#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 5.07 0.15 6.12 1.47 -1.26 -4.98 116.67 123.24 1yce s ASP 2 Ca 0.00 0.72 0.02 0.00 1.18 0.00 0.00 52.55 54.48 1yce s ASP 2 Cb 0.00 -1.46 -0.08 0.00 -0.34 0.00 0.00 42.92 41.05 1yce s ASP 2 CO 0.00 -1.47 1.33 -0.03 0.68 0.00 0.00 175.17 175.67 1yce h MET 3 N -0.60 0.17 -0.60 2.11 1.85 -2.03 -2.41 114.93 113.41 1yce h MET 3 Ca -0.45 -0.21 -0.10 0.00 -0.61 0.00 0.00 59.70 58.33 1yce h MET 3 Cb 1.29 0.07 -0.02 0.00 0.43 0.00 0.00 31.60 33.37 1yce h MET 3 CO 0.62 0.99 -0.02 1.25 -0.40 0.00 0.00 176.91 179.36 1yce h LEU 4 N 0.08 1.05 -0.59 3.39 5.85 -1.99 -1.65 115.31 121.45 1yce h LEU 4 Ca -0.05 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.32 1yce h LEU 4 Cb 1.61 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 1yce h LEU 4 CO 0.14 1.11 0.23 0.15 -0.34 0.00 0.00 178.44 179.74 1yce h PHE 5 N 0.97 0.91 0.11 1.25 -0.00 -1.94 -0.79 116.94 117.45 1yce h PHE 5 Ca 0.17 -0.07 -0.00 0.00 -0.00 0.00 0.00 57.97 58.07 1yce h PHE 5 Cb 0.58 -0.27 -0.00 0.00 -0.00 0.00 0.00 35.95 36.26 1yce h PHE 5 CO 0.04 0.73 -0.06 0.00 -0.00 0.00 0.00 178.31 179.02 1yce h ALA 6 N 1.08 -0.16 -0.48 2.41 0.00 -1.14 -2.05 119.26 118.93 1yce h ALA 6 Ca 0.20 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 1yce h ALA 6 Cb 0.21 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1yce h ALA 6 CO -0.02 -0.59 0.29 0.87 0.00 0.00 0.00 179.25 179.80 1yce h LYS 7 N -0.16 0.65 -0.37 0.00 1.57 -1.29 -2.53 116.57 114.44 1yce h LYS 7 Ca -0.01 -0.06 0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1yce h LYS 7 Cb 0.14 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 1yce h LYS 7 CO 0.01 0.47 -0.10 1.15 -0.57 0.00 0.00 179.45 180.42 1yce h THR 8 N 0.64 0.62 -0.02 -0.16 2.02 -0.93 -0.11 112.91 114.96 1yce h THR 8 Ca 0.17 0.00 -0.17 0.00 0.77 0.00 0.00 66.41 67.19 1yce h THR 8 Cb -0.01 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 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 -0.01 1.46 -0.38 3.16 -1.51 -1.24 -1.22 116.25 116.51 1yce h VAL 9 Ca 0.18 -2.33 -0.11 0.00 -1.23 0.00 0.00 66.70 63.21 1yce h VAL 9 Cb 0.28 2.25 -0.01 0.00 -2.13 0.00 0.00 31.29 31.68 1yce h VAL 9 CO -0.39 0.68 -0.19 0.58 -1.23 0.00 0.00 177.57 177.02 1yce h VAL 10 N 0.11 1.28 -0.30 7.19 2.07 -1.20 -2.22 116.25 123.18 1yce h VAL 10 Ca -0.02 -1.32 -0.18 0.00 0.82 0.00 0.00 66.70 66.00 1yce h VAL 10 Cb 1.29 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1yce h VAL 10 CO 0.11 0.44 -0.53 -0.07 0.02 0.00 0.00 177.57 177.54 1yce h LEU 11 N 0.60 0.97 -0.65 2.57 3.38 -1.00 -1.58 115.31 119.59 1yce h LEU 11 Ca 0.08 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.59 1yce h LEU 11 Cb 0.74 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 1yce h LEU 11 CO 0.06 1.31 0.37 0.00 0.09 0.00 0.00 178.44 180.27 1yce h ALA 12 N 0.71 0.87 -0.44 1.53 0.00 -1.21 -1.60 119.26 119.12 1yce h ALA 12 Ca 0.02 