#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 0.15 6.12 1.47 -1.26 -4.98 116.67 123.23 1yce s ASP 2 Ca 0.00 0.69 0.03 0.00 1.18 0.00 0.00 52.55 54.45 1yce s ASP 2 Cb 0.00 -1.42 -0.06 0.00 -0.34 0.00 0.00 42.92 41.10 1yce s ASP 2 CO 0.00 -1.48 1.34 -0.03 0.68 0.00 0.00 175.17 175.69 1yce h MET 3 N -0.58 0.14 -0.54 2.11 1.85 -2.03 -2.37 114.93 113.51 1yce h MET 3 Ca -0.45 -0.18 -0.11 0.00 -0.61 0.00 0.00 59.70 58.35 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 0.97 -0.10 1.25 -0.40 0.00 0.00 176.91 179.25 1yce h LEU 4 N 0.07 1.02 -0.62 3.39 5.85 -1.99 -1.65 115.31 121.37 1yce h LEU 4 Ca -0.04 -0.33 -0.04 0.00 0.84 0.00 0.00 57.88 58.31 1yce h LEU 4 Cb 1.60 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 1yce h LEU 4 CO 0.14 1.12 0.24 0.15 -0.34 0.00 0.00 178.44 179.74 1yce h PHE 5 N 0.91 0.95 0.11 1.25 -0.00 -1.94 -0.91 116.94 117.31 1yce h PHE 5 Ca 0.14 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.97 58.03 1yce h PHE 5 Cb 0.66 -0.28 0.00 0.00 -0.00 0.00 0.00 35.95 36.33 1yce h PHE 5 CO 0.04 0.76 -0.05 0.00 -0.00 0.00 0.00 178.31 179.06 1yce h ALA 6 N 1.09 -0.15 -0.51 2.41 0.00 -1.12 -2.08 119.26 118.91 1yce h ALA 6 Ca 0.20 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1yce h ALA 6 Cb 0.22 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1yce h ALA 6 CO -0.01 -0.58 0.28 0.87 0.00 0.00 0.00 179.25 179.81 1yce h LYS 7 N -0.15 0.71 -0.36 0.00 1.57 -1.30 -2.49 116.57 114.54 1yce h LYS 7 Ca -0.02 -0.08 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1yce h LYS 7 Cb 0.12 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.22 1yce h LYS 7 CO 0.03 0.54 -0.09 1.15 -0.57 0.00 0.00 179.45 180.51 1yce h THR 8 N 0.68 0.64 -0.03 -0.16 2.02 -0.96 -0.11 112.91 114.98 1yce h THR 8 Ca 0.18 -0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.19 1yce h THR 8 Cb 0.04 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1yce h THR 8 CO -0.03 0.00 -0.72 -0.37 0.37 0.00 0.00 175.52 174.77 1yce h VAL 9 N 0.00 1.44 -0.37 3.16 -1.51 -1.25 -1.25 116.25 116.47 1yce h VAL 9 Ca 0.17 -2.26 -0.11 0.00 -1.23 0.00 0.00 66.70 63.27 1yce h VAL 9 Cb 0.26 2.21 -0.01 0.00 -2.13 0.00 0.00 31.29 31.62 1yce h VAL 9 CO -0.37 0.66 -0.18 0.58 -1.23 0.00 0.00 177.57 177.03 1yce h VAL 10 N 0.13 1.28 -0.32 7.19 2.07 -1.23 -2.19 116.25 123.19 1yce h VAL 10 Ca -0.02 -1.31 -0.17 0.00 0.82 0.00 0.00 66.70 66.02 1yce h VAL 10 Cb 1.27 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1yce h VAL 10 CO 0.11 0.43 -0.48 -0.07 0.02 0.00 0.00 177.57 177.58 1yce h LEU 11 N 0.58 0.95 -0.74 2.57 3.38 -1.01 -1.72 115.31 119.32 1yce h LEU 11 Ca 0.08 -0.48 0.04 0.00 0.09 0.00 0.00 57.88 57.61 1yce h LEU 11 Cb 0.73 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1yce h LEU 11 CO 0.06 1.27 0.46 0.00 0.09 0.00 0.00 178.44 180.32 1yce h ALA 12 N 0.76 0.98 -0.40 1.53 0.00 -1.21 -1.54 119.26 119.38 1yce h ALA 12 Ca 0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1yce h ALA 12 Cb 1.