05 0.43 0.06 -0.03 0.37 0.00 0.00 175.52 176.40 1yce h MET 57 N 0.86 0.12 -0.53 6.66 -1.53 -0.77 -1.97 114.93 117.77 1yce h MET 57 Ca 0.14 -0.01 -0.06 0.00 -3.44 0.00 0.00 59.70 56.33 1yce h MET 57 Cb 0.63 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.63 1yce h MET 57 CO 0.04 0.08 0.09 0.28 0.14 0.00 0.00 176.91 177.54 1yce h VAL 58 N 0.13 1.25 0.01 -5.77 2.07 -1.26 -0.33 116.25 112.35 1yce h VAL 58 Ca 0.05 -0.94 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 1yce h VAL 58 Cb 0.01 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1yce h VAL 58 CO -0.04 0.34 -0.01 0.25 0.02 0.00 0.00 177.57 178.13 1yce h LEU 59 N 0.75 -0.01 -0.67 2.57 6.46 -1.24 -0.59 115.31 122.58 1yce h LEU 59 Ca 0.16 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.80 1yce h LEU 59 Cb 0.39 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.31 1yce h LEU 59 CO 0.01 -0.01 -0.26 1.23 -0.62 0.00 0.00 178.44 178.79 1yce h GLY 60 N -0.02 0.81 1.07 3.75 0.00 -1.30 -2.47 103.07 104.92 1yce h GLY 60 Ca -0.00 -0.72 -0.08 0.00 0.00 0.00 0.00 47.33 46.54 1yce h GLY 60 CO 0.00 0.65 0.14 1.46 0.00 0.00 0.00 176.54 178.79 1yce h GLN 61 N 0.65 1.14 -0.39 4.80 4.20 -1.02 -2.61 115.11 121.87 1yce h GLN 61 Ca 0.08 -0.29 0.04 0.00 0.06 0.00 0.00 58.65 58.54 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 1.02 0.16 0.00 -0.67 0.00 0.00 178.83 179.40 1yce h ALA 62 N 1.07 0.47 -0.59 3.87 0.00 -0.82 -1.73 119.26 121.53 1yce h ALA 62 Ca 0.21 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1yce h ALA 62 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1yce h ALA 62 CO 0.01 -0.23 0.38 0.28 0.00 0.00 0.00 179.25 179.69 1yce h VAL 63 N 0.33 1.11 0.00 0.00 2.07 -1.38 -2.06 116.25 116.32 1yce h VAL 63 Ca 0.18 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1yce h VAL 63 Cb 0.14 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1yce h VAL 63 CO -0.17 0.14 0.00 0.00 0.02 0.00 0.00 177.57 177.56 1yce h ALA 64 N 1.24 1.00 0.00 1.67 0.00 -1.01 -2.84 119.26 119.31 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 -0.38 1.49 0.00 0.00 0.00 179.25 180.29 1yce h GLU 65 N 0.00 0.00 -0.99 0.00 4.57 -0.58 -3.40 114.58 114.18 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 0.20 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.71 1yce h GLU 65 CO 0.00 0.38 0.62 0.66 -1.18 0.00 0.00 179.01 179.50 1yce h SER 66 N 0.00 0.93 1.14 1.04 4.64 -1.55 -0.88 113.55 118.87 1yce h SER 66 Ca -0.00 0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.29 1yce h SER 66 Cb 1.18 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 1yce h SER 66 CO 0.05 0.52 -0.30 0.71 -0.87 0.00 0.00 176.83 176.94 1yce h THR 67 N 1.02 0.64 -0.43 2.95 1.35 -1.83 -0.82 112.91 115.78 1yce h THR 67 Ca 0.48 -1.46 -0.13 0.00 -0.55 0.00 0.00 66.41 64.75 1yce h THR 67 Cb 0.41 1.