#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpn n SER 2 N 0.00 0.46 0.01 1.61 7.64 -1.26 -4.84 113.62 117.23 2jpn n SER 2 Ca 0.00 -1.55 0.11 0.00 1.01 0.00 0.00 58.87 58.44 2jpn n SER 2 Cb 0.00 -0.08 -0.09 0.00 -1.01 0.00 0.00 64.21 63.03 2jpn n SER 2 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 2jpn n HIS 3 N -0.17 0.14 -1.14 1.43 -0.00 -1.26 -5.11 115.22 109.10 2jpn n HIS 3 Ca 0.01 0.04 0.15 0.00 -0.00 0.00 0.00 57.72 57.92 2jpn n HIS 3 Cb 0.52 -0.39 -0.04 0.00 -0.00 0.00 0.00 29.99 30.08 2jpn n HIS 3 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 176.34 175.01 2jpn n MET 4 N -2.02 -2.27 0.23 1.57 0.00 -1.26 -4.48 117.12 108.89 2jpn n MET 4 Ca -0.00 1.55 0.13 0.00 0.00 0.00 0.00 57.70 59.38 2jpn n MET 4 Cb 0.47 -2.79 0.39 0.00 0.00 0.00 0.00 33.22 31.30 2jpn n MET 4 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 175.97 175.90 2jpn h LEU 5 N -1.10 0.00 0.00 4.03 4.07 -1.96 -3.43 115.31 116.92 2jpn h LEU 5 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jpn h LEU 5 Cb 1.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.01 2jpn h LEU 5 CO 0.02 0.09 0.00 -0.11 -1.08 0.00 0.00 178.44 177.36 2jpn n LEU 6 N -3.16 -0.01 0.04 1.67 0.00 -1.26 -5.07 117.00 109.21 2jpn n LEU 6 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.03 2jpn n LEU 6 Cb 0.45 0.31 0.00 0.00 0.00 0.00 0.00 43.42 44.19 2jpn n LEU 6 CO 0.32 -0.50 0.00 1.21 0.00 0.00 0.00 177.39 178.42 2jpn n GLU 7 N -2.50 0.00 0.21 1.96 2.13 -1.26 -5.10 120.64 116.08 2jpn n GLU 7 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jpn n GLU 7 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2jpn n GLU 7 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 2jpn n PHE 8 N -2.71 -4.41 0.17 4.31 7.35 -1.26 -4.73 117.46 116.18 2jpn n PHE 8 Ca 0.00 1.43 0.06 0.00 -0.76 0.00 0.00 57.45 58.18 2jpn n PHE 8 Cb 0.00 3.54 0.54 0.00 0.35 0.00 0.00 39.48 43.91 2jpn n PHE 8 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 2jpn h LYS 9 N 0.00 0.18 0.00 -4.13 1.57 -2.00 -3.30 116.57 108.89 2jpn h LYS 9 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2jpn h LYS 9 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2jpn h LYS 9 CO 0.00 0.15 0.00 1.96 -0.57 0.00 0.00 179.45 180.99 2jpn h GLN 10 N 0.18 0.00 -0.41 3.15 4.20 -1.99 -1.89 115.11 118.36 2jpn h GLN 10 Ca 0.05 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.80 2jpn h GLN 10 Cb 0.04 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 2jpn h GLN 10 CO -0.01 0.00 0.27 0.27 -0.67 0.00 0.00 178.83 178.70 2jpn h PHE 11 N 0.00 0.36 0.00 2.96 -0.00 -2.01 -0.67 116.94 117.59 2jpn h PHE 11 Ca 0.00 0.01 -0.08 0.00 -0.00 0.00 0.00 57.97 57.90 