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1yce h ALA 12 CO 0.11 0.24 -0.11 0.00 0.00 0.00 0.00 179.25 179.49 1yce h ALA 13 N 1.32 1.06 -0.76 0.00 0.00 -1.35 -2.74 119.26 116.79 1yce h ALA 13 Ca 0.30 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1yce h ALA 13 Cb 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1yce h ALA 13 CO -0.12 0.58 0.44 0.77 0.00 0.00 0.00 179.25 180.92 1yce h SER 14 N 0.64 0.92 -0.31 0.00 0.02 -0.90 0.11 113.55 114.02 1yce h SER 14 Ca 0.11 -0.07 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 1yce h SER 14 Cb 0.57 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.85 1yce h SER 14 CO 0.04 0.73 0.19 0.00 -1.14 0.00 0.00 176.83 176.64 1yce h ALA 15 N 1.23 0.39 -0.56 3.77 0.00 -1.12 -0.29 119.26 122.68 1yce h ALA 15 Ca 0.27 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1yce h ALA 15 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1yce h ALA 15 CO -0.05 -0.17 0.22 0.28 0.00 0.00 0.00 179.25 179.53 1yce h VAL 16 N 0.39 1.22 -0.65 0.00 2.07 -1.33 -2.63 116.25 115.32 1yce h VAL 16 Ca 0.12 -0.70 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 1yce h VAL 16 Cb -0.01 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1yce h VAL 16 CO -0.05 0.27 0.34 1.23 0.02 0.00 0.00 177.57 179.38 1yce h GLY 17 N 0.77 0.98 0.89 2.17 0.00 -0.80 -1.95 103.07 105.13 1yce h GLY 17 Ca 0.19 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.05 1yce h GLY 17 CO -0.01 0.44 -0.00 0.00 0.00 0.00 0.00 176.54 176.96 1yce h ALA 18 N 1.16 -0.01 -0.86 3.60 0.00 -0.97 -1.87 119.26 120.30 1yce h ALA 18 Ca 0.23 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1yce h ALA 18 Cb 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1yce h ALA 18 CO -0.03 -0.45 0.49 0.78 0.00 0.00 0.00 179.25 180.04 1yce h GLY 19 N -0.12 1.26 0.96 0.00 0.00 -1.41 -2.79 103.07 100.97 1yce h GLY 19 Ca -0.00 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 1yce h GLY 19 CO 0.00 0.53 0.17 -0.84 0.00 0.00 0.00 176.54 176.39 1yce h THR 20 N 1.19 1.22 -0.75 4.70 2.02 -1.22 -2.83 112.91 117.24 1yce h THR 20 Ca 0.31 -0.72 0.11 0.00 0.77 0.00 0.00 66.41 66.88 1yce h THR 20 Cb -0.01 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.13 1yce h THR 20 CO -0.05 0.26 0.49 0.00 0.37 0.00 0.00 175.52 176.60 1yce h ALA 21 N 1.02 1.89 0.00 6.16 0.00 -1.07 -2.07 119.26 125.19 1yce h ALA 21 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1yce h ALA 21 Cb 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1yce h ALA 21 CO -0.01 -0.07 0.00 -1.33 0.00 0.00 0.00 179.25 177.85 1yce n MET 22 N -4.50 0.06 0.27 0.00 2.81 -1.07 -2.40 117.12 112.30 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 0.39 -1.62 0.75 0.00 -0.71 0.00 0.00 33.22 32.02 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 0.80 -0.49 2.02 2.04 -1.45 -2.13 117.51 118.30 1yce h ILE 23 Ca 0.00 -0.06 0.14 0.00 1.00 0.00 0.00 64.86 65.94 1yce h ILE 23 Cb 0.27 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 1yce h ILE 23 CO 0.00 0.02 0.49 0.00 0.00 0.00 0.00 178.15 178.65 1yce h ALA 24 N 1.98 2.24 0.00 1.87 0.00 -1.69 -2.51 119.26 121.15 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 0.04 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1yce h ALA 24 CO 0.00 -0.74 0.03 0.41 0.00 0.00 0.00 179.25 178.95 1yce n GLY 25 N -1.53 -0.70 0.29 0.00 0.00 -0.80 -1.89 105.19 100.57 1yce n GLY 25 Ca 0.09 0.12 -0.05 0.00 0.00 0.00 0.00 46.02 46.18 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 0.88 -0.61 2.04 -1.69 -3.25 117.51 116.08 1yce h ILE 26 Ca 0.00 -0.39 -0.04 0.00 1.00 0.00 0.00 64.86 65.43 1yce h ILE 26 Cb 0.05 0.11 0.01 0.00 -0.74 0.00 0.00 36.82 36.26 1yce h ILE 26 CO 0.00 0.20 -0.42 1.23 0.00 0.00 0.00 178.15 179.16 1yce h GLY 27 N 1.02 -1.23 0.46 5.37 0.00 -1.64 -2.53 103.07 104.52 1yce h GLY 27 Ca 0.27 0.46 0.14 0.00 0.00 0.00 0.00 47.33 48.20 1yce h GLY 27 CO -0.06 -0.45 0.61 -2.55 0.00 0.00 0.00 176.54 174.09 1yce h PRO 28 N -1.22 0.82 -0.69 4.80 0.11 -1.75 -1.45 132.00 132.61 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 0.91 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.80 1yce h PRO 28 CO 0.20 0.54 0.46 0.78 -0.21 0.00 0.00 178.00 179.77 1yce h GLY 29 N 0.84 0.98 0.72 -0.55 0.00 -1.54 0.08 103.07 103.59 1yce h GLY 29 Ca 0.48 -0.36 -0.02 0.00 0.00 0.00 0.00 47.33 47.43 1yce h GLY 29 CO -0.25 0.36 -0.19 -2.08 0.00 0.00 0.00 176.54 174.37 1yce h VAL 30 N 0.94 0.54 -0.38 4.60 2.07 -1.00 -2.83 116.25 120.20 1yce h VAL 30 Ca 0.25 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.25 1yce h VAL 30 Cb -0.11 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1yce h VAL 30 CO -0.05 0.08 0.02 1.23 0.02 0.00 0.00 177.57 178.86 1yce h GLY 31 N -0.84 0.70 1.82 2.17 0.00 -1.24 -2.41 103.07 103.28 1yce h GLY 31 Ca -0.06 -0.50 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 1yce h GLY 31 CO 0.09 0.46 -0.30 1.46 0.00 0.00 0.00 176.54 178.25 1yce h GLN 32 N 0.48 0.21 -0.44 4.80 4.20 -1.11 -2.22 115.11 121.04 1yce h GLN 32 Ca 0.11 -0.08 -0.13 0.00 0.06 0.00 0.00 58.65 58.61 1yce h GLN 32 Cb 0.43 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1yce h GLN 32 CO 0.02 0.49 -0.25 0.78 -0.67 0.00 0.00 178.83 179.20 1yce h GLY 33 N 1.03 1.00 0.70 3.46 0.00 -1.32 -1.32 103.07 106.62 1yce h GLY 33 Ca 0.03 -0.90 0.01 0.00 0.00 0.00 0.00 47.33 46.46 1yce h GLY 33 CO 0.05 0.82 -0.22 -1.82 0.00 0.00 0.00 176.54 175.36 1yce h TYR 34 N 0.78 -0.59 -0.93 5.60 3.20 -1.22 -1.34 116.97 122.48 1yce h TYR 34 Ca 0.10 0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.08 1yce h TYR 34 Cb 0.82 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 39.25 1yce h TYR 34 CO 0.05 -0.33 0.59 0.00 -1.64 0.00 