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.80 1yce h THR 67 CO -0.25 0.30 -0.24 1.23 -0.25 0.00 0.00 175.52 176.31 1yce h GLY 68 N 2.58 0.97 1.05 5.82 0.00 -1.45 -2.68 103.07 109.38 1yce h GLY 68 Ca -0.00 -0.87 -0.10 0.00 0.00 0.00 0.00 47.33 46.36 1yce h GLY 68 CO 0.04 0.79 -0.09 -2.22 0.00 0.00 0.00 176.54 175.05 1yce h ILE 69 N 0.77 1.27 -0.30 2.60 1.08 -1.06 -2.33 117.51 119.54 1yce h ILE 69 Ca 0.10 -1.23 0.01 0.00 -0.39 0.00 0.00 64.86 63.35 1yce h ILE 69 Cb 0.80 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.57 1yce h ILE 69 CO 0.07 0.43 0.19 1.88 -0.69 0.00 0.00 178.15 180.02 1yce h TYR 70 N 0.80 0.36 -0.33 1.37 0.05 -1.12 0.74 116.97 118.85 1yce h TYR 70 Ca 0.13 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.94 1yce h TYR 70 Cb 0.65 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 38.24 1yce h TYR 70 CO 0.05 0.22 0.17 0.77 -1.05 0.00 0.00 178.16 178.31 1yce h SER 71 N 0.39 0.25 -0.96 3.88 0.02 -1.49 -1.62 113.55 114.03 1yce h SER 71 Ca 0.11 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.12 1yce h SER 71 Cb -0.03 -0.04 -0.06 0.00 0.14 0.00 0.00 62.40 62.41 1yce h SER 71 CO -0.03 0.19 0.62 0.25 -1.14 0.00 0.00 176.83 176.72 1yce h LEU 72 N 0.35 1.01 -0.32 5.07 5.85 -0.90 0.35 115.31 126.71 1yce h LEU 72 Ca 0.13 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.80 1yce h LEU 72 Cb 0.04 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 1yce h LEU 72 CO -0.09 0.67 -0.00 0.58 -0.34 0.00 0.00 178.44 179.26 1yce h VAL 73 N 1.16 1.26 -0.55 1.05 2.07 -0.45 -1.27 116.25 119.52 1yce h VAL 73 Ca 0.40 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1yce h VAL 73 Cb 0.09 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1yce h VAL 73 CO -0.14 0.31 0.34 0.40 0.02 0.00 0.00 177.57 178.51 1yce h ILE 74 N 0.38 1.15 -0.66 4.57 1.08 -0.74 -0.70 117.51 122.60 1yce h ILE 74 Ca 0.09 -0.32 -0.00 0.00 -0.39 0.00 0.00 64.86 64.24 1yce h ILE 74 Cb 0.45 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 34.55 1yce h ILE 74 CO 0.02 0.15 0.39 0.00 -0.69 0.00 0.00 178.15 178.02 1yce h ALA 75 N 1.18 0.84 0.00 1.87 0.00 -0.82 -2.00 119.26 120.33 1yce h ALA 75 Ca 0.20 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1yce h ALA 75 Cb -0.05 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1yce h ALA 75 CO -0.04 0.32 -0.51 -0.07 0.00 0.00 0.00 179.25 178.94 1yce h LEU 76 N 0.89 0.00 0.12 0.00 3.38 -0.85 -1.71 115.31 117.15 1yce h LEU 76 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1yce h LEU 76 Cb -0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1yce h LEU 76 CO -0.04 0.51 -0.06 0.40 0.09 0.00 0.00 178.44 179.34 1yce h ILE 77 N 0.00 1.02 -0.85 1.22 2.04 -0.97 -0.24 117.51 119.73 1yce h ILE 77 Ca -0.01 -0.62 0.08 0.00 1.00 0.00 0.00 64.86 65.32 1yce h ILE 77 Cb 1.03 1.41 -0.06 0.00 -0.74 0.00 0.00 36.82 38.46 1yce h ILE 77 CO 0.07 0.15 0.56 -0.07 0.00 0.00 0.00 178.15 178.85 1yce h LEU 78 N -0.45 0.80 0.19 1.44 