2jpn h PHE 11 Cb 0.51 -0.12 -0.01 0.00 -0.00 0.00 0.00 35.95 36.33 2jpn h PHE 11 CO 0.00 0.20 -0.48 -0.07 -0.00 0.00 0.00 178.31 177.97 2jpn h LEU 12 N 0.37 0.00 0.00 2.10 4.07 -1.63 -2.97 115.31 117.25 2jpn h LEU 12 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 2jpn h LEU 12 Cb 0.23 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.97 2jpn h LEU 12 CO -0.04 0.34 -1.44 -1.22 -1.08 0.00 0.00 178.44 175.00 2jpn n TYR 13 N -3.13 0.34 0.04 1.13 4.01 -0.78 -3.22 117.16 115.55 2jpn n TYR 13 Ca 0.01 0.10 -0.20 0.00 -0.16 0.00 0.00 57.90 57.65 2jpn n TYR 13 Cb 0.68 -0.59 -0.11 0.00 -0.31 0.00 0.00 39.34 39.00 2jpn n TYR 13 CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 2jpn h GLU 14 N 0.00 0.61 -0.96 -0.72 4.81 -1.28 -3.36 114.58 113.69 2jpn h GLU 14 Ca 0.00 -0.70 0.21 0.00 -0.13 0.00 0.00 59.36 58.74 2jpn h GLU 14 Cb 0.91 0.21 -0.08 0.00 0.63 0.00 0.00 28.75 30.42 2jpn h GLU 14 CO 0.00 1.29 0.62 0.00 -0.73 0.00 0.00 179.01 180.19 2jpn h ALA 15 N 0.35 2.10 -0.31 2.92 0.00 -1.58 -3.09 119.26 119.64 2jpn h ALA 15 Ca -0.13 0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.85 2jpn h ALA 15 Cb 1.66 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 2jpn h ALA 15 CO 0.19 -0.43 0.21 0.77 0.00 0.00 0.00 179.25 179.99 2jpn h SER 16 N 0.48 0.23 0.00 0.00 0.02 -1.70 -3.28 113.55 109.31 2jpn h SER 16 Ca 0.52 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 2jpn h SER 16 Cb 1.19 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2jpn h SER 16 CO -0.24 0.16 0.00 -0.38 -1.14 0.00 0.00 176.83 175.23 2jpn n ILE 17 N -4.49 0.08 0.13 3.27 -0.00 -1.17 -4.77 119.36 112.41 2jpn n ILE 17 Ca 0.03 -0.09 -0.02 0.00 -0.00 0.00 0.00 62.75 62.67 2jpn n ILE 17 Cb 0.18 1.15 0.18 0.00 -0.00 0.00 0.00 39.64 41.15 2jpn n ILE 17 CO 0.00 0.00 0.00 -0.78 -0.00 0.00 0.00 176.55 175.77 2jpn h ASP 18 N 0.00 0.04 0.00 4.38 3.58 -1.61 -3.37 116.42 119.44 2jpn h ASP 18 Ca 0.00 -0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2jpn h ASP 18 Cb 0.84 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.88 2jpn h ASP 18 CO 0.00 0.63 -0.24 -0.62 -2.88 0.00 0.00 179.24 176.13 2jpn n GLU 19 N -3.84 0.09 -0.06 0.28 1.02 -1.26 -4.87 120.64 112.00 2jpn n GLU 19 Ca -0.01 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.05 2jpn n GLU 19 Cb 0.60 -0.62 -0.02 0.00 -0.02 0.00 0.00 31.44 31.38 2jpn n GLU 19 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2jpn h PHE 20 N 0.00 0.07 -0.15 -0.32 3.04 -1.86 -0.46 116.94 117.26 2jpn h PHE 20 Ca 0.00 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.00 2jpn h PHE 20 Cb 0.24 0.01 -0.01 0.00 2.56 0.00 0.00 35.95 38.75 2jpn h PHE 20 CO 0.00 0.01 0.11 0.52 -2.02 0.00 0.00 178.31 176.93 2jpn h MET 21 N 0.13 0.02 -0.17 1.11 2.86 -1.87 0.33 114.93 117.34 2jpn h MET 21 Ca 0.11 -0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.54 2jpn h MET 21 Cb 0.11 -0.01 0.01 0.00 0.06 0.00 0.00 31.60 31.77 2jpn h MET 21 CO -0.15 0.02 -0.71 0.78 1.06 0.00 0.00 176.91 177.90 2jpn h GLY 22 N 0.02 0.81 0.96 8.32 0.00 -1.59 0.11 103.07 111.71 2jpn h GLY 22 Ca 0.07 -1.09 -0.07 0.00 0.00 0.00 0.00 47.33 46.24 2jpn h GLY 22 CO -0.00 0.97 0.01 0.07 0.00 0.00 0.00 176.54 177.59 2jpn h LYS 23 N 0.52 0.74 -0.22 4.80 2.10 0.12 0.11 116.57 124.74 2jpn h LYS 23 Ca -0.03 -0.23 -0.16 0.00 -2.00 0.00 0.00 60.65 58.23 2jpn h LYS 23 Cb 1.33 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 2jpn h LYS 23 CO 0.14 0.81 -0.48 -0.84 -2.00 0.00 0.00 179.45 177.08 2jpn h ILE 24 N 0.58 1.31 0.00 0.07 3.07 -1.24 -2.25 117.51 119.04 2jpn h ILE 24 Ca 0.12 -1.70 -0.01 0.00 1.55 0.00 0.00 64.86 64.83 2jpn h ILE 24 Cb 0.47 1.80 -0.00 0.00 -0.27 0.00 0.00 36.82 38.82 2jpn h ILE 24 CO 0.02 0.54 -0.05 0.00 -1.05 0.00 0.00 178.15 177.60 2jpn h ALA 25 N 0.62 1.09 -0.31 0.16 0.00 -0.43 -2.34 119.26 118.06 2jpn h ALA 25 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jpn h ALA 25 Cb 1.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2jpn h ALA 25 CO 0.11 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.29 2jpn n SER 26 N -3.28 3.11 -4.59 0.00 3.41 0.36 -4.99 113.62 107.64 2jpn n SER 26 Ca -0.01 -2.25 -0.42 0.00 -0.26 0.00 0.00 58.87 55.93 2jpn n SER 26 Cb 0.23 -0.30 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 2jpn n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jpn n GLN 28 N 8.49 0.77 -3.70 0.00 3.00 -1.26 -4.71 117.38 119.98 2jpn n GLN 28 Ca 0.18 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 57.04 2jpn n GLN 28 Cb 0.48 -1.04 -0.09 0.00 0.00 0.00 0.00 30.24 29.60 2jpn n GLN 28 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.06 178.01 2jpn s THR 29 N -2.00 0.00 0.19 5.09 -4.23 -1.26 -5.04 115.64 108.39 2jpn s THR 29 Ca 0.03 -0.03 -0.01 0.00 -1.18 0.00 0.00 61.69 60.50 2jpn s THR 29 Cb 0.01 -0.72 -0.09 0.00 1.34 0.00 0.00 72.50 73.05 2jpn s THR 29 CO 0.02 -0.02 1.46 0.25 -0.54 0.00 0.00 174.62 175.80 2jpn h LEU 30 N 5.14 0.49 -1.46 4.79 5.85 -1.84 -1.04 115.31 127.23 2jpn h LEU 30 Ca -0.28 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.15 2jpn h LEU 30 Cb 1.17 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 2jpn h LEU 30 CO 0.21 1.03 0.38 -0.08 -0.34 0.00 0.00 178.44 179.63 2jpn h GLU 31 N 0.30 0.72 -0.15 1.25 4.81 -1.96 0.27 114.58 119.82 2jpn h GLU 31 Ca -0.02 -0.04 -0.17 0.00 -0.13 0.00 0.00 59.36 59.00 2jpn h GLU 31 Cb 1.23 