0.00 178.16 176.84 1yce h ALA 35 N 0.26 1.62 -0.61 1.82 0.00 -1.24 -1.09 119.26 120.02 1yce h ALA 35 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1yce h ALA 35 Cb 0.45 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1yce h ALA 35 CO -0.07 0.17 0.10 0.00 0.00 0.00 0.00 179.25 179.45 1yce h ALA 36 N 1.55 1.02 -0.45 0.00 0.00 -0.99 -1.61 119.26 118.77 1yce h ALA 36 Ca 0.44 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 1yce h ALA 36 Cb 0.46 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1yce h ALA 36 CO -0.20 0.63 0.15 0.78 0.00 0.00 0.00 179.25 180.60 1yce h GLY 37 N 1.03 0.75 1.22 0.00 0.00 -0.06 -1.63 103.07 104.38 1yce h GLY 37 Ca 0.19 -0.44 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 1yce h GLY 37 CO 0.01 0.41 0.20 0.50 0.00 0.00 0.00 176.54 177.66 1yce h LYS 38 N 0.59 0.98 -0.84 4.80 1.79 -1.22 -1.99 116.57 120.69 1yce h LYS 38 Ca 0.15 -0.20 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 1yce h LYS 38 Cb 0.26 -0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.72 1yce h LYS 38 CO -0.01 0.84 0.40 0.00 -1.08 0.00 0.00 179.45 179.61 1yce h ALA 39 N 1.27 1.13 0.07 3.86 0.00 -1.03 -1.91 119.26 122.64 1yce h ALA 39 Ca 0.21 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1yce h ALA 39 Cb 0.28 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1yce h ALA 39 CO -0.01 0.66 -0.04 0.28 0.00 0.00 0.00 179.25 180.14 1yce h VAL 40 N 1.19 1.04 -0.50 0.00 2.07 -1.08 -2.16 116.25 116.81 1yce h VAL 40 Ca 0.29 -0.38 0.08 0.00 0.82 0.00 0.00 66.70 67.51 1yce h VAL 40 Cb 0.12 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1yce h VAL 40 CO -0.04 0.09 0.34 -0.08 0.02 0.00 0.00 177.57 177.91 1yce h GLU 41 N -0.27 0.33 0.04 1.57 4.81 -1.30 -2.87 114.58 116.89 1yce h GLU 41 Ca -0.01 -0.02 -0.29 0.00 -0.13 0.00 0.00 59.36 58.91 1yce h GLU 41 Cb 0.23 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 1yce h GLU 41 CO 0.02 0.22 -1.64 0.77 -0.73 0.00 0.00 179.01 177.65 1yce h SER 42 N 0.34 0.12 -0.46 1.04 0.02 -1.24 -3.19 113.55 110.18 1yce h SER 42 Ca 0.23 -0.22 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1yce h SER 42 Cb 0.45 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1yce h SER 42 CO -0.05 1.19 -0.18 -0.37 -1.14 0.00 0.00 176.83 176.28 1yce h VAL 43 N 0.02 1.27 -0.72 2.27 -1.51 -1.33 0.22 116.25 116.47 1yce h VAL 43 Ca -0.27 -1.34 -0.05 0.00 -1.23 0.00 0.00 66.70 63.82 1yce h VAL 43 Cb 1.99 1.08 -0.03 0.00 -2.13 0.00 0.00 31.29 32.20 1yce h VAL 43 CO 0.10 0.46 0.25 0.00 -1.23 0.00 0.00 177.57 177.15 1yce h ALA 44 N 0.94 0.94 -0.10 5.19 0.00 -1.62 -1.42 119.26 123.19 1yce h ALA 44 Ca 0.12 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1yce h ALA 44 Cb 0.74 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1yce h ALA 44 CO 0.06 0.60 -0.01 0.00 0.00 0.00 0.00 179.25 179.89 1yce h ARG 45 N 1.05 0.19 -2.25 0.00 3.08 -1.53 -3.40 