#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 0.01 -4.73 1.61 7.64 -1.26 -4.90 113.62 112.00 2jpn n SER 2 Ca 0.00 0.50 -0.42 0.00 1.01 0.00 0.00 58.87 59.96 2jpn n SER 2 Cb 0.00 -0.51 -0.01 0.00 -1.01 0.00 0.00 64.21 62.68 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 -1.51 2.62 -3.61 1.43 -0.00 -1.26 -5.03 115.22 107.86 2jpn n HIS 3 Ca 0.05 0.39 -0.10 0.00 -0.00 0.00 0.00 57.72 58.05 2jpn n HIS 3 Cb 0.23 -2.52 -0.03 0.00 -0.00 0.00 0.00 29.99 27.67 2jpn n HIS 3 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2jpn s MET 4 N -1.06 1.36 0.05 1.57 0.00 -1.26 -5.00 119.30 114.96 2jpn s MET 4 Ca 0.61 -0.69 -0.19 0.00 0.00 0.00 0.00 55.69 55.42 2jpn s MET 4 Cb -0.54 0.56 -0.13 0.00 0.00 0.00 0.00 34.83 34.72 2jpn s MET 4 CO 0.54 -0.59 1.36 -0.07 0.00 0.00 0.00 175.02 176.26 2jpn h LEU 5 N 2.10 0.46 0.00 0.18 4.07 -1.96 -3.45 115.31 116.71 2jpn h LEU 5 Ca -0.30 -0.48 0.00 0.00 0.08 0.00 0.00 57.88 57.18 2jpn h LEU 5 Cb 1.28 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.89 2jpn h LEU 5 CO 0.37 0.84 0.00 -0.11 -1.08 0.00 0.00 178.44 178.46 2jpn n LEU 6 N -4.49 0.00 -4.16 1.67 0.00 -1.26 -5.12 117.00 103.64 2jpn n LEU 6 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.82 2jpn n LEU 6 Cb 0.39 0.00 -0.11 0.00 0.00 0.00 0.00 43.42 43.70 2jpn n LEU 6 CO 0.40 0.00 -0.41 -1.61 0.00 0.00 0.00 177.39 175.78 2jpn s GLU 7 N -0.99 0.79 0.58 1.96 2.02 -1.26 -5.07 118.70 116.73 2jpn s GLU 7 Ca 0.00 -1.14 0.32 0.00 0.02 0.00 0.00 54.97 54.17 2jpn s GLU 7 Cb 0.00 -0.41 1.77 0.00 0.10 0.00 0.00 34.13 35.59 2jpn s GLU 7 CO 0.00 0.05 2.19 0.74 0.02 0.00 0.00 175.26 178.26 2jpn h PHE 8 N 3.57 0.00 -0.05 1.61 0.04 -1.96 -3.15 116.94 117.00 2jpn h PHE 8 Ca -0.37 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.30 2jpn h PHE 8 Cb 1.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.32 2jpn h PHE 8 CO 0.62 0.05 -0.43 0.87 -0.60 0.00 0.00 178.31 178.83 2jpn h LYS 9 N 0.00 0.12 0.00 1.51 1.57 -2.02 -3.35 116.57 114.40 2jpn h LYS 9 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2jpn h LYS 9 Cb 0.17 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2jpn h LYS 9 CO 0.01 0.53 0.00 1.04 -0.57 0.00 0.00 179.45 180.46 2jpn n GLN 10 N -4.02 0.16 0.02 3.15 6.02 -1.19 -2.67 117.38 118.85 2jpn n GLN 10 Ca -0.02 0.28 0.09 0.00 -0.01 0.00 0.00 57.00 57.35 2jpn n GLN 10 Cb 0.47 -1.75 0.51 0.00 1.02 0.00 0.00 30.24 30.49 2jpn n GLN 10 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 2jpn h PHE 11 N 0.00 0.35 0.00 1.08 -0.00 -1.82 -0.94 116.94 115.61 2jpn h PHE 11 Ca 0.00 0.01 -0.05 0.00 -0.00 0.00 0.00 57.97 57.93 2jpn h PHE 11 Cb 0.48 -0.12 -0.01 0.00 -0.00 0.00 0.00 35.95 36.30 2jpn h PHE 11 CO 0.00 0.20 -0.31 -0.07 -0.00 0.00 0.00 178.31 178.13 2jpn h LEU 12 N 0.35 0.00 0.00 2.10 4.07 -1.82 -2.85 115.31 117.16 2jpn h LEU 12 Ca 0.17 