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 30.46 2jpn h GLU 31 CO 0.12 0.47 -0.55 0.78 -0.73 0.00 0.00 179.01 179.10 2jpn h GLY 32 N 0.74 0.71 0.90 1.92 0.00 -1.94 -2.80 103.07 102.60 2jpn h GLY 32 Ca 0.21 -0.95 0.04 0.00 0.00 0.00 0.00 47.33 46.63 2jpn h GLY 32 CO -0.05 0.85 0.64 -2.00 0.00 0.00 0.00 176.54 175.98 2jpn h LEU 33 N 0.32 1.07 -1.33 3.11 5.85 0.15 0.39 115.31 124.86 2jpn h LEU 33 Ca -0.03 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 2jpn h LEU 33 Cb 1.18 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.96 2jpn h LEU 33 CO 0.12 0.73 -0.07 -0.33 -0.34 0.00 0.00 178.44 178.54 2jpn h GLU 34 N 1.23 0.36 -0.09 1.25 4.39 -0.64 0.55 114.58 121.64 2jpn h GLU 34 Ca 0.39 -0.08 -0.23 0.00 0.34 0.00 0.00 59.36 59.78 2jpn h GLU 34 Cb 0.02 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2jpn h GLU 34 CO -0.12 0.45 -0.86 0.93 -1.16 0.00 0.00 179.01 178.25 2jpn h GLU 35 N 0.35 0.67 -0.67 2.33 4.39 -0.84 -0.82 114.58 119.99 2jpn h GLU 35 Ca 0.07 -0.61 -0.02 0.00 0.34 0.00 0.00 59.36 59.15 2jpn h GLU 35 Cb 0.35 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 2jpn h GLU 35 CO 0.02 1.22 0.34 -0.07 -1.16 0.00 0.00 179.01 179.35 2jpn h LEU 36 N 0.43 0.83 -0.41 1.33 3.38 -0.07 0.23 115.31 121.04 2jpn h LEU 36 Ca -0.07 -0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.66 2jpn h LEU 36 Cb 1.49 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2jpn h LEU 36 CO 0.17 0.69 -0.37 -0.08 0.09 0.00 0.00 178.44 178.94 2jpn h GLU 37 N 0.93 0.94 -0.16 1.13 4.22 0.21 0.26 114.58 122.10 2jpn h GLU 37 Ca 0.23 -0.49 -0.03 0.00 0.08 0.00 0.00 59.36 59.16 2jpn h GLU 37 Cb 0.06 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 2jpn h GLU 37 CO -0.03 1.14 -0.02 0.00 -2.18 0.00 0.00 179.01 177.92 2jpn h ALA 38 N 0.79 0.22 -0.17 2.92 0.00 -0.98 -2.41 119.26 119.64 2jpn h ALA 38 Ca 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 2jpn h ALA 38 Cb 0.97 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2jpn h ALA 38 CO 0.09 -0.05 -0.05 -0.92 0.00 0.00 0.00 179.25 178.33 2jpn h TYR 39 N 0.03 0.25 0.62 0.00 3.20 -0.26 0.12 116.97 120.92 2jpn h TYR 39 Ca 0.04 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.87 2jpn h TYR 39 Cb 0.42 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.61 2jpn h TYR 39 CO 0.04 0.31 -0.32 -0.92 -1.64 0.00 0.00 178.16 175.63 2jpn h TYR 40 N 0.24 -0.85 -0.77 -3.82 3.20 -0.52 0.15 116.97 114.62 2jpn h TYR 40 Ca 0.06 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2jpn h TYR 40 Cb 0.25 0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 2jpn h TYR 40 CO 0.00 -0.51 0.49 0.87 -1.64 0.00 0.00 178.16 177.37 2jpn h LYS 41 N -0.87 1.02 -0.20 1.82 1.79 -0.65 -1.34 116.57 118.15 2jpn h LYS 41 Ca -0.08 -0.07 -0.04 0.00 -2.18 0.00 0.00 60.65 58.28 2jpn h LYS 41 Cb 0.68 -0.23 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 2jpn h LYS 41 CO 0.12 0.69 -0.04 0.87 -1.08 0.00 0.00 179.45 180.02 2jpn h LYS 42 N 1.05 0.38 -0.28 3.15 1.79 -0.76 -3.27 116.57 118.63 2jpn h LYS 42 Ca 0.28 -0.14 -0.16 0.00 -2.18 0.00 0.00 60.65 58.45 2jpn h LYS 42 Cb -0.09 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.53 2jpn h LYS 42 CO -0.06 0.62 -0.46 -0.09 -1.08 0.00 0.00 179.45 178.38 2jpn h ARG 43 N 0.11 0.72 0.00 3.15 2.43 -0.72 -3.37 114.38 116.70 2jpn h ARG 43 Ca 0.05 -0.41 -0.03 0.00 -0.81 0.00 0.00 59.98 58.78 2jpn h ARG 43 Cb 0.47 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2jpn h ARG 43 CO 0.02 1.03 -0.16 0.28 -1.51 0.00 0.00 179.97 179.63 2jpn h VAL 44 N 0.58 1.05 -0.08 0.20 2.07 -1.30 0.17 116.25 118.94 2jpn h VAL 44 Ca 0.03 -0.55 -0.16 0.00 0.82 0.00 0.00 66.70 66.85 2jpn h VAL 44 Cb 1.02 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.08 2jpn h VAL 44 CO 0.10 0.15 -0.64 0.07 0.02 0.00 0.00 177.57 177.27 2jpn h LYS 45 N 0.00 0.31 0.00 1.57 2.10 -1.75 -3.35 116.57 115.45 2jpn h LYS 45 Ca -0.00 -0.22 -0.03 0.00 -2.00 0.00 0.00 60.65 58.39 2jpn h LYS 45 Cb 0.29 0.04 -0.00 0.00 -0.90 0.00 0.00 32.23 31.65 2jpn h LYS 45 CO 0.02 0.84 -0.15 1.49 -2.00 0.00 0.00 179.45 179.66 2jpn h GLU 46 N 0.22 0.00 0.00 0.07 4.81 -0.84 -3.47 114.58 115.38 2jpn h GLU 46 Ca -0.01 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2jpn h GLU 46 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2jpn h GLU 46 CO 0.10 0.15 0.00 -2.37 -0.73 0.00 0.00 179.01 176.16 2jpn n THR 47 N -3.19 0.00 -2.73 0.32 5.66 -0.90 -5.11 114.28 108.33 2jpn n THR 47 Ca 0.02 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.97 2jpn n THR 47 Cb 0.50 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.32 2jpn n THR 47 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2jpn n GLU 48 N 0.00 1.50 -1.54 1.09 1.02 -1.26 -4.94 120.64 116.51 2jpn n GLU 48 Ca 0.00 -3.41 -0.21 0.00 -0.02 0.00 0.00 57.16 53.52 2jpn n GLU 48 Cb 0.00 -1.45 -0.11 0.00 -0.02 0.00 0.00 31.44 29.85 2jpn n GLU 48 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2jpn n LEU 49 N -0.34 0.89 -4.48 -4.62 -0.00 -1.26 -4.97 117.00 102.22 2jpn n LEU 49 Ca 0.09 -0.98 -0.28 0.00 -0.00 0.00 0.00 56.01 54.84 2jpn n LEU 49 Cb 0.81 -1.29 0.26 0.00 -0.00 0.00 0.00 43.42 43.19 2jpn n LEU 49 CO 0.18 -2.03 0.51 -1.59 -0.00 0.00 0.00 177.39 174.46 2jpn s LYS 50 N 8.33 -1.10 0.29 1.96 -2.85 -1.26 -4.97 119.74 120.14 2jpn s LYS 50 Ca 1.07 0.77 -0.03 0.00 -1.00 0.00 0.00 55.97 56.79 2jpn s LYS 