114.38 111.52 1yce h ARG 45 Ca 0.24 -0.07 -0.58 0.00 0.07 0.00 0.00 59.98 59.64 1yce h ARG 45 Cb 0.27 -0.01 -0.42 0.00 0.08 0.00 0.00 29.97 29.88 1yce h ARG 45 CO -0.01 0.47 -0.70 1.04 -1.07 0.00 0.00 179.97 179.70 1yce n GLN 46 N -4.79 2.92 0.10 0.04 1.13 0.06 -4.92 117.38 111.93 1yce n GLN 46 Ca -0.06 -4.68 0.19 0.00 -1.94 0.00 0.00 57.00 50.51 1yce n GLN 46 Cb 0.22 -2.17 0.60 0.00 0.11 0.00 0.00 30.24 29.00 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 3.08 0.00 0.00 -1.09 0.11 -1.48 0.88 132.00 133.49 1yce h PRO 47 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1yce h PRO 47 Cb 0.57 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.68 1yce h PRO 47 CO 0.78 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.50 1yce h GLU 48 N 0.00 0.00 -0.48 1.05 3.07 -1.91 -3.05 114.58 113.26 1yce h GLU 48 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1yce h GLU 48 Cb 1.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.45 1yce h GLU 48 CO -0.00 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.61 1yce n ALA 49 N -1.81 3.01 -0.29 3.43 0.00 0.30 -4.68 120.51 120.48 1yce n ALA 49 Ca 0.05 -1.77 0.05 0.00 0.00 0.00 0.00 53.44 51.77 1yce n ALA 49 Cb 0.43 -0.84 0.19 0.00 0.00 0.00 0.00 19.45 19.23 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 3.08 0.69 0.00 0.00 3.64 -1.66 -1.38 116.57 120.94 1yce h LYS 50 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1yce h LYS 50 Cb 1.40 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 1yce h LYS 50 CO 0.23 0.45 0.00 0.41 -2.27 0.00 0.00 179.45 178.27 1yce n GLY 51 N -1.32 -2.71 0.30 5.01 0.00 -1.26 -1.37 105.19 103.84 1yce n GLY 51 Ca 0.15 0.57 0.07 0.00 0.00 0.00 0.00 46.02 46.81 1yce n GLY 51 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yce h ASP 52 N 0.00 -0.54 0.48 1.61 3.32 -1.82 -2.12 116.42 117.35 1yce h ASP 52 Ca 0.00 0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.26 1yce h ASP 52 Cb 0.00 0.44 0.00 0.00 0.22 0.00 0.00 39.33 40.00 1yce h ASP 52 CO 0.00 -0.26 -0.24 0.40 -1.72 0.00 0.00 179.24 177.42 1yce h ILE 53 N 0.04 0.50 -0.38 0.35 2.04 -0.95 0.00 117.51 119.12 1yce h ILE 53 Ca 0.45 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 66.16 1yce h ILE 53 Cb 0.80 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 1yce h ILE 53 CO -0.80 0.00 -0.38 0.40 0.00 0.00 0.00 178.15 177.37 1yce h ILE 54 N -0.66 1.27 -0.58 -0.67 2.04 -1.09 0.02 117.51 117.84 1yce h ILE 54 Ca -0.06 -1.55 -0.10 0.00 1.00 0.00 0.00 64.86 64.14 1yce h ILE 54 Cb 0.52 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 1yce h ILE 54 CO 0.10 0.52 -0.04 0.77 0.00 0.00 0.00 178.15 179.50 1yce h SER 55 N 0.75 1.03 -0.55 1.72 4.64 -1.35 -1.46 113.55 118.33 1yce h SER 55 Ca 0.06 -0.31 -0.11 0.00 -0.47 0.00 0.00 61.79 60.96 1yce h SER 55 Cb 0.97 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 1yce h SER 55 CO 0.09 1.10 -0.07 