#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 5.11 0.15 6.12 1.47 -1.26 -4.98 116.67 123.28 1yce s ASP 2 Ca 0.00 0.70 0.02 0.00 1.18 0.00 0.00 52.55 54.45 1yce s ASP 2 Cb 0.00 -1.45 -0.07 0.00 -0.34 0.00 0.00 42.92 41.06 1yce s ASP 2 CO 0.00 -1.44 1.33 -0.03 0.68 0.00 0.00 175.17 175.71 1yce h MET 3 N -0.55 0.17 -0.58 2.11 1.85 -2.03 -2.38 114.93 113.51 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 -0.03 1.25 -0.40 0.00 0.00 176.91 179.34 1yce h LEU 4 N 0.08 1.02 -0.60 3.39 5.85 -1.99 -1.71 115.31 121.35 1yce h LEU 4 Ca -0.05 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 1yce h LEU 4 Cb 1.60 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.33 1yce h LEU 4 CO 0.14 1.09 0.23 0.15 -0.34 0.00 0.00 178.44 179.71 1yce h PHE 5 N 0.94 0.92 0.18 1.25 -0.00 -1.94 -0.93 116.94 117.36 1yce h PHE 5 Ca 0.16 -0.07 -0.01 0.00 -0.00 0.00 0.00 57.97 58.05 1yce h PHE 5 Cb 0.58 -0.28 0.00 0.00 -0.00 0.00 0.00 35.95 36.26 1yce h PHE 5 CO 0.04 0.74 -0.09 0.00 -0.00 0.00 0.00 178.31 179.01 1yce h ALA 6 N 1.08 -0.24 -0.55 2.41 0.00 -1.12 -2.09 119.26 118.76 1yce h ALA 6 Ca 0.20 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1yce h ALA 6 Cb 0.22 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1yce h ALA 6 CO -0.01 -0.63 0.32 0.87 0.00 0.00 0.00 179.25 179.79 1yce h LYS 7 N -0.24 0.74 -0.33 0.00 1.57 -1.31 -2.53 116.57 114.47 1yce h LYS 7 Ca -0.02 -0.07 0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1yce h LYS 7 Cb 0.18 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.27 1yce h LYS 7 CO 0.04 0.55 -0.11 1.15 -0.57 0.00 0.00 179.45 180.51 1yce h THR 8 N 0.73 0.61 -0.05 -0.16 2.02 -0.97 -0.06 112.91 115.03 1yce h THR 8 Ca 0.19 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.22 1yce h THR 8 Cb 0.00 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1yce h THR 8 CO -0.04 0.00 -0.67 -0.37 0.37 0.00 0.00 175.52 174.82 1yce h VAL 9 N -0.04 1.41 -0.34 3.16 -1.51 -1.26 -1.23 116.25 116.44 1yce h VAL 9 Ca 0.16 -2.13 -0.11 0.00 -1.23 0.00 0.00 66.70 63.39 1yce h VAL 9 Cb 0.29 2.11 -0.01 0.00 -2.13 0.00 0.00 31.29 31.55 1yce h VAL 9 CO -0.36 0.63 -0.22 0.58 -1.23 0.00 0.00 177.57 176.96 1yce h VAL 10 N 0.16 1.29 -0.40 7.19 2.07 -1.23 -2.24 116.25 123.09 1yce h VAL 10 Ca -0.01 -1.37 -0.15 0.00 0.82 0.00 0.00 66.70 65.99 1yce h VAL 10 Cb 1.20 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.39 1yce h VAL 10 CO 0.10 0.45 -0.35 -0.07 0.02 0.00 0.00 177.57 177.71 1yce h LEU 11 N 0.53 1.00 -0.74 2.57 3.38 -0.99 -1.72 115.31 119.34 1yce h LEU 11 Ca 0.07 -0.44 0.03 0.00 0.09 0.00 0.00 57.88 57.62 1yce h LEU 11 Cb 0.78 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1yce h LEU 11 CO 0.06 1.24 0.47 0.00 0.09 0.00 0.00 178.44 180.30 1yce h ALA 12 N 0.81 0.96 -0.43 1.53 0.00 -1.21 -1.63 119.26 119.30 1yce h ALA 12 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1yce