50 Cb -0.41 -1.54 0.41 0.00 -2.06 0.00 0.00 37.83 34.23 2jpn s LYS 50 CO 0.27 -3.82 1.96 0.38 0.10 0.00 0.00 175.35 174.24 2jpn h ASP 51 N -2.69 0.98 -0.21 0.03 2.03 -2.01 -3.21 116.42 111.35 2jpn h ASP 51 Ca -0.62 -0.03 0.01 0.00 -0.73 0.00 0.00 57.03 55.66 2jpn h ASP 51 Cb 1.34 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 39.58 2jpn h ASP 51 CO 0.51 0.72 0.12 0.74 -1.03 0.00 0.00 179.24 180.29 2jpn h THR 52 N 1.16 1.02 -0.27 1.15 2.02 -1.97 -2.04 112.91 113.97 2jpn h THR 52 Ca 0.31 -0.09 -0.00 0.00 0.77 0.00 0.00 66.41 67.41 2jpn h THR 52 Cb -0.13 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.02 2jpn h THR 52 CO -0.07 0.05 0.16 -0.78 0.37 0.00 0.00 175.52 175.25 2jpn h ASP 53 N 0.25 0.32 -0.31 4.18 1.82 -1.87 -2.87 116.42 117.94 2jpn h ASP 53 Ca 0.08 -0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.67 2jpn h ASP 53 Cb -0.00 -0.08 -0.01 0.00 0.68 0.00 0.00 39.33 39.91 2jpn h ASP 53 CO -0.04 0.27 0.17 -0.78 -1.61 0.00 0.00 179.24 177.25 2jpn h ASP 54 N 0.34 0.40 -0.16 2.28 3.58 -1.41 -0.67 116.42 120.78 2jpn h ASP 54 Ca 0.10 -0.09 -0.05 0.00 0.42 0.00 0.00 57.03 57.40 2jpn h ASP 54 Cb 0.01 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 40.95 2jpn h ASP 54 CO -0.02 0.38 -0.10 0.40 -2.88 0.00 0.00 179.24 177.01 2jpn h ILE 55 N 0.38 1.32 -0.02 2.25 5.03 -1.51 -0.69 117.51 124.27 2jpn h ILE 55 Ca 0.11 -1.20 -0.00 0.00 -0.12 0.00 0.00 64.86 63.65 2jpn h ILE 55 Cb 0.07 1.77 -0.00 0.00 -3.03 0.00 0.00 36.82 35.63 2jpn h ILE 55 CO -0.02 0.35 0.01 0.28 -0.68 0.00 0.00 178.15 178.09 2jpn h SER 56 N 0.01 0.04 -0.22 1.72 0.02 -1.23 -0.30 113.55 113.59 2jpn h SER 56 Ca 0.03 -0.24 -0.06 0.00 -0.84 0.00 0.00 61.79 60.69 2jpn h SER 56 Cb 0.60 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 2jpn h SER 56 CO 0.03 0.26 -0.09 1.62 -1.14 0.00 0.00 176.83 177.51 2jpn h VAL 57 N -0.19 1.30 -0.56 2.27 3.04 -1.26 -3.13 116.25 117.71 2jpn h VAL 57 Ca 0.01 -1.14 -0.06 0.00 -1.01 0.00 0.00 66.70 64.50 2jpn h VAL 57 Cb 0.24 1.59 -0.02 0.00 -2.01 0.00 0.00 31.29 31.08 2jpn h VAL 57 CO 0.00 0.35 0.13 -0.09 -1.01 0.00 0.00 177.57 176.95 2jpn h ARG 58 N 0.16 0.91 0.00 4.17 9.65 -1.01 0.32 114.38 128.59 2jpn h ARG 58 Ca 0.05 -0.22 -0.07 0.00 -1.10 0.00 0.00 59.98 58.64 2jpn h ARG 58 Cb 0.57 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 29.03 2jpn h ARG 58 CO 0.03 0.85 -0.32 0.22 2.80 0.00 0.00 179.97 183.56 2jpn h ASP 59 N 0.81 0.00 -0.22 -3.80 3.58 -1.13 0.47 116.42 116.14 2jpn h ASP 59 Ca 0.18 0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.48 2jpn h ASP 59 Cb 0.36 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2jpn h ASP 59 CO 0.00 0.32 -0.42 0.00 -2.88 0.00 