0.74 -0.87 0.00 0.00 176.83 177.83 1yce h THR 56 N 0.95 1.27 -0.13 2.95 2.02 -0.92 -2.00 112.91 117.05 1yce h THR 56 Ca 0.16 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 66.12 1yce h THR 56 Cb 0.60 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1yce h THR 56 CO 0.04 0.43 0.08 -0.03 0.37 0.00 0.00 175.52 176.41 1yce h MET 57 N 0.90 0.17 -0.55 6.66 -1.53 -0.78 -1.94 114.93 117.86 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 0.63 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.62 1yce h MET 57 CO 0.04 0.12 0.13 0.28 0.14 0.00 0.00 176.91 177.63 1yce h VAL 58 N 0.16 1.25 -0.05 -5.77 2.07 -1.24 -0.15 116.25 112.51 1yce h VAL 58 Ca 0.05 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.69 1yce h VAL 58 Cb -0.01 0.77 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1yce h VAL 58 CO -0.01 0.32 0.03 0.25 0.02 0.00 0.00 177.57 178.18 1yce h LEU 59 N 0.77 0.04 -0.63 2.57 6.46 -1.24 -0.27 115.31 123.01 1yce h LEU 59 Ca 0.17 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.80 1yce h LEU 59 Cb 0.34 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 1yce h LEU 59 CO 0.00 0.03 -0.31 1.23 -0.62 0.00 0.00 178.44 178.77 1yce h GLY 60 N 0.06 0.79 1.08 3.75 0.00 -1.29 -2.48 103.07 104.99 1yce h GLY 60 Ca 0.02 -0.74 -0.08 0.00 0.00 0.00 0.00 47.33 46.53 1yce h GLY 60 CO -0.01 0.67 0.12 1.46 0.00 0.00 0.00 176.54 178.77 1yce h GLN 61 N 0.62 1.12 -0.48 4.80 4.20 -0.98 -2.64 115.11 121.75 1yce h GLN 61 Ca 0.07 -0.29 0.04 0.00 0.06 0.00 0.00 58.65 58.52 1yce h GLN 61 Cb 0.84 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.44 1yce h GLN 61 CO 0.07 1.01 0.25 0.00 -0.67 0.00 0.00 178.83 179.49 1yce h ALA 62 N 1.07 0.60 -0.53 3.87 0.00 -0.75 -1.67 119.26 121.85 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 0.43 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1yce h ALA 62 CO 0.01 -0.10 0.33 0.28 0.00 0.00 0.00 179.25 179.78 1yce h VAL 63 N 0.49 1.09 0.00 0.00 2.07 -1.39 -2.13 116.25 116.38 1yce h VAL 63 Ca 0.21 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1yce h VAL 63 Cb 0.10 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1yce h VAL 63 CO -0.14 0.12 0.00 0.00 0.02 0.00 0.00 177.57 177.57 1yce h ALA 64 N 1.22 1.00 0.00 1.67 0.00 -1.04 -2.86 119.26 119.25 1yce h ALA 64 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 1yce h ALA 64 Cb -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 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 -0.97 0.00 4.57 -0.61 -3.40 114.58 114.17 1yce h GLU 65 Ca 0.00 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.30 1yce h GLU 65 Cb 0.19 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.70 1yce h GLU 65 CO 0.00 0.39 0.59 0.66 -1.18 0.00 0.00 179.01 179.47 1yce h SER 66 N 0.00 0.86 1.05 1.04 4.64 -1.56 -0.98 113.55 118.59 1yce h SER 66 Ca -0.00 0.05 -0.07 0.00 -0.47 0.00 0.00 61.79 61.30 1yce