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1yce h ALA 12 Cb 1.14 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 1yce h ALA 12 CO 0.12 0.07 -0.05 0.00 0.00 0.00 0.00 179.25 179.39 1yce h ALA 13 N 1.32 1.09 -0.76 0.00 0.00 -1.35 -2.71 119.26 116.86 1yce h ALA 13 Ca 0.28 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1yce h ALA 13 Cb 0.14 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1yce h ALA 13 CO -0.16 0.57 0.41 0.77 0.00 0.00 0.00 179.25 180.84 1yce h SER 14 N 0.69 0.95 -0.34 0.00 0.02 -0.87 -0.03 113.55 113.96 1yce h SER 14 Ca 0.13 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 1yce h SER 14 Cb 0.50 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1yce h SER 14 CO 0.03 0.78 0.19 0.00 -1.14 0.00 0.00 176.83 176.68 1yce h ALA 15 N 1.21 0.42 -0.51 3.77 0.00 -1.13 -0.18 119.26 122.84 1yce h ALA 15 Ca 0.27 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1yce h ALA 15 Cb 0.04 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1yce h ALA 15 CO -0.04 -0.17 0.20 0.28 0.00 0.00 0.00 179.25 179.52 1yce h VAL 16 N 0.39 1.22 -0.64 0.00 2.07 -1.33 -2.62 116.25 115.34 1yce h VAL 16 Ca 0.14 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1yce h VAL 16 Cb 0.02 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 1yce h VAL 16 CO -0.08 0.25 0.35 1.23 0.02 0.00 0.00 177.57 179.35 1yce h GLY 17 N 0.69 0.96 0.89 2.17 0.00 -0.82 -1.84 103.07 105.12 1yce h GLY 17 Ca 0.17 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.06 1yce h GLY 17 CO -0.01 0.42 0.04 0.00 0.00 0.00 0.00 176.54 176.99 1yce h ALA 18 N 1.17 0.11 -0.86 3.60 0.00 -0.95 -1.88 119.26 120.45 1yce h ALA 18 Ca 0.23 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1yce h ALA 18 Cb 0.04 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1yce h ALA 18 CO -0.04 -0.32 0.48 0.78 0.00 0.00 0.00 179.25 180.15 1yce h GLY 19 N 0.01 1.28 0.95 0.00 0.00 -1.39 -2.85 103.07 101.07 1yce h GLY 19 Ca 0.03 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 1yce h GLY 19 CO -0.00 0.55 0.16 -0.84 0.00 0.00 0.00 176.54 176.40 1yce h THR 20 N 1.20 1.21 -0.82 4.70 2.02 -1.20 -2.85 112.91 117.17 1yce h THR 20 Ca 0.30 -0.66 0.12 0.00 0.77 0.00 0.00 66.41 66.95 1yce h THR 20 Cb 0.02 0.84 -0.06 0.00 -1.74 0.00 0.00 68.15 67.20 1yce h THR 20 CO -0.05 0.24 0.54 0.00 0.37 0.00 0.00 175.52 176.62 1yce h ALA 21 N 1.00 1.86 0.00 6.16 0.00 -1.11 -2.02 119.26 125.15 1yce h ALA 21 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1yce h ALA 21 Cb 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1yce h ALA 21 CO -0.01 -0.06 0.00 -1.33 0.00 0.00 0.00 179.25 177.85 1yce n MET 22 N -4.52 0.09 0.22 0.00 2.81 -1.08 -2.41 117.12 112.24 1yce n MET 22 Ca 0.15 0.37 0.12 0.00 -1.81 0.00 0.00 57.70 56.53 1yce n MET 22 Cb 0.42 -1.69 0.70 0.00 -0.71 0.00 0.00 33.22 31.94 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 0.86 -0.51 2.02 