h ALA 12 Cb 0.95 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1yce h ALA 12 CO 0.09 0.26 -0.08 0.00 0.00 0.00 0.00 179.25 179.52 1yce h ALA 13 N 1.31 1.07 -0.79 0.00 0.00 -1.35 -2.75 119.26 116.75 1yce h ALA 13 Ca 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1yce h ALA 13 Cb 0.01 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 1yce h ALA 13 CO -0.11 0.58 0.41 0.77 0.00 0.00 0.00 179.25 180.90 1yce h SER 14 N 0.68 1.01 -0.34 0.00 0.02 -0.91 0.38 113.55 114.39 1yce h SER 14 Ca 0.12 -0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1yce h SER 14 Cb 0.53 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.80 1yce h SER 14 CO 0.03 0.84 0.21 0.00 -1.14 0.00 0.00 176.83 176.76 1yce h ALA 15 N 1.21 0.43 -0.55 3.77 0.00 -1.14 -0.52 119.26 122.45 1yce h ALA 15 Ca 0.27 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.11 1yce h ALA 15 Cb 0.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1yce h ALA 15 CO -0.04 -0.08 0.25 0.28 0.00 0.00 0.00 179.25 179.65 1yce h VAL 16 N 0.44 1.21 -0.65 0.00 2.07 -1.32 -2.56 116.25 115.44 1yce h VAL 16 Ca 0.12 -0.62 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1yce h VAL 16 Cb -0.01 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.33 1yce h VAL 16 CO -0.02 0.24 0.36 1.23 0.02 0.00 0.00 177.57 179.40 1yce h GLY 17 N 0.75 0.97 0.87 2.17 0.00 -0.77 -1.97 103.07 105.08 1yce h GLY 17 Ca 0.19 -0.44 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1yce h GLY 17 CO -0.02 0.42 0.00 0.00 0.00 0.00 0.00 176.54 176.94 1yce h ALA 18 N 1.17 0.00 -0.93 3.60 0.00 -1.00 -1.81 119.26 120.29 1yce h ALA 18 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1yce h ALA 18 Cb 0.04 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1yce h ALA 18 CO -0.04 -0.43 0.60 0.78 0.00 0.00 0.00 179.25 180.16 1yce h GLY 19 N -0.13 1.33 0.96 0.00 0.00 -1.39 -2.81 103.07 101.03 1yce h GLY 19 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 1yce h GLY 19 CO -0.00 0.50 0.13 -0.84 0.00 0.00 0.00 176.54 176.34 1yce h THR 20 N 1.27 1.23 -0.81 4.70 2.02 -1.23 -2.82 112.91 117.26 1yce h THR 20 Ca 0.34 -0.78 0.13 0.00 0.77 0.00 0.00 66.41 66.87 1yce h THR 20 Cb -0.11 0.85 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 1yce h THR 20 CO -0.07 0.28 0.53 0.00 0.37 0.00 0.00 175.52 176.63 1yce h ALA 21 N 0.99 1.88 0.00 6.16 0.00 -1.08 -2.05 119.26 125.16 1yce h ALA 21 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1yce h ALA 21 Cb 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1yce h ALA 21 CO -0.00 -0.08 0.00 -1.33 0.00 0.00 0.00 179.25 177.84 1yce n MET 22 N -4.52 0.06 0.22 0.00 2.81 -1.07 -2.44 117.12 112.18 1yce n MET 22 Ca 0.15 0.31 0.11 0.00 -1.81 0.00 0.00 57.70 56.47 1yce n MET 22 Cb 0.43 -1.61 0.69 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 0.88 -0.52 2.02 2.04 -1.45 -2.17 117.51 