h SER 66 Cb 1.16 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1yce h SER 66 CO 0.05 0.45 -0.34 0.71 -0.87 0.00 0.00 176.83 176.83 1yce h THR 67 N 0.93 0.74 -0.43 2.95 1.35 -1.83 -0.89 112.91 115.72 1yce h THR 67 Ca 0.48 -1.52 -0.13 0.00 -0.55 0.00 0.00 66.41 64.69 1yce h THR 67 Cb 0.50 1.99 -0.01 0.00 -1.73 0.00 0.00 68.15 68.89 1yce h THR 67 CO -0.27 0.33 -0.26 1.23 -0.25 0.00 0.00 175.52 176.30 1yce h GLY 68 N 2.44 0.98 1.02 5.82 0.00 -1.46 -2.63 103.07 109.23 1yce h GLY 68 Ca -0.00 -0.89 -0.08 0.00 0.00 0.00 0.00 47.33 46.36 1yce h GLY 68 CO 0.04 0.81 -0.01 -2.22 0.00 0.00 0.00 176.54 175.16 1yce h ILE 69 N 0.77 1.26 -0.23 2.60 1.08 -1.07 -2.38 117.51 119.55 1yce h ILE 69 Ca 0.09 -1.10 0.01 0.00 -0.39 0.00 0.00 64.86 63.48 1yce h ILE 69 Cb 0.82 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 35.52 1yce h ILE 69 CO 0.07 0.39 0.12 1.88 -0.69 0.00 0.00 178.15 179.91 1yce h TYR 70 N 0.76 0.22 -0.37 1.37 0.05 -1.13 0.52 116.97 118.39 1yce h TYR 70 Ca 0.14 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.96 1yce h TYR 70 Cb 0.53 -0.07 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 1yce h TYR 70 CO 0.04 0.13 0.19 0.77 -1.05 0.00 0.00 178.16 178.24 1yce h SER 71 N 0.25 0.28 -0.97 3.88 0.02 -1.48 -1.55 113.55 113.98 1yce h SER 71 Ca 0.09 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.12 1yce h SER 71 Cb 0.02 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.45 1yce h SER 71 CO -0.06 0.21 0.62 0.25 -1.14 0.00 0.00 176.83 176.71 1yce h LEU 72 N 0.39 0.99 -0.31 5.07 5.85 -0.90 0.05 115.31 126.46 1yce h LEU 72 Ca 0.16 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.83 1yce h LEU 72 Cb 0.06 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 1yce h LEU 72 CO -0.10 0.63 -0.02 0.58 -0.34 0.00 0.00 178.44 179.19 1yce h VAL 73 N 1.13 1.26 -0.58 1.05 2.07 -0.47 -1.25 116.25 119.47 1yce h VAL 73 Ca 0.42 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.95 1yce h VAL 73 Cb 0.16 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 1yce h VAL 73 CO -0.17 0.32 0.38 0.40 0.02 0.00 0.00 177.57 178.52 1yce h ILE 74 N 0.34 1.15 -0.67 4.57 1.08 -0.78 -0.73 117.51 122.47 1yce h ILE 74 Ca 0.08 -0.28 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1yce h ILE 74 Cb 0.47 0.31 -0.03 0.00 -3.07 0.00 0.00 36.82 34.50 1yce h ILE 74 CO 0.02 0.14 0.39 0.00 -0.69 0.00 0.00 178.15 178.01 1yce h ALA 75 N 1.21 0.85 0.00 1.87 0.00 -0.88 -1.95 119.26 120.35 1yce h ALA 75 Ca 0.21 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1yce h ALA 75 Cb -0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 1yce h ALA 75 CO -0.05 0.34 -0.53 -0.07 0.00 0.00 0.00 179.25 178.95 1yce h LEU 76 N 0.91 0.00 0.11 0.00 3.38 -0.87 -1.76 115.31 117.08 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 -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1yce h LEU 76 CO -0.04 0.53 -0.05 0.40 