2.04 -1.44 -2.09 117.51 118.38 1yce h ILE 23 Ca 0.00 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.01 1yce h ILE 23 Cb 0.26 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1yce h ILE 23 CO 0.00 0.00 0.49 0.00 0.00 0.00 0.00 178.15 178.64 1yce h ALA 24 N 1.94 2.29 0.00 1.87 0.00 -1.69 -2.44 119.26 121.23 1yce h ALA 24 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1yce h ALA 24 Cb 0.19 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1yce h ALA 24 CO -0.00 -0.75 0.07 0.41 0.00 0.00 0.00 179.25 178.98 1yce n GLY 25 N -1.54 -0.73 0.30 0.00 0.00 -0.79 -1.87 105.19 100.56 1yce n GLY 25 Ca 0.10 0.15 -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 1.20 0.92 -0.61 2.04 -1.68 -3.24 117.51 116.14 1yce h ILE 26 Ca 0.00 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 1yce h ILE 26 Cb 0.15 0.10 0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1yce h ILE 26 CO 0.00 0.20 -0.44 1.23 0.00 0.00 0.00 178.15 179.14 1yce h GLY 27 N 1.04 -1.29 0.30 5.37 0.00 -1.63 -2.52 103.07 104.34 1yce h GLY 27 Ca 0.28 0.48 0.16 0.00 0.00 0.00 0.00 47.33 48.24 1yce h GLY 27 CO -0.06 -0.47 0.62 -2.55 0.00 0.00 0.00 176.54 174.08 1yce h PRO 28 N -1.29 0.82 -0.72 4.80 0.11 -1.75 -1.46 132.00 132.51 1yce h PRO 28 Ca -0.13 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.95 1yce h PRO 28 Cb 0.95 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.84 1yce h PRO 28 CO 0.21 0.54 0.47 0.78 -0.21 0.00 0.00 178.00 179.79 1yce h GLY 29 N 0.84 1.02 0.68 -0.55 0.00 -1.53 0.27 103.07 103.80 1yce h GLY 29 Ca 0.53 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.47 1yce h GLY 29 CO -0.31 0.35 -0.18 -2.08 0.00 0.00 0.00 176.54 174.32 1yce h VAL 30 N 0.96 0.56 -0.38 4.60 2.07 -0.99 -2.81 116.25 120.26 1yce h VAL 30 Ca 0.27 -0.53 -0.05 0.00 0.82 0.00 0.00 66.70 67.21 1yce h VAL 30 Cb -0.08 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1yce h VAL 30 CO -0.07 0.09 0.04 1.23 0.02 0.00 0.00 177.57 178.88 1yce h GLY 31 N -0.84 0.70 1.91 2.17 0.00 -1.25 -2.36 103.07 103.39 1yce h GLY 31 Ca -0.05 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.71 1yce h GLY 31 CO 0.09 0.45 -0.35 1.46 0.00 0.00 0.00 176.54 178.19 1yce h GLN 32 N 0.48 0.11 -0.40 4.80 4.20 -1.07 -2.13 115.11 121.10 1yce h GLN 32 Ca 0.11 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.64 1yce h GLN 32 Cb 0.41 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.17 1yce h GLN 32 CO 0.01 0.45 -0.30 0.78 -0.67 0.00 0.00 178.83 179.10 1yce h GLY 33 N 1.09 0.97 0.70 3.46 0.00 -1.29 -1.34 103.07 106.66 1yce h GLY 33 Ca 0.01 -0.91 0.00 0.00 0.00 0.00 0.00 47.33 46.43 1yce h GLY 33 CO 0.05 0.83 -0.25 -1.82 0.00 0.00 0.00 176.54 175.34 1yce h TYR 34 N 0.75 -0.67 -0.96 5.60 3.20 -1.21 -1.30 116.97 122.38 1yce h TYR 34 Ca 0.08 0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.08 1yce h TYR 34 Cb 0.87 0.26 -0.08 0.00 1.54 0.00 0.00 36.73 39.32 1yce