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 58.01 2jpn h LEU 12 Cb 0.24 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.96 2jpn h LEU 12 CO -0.04 0.24 -1.61 -1.22 -1.08 0.00 0.00 178.44 174.73 2jpn n TYR 13 N -3.13 0.62 0.14 1.13 4.01 -0.70 -3.47 117.16 115.76 2jpn n TYR 13 Ca 0.03 0.20 0.02 0.00 -0.16 0.00 0.00 57.90 57.98 2jpn n TYR 13 Cb 0.63 -0.92 0.12 0.00 -0.31 0.00 0.00 39.34 38.86 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 0.00 -0.60 -0.72 4.81 -1.33 -3.38 114.58 113.36 2jpn h GLU 14 Ca -0.15 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.10 2jpn h GLU 14 Cb 1.44 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.78 2jpn h GLU 14 CO 0.02 0.55 0.37 0.00 -0.73 0.00 0.00 179.01 179.23 2jpn h ALA 15 N 1.45 0.78 -0.40 2.92 0.00 -1.53 -3.35 119.26 119.13 2jpn h ALA 15 Ca -0.01 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2jpn h ALA 15 Cb 1.26 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2jpn h ALA 15 CO 0.07 0.12 0.27 0.77 0.00 0.00 0.00 179.25 180.48 2jpn h SER 16 N 0.74 0.36 0.00 0.00 0.02 -1.75 -3.20 113.55 109.72 2jpn h SER 16 Ca 0.24 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 2jpn h SER 16 Cb 0.01 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2jpn h SER 16 CO -0.09 0.25 0.00 -0.38 -1.14 0.00 0.00 176.83 175.47 2jpn n ILE 17 N -4.48 0.16 0.10 3.27 -0.00 -1.26 -4.57 119.36 112.58 2jpn n ILE 17 Ca 0.04 -0.28 -0.04 0.00 -0.00 0.00 0.00 62.75 62.47 2jpn n ILE 17 Cb 0.15 1.28 0.14 0.00 -0.00 0.00 0.00 39.64 41.22 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 0.18 0.00 4.38 3.58 -1.68 -3.39 116.42 119.50 2jpn h ASP 18 Ca 0.00 -0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.35 2jpn h ASP 18 Cb 0.50 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.49 2jpn h ASP 18 CO 0.00 0.74 -0.13 -1.84 -2.88 0.00 0.00 179.24 175.13 2jpn n GLU 19 N -3.86 0.36 -0.05 0.28 0.28 -1.26 -4.91 120.64 111.48 2jpn n GLU 19 Ca -0.02 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.90 2jpn n GLU 19 Cb 0.61 -0.57 -0.02 0.00 1.43 0.00 0.00 31.44 32.89 2jpn n GLU 19 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 177.13 177.32 2jpn h PHE 20 N 0.00 0.09 -0.35 -1.84 3.04 -1.81 0.98 116.94 117.05 2jpn h PHE 20 Ca 0.00 0.01 0.03 0.00 3.98 0.00 0.00 57.97 61.99 2jpn h PHE 20 Cb 0.13 -0.01 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 2jpn h PHE 20 CO 0.00 0.03 0.24 0.52 -2.02 0.00 0.00 178.31 177.08 2jpn h MET 21 N 0.15 0.35 -0.15 1.11 2.86 -1.83 0.31 114.93 117.73 2jpn h MET 21 Ca 0.10 -0.02 -0.21 0.00 -2.06 0.00 0.00 59.70 57.51 2jpn h MET 21 Cb 0.10 -0.08 0.01 0.00 0.06 0.00 0.00 31.60 31.68 2jpn h MET 21 CO -0.13 0.23 -0.75 0.78 1.06 0.00 0.00 176.91 178.10 2jpn h GLY 22 N 0.36 0.80 0.98 8.32 0.00 -1.61 -0.95 103.07 110.97 2jpn h GLY 22 Ca 0.14 -1.11 -0.04 0.00 0.00 