118.31 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 0.27 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1yce h ILE 23 CO 0.00 0.00 0.50 0.00 0.00 0.00 0.00 178.15 178.65 1yce h ALA 24 N 1.95 2.30 0.00 1.87 0.00 -1.69 -2.47 119.26 121.22 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 0.18 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1yce h ALA 24 CO -0.00 -0.77 0.03 0.41 0.00 0.00 0.00 179.25 178.92 1yce n GLY 25 N -1.55 -0.68 0.27 0.00 0.00 -0.82 -1.90 105.19 100.52 1yce n GLY 25 Ca 0.10 0.11 -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 1.15 0.90 -0.61 2.04 -1.69 -3.24 117.51 116.06 1yce h ILE 26 Ca 0.00 -0.31 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 1yce h ILE 26 Cb 0.06 0.16 0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1yce h ILE 26 CO 0.00 0.17 -0.43 1.23 0.00 0.00 0.00 178.15 179.11 1yce h GLY 27 N 0.91 -1.26 0.48 5.37 0.00 -1.64 -2.50 103.07 104.43 1yce h GLY 27 Ca 0.26 0.47 0.14 0.00 0.00 0.00 0.00 47.33 48.20 1yce h GLY 27 CO -0.07 -0.46 0.60 -2.55 0.00 0.00 0.00 176.54 174.06 1yce h PRO 28 N -1.27 0.79 -0.66 4.80 0.11 -1.75 -1.45 132.00 132.57 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 0.93 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.83 1yce h PRO 28 CO 0.20 0.52 0.40 0.78 -0.21 0.00 0.00 178.00 179.69 1yce h GLY 29 N 0.81 0.96 0.72 -0.55 0.00 -1.53 0.15 103.07 103.63 1yce h GLY 29 Ca 0.47 -0.40 -0.02 0.00 0.00 0.00 0.00 47.33 47.39 1yce h GLY 29 CO -0.24 0.39 -0.19 -2.08 0.00 0.00 0.00 176.54 174.41 1yce h VAL 30 N 0.90 0.55 -0.41 4.60 2.07 -0.99 -2.79 116.25 120.17 1yce h VAL 30 Ca 0.24 -0.46 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 1yce h VAL 30 Cb -0.03 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 1yce h VAL 30 CO -0.04 0.08 0.03 1.23 0.02 0.00 0.00 177.57 178.89 1yce h GLY 31 N -0.83 0.76 1.83 2.17 0.00 -1.25 -2.42 103.07 103.33 1yce h GLY 31 Ca -0.06 -0.53 -0.09 0.00 0.00 0.00 0.00 47.33 46.65 1yce h GLY 31 CO 0.09 0.49 -0.34 1.46 0.00 0.00 0.00 176.54 178.25 1yce h GLN 32 N 0.55 0.20 -0.41 4.80 4.20 -1.09 -2.26 115.11 121.10 1yce h GLN 32 Ca 0.12 -0.08 -0.14 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 28.19 1yce h GLN 32 CO 0.01 0.52 -0.29 0.78 -0.67 0.00 0.00 178.83 179.18 1yce h GLY 33 N 1.10 0.96 0.71 3.46 0.00 -1.32 -1.30 103.07 106.67 1yce h GLY 33 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1yce h GLY 33 CO 0.05 0.81 -0.24 -1.82 0.00 0.00 0.00 176.54 175.34 1yce h TYR 34 N 0.74 -0.63 -0.96 5.60 3.20 -1.24 -1.33 116.97 122.35 1yce h TYR 34 Ca 0.08 0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.08 1yce h TYR 34 Cb 0.85 0.25 -0.08 0.00 1.54 0.00 0.00 36.73 39.29 1yce h TYR 34 CO 0.05 -0.35 0.61 0.00 -1.64 0.00 0.00 178.16 176.83 1yce h ALA 35 N 0.18 1.61 -0.70 1.82 0.00 -1.24 -1.13 119.26 119.80 1yce h ALA 35 Ca -0.00 