h TYR 34 CO 0.05 -0.37 0.61 0.00 -1.64 0.00 0.00 178.16 176.81 1yce h ALA 35 N 0.12 1.63 -0.66 1.82 0.00 -1.24 -1.18 119.26 119.75 1yce h ALA 35 Ca -0.00 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 1yce h ALA 35 Cb 0.50 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1yce h ALA 35 CO -0.06 0.12 0.15 0.00 0.00 0.00 0.00 179.25 179.46 1yce h ALA 36 N 1.56 1.02 -0.41 0.00 0.00 -0.98 -1.65 119.26 118.81 1yce h ALA 36 Ca 0.48 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1yce h ALA 36 Cb 0.57 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1yce h ALA 36 CO -0.24 0.64 0.13 0.78 0.00 0.00 0.00 179.25 180.55 1yce h GLY 37 N 1.06 0.68 1.25 0.00 0.00 -0.08 -1.73 103.07 104.24 1yce h GLY 37 Ca 0.21 -0.40 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1yce h GLY 37 CO 0.00 0.37 0.19 0.50 0.00 0.00 0.00 176.54 177.61 1yce h LYS 38 N 0.51 0.95 -0.79 4.80 1.79 -1.23 -2.34 116.57 120.26 1yce h LYS 38 Ca 0.13 -0.19 -0.04 0.00 -2.18 0.00 0.00 60.65 58.38 1yce h LYS 38 Cb 0.25 -0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 30.72 1yce h LYS 38 CO -0.00 0.82 0.35 0.00 -1.08 0.00 0.00 179.45 179.53 1yce h ALA 39 N 1.29 1.13 0.22 3.86 0.00 -1.05 -2.13 119.26 122.57 1yce h ALA 39 Ca 0.20 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1yce h ALA 39 Cb 0.27 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1yce h ALA 39 CO -0.01 0.64 -0.10 0.28 0.00 0.00 0.00 179.25 180.06 1yce h VAL 40 N 1.14 0.83 -0.70 0.00 2.07 -1.11 -1.82 116.25 116.66 1yce h VAL 40 Ca 0.27 -0.27 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1yce h VAL 40 Cb 0.16 0.99 -0.08 0.00 -1.52 0.00 0.00 31.29 30.84 1yce h VAL 40 CO -0.03 0.06 0.31 -0.08 0.02 0.00 0.00 177.57 177.85 1yce h GLU 41 N -0.43 0.49 -0.00 1.57 4.81 -1.40 -2.85 114.58 116.77 1yce h GLU 41 Ca -0.03 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.00 1yce h GLU 41 Cb 0.33 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1yce h GLU 41 CO 0.05 0.33 -0.80 0.77 -0.73 0.00 0.00 179.01 178.63 1yce h SER 42 N 0.51 0.08 0.58 1.04 0.02 -1.35 -2.79 113.55 111.63 1yce h SER 42 Ca 0.36 -0.06 -0.12 0.00 -0.84 0.00 0.00 61.79 61.13 1yce h SER 42 Cb 0.44 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1yce h SER 42 CO -0.32 0.84 -0.57 -0.37 -1.14 0.00 0.00 176.83 175.27 1yce h VAL 43 N 0.03 1.40 -0.43 2.27 -1.51 -1.22 -1.41 116.25 115.39 1yce h VAL 43 Ca -0.02 -1.95 -0.03 0.00 -1.23 0.00 0.00 66.70 63.47 1yce h VAL 43 Cb 1.40 2.05 -0.02 0.00 -2.13 0.00 0.00 31.29 32.59 1yce h VAL 43 CO 0.11 0.56 0.14 0.00 -1.23 0.00 0.00 177.57 177.14 1yce h ALA 44 N 1.43 0.57 -0.01 5.19 0.00 -1.53 -2.52 119.26 122.39 1yce h ALA 44 Ca -0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1yce h ALA 44 Cb 1.01 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1yce h ALA 44 CO 0.07 0.22 -0.05 -0.09 0.00 0.00 0.00 179.25 179.40 1yce h ARG 45 N 0.56 0.05 -2.36 