0.00 0.00 47.33 46.33 2jpn h GLY 22 CO -0.03 0.99 0.18 0.07 0.00 0.00 0.00 176.54 177.75 2jpn h LYS 23 N 0.50 0.79 0.20 4.80 2.10 0.20 0.24 116.57 125.41 2jpn h LYS 23 Ca -0.04 -0.16 -0.01 0.00 -2.00 0.00 0.00 60.65 58.44 2jpn h LYS 23 Cb 1.37 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 2jpn h LYS 23 CO 0.15 0.72 -0.10 -0.84 -2.00 0.00 0.00 179.45 177.38 2jpn h ILE 24 N 0.70 0.77 0.00 0.07 3.07 -1.08 -2.24 117.51 118.80 2jpn h ILE 24 Ca 0.17 -0.99 -0.03 0.00 1.55 0.00 0.00 64.86 65.57 2jpn h ILE 24 Cb 0.25 1.25 -0.00 0.00 -0.27 0.00 0.00 36.82 38.05 2jpn h ILE 24 CO -0.01 0.19 -0.12 0.00 -1.05 0.00 0.00 178.15 177.15 2jpn h ALA 25 N -0.33 1.01 -0.31 0.16 0.00 -1.10 -2.36 119.26 116.34 2jpn h ALA 25 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2jpn h ALA 25 Cb 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2jpn h ALA 25 CO 0.05 0.15 0.00 0.45 0.00 0.00 0.00 179.25 179.90 2jpn n SER 26 N -3.25 3.12 -0.16 0.00 2.88 0.84 -4.76 113.62 112.29 2jpn n SER 26 Ca 0.01 -2.25 0.19 0.00 -1.33 0.00 0.00 58.87 55.48 2jpn n SER 26 Cb 0.39 -0.30 0.57 0.00 -0.75 0.00 0.00 64.21 64.12 2jpn n SER 26 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jpn n GLN 28 N -4.44 0.00 -3.77 0.00 6.02 -1.26 -4.92 117.38 109.01 2jpn n GLN 28 Ca 0.16 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 57.02 2jpn n GLN 28 Cb 0.66 -2.55 -0.12 0.00 1.02 0.00 0.00 30.24 29.26 2jpn n GLN 28 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2jpn s THR 29 N -3.09 -0.01 0.20 5.09 -4.23 -1.26 -5.03 115.64 107.31 2jpn s THR 29 Ca 0.00 0.03 -0.00 0.00 -1.18 0.00 0.00 61.69 60.53 2jpn s THR 29 Cb 0.00 -0.39 -0.06 0.00 1.34 0.00 0.00 72.50 73.39 2jpn s THR 29 CO 0.00 0.01 1.51 0.25 -0.54 0.00 0.00 174.62 175.85 2jpn h LEU 30 N 6.02 0.49 -1.47 4.79 5.85 -1.88 -1.84 115.31 127.27 2jpn h LEU 30 Ca -0.29 -0.27 0.03 0.00 0.84 0.00 0.00 57.88 58.19 2jpn h LEU 30 Cb 1.19 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 2jpn h LEU 30 CO 0.34 0.97 0.39 -0.08 -0.34 0.00 0.00 178.44 179.72 2jpn h GLU 31 N 0.32 0.68 -0.17 1.25 4.81 -1.96 0.28 114.58 119.79 2jpn h GLU 31 Ca -0.00 -0.04 -0.20 0.00 -0.13 0.00 0.00 59.36 58.98 2jpn h GLU 31 Cb 1.13 -0.15 0.01 0.00 0.63 0.00 0.00 28.75 30.36 2jpn h GLU 31 CO 0.10 0.45 -0.68 0.78 -0.73 0.00 0.00 179.01 178.93 2jpn h GLY 32 N 0.70 0.85 0.90 1.92 0.00 -1.89 -2.55 103.07 103.00 2jpn h GLY 32 Ca 0.24 -1.15 0.03 0.00 0.00 0.00 0.00 47.33 46.45 2jpn h GLY 32 CO -0.06 1.02 0.54 -2.00 0.00 0.00 0.00 176.54 176.04 2jpn h LEU 33 N 0.50 0.91 -1.28 3.11 5.85 -0.22 0.30 115.31 124.48 2jpn h LEU 33 Ca -0.04 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.62 2jpn h LEU 33 Cb 1.31 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2jpn h LEU 33 CO 0.14 0.63 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.40 2jpn h GLU 34 