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1yce h ALA 35 Cb 0.47 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1yce h ALA 35 CO -0.06 0.15 0.19 0.00 0.00 0.00 0.00 179.25 179.54 1yce h ALA 36 N 1.56 1.01 -0.43 0.00 0.00 -0.98 -1.62 119.26 118.80 1yce h ALA 36 Ca 0.47 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1yce h ALA 36 Cb 0.53 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1yce h ALA 36 CO -0.24 0.65 0.16 0.78 0.00 0.00 0.00 179.25 180.61 1yce h GLY 37 N 1.09 0.69 1.26 0.00 0.00 -0.07 -1.68 103.07 104.36 1yce h GLY 37 Ca 0.23 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1yce h GLY 37 CO -0.00 0.36 0.19 0.50 0.00 0.00 0.00 176.54 177.58 1yce h LYS 38 N 0.54 0.93 -0.77 4.80 1.79 -1.24 -2.00 116.57 120.63 1yce h LYS 38 Ca 0.14 -0.18 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 1yce h LYS 38 Cb 0.20 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 1yce h LYS 38 CO -0.01 0.80 0.32 0.00 -1.08 0.00 0.00 179.45 179.48 1yce h ALA 39 N 1.30 1.11 -0.09 3.86 0.00 -1.03 -2.06 119.26 122.36 1yce h ALA 39 Ca 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1yce h ALA 39 Cb 0.26 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1yce h ALA 39 CO -0.01 0.64 0.03 0.28 0.00 0.00 0.00 179.25 180.20 1yce h VAL 40 N 1.11 1.16 -0.69 0.00 2.07 -1.08 -2.29 116.25 116.53 1yce h VAL 40 Ca 0.26 -0.47 0.08 0.00 0.82 0.00 0.00 66.70 67.39 1yce h VAL 40 Cb 0.19 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.20 1yce h VAL 40 CO -0.02 0.14 0.36 -0.08 0.02 0.00 0.00 177.57 177.98 1yce h GLU 41 N -0.03 0.61 -0.06 1.57 4.81 -1.28 -2.85 114.58 117.35 1yce h GLU 41 Ca 0.03 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.06 1yce h GLU 41 Cb 0.19 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 1yce h GLU 41 CO -0.00 0.40 -0.68 0.77 -0.73 0.00 0.00 179.01 178.77 1yce h SER 42 N 0.62 0.33 0.69 1.04 0.02 -1.31 -3.19 113.55 111.76 1yce h SER 42 Ca 0.33 -0.21 -0.14 0.00 -0.84 0.00 0.00 61.79 60.93 1yce h SER 42 Cb 0.31 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 1yce h SER 42 CO -0.24 0.92 -0.68 -0.37 -1.14 0.00 0.00 176.83 175.32 1yce h VAL 43 N 0.20 1.48 -0.02 2.27 -1.51 -1.32 0.23 116.25 117.58 1yce h VAL 43 Ca -0.02 -2.33 -0.12 0.00 -1.23 0.00 0.00 66.70 63.00 1yce h VAL 43 Cb 1.23 2.26 -0.02 0.00 -2.13 0.00 0.00 31.29 32.63 1yce h VAL 43 CO 0.11 0.66 -0.53 0.00 -1.23 0.00 0.00 177.57 176.58 1yce h ALA 44 N 1.32 1.08 0.00 5.19 0.00 -1.60 -2.99 119.26 122.27 1yce h ALA 44 Ca -0.01 -0.49 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 1yce h ALA 44 Cb 1.21 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1yce h ALA 44 CO 0.09 0.67 -2.04 -2.13 0.00 0.00 0.00 179.25 175.84 1yce n ARG 45 N -3.91 0.72 -3.32 0.00 0.63 -1.16 -4.66 116.66 104.96 1yce n ARG 45 Ca -0.02 -0.13 -0.25 0.00 -0.92 0.00 0.00 57.85 56.53 1yce n ARG 45 