0.00 9.65 -1.47 -3.40 114.38 117.40 1yce h ARG 45 Ca 0.14 -0.04 -0.59 0.00 -1.10 0.00 0.00 59.98 58.39 1yce h ARG 45 Cb 0.26 0.01 -0.39 0.00 -1.39 0.00 0.00 29.97 28.46 1yce h ARG 45 CO -0.00 0.74 -0.95 0.00 2.80 0.00 0.00 179.97 182.56 1yce n GLN 46 N -4.70 0.50 0.15 0.20 0.00 -0.53 -4.98 117.38 108.02 1yce n GLN 46 Ca -0.09 -3.35 0.12 0.00 0.00 0.00 0.00 57.00 53.68 1yce n GLN 46 Cb 0.38 -1.67 0.56 0.00 0.00 0.00 0.00 30.24 29.51 1yce n GLN 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1yce n PRO 47 N 2.45 0.18 0.11 2.61 -0.04 -0.95 -1.44 135.00 137.92 1yce n PRO 47 Ca 0.27 0.53 0.02 0.00 -0.04 0.00 0.00 63.50 64.29 1yce n PRO 47 Cb 0.47 -1.94 0.36 0.00 -0.04 0.00 0.00 33.50 32.36 1yce n PRO 47 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1yce h GLU 48 N 0.00 0.26 -0.71 0.54 3.07 -1.93 -3.20 114.58 112.61 1yce h GLU 48 Ca 0.00 -0.07 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1yce h GLU 48 Cb 0.20 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1yce h GLU 48 CO 0.00 0.42 0.00 0.00 -1.40 0.00 0.00 179.01 178.03 1yce n ALA 49 N -2.49 3.26 0.02 3.43 0.00 -0.52 -4.57 120.51 119.65 1yce n ALA 49 Ca -0.01 -1.16 -0.02 0.00 0.00 0.00 0.00 53.44 52.25 1yce n ALA 49 Cb 0.29 -1.07 0.23 0.00 0.00 0.00 0.00 19.45 18.91 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 2.54 0.48 -0.62 0.00 3.64 -1.72 -0.49 116.57 120.40 1yce h LYS 50 Ca 0.00 -0.16 -0.05 0.00 -1.27 0.00 0.00 60.65 59.18 1yce h LYS 50 Cb 1.34 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 1yce h LYS 50 CO 0.27 0.64 0.21 0.78 -2.27 0.00 0.00 179.45 179.09 1yce h GLY 51 N 0.96 1.03 1.00 5.01 0.00 -1.89 -1.99 103.07 107.20 1yce h GLY 51 Ca 0.07 -0.59 -0.09 0.00 0.00 0.00 0.00 47.33 46.72 1yce h GLY 51 CO 0.04 0.56 -0.06 -0.55 0.00 0.00 0.00 176.54 176.52 1yce h ASP 52 N 0.89 0.83 0.30 0.19 3.32 -1.82 -1.92 116.42 118.21 1yce h ASP 52 Ca 0.20 -0.34 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 1yce h ASP 52 Cb 0.26 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 1yce h ASP 52 CO -0.01 0.98 -0.22 0.40 -1.72 0.00 0.00 179.24 178.66 1yce h ILE 53 N 0.67 0.53 -0.39 0.35 2.04 -0.96 -0.87 117.51 118.89 1yce h ILE 53 Ca 0.12 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.82 1yce h ILE 53 Cb 0.59 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1yce h ILE 53 CO 0.04 0.00 -0.37 0.40 0.00 0.00 0.00 178.15 178.21 1yce h ILE 54 N -0.52 1.27 -0.58 -0.67 2.04 -1.42 0.10 117.51 117.72 1yce h ILE 54 Ca -0.02 -1.55 -0.10 0.00 1.00 0.00 0.00 64.86 64.19 1yce h ILE 54 Cb 0.45 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 1yce h ILE 54 CO 0.00 0.52 -0.02 0.77 0.00 0.00 0.00 178.15 179.42 1yce h SER 55 N 0.77 1.03 -0.55 1.72 4.64 -1.34 -1.57 113.55 118.24 1yce h SER 55 Ca 0.07 -0.31 -0.10 0.00 -0.47 0.00 0.00 61.79 60.97 1yce h SER 55 Cb 0.97 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 