0.00 179.24 176.26 2jpn h ALA 60 N 1.68 0.34 0.08 -0.78 0.00 -1.41 0.04 119.26 119.22 2jpn h ALA 60 Ca -0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 2jpn h ALA 60 Cb 0.56 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2jpn h ALA 60 CO 0.04 0.46 -0.04 1.25 0.00 0.00 0.00 179.25 180.96 2jpn h LEU 61 N 0.37 -0.09 -1.93 0.00 6.46 0.38 0.57 115.31 121.07 2jpn h LEU 61 Ca 0.01 -0.44 0.01 0.00 -0.12 0.00 0.00 57.88 57.34 2jpn h LEU 61 Cb 1.02 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.96 2jpn h LEU 61 CO 0.09 0.42 0.07 0.00 -0.62 0.00 0.00 178.44 178.40 2jpn h ALA 62 N 0.20 1.98 0.17 1.25 0.00 -0.27 0.62 119.26 123.20 2jpn h ALA 62 Ca -0.01 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 2jpn h ALA 62 Cb 0.52 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2jpn h ALA 62 CO 0.02 0.01 -0.24 0.78 0.00 0.00 0.00 179.25 179.81 2jpn h GLY 63 N 0.09 -0.48 1.59 0.00 0.00 -0.42 -2.82 103.07 101.04 2jpn h GLY 63 Ca 0.04 0.28 -0.13 0.00 0.00 0.00 0.00 47.33 47.52 2jpn h GLY 63 CO -0.01 -0.22 -0.44 1.70 0.00 0.00 0.00 176.54 177.58 2jpn h LYS 64 N -0.47 0.45 -0.46 4.80 1.63 0.42 -3.33 116.57 119.61 2jpn h LYS 64 Ca 0.02 -0.23 0.06 0.00 -0.85 0.00 0.00 60.65 59.64 2jpn h LYS 64 Cb 0.47 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.05 2jpn h LYS 64 CO -0.10 0.80 0.16 -0.09 -3.45 0.00 0.00 179.45 176.77 2jpn h ARG 65 N 0.37 0.32 -0.71 1.90 2.43 -0.62 0.21 114.38 118.28 2jpn h ARG 65 Ca 0.03 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 2jpn h ARG 65 Cb 0.91 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.35 2jpn h ARG 65 CO 0.08 0.21 0.47 0.00 -1.51 0.00 0.00 179.97 179.22 2jpn h ALA 66 N 1.31 1.59 -0.11 2.80 0.00 -1.65 0.13 119.26 123.32 2jpn h ALA 66 Ca 0.22 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2jpn h ALA 66 Cb 0.22 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jpn h ALA 66 CO -0.22 0.34 -0.02 0.93 0.00 0.00 0.00 179.25 180.27 2jpn h GLU 67 N 0.87 0.21 -0.11 0.00 4.39 -0.96 -1.64 114.58 117.35 2jpn h GLU 67 Ca 0.28 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.82 2jpn h GLU 67 Cb 0.06 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2jpn h GLU 67 CO -0.08 0.51 -0.33 -0.07 -1.16 0.00 0.00 179.01 177.88 2jpn h LEU 68 N -0.10 0.21 -0.41 1.33 3.38 -0.10 -0.66 115.31 118.97 2jpn h LEU 68 Ca 0.03 -0.07 -0.17 0.00 0.09 0.00 0.00 57.88 57.75 2jpn h LEU 68 Cb 0.43 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2jpn h LEU 68 CO 0.01 0.54 -0.79 -0.33 0.09 0.00 0.00 178.44 177.96 2jpn h GLU 69 N 0.19 0.11 0.00 1.13 5.08 -0.80 -0.74 114.58 119.54 2jpn h GLU 69 Ca 0.02 -0.11 -0.06 0.00 -1.00 0.00 0.00 59.36 58.22 2jpn h GLU 69 Cb 0.68 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2jpn h GLU 69 CO 0.05 0.85 -0.27 0.22 -1.00 0.00 0.00 179.01 178.85 2jpn h ASP 70 N 0.07 0.00 -0.39 1.42 3.58 -1.03 -2.99 116.42 117.07 2jpn h ASP 70 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 2jpn h ASP 70 Cb 1.