Cb 0.55 -1.48 -0.08 0.00 0.45 0.00 0.00 32.46 31.90 1yce n ARG 45 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 1yce n GLN 46 N -2.36 0.82 0.28 -0.14 1.13 0.80 -5.00 117.38 112.90 1yce n GLN 46 Ca -0.13 -3.44 0.17 0.00 -1.94 0.00 0.00 57.00 51.67 1yce n GLN 46 Cb 0.72 -1.52 0.73 0.00 0.11 0.00 0.00 30.24 30.27 1yce n GLN 46 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1yce h PRO 47 N 4.58 0.00 0.00 -1.09 0.13 -1.72 -2.31 132.00 131.60 1yce h PRO 47 Ca 0.15 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 65.21 1yce h PRO 47 Cb 0.86 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.98 1yce h PRO 47 CO 0.49 0.03 -0.34 0.93 -0.23 0.00 0.00 178.00 178.88 1yce h GLU 48 N 0.00 0.00 -0.35 0.86 3.07 -1.94 -3.17 114.58 113.04 1yce h GLU 48 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1yce h GLU 48 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1yce h GLU 48 CO 0.00 0.34 0.00 0.00 -1.40 0.00 0.00 179.01 177.95 1yce n ALA 49 N -2.38 2.50 0.03 3.43 0.00 -0.87 -4.48 120.51 118.75 1yce n ALA 49 Ca -0.01 -0.57 0.10 0.00 0.00 0.00 0.00 53.44 52.96 1yce n ALA 49 Cb 0.41 -0.98 0.54 0.00 0.00 0.00 0.00 19.45 19.43 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 1.81 0.27 0.89 0.00 3.64 -1.68 -1.37 116.57 120.14 1yce h LYS 50 Ca 0.00 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.32 1yce h LYS 50 Cb 0.47 -0.06 0.01 0.00 -0.41 0.00 0.00 32.23 32.24 1yce h LYS 50 CO 0.02 0.18 -0.43 0.78 -2.27 0.00 0.00 179.45 177.73 1yce h GLY 51 N 0.28 -1.25 0.90 5.01 0.00 -1.88 -2.05 103.07 104.08 1yce h GLY 51 Ca 0.17 0.46 0.06 0.00 0.00 0.00 0.00 47.33 48.03 1yce h GLY 51 CO -0.04 -0.45 0.56 -0.55 0.00 0.00 0.00 176.54 176.06 1yce h ASP 52 N -1.32 0.85 0.47 0.19 3.32 -1.85 -1.89 116.42 116.18 1yce h ASP 52 Ca -0.12 0.01 -0.02 0.00 0.02 0.00 0.00 57.03 56.91 1yce h ASP 52 Cb 0.92 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1yce h ASP 52 CO 0.20 0.55 -0.22 0.40 -1.72 0.00 0.00 179.24 178.44 1yce h ILE 53 N 0.96 0.53 -0.38 0.35 2.04 -1.22 -0.94 117.51 118.85 1yce h ILE 53 Ca 0.37 -0.17 -0.16 0.00 1.00 0.00 0.00 64.86 65.90 1yce h ILE 53 Cb 0.21 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1yce h ILE 53 CO -0.14 0.03 -0.39 0.40 0.00 0.00 0.00 178.15 178.06 1yce h ILE 54 N -0.73 1.27 -0.59 -0.67 2.04 -1.33 0.20 117.51 117.70 1yce h ILE 54 Ca -0.06 -1.56 -0.11 0.00 1.00 0.00 0.00 64.86 64.13 1yce h ILE 54 Cb 0.53 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 1yce h ILE 54 CO 0.11 0.52 -0.05 0.77 0.00 0.00 0.00 178.15 179.50 1yce h SER 55 N 0.75 1.06 -0.58 1.72 4.64 -1.38 -1.54 113.55 118.22 1yce h SER 55 Ca 0.06 -0.33 -0.09 0.00 -0.47 0.00 0.00 61.79 60.96 1yce h SER 55 Cb 0.98 -0.29 -0.02 0.00 -0.31 0.00 0.00 62.40 62.76 1yce h SER 55 CO 0.09 1.13 -0.01 0.74 -0.87 0.00 0.00 176.83 177.92 1yce h THR 56 N 0.96 1.27 -0.11 2.95 2.02 -1.08 -2.02 112.91 116.90 1yce h THR 56 Ca 0.16 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.20 1yce h THR 56 Cb 0.62 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1yce h THR 56 CO 0.04 0.41 0.07 -0.03 0.37 0.00 0.00 175.52 176.39 1yce h MET 57 N 0.92 0.15 -0.54 6.66 -1.53 -0.75 -1.94 114.93 117.89 1yce h MET 57 Ca 0.16 -0.01 -0.06 0.00 -3.44 0.00 0.00 59.70 56.36 1yce h MET 57 Cb 0.56 -0.03 -0.02 0.00 -0.55 0.00 0.00 31.60 31.55 1yce h MET 57 CO 0.03 0.10 0.12 0.28 0.14 0.00 0.00 176.91 177.58 1yce h VAL 58 N 0.15 1.25 0.03 -5.77 2.07 -1.26 -0.27 116.25 112.45 1yce h VAL 58 Ca 0.04 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.66 1yce h VAL 58 Cb -0.02 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1yce h VAL 58 CO -0.01 0.33 -0.04 0.25 0.02 0.00 0.00 177.57 178.12 1yce h LEU 59 N 0.77 -0.11 -0.66 2.57 6.46 -1.25 -0.35 115.31 122.75 1yce h LEU 59 Ca 0.17 0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.82 1yce h LEU 59 Cb 0.36 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.32 1yce h LEU 59 CO 0.00 -0.06 -0.25 1.23 -0.62 0.00 0.00 178.44 178.74 1yce h GLY 60 N -0.09 0.85 1.07 3.75 0.00 -1.29 -2.48 103.07 104.88 1yce h GLY 60 Ca 0.01 -0.74 -0.08 0.00 0.00 0.00 0.00 47.33 46.51 1yce h GLY 60 CO -0.02 0.68 0.11 1.46 0.00 0.00 0.00 176.54 178.76 1yce h GLN 61 N 0.67 1.11 -0.51 4.80 4.20 -1.00 -2.61 115.11 121.78 1yce h GLN 61 Ca 0.09 -0.30 0.04 0.00 0.06 0.00 0.00 58.65 58.54 1yce h GLN 61 Cb 0.77 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.38 1yce h GLN 61 CO 0.06 1.02 0.26 0.00 -0.67 0.00 0.00 178.83 179.50 1yce h ALA 62 N 1.05 0.65 -0.58 3.87 0.00 -0.78 -1.67 119.26 121.80 1yce h ALA 62 Ca 0.20 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1yce h ALA 62 Cb 0.45 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 1yce h ALA 62 CO 0.01 -0.09 0.36 0.28 0.00 0.00 0.00 179.25 179.82 1yce h VAL 63 N 0.51 1.10 0.00 0.00 2.07 -1.37 -2.07 116.25 116.48 1yce h VAL 63 Ca 0.22 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1yce h VAL 63 Cb 0.13 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1yce h VAL 63 CO -0.15 0.13 0.00 0.00 0.02 0.00 0.00 177.57 177.57 1yce h ALA 64 N 1.24 1.00 0.00 1.67 0.00 -1.03 -2.86 119.26 119.28 1yce h ALA 64 Ca 0.22 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.06 1yce h ALA 64 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1yce h ALA 64 CO -0.08 0.00 -0.37 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 -0.57 -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 0.19 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 28.70 1yce h GLU 65 CO 0.00 0.37 0.62 0.66 -1.18 0.00 0.00 179.01 179.48 1yce h SER 66 N 0.00 0.93 1.18 1.04 4.64 -1.56 -1.04 113.55 118.75 1yce h SER 66 Ca -0.00 0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 1yce h SER 66 Cb 1.19 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.13 1yce h SER 66 CO 0.05 0.52 -0.28 0.71 -0.87 0.00 0.00 176.83 176.96 1yce h THR 67 N 1.02 0.59 -0.41 2.95 1.35 -1.83 -1.05 112.91 115.52 1yce h THR 67 Ca 0.47 -1.41 -0.13 0.00 -0.55 0.00 0.00 66.41 64.79 1yce h THR 67 Cb 0.40 1.