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 0.93 1.27 -0.13 2.95 2.02 -1.08 -1.92 112.91 116.95 1yce h THR 56 Ca 0.16 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.16 1yce h THR 56 Cb 0.58 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1yce h THR 56 CO 0.03 0.42 0.08 -0.03 0.37 0.00 0.00 175.52 176.39 1yce h MET 57 N 0.89 0.16 -0.51 6.66 -1.53 -0.78 -1.97 114.93 117.86 1yce h MET 57 Ca 0.15 -0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.35 1yce h MET 57 Cb 0.60 -0.04 -0.02 0.00 -0.55 0.00 0.00 31.60 31.60 1yce h MET 57 CO 0.04 0.10 0.13 0.28 0.14 0.00 0.00 176.91 177.60 1yce h VAL 58 N 0.16 1.24 -0.04 -5.77 2.07 -1.26 -0.28 116.25 112.37 1yce h VAL 58 Ca 0.05 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.74 1yce h VAL 58 Cb -0.01 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1yce h VAL 58 CO -0.02 0.30 -0.02 0.25 0.02 0.00 0.00 177.57 178.10 1yce h LEU 59 N 0.70 -0.06 -0.64 2.57 6.46 -1.23 -0.38 115.31 122.73 1yce h LEU 59 Ca 0.16 0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.81 1yce h LEU 59 Cb 0.32 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.27 1yce h LEU 59 CO 0.00 -0.03 -0.32 1.23 -0.62 0.00 0.00 178.44 178.71 1yce h GLY 60 N -0.02 0.78 1.06 3.75 0.00 -1.29 -2.48 103.07 104.87 1yce h GLY 60 Ca 0.02 -0.72 -0.07 0.00 0.00 0.00 0.00 47.33 46.56 1yce h GLY 60 CO -0.05 0.65 0.15 1.46 0.00 0.00 0.00 176.54 178.76 1yce h GLN 61 N 0.60 1.10 -0.50 4.80 4.20 -1.01 -2.62 115.11 121.69 1yce h GLN 61 Ca 0.07 -0.28 0.05 0.00 0.06 0.00 0.00 58.65 58.55 1yce h GLN 61 Cb 0.84 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 28.43 1yce h GLN 61 CO 0.07 0.99 0.24 0.00 -0.67 0.00 0.00 178.83 179.46 1yce h ALA 62 N 1.07 0.63 -0.61 3.87 0.00 -0.76 -1.57 119.26 121.89 1yce h ALA 62 Ca 0.21 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1yce h ALA 62 Cb 0.39 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1yce h ALA 62 CO 0.01 -0.12 0.40 0.28 0.00 0.00 0.00 179.25 179.82 1yce h VAL 63 N 0.47 1.16 0.00 0.00 2.07 -1.38 -2.11 116.25 116.45 1yce h VAL 63 Ca 0.22 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1yce h VAL 63 Cb 0.15 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1yce h VAL 63 CO -0.17 0.15 0.00 0.00 0.02 0.00 0.00 177.57 177.58 1yce h ALA 64 N 1.22 1.00 0.00 1.67 0.00 -1.02 -2.88 119.26 119.25 1yce h ALA 64 Ca 0.22 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1yce h ALA 64 Cb -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1yce h ALA 64 CO -0.05 0.00 -0.44 1.49 0.00 0.00 0.00 179.25 180.25 1yce h GLU 65 N 0.00 0.00 -0.96 0.00 4.57 -0.58 -3.40 114.58 114.20 1yce h GLU 65 Ca 0.00 0.00 0.13 0.00 -1.18 0.00 0.00 59.36 58.31 1yce h GLU 65 Cb 0.20 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.70 1yce h GLU 65 CO 0.00 0.44 0.59 0.66 -1.18 0.00 0.00 179.01 179.52 1yce h SER 66 N 0.00 0.83 1.15 1.04 4.64 -1.56 -1.04 113.55 118.61 