0.09 0.00 0.00 178.44 179.36 1yce h ILE 77 N 0.00 1.04 -0.90 1.22 2.04 -0.97 -0.34 117.51 119.60 1yce h ILE 77 Ca -0.01 -0.63 0.09 0.00 1.00 0.00 0.00 64.86 65.31 1yce h ILE 77 Cb 1.02 1.44 -0.06 0.00 -0.74 0.00 0.00 36.82 38.48 1yce h ILE 77 CO 0.07 0.15 0.58 -0.07 0.00 0.00 0.00 178.15 178.89 1yce h LEU 78 N -0.45 0.84 0.17 1.44 3.38 -1.19 0.36 115.31 119.87 1yce h LEU 78 Ca -0.02 0.02 -0.32 0.00 0.09 0.00 0.00 57.88 57.66 1yce h LEU 78 Cb 0.37 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.97 1yce h LEU 78 CO 0.03 0.51 -1.51 -0.07 0.09 0.00 0.00 178.44 177.48 1yce h LEU 79 N 0.94 0.55 0.00 1.67 3.38 -1.31 -3.39 115.31 117.15 1yce h LEU 79 Ca 0.41 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1yce h LEU 79 Cb 0.35 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1yce h LEU 79 CO -0.17 1.56 -0.59 -1.22 0.09 0.00 0.00 178.44 178.11 1yce n TYR 80 N -3.56 0.00 -2.95 1.13 4.02 -0.14 -4.74 117.16 110.92 1yce n TYR 80 Ca -0.17 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.58 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 -1.29 2.65 -1.95 -0.72 0.00 0.05 -5.02 120.51 114.23 1yce n ALA 81 Ca 0.00 -3.28 -0.42 0.00 0.00 0.00 0.00 53.44 49.73 1yce n ALA 81 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.74 6.60 0.00 0.00 3.84 -0.82 -4.67 114.94 117.16 1yce s ASN 82 Ca 0.34 2.28 0.28 0.00 0.21 0.00 0.00 52.86 55.97 1yce s ASN 82 Cb 0.40 -2.53 1.14 0.00 -0.55 0.00 0.00 41.25 39.71 1yce s ASN 82 CO -0.03 -0.98 1.86 -0.81 -2.79 0.00 0.00 177.10 174.35 1yce n PRO 83 N 7.24 0.06 0.04 0.43 -0.04 -1.26 -4.06 135.00 137.40 1yce n PRO 83 Ca 0.18 -0.01 -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 0.02 0.54 -0.39 0.54 0.05 -1.98 -3.37 116.94 112.35 1yce h PHE 84 Ca 0.00 -0.39 0.10 0.00 3.82 0.00 0.00 57.97 61.50 1yce h PHE 84 Cb 0.48 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.39 1yce h PHE 84 CO 0.00 1.66 0.28 -0.39 -0.18 0.00 0.00 178.31 179.67 1yce h VAL 85 N 0.08 0.84 0.00 -0.55 -1.51 -1.98 -1.06 116.25 112.07 1yce h VAL 85 Ca -0.37 -0.02 -0.03 0.00 -1.23 0.00 0.00 66.70 65.05 1yce h VAL 85 Cb 2.06 0.77 -0.00 0.00 -2.13 0.00 0.00 31.29 31.98 1yce h VAL 85 CO 0.13 0.01 -0.15 1.23 -1.23 0.00 0.00 177.57 177.56 1yce h GLY 86 N 0.06 0.00 1.92 5.19 0.00 -1.80 -3.17 103.07 105.28 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 -0.41 -4.84 117.00 111.78 1yce n LEU 87 Ca 0.03 0.46 -0.41 0.00 -0.03 0.00 0.00 56.01 56.06 1yce n LEU 87 Cb 0.58 -0.46 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1yce n LEU 87 CO 0.36 -0.07 0.55 -0.76 -1.33 0.00 0.00 177.39 176.14 1yce s LEU 88 N -2.92 4.32 0.00 2.23 1.43 -1.20 -5.14 118.68 117.40 1yce s LEU 88 Ca 0.14 1.39 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 1yce s LEU 88 Cb 0.16 -3.32 0.00 0.00 0.03 0.00 0.00 46.19 43.07 1yce s LEU 88 CO 0.44 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.41