3.38 -1.21 0.46 115.31 119.92 1yce h LEU 78 Ca -0.02 0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 1yce h LEU 78 Cb 0.37 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.98 1yce h LEU 78 CO 0.03 0.49 -1.50 -0.07 0.09 0.00 0.00 178.44 177.48 1yce h LEU 79 N 0.89 0.64 0.00 1.67 3.38 -1.31 -3.39 115.31 117.20 1yce h LEU 79 Ca 0.38 -0.76 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1yce h LEU 79 Cb 0.31 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1yce h LEU 79 CO -0.15 1.61 -0.65 -1.22 0.09 0.00 0.00 178.44 178.13 1yce n TYR 80 N -3.61 0.00 -2.91 1.13 4.02 -0.11 -4.74 117.16 110.95 1yce n TYR 80 Ca -0.17 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.59 1yce n TYR 80 Cb 1.07 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 40.39 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 -1.33 2.79 -2.02 -0.72 0.00 0.09 -5.02 120.51 114.31 1yce n ALA 81 Ca -0.00 -3.29 -0.42 0.00 0.00 0.00 0.00 53.44 49.73 1yce n ALA 81 Cb 0.01 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.51 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 -2.81 6.68 0.00 0.00 3.84 -0.83 -4.67 114.94 117.15 1yce s ASN 82 Ca 0.34 2.23 0.28 0.00 0.21 0.00 0.00 52.86 55.92 1yce s ASN 82 Cb 0.41 -2.53 1.12 0.00 -0.55 0.00 0.00 41.25 39.69 1yce s ASN 82 CO -0.02 -0.92 1.84 -0.81 -2.79 0.00 0.00 177.10 174.41 1yce n PRO 83 N 7.04 0.02 0.04 0.43 -0.04 -1.26 -4.05 135.00 137.18 1yce n PRO 83 Ca 0.17 -0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.42 1yce n PRO 83 Cb 0.43 -1.50 -0.14 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 0.54 -0.39 0.54 0.05 -1.98 -3.37 116.94 112.34 1yce h PHE 84 Ca 0.00 -0.40 0.10 0.00 3.82 0.00 0.00 57.97 61.49 1yce h PHE 84 Cb 0.49 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.40 1yce h PHE 84 CO 0.00 1.65 0.27 -0.39 -0.18 0.00 0.00 178.31 179.66 1yce h VAL 85 N 0.08 0.84 0.00 -0.55 -1.51 -1.98 -1.09 116.25 112.05 1yce h VAL 85 Ca -0.36 -0.02 -0.03 0.00 -1.23 0.00 0.00 66.70 65.05 1yce h VAL 85 Cb 2.06 0.76 -0.00 0.00 -2.13 0.00 0.00 31.29 31.98 1yce h VAL 85 CO 0.13 0.01 -0.14 1.23 -1.23 0.00 0.00 177.57 177.58 1yce h GLY 86 N 0.07 0.00 1.94 5.19 0.00 -1.80 -3.17 103.07 105.31 1yce h GLY 86 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1yce h GLY 86 CO -0.01 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.57 1yce n LEU 87 N -3.14 0.00 -4.71 3.11 4.77 -0.42 -4.84 117.00 111.78 1yce n LEU 87 Ca 0.03 0.47 -0.41 0.00 -0.03 0.00 0.00 56.01 56.08 1yce n LEU 87 Cb 0.58 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1yce n LEU 87 CO 0.36 -0.08 0.54 -0.76 -1.33 0.00 0.00 177.39 176.12 1yce s LEU 88 N -2.94 4.32 0.00 2.23 1.43 -1.20 -5.14 118.68 117.38 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 -3.30 0.00 0.00 0.03 0.00 0.00 46.19 43.08 1yce s LEU 88 CO 0.43 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.41