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.78 1yce h THR 67 CO -0.24 0.27 -0.28 1.23 -0.25 0.00 0.00 175.52 176.25 1yce h GLY 68 N 2.64 0.96 1.02 5.82 0.00 -1.47 -2.71 103.07 109.33 1yce h GLY 68 Ca -0.00 -0.88 -0.08 0.00 0.00 0.00 0.00 47.33 46.36 1yce h GLY 68 CO 0.04 0.80 -0.01 -2.22 0.00 0.00 0.00 176.54 175.14 1yce h ILE 69 N 0.75 1.26 -0.23 2.60 1.08 -1.07 -2.41 117.51 119.49 1yce h ILE 69 Ca 0.09 -1.11 0.01 0.00 -0.39 0.00 0.00 64.86 63.46 1yce h ILE 69 Cb 0.84 0.96 -0.02 0.00 -3.07 0.00 0.00 36.82 35.53 1yce h ILE 69 CO 0.07 0.39 0.14 1.88 -0.69 0.00 0.00 178.15 179.94 1yce h TYR 70 N 0.78 0.26 -0.37 1.37 0.05 -1.17 0.52 116.97 118.40 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 0.54 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.17 1yce h TYR 70 CO 0.04 0.15 0.18 0.77 -1.05 0.00 0.00 178.16 178.26 1yce h SER 71 N 0.28 0.27 -1.00 3.88 0.02 -1.50 -1.61 113.55 113.90 1yce h SER 71 Ca 0.09 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.11 1yce h SER 71 Cb -0.01 -0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.44 1yce h SER 71 CO -0.04 0.20 0.65 0.25 -1.14 0.00 0.00 176.83 176.75 1yce h LEU 72 N 0.38 1.05 -0.31 5.07 5.85 -0.90 0.18 115.31 126.63 1yce h LEU 72 Ca 0.15 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.81 1yce h LEU 72 Cb 0.06 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 1yce h LEU 72 CO -0.11 0.69 -0.05 0.58 -0.34 0.00 0.00 178.44 179.21 1yce h VAL 73 N 1.20 1.27 -0.50 1.05 2.07 -0.47 -1.34 116.25 119.54 1yce h VAL 73 Ca 0.42 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1yce h VAL 73 Cb 0.11 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1yce h VAL 73 CO -0.15 0.34 0.33 0.40 0.02 0.00 0.00 177.57 178.51 1yce h ILE 74 N 0.37 1.13 -0.68 4.57 1.08 -0.77 -0.71 117.51 122.49 1yce h ILE 74 Ca 0.08 -0.26 -0.01 0.00 -0.39 0.00 0.00 64.86 64.29 1yce h ILE 74 Cb 0.53 0.41 -0.03 0.00 -3.07 0.00 0.00 36.82 34.66 1yce h ILE 74 CO 0.03 0.13 0.40 0.00 -0.69 0.00 0.00 178.15 178.02 1yce h ALA 75 N 1.17 0.87 0.00 1.87 0.00 -0.86 -2.00 119.26 120.31 1yce h ALA 75 Ca 0.18 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 1yce h ALA 75 Cb -0.06 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 1yce h ALA 75 CO -0.04 0.36 -0.51 -0.07 0.00 0.00 0.00 179.25 178.98 1yce h LEU 76 N 0.93 0.00 0.12 0.00 3.38 -0.88 -1.67 115.31 117.20 1yce h LEU 76 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.21 1yce h LEU 76 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 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 -0.88 1.22 2.04 -0.95 -0.31 117.51 119.65 1yce h ILE 77 Ca -0.01 -0.61 0.08 0.00 1.00 0.00 0.00 64.86 65.33 1yce h ILE 77 Cb 1.01 1.40 -0.06 0.00 -0.74 0.00 0.00 36.82 38.43 1yce h ILE 77 CO 0.07 0.15 0.57 -0.07 0.00 0.00 0.00 178.15 178.86 1yce h LEU 78 N -0.45 0.82 0.15 1.44 3.38 -1.19 0.25 115.31 119.72 1yce h LEU 78 Ca -0.02 0.02 -0.31 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 40.96 1yce h LEU 78 CO 0.03 0.50 -1.49 -0.07 0.09 0.00 0.00 178.44 177.50 1yce h LEU 79 N 0.92 0.51 0.00 1.67 3.38 -1.29 -3.39 115.31 117.10 1yce h LEU 79 Ca 0.39 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1yce h LEU 79 Cb 0.32 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1yce h LEU 79 CO -0.16 1.52 -0.60 -1.22 0.09 0.00 0.00 178.44 178.08 1yce n TYR 80 N -3.54 0.00 -2.89 1.13 0.53 -0.13 -4.74 117.16 107.52 1yce n TYR 80 Ca -0.16 0.00 -0.13 0.00 -1.02 0.00 0.00 57.90 56.59 1yce n TYR 80 Cb 1.06 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.37 1yce n TYR 80 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1yce n ALA 81 N -1.28 2.81 -1.94 -0.72 0.00 0.01 -5.02 120.51 114.38 1yce n ALA 81 Ca 0.00 -3.26 -0.42 0.00 0.00 0.00 0.00 53.44 49.76 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 -2.82 6.58 0.01 0.00 3.84 -0.81 -4.67 114.94 117.06 1yce s ASN 82 Ca 0.33 2.28 0.28 0.00 0.21 0.00 0.00 52.86 55.96 1yce s ASN 82 Cb 0.41 -2.53 1.12 0.00 -0.55 0.00 0.00 41.25 39.70 1yce s ASN 82 CO -0.01 -1.00 1.86 -0.81 -2.79 0.00 0.00 177.10 174.34 1yce n PRO 83 N 7.29 0.01 0.05 0.43 -0.04 -1.26 -4.06 135.00 137.41 1yce n PRO 83 Ca 0.18 0.01 -0.22 0.00 -0.04 0.00 0.00 63.50 63.43 1yce n PRO 83 Cb 0.43 -1.51 -0.15 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 0.61 -0.41 0.54 0.05 -1.98 -3.37 116.94 112.37 1yce h PHE 84 Ca 0.00 -0.44 0.11 0.00 3.82 0.00 0.00 57.97 61.45 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 1.69 0.29 -0.39 -0.18 0.00 0.00 178.31 179.72 1yce h VAL 85 N 0.09 0.83 0.00 -0.55 -1.51 -1.98 -1.07 116.25 112.07 1yce h VAL 85 Ca -0.37 -0.03 -0.03 0.00 -1.23 0.00 0.00 66.70 65.05 1yce h VAL 85 Cb 2.07 0.74 -0.00 0.00 -2.13 0.00 0.00 31.29 31.97 1yce h VAL 85 CO 0.14 0.01 -0.13 1.23 -1.23 0.00 0.00 177.57 177.60 1yce h GLY 86 N 0.08 0.00 1.96 5.19 0.00 -1.80 -3.17 103.07 105.33 1yce h GLY 86 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1yce h GLY 86 CO -0.02 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.56 1yce n LEU 87 N -3.13 0.00 -4.71 3.11 4.77 -0.41 -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 41.15 1yce n LEU 87 CO 0.35 -0.09 0.56 -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 -5.14 118.68 117.35 1yce s LEU 88 Ca 0.12 1.38 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 1yce s LEU 88 Cb 0.15 -3.31 0.00 0.00 0.03 0.00 0.00 46.19 43.06 1yce s LEU 88 CO 0.42 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 177.38