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.44 2jpn h ASP 70 CO 0.11 0.27 0.00 -0.24 -2.88 0.00 0.00 179.24 176.51 2jpn n SER 71 N -4.03 3.69 0.28 2.28 2.88 -0.28 -4.55 113.62 113.90 2jpn n SER 71 Ca -0.02 -2.46 0.16 0.00 -1.33 0.00 0.00 58.87 55.22 2jpn n SER 71 Cb 0.34 -0.55 0.93 0.00 -0.75 0.00 0.00 64.21 64.17 2jpn n SER 71 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2jpn h ASP 72 N 2.59 0.00 -3.51 -3.46 3.58 -1.03 -3.35 116.42 111.24 2jpn h ASP 72 Ca 0.00 0.00 -0.66 0.00 0.42 0.00 0.00 57.03 56.79 2jpn h ASP 72 Cb 1.27 0.00 -0.27 0.00 1.72 0.00 0.00 39.33 42.05 2jpn h ASP 72 CO 0.25 0.00 -0.68 -0.62 -2.88 0.00 0.00 179.24 175.31 2jpn s ASP 73 N -5.95 4.67 0.37 2.28 2.15 -1.26 -5.07 116.67 113.86 2jpn s ASP 73 Ca -0.05 -0.47 -0.24 0.00 0.43 0.00 0.00 52.55 52.22 2jpn s ASP 73 Cb 0.15 -1.80 -0.10 0.00 -0.30 0.00 0.00 42.92 40.86 2jpn s ASP 73 CO 0.53 -0.07 0.95 -1.61 -0.17 0.00 0.00 175.17 174.79 2jpn s GLU 74 N 1.50 4.41 0.31 4.34 2.02 -1.26 -4.98 118.70 125.05 2jpn s GLU 74 Ca 0.05 1.23 -0.28 0.00 0.02 0.00 0.00 54.97 55.99 2jpn s GLU 74 Cb -0.15 -2.50 -0.13 0.00 0.10 0.00 0.00 34.13 31.44 2jpn s GLU 74 CO -0.01 0.13 1.19 0.28 0.02 0.00 0.00 175.26 176.88 2jpn n VAL 75 N -0.02 1.91 0.00 2.63 0.31 -1.26 -3.53 118.33 118.37 2jpn n VAL 75 Ca 0.04 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.90 2jpn n VAL 75 Cb 0.52 -1.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.11 2jpn n VAL 75 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2jpn n GLU 76 N 0.73 0.00 0.19 5.55 0.28 -1.26 -4.57 120.64 121.56 2jpn n GLU 76 Ca 0.07 0.00 0.04 0.00 -0.16 0.00 0.00 57.16 57.11 2jpn n GLU 76 Cb 0.34 -3.17 0.36 0.00 1.43 0.00 0.00 31.44 30.39 2jpn n GLU 76 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2jpn h GLU 77 N 0.27 0.00 -3.99 3.44 5.08 -1.98 -3.42 114.58 113.97 2jpn h GLU 77 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2jpn h GLU 77 Cb 0.00 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.07 2jpn h GLU 77 CO 0.00 0.39 -0.63 -1.12 -1.00 0.00 0.00 179.01 176.65 2jpn s SER 78 N -6.62 0.29 0.00 1.42 0.01 -1.23 -5.10 113.70 102.47 2jpn s SER 78 Ca -0.01 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 56.59 2jpn s SER 78 Cb 0.12 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.53 2jpn s SER 78 CO 0.70 -0.46 0.00 2.22 0.41 0.00 0.00 173.24 176.11