1yce h SER 66 Ca -0.00 0.06 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 1yce h SER 66 Cb 1.20 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1yce h SER 66 CO 0.06 0.41 -0.30 0.71 -0.87 0.00 0.00 176.83 176.84 1yce h THR 67 N 0.89 0.64 -0.47 2.95 1.35 -1.83 -0.88 112.91 115.55 1yce h THR 67 Ca 0.50 -1.46 -0.13 0.00 -0.55 0.00 0.00 66.41 64.76 1yce h THR 67 Cb 0.56 1.98 -0.01 0.00 -1.73 0.00 0.00 68.15 68.95 1yce h THR 67 CO -0.29 0.30 -0.22 1.23 -0.25 0.00 0.00 175.52 176.29 1yce h GLY 68 N 2.59 1.06 1.03 5.82 0.00 -1.47 -2.66 103.07 109.43 1yce h GLY 68 Ca -0.00 -0.93 -0.08 0.00 0.00 0.00 0.00 47.33 46.32 1yce h GLY 68 CO 0.04 0.85 0.05 -2.22 0.00 0.00 0.00 176.54 175.26 1yce h ILE 69 N 0.84 1.26 -0.26 2.60 1.08 -1.05 -2.36 117.51 119.62 1yce h ILE 69 Ca 0.11 -1.03 0.00 0.00 -0.39 0.00 0.00 64.86 63.55 1yce h ILE 69 Cb 0.79 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.37 1yce h ILE 69 CO 0.07 0.37 0.17 1.88 -0.69 0.00 0.00 178.15 179.94 1yce h TYR 70 N 0.83 0.31 -0.35 1.37 0.05 -1.12 0.68 116.97 118.74 1yce h TYR 70 Ca 0.16 0.01 0.02 0.00 0.05 0.00 0.00 58.73 58.97 1yce h TYR 70 Cb 0.47 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 1yce h TYR 70 CO 0.03 0.19 0.19 0.77 -1.05 0.00 0.00 178.16 178.30 1yce h SER 71 N 0.34 0.30 -1.00 3.88 0.02 -1.49 -1.57 113.55 114.03 1yce h SER 71 Ca 0.10 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1yce h SER 71 Cb -0.03 -0.05 -0.06 0.00 0.14 0.00 0.00 62.40 62.40 1yce h SER 71 CO -0.03 0.22 0.65 0.25 -1.14 0.00 0.00 176.83 176.77 1yce h LEU 72 N 0.39 1.05 -0.35 5.07 5.85 -0.90 0.25 115.31 126.67 1yce h LEU 72 Ca 0.14 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1yce h LEU 72 Cb 0.03 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 1yce h LEU 72 CO -0.08 0.68 -0.05 0.58 -0.34 0.00 0.00 178.44 179.23 1yce h VAL 73 N 1.19 1.27 -0.53 1.05 2.07 -0.45 -1.24 116.25 119.62 1yce h VAL 73 Ca 0.42 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.86 1yce h VAL 73 Cb 0.12 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1yce h VAL 73 CO -0.16 0.36 0.34 0.40 0.02 0.00 0.00 177.57 178.53 1yce h ILE 74 N 0.45 1.15 -0.68 4.57 1.08 -0.71 -0.70 117.51 122.67 1yce h ILE 74 Ca 0.09 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.26 1yce h ILE 74 Cb 0.54 0.40 -0.03 0.00 -3.07 0.00 0.00 36.82 34.65 1yce h ILE 74 CO 0.03 0.15 0.40 0.00 -0.69 0.00 0.00 178.15 178.03 1yce h ALA 75 N 1.18 0.87 0.00 1.87 0.00 -0.83 -1.91 119.26 120.44 1yce h ALA 75 Ca 0.19 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1yce h ALA 75 Cb -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1yce h ALA 75 CO -0.04 0.35 -0.52 -0.07 0.00 0.00 0.00 179.25 178.97 1yce h LEU 76 N 0.93 0.00 0.15 0.00 3.38 -0.87 -1.71 115.31 117.18 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 0.52 -0.07 0.40 0.09 0.00 0.00 178.44 179.34 1yce h ILE 77 N 0.00 0.99 -0.94 1.22 2.04 -0.92 -0.33 117.51 119.55 1yce h ILE 77 Ca -0.01 -0.61 0.10 0.00 1.00 0.00 0.00 64.86 65.35 1yce h ILE 77 Cb 1.01 1.36 -0.07 0.00 -0.74 0.00 0.00 36.82 38.38 1yce h ILE 77 CO 0.07 0.14 0.60 -0.07 0.00 0.00 0.00 178.15 178.89 1yce h LEU 78 N -0.49 0.87 0.19 1.44 3.38 -1.20 0.28 115.31 119.78 1yce h LEU 78 Ca -0.02 0.03 -0.32 0.00 0.09 0.00 0.00 57.88 57.66 1yce h LEU 78 Cb 0.38 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 41.00 1yce h LEU 78 CO 0.03 0.50 -1.46 -0.07 0.09 0.00 0.00 178.44 177.53 1yce h LEU 79 N 0.95 0.62 0.00 1.67 3.38 -1.30 -3.39 115.31 117.24 1yce h LEU 79 Ca 0.44 -0.72 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1yce h LEU 79 Cb 0.41 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1yce h LEU 79 CO -0.20 1.58 -0.65 -1.22 0.09 0.00 0.00 178.44 178.04 1yce n TYR 80 N -3.60 0.00 -2.91 1.13 4.02 -0.14 -4.74 117.16 110.92 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 1.07 -0.00 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 2.76 -1.97 -0.72 0.00 0.03 -5.02 120.51 114.27 1yce n ALA 81 Ca -0.00 -3.28 -0.42 0.00 0.00 0.00 0.00 53.44 49.74 1yce n ALA 81 Cb 0.01 -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 -2.79 6.60 0.01 0.00 3.84 -0.83 -4.67 114.94 117.10 1yce s ASN 82 Ca 0.34 2.25 0.28 0.00 0.21 0.00 0.00 52.86 55.94 1yce s ASN 82 Cb 0.41 -2.53 1.14 0.00 -0.55 0.00 0.00 41.25 39.72 1yce s ASN 82 CO -0.02 -0.98 1.87 -0.81 -2.79 0.00 0.00 177.10 174.37 1yce n PRO 83 N 7.24 0.01 0.04 0.43 -0.04 -1.26 -4.05 135.00 137.37 1yce n PRO 83 Ca 0.18 0.01 -0.21 0.00 -0.04 0.00 0.00 63.50 63.44 1yce n PRO 83 Cb 0.43 -1.51 -0.14 0.00 -0.04 0.00 0.00 33.50 32.23 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 0.00 0.56 -0.38 0.54 0.05 -1.98 -3.37 116.94 112.36 1yce h PHE 84 Ca 0.00 -0.41 0.10 0.00 3.82 0.00 0.00 57.97 61.48 1yce h PHE 84 Cb 0.51 -0.02 -0.02 0.00 2.00 0.00 0.00 35.95 38.42 1yce h PHE 84 CO 0.00 1.66 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 -1.16 116.25 111.98 1yce h VAL 85 Ca -0.36 -0.02 -0.04 0.00 -1.23 0.00 0.00 66.70 65.05 1yce h VAL 85 Cb 2.06 0.77 -0.01 0.00 -2.13 0.00 0.00 31.29 31.99 1yce h VAL 85 CO 0.14 0.01 -0.20 1.23 -1.23 0.00 0.00 177.57 177.52 1yce h GLY 86 N 0.06 0.00 1.91 5.19 0.00 -1.80 -3.18 103.07 105.26 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 -3.16 0.00 -4.71 3.11 4.77 -0.44 -4.84 117.00 111.73 1yce n LEU 87 Ca 0.03 0.45 -0.41 0.00 -0.03 0.00 0.00 56.01 56.05 1yce n LEU 87 Cb 0.59 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1yce n LEU 87 CO 0.36 -0.08 0.54 -0.76 -1.33 0.00 0.00 177.39 176.13 1yce s LEU 88 N -2.91 4.31 0.00 2.23 1.43 -1.20 -5.14 118.68 117.40 1yce s LEU 88 Ca 0.14 1.37 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 1yce s LEU 88 Cb 0.16 -3.29 0.00 0.00 0.03 0.00 0.00 46.19 43.09 1yce s LEU 88 CO 0.43 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.40