N 1.07 0.31 -0.09 1.25 4.39 -0.65 0.47 114.58 121.34 2jpn h GLU 34 Ca 0.33 -0.08 -0.15 0.00 0.34 0.00 0.00 59.36 59.80 2jpn h GLU 34 Cb -0.02 -0.04 0.01 0.00 -0.10 0.00 0.00 28.75 28.60 2jpn h GLU 34 CO -0.11 0.46 -0.53 0.93 -1.16 0.00 0.00 179.01 178.60 2jpn h GLU 35 N 0.29 0.53 -0.65 2.33 4.39 -0.81 -2.00 114.58 118.66 2jpn h GLU 35 Ca 0.06 -0.44 -0.02 0.00 0.34 0.00 0.00 59.36 59.30 2jpn h GLU 35 Cb 0.44 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.15 2jpn h GLU 35 CO 0.03 1.07 0.33 -0.07 -1.16 0.00 0.00 179.01 179.21 2jpn h LEU 36 N 0.12 0.81 -0.55 1.33 4.07 -0.39 0.25 115.31 120.95 2jpn h LEU 36 Ca -0.04 -0.07 -0.03 0.00 0.08 0.00 0.00 57.88 57.81 2jpn h LEU 36 Cb 1.19 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.69 2jpn h LEU 36 CO 0.11 0.68 0.22 -0.08 -1.08 0.00 0.00 178.44 178.29 2jpn h GLU 37 N 0.91 0.83 -0.08 1.13 4.22 0.03 0.21 114.58 121.83 2jpn h GLU 37 Ca 0.23 -0.15 -0.01 0.00 0.08 0.00 0.00 59.36 59.51 2jpn h GLU 37 Cb 0.06 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.18 2jpn h GLU 37 CO -0.03 0.72 0.00 0.00 -2.18 0.00 0.00 179.01 177.51 2jpn h ALA 38 N 1.07 0.10 -0.27 2.92 0.00 -1.17 -2.44 119.26 119.47 2jpn h ALA 38 Ca 0.19 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2jpn h ALA 38 Cb 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2jpn h ALA 38 CO -0.02 -0.22 0.02 -0.92 0.00 0.00 0.00 179.25 178.11 2jpn h TYR 39 N -0.15 0.40 0.60 0.00 5.03 0.03 0.14 116.97 123.02 2jpn h TYR 39 Ca 0.02 -0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.28 2jpn h TYR 39 Cb 0.34 -0.12 0.00 0.00 1.55 0.00 0.00 36.73 38.50 2jpn h TYR 39 CO 0.03 0.39 -0.31 -0.92 -1.32 0.00 0.00 178.16 176.03 2jpn h TYR 40 N 0.39 -0.81 -0.51 -3.82 3.20 -0.66 0.61 116.97 115.37 2jpn h TYR 40 Ca 0.09 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 2jpn h TYR 40 Cb 0.23 0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.75 2jpn h TYR 40 CO 0.01 -0.49 0.22 0.87 -1.64 0.00 0.00 178.16 177.12 2jpn h LYS 41 N -0.84 0.73 -0.56 1.82 1.79 -0.66 -2.16 116.57 116.69 2jpn h LYS 41 Ca -0.08 -0.10 -0.11 0.00 -2.18 0.00 0.00 60.65 58.18 2jpn h LYS 41 Cb 0.66 -0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.15 2jpn h LYS 41 CO 0.12 0.59 -0.08 0.87 -1.08 0.00 0.00 179.45 179.86 2jpn h LYS 42 N 0.72 1.04 -0.17 3.15 1.79 -0.73 -3.32 116.57 119.05 2jpn h LYS 42 Ca 0.18 -0.37 -0.08 0.00 -2.18 0.00 0.00 60.65 58.20 2jpn h LYS 42 Cb 0.12 -0.07 -0.00 0.00 -1.58 0.00 0.00 32.23 30.69 2jpn h LYS 42 CO -0.02 1.06 -0.20 -0.09 -1.08 0.00 0.00 179.45 179.12 2jpn h ARG 43 N 0.92 0.44 -1.05 3.15 2.43 -0.42 -3.36 114.38 116.49 2jpn h ARG 43 Ca 0.15 -0.25 0.30 0.00 -0.81 0.00 0.00 59.98 59.38 2jpn h ARG 43 Cb 0.65 0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 30.09 2jpn h ARG 43 CO 0.04 0.82 0.64 0.28 -1.51 0.00 0.00 179.97 180.24 2jpn h VAL 44 N 0.09 0.39 0.10 0.20 2.07 -1.50 0.15 116.25 117.75 2jpn h VAL 44 Ca 0.02 -0.13 -0.27 0.00 0.82 0.00 0.00 66.70 67.14 2jpn h VAL 44 Cb 0.76 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 2jpn h VAL 44 CO 0.05 0.07 -1.31 0.07 0.02 0.00 0.00 177.57 176.47 2jpn h LYS 45 N 0.38 0.20 0.00 1.57 2.10 -1.77 -3.28 116.57 115.76 2jpn h LYS 45 Ca 0.69 -0.35 0.00 0.00 -2.00 0.00 0.00 60.65 59.00 2jpn h LYS 45 Cb 1.64 0.13 0.00 0.00 -0.90 0.00 0.00 32.23 33.10 2jpn h LYS 45 CO -0.48 1.11 0.00 1.49 -2.00 0.00 0.00 179.45 179.57 2jpn h GLU 46 N 0.06 0.00 0.00 0.07 4.57 -0.90 -3.46 114.58 114.91 2jpn h GLU 46 Ca -0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 2jpn h GLU 46 Cb 1.95 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.54 2jpn h GLU 46 CO 0.17 0.00 0.00 -2.37 -1.18 0.00 0.00 179.01 175.63 2jpn n THR 47 N -2.51 0.00 -2.97 0.32 5.66 -0.49 -5.09 114.28 109.20 2jpn n THR 47 Ca 0.04 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.82 2jpn n THR 47 Cb 0.37 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.13 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 2.20 -1.97 1.09 1.02 -1.26 -4.85 120.64 116.87 2jpn n GLU 48 Ca 0.00 -4.12 -0.25 0.00 -0.02 0.00 0.00 57.16 52.77 2jpn n GLU 48 Cb 0.00 -1.95 -0.06 0.00 -0.02 0.00 0.00 31.44 29.41 2jpn n GLU 48 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2jpn s LEU 49 N -3.05 3.05 1.04 -4.62 0.20 -1.24 -4.97 118.68 109.09 2jpn s LEU 49 Ca 0.44 -0.89 -0.19 0.00 0.69 0.00 0.00 54.13 54.17 2jpn s LEU 49 Cb 0.33 -2.57 -0.02 0.00 -0.43 0.00 0.00 46.19 43.50 2jpn s LEU 49 CO -0.11 -3.09 -0.42 2.29 -0.29 0.00 0.00 176.35 174.73 2jpn n LYS 50 N 8.65 -0.69 -0.04 1.98 0.00 -1.26 -4.94 118.16 121.87 2jpn n LYS 50 Ca 0.42 -0.18 0.01 0.00 -0.00 0.00 0.00 58.31 58.55 2jpn n LYS 50 Cb 0.46 -1.45 0.31 0.00 -0.00 0.00 0.00 35.03 34.35 2jpn n LYS 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2jpn h ASP 51 N -1.54 0.56 -0.48 -5.58 3.32 -2.00 -3.22 116.42 107.48 2jpn h ASP 51 Ca -0.46 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 56.51 2jpn h ASP 51 Cb 1.34 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 2jpn h ASP 51 CO 0.31 0.54 0.27 0.74 -1.72 0.00 0.00 179.24 179.38 2jpn h THR 52 N 0.61 1.17 -0.26 0.35 2.02 -1.97 -1.98 112.91 112.83 2jpn h THR 52 Ca 0.14 -0.41 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 2jpn h THR 52 Cb 0.18 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 2jpn h THR 52 CO -0.01 0.17 0.16 -0.78 0.37 0.00 0.00 175.52 175.43 2jpn h ASP 53 N 0.64 0.32 -0.34 4.18 1.82 -1.90 -2.87 116.42 118.27 2jpn h ASP 53 Ca 0.17 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.75 2jpn h ASP 53 Cb 0.04 -0.08 -0.02 0.00 0.68 0.00 0.00 39.33 39.95 2jpn h ASP 53 CO -0.03 0.29 0.22 -0.78 -1.61 0.00 0.00 179.24 177.32 2jpn h ASP 54 N 0.33 0.39 -0.15 2.28 3.58 -1.44 -0.09 116.42 121.32 2jpn h ASP 54 Ca 0.09 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.47 2jpn h ASP 54 Cb 0.03 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 40.98 2jpn h ASP 54 CO -0.02 0.30 -0.10 0.16 -2.88 0.00 0.00 179.24 176.71 2jpn h ILE 55 N 0.45 1.33 -0.00 2.25 3.07 -1.62 0.18 117.51 123.16 2jpn h ILE 55 Ca 0.12 -1.18 -0.00 0.00 1.55 0.00 0.00 64.86 65.35 2jpn h ILE 55 Cb -0.03 1.79 -0.00 0.00 -0.27 0.00 0.00 36.82 38.31 2jpn h ILE 55 CO -0.03 0.35 0.00 0.28 -1.05 0.00 0.00 178.15 177.70 2jpn h SER 56 N -0.03 0.01 -0.21 2.16 0.02 -1.10 -0.50 113.55 113.90 2jpn h SER 56 Ca 0.03 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.69 2jpn h SER 56 Cb 0.59 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 2jpn h SER 56 CO 0.03 0.24 -0.08 1.62 -1.14 0.00 0.00 176.83 177.50 2jpn h VAL 57 N -0.23 1.30 -0.77 2.27 3.04 -1.19 -3.06 116.25 117.61 2jpn h VAL 57 Ca 0.00 -1.11 -0.01 0.00 -1.01 0.00 0.00 66.70 64.57 2jpn h VAL 57 Cb 0.24 1.60 -0.04 0.00 -2.01 0.00 0.00 31.29 31.08 2jpn h VAL 57 CO 0.00 0.34 0.43 -0.09 -1.01 0.00 0.00 177.57 177.24 2jpn h ARG 58 N 0.12 1.06 0.00 4.17 9.65 -0.54 0.37 114.38 129.22 2jpn h ARG 58 Ca 0.05 -0.12 -0.09 0.00 -1.10 0.00 0.00 59.98 58.72 2jpn h ARG 58 Cb 0.55 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 2jpn h ARG 58 CO 0.03 0.78 -0.42 0.22 2.80 0.00 0.00 179.97 183.38 2jpn h ASP 59 N 1.06 0.00 -0.24 -3.80 3.58 -1.15 0.44 116.42 116.30 2jpn h ASP 59 Ca 0.27 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 57.57 2jpn h ASP 59 Cb 0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.06 2jpn h ASP 59 CO -0.05 0.42 -0.45 0.00 -2.88 0.00 0.00 179.24 176.28 2jpn h ALA 60 N 1.58 0.38 0.08 -0.78 0.00 -1.34 -0.52 119.26 118.66 2jpn h ALA 60 Ca -0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 2jpn h ALA 60 Cb 0.81 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.54 2jpn h ALA 60 CO 0.05 0.52 -0.04 1.25 0.00 0.00 0.00 179.25 181.03 2jpn h LEU 61 N 0.45 -0.09 -1.93 0.00 6.46 0.45 0.48 115.31 121.13 2jpn h LEU 61 Ca 0.01 -0.44 -0.00 0.00 -0.12 0.00 0.00 57.88 57.33 2jpn h LEU 61 Cb 1.05 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 41.00 2jpn h LEU 61 CO 0.10 0.43 0.03 0.00 -0.62 0.00 0.00 178.44 178.38 2jpn h ALA 62 N 0.20 1.95 0.32 1.25 0.00 -0.35 0.24 119.26 122.88 2jpn h ALA 62 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2jpn h ALA 62 Cb 0.53 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2jpn h ALA 62 CO 0.02 0.04 -0.28 0.78 0.00 0.00 0.00 179.25 179.81 2jpn h GLY 63 N 0.09 -0.65 1.60 0.00 0.00 -0.50 -2.90 103.07 100.71 2jpn h GLY 63 Ca 0.02 0.32 -0.13 0.00 0.00 0.00 0.00 47.33 47.54 2jpn h GLY 63 CO -0.00 -0.25 -0.45 1.70 0.00 0.00 0.00 176.54 177.54 2jpn h LYS 64 N -0.61 0.44 -0.40 4.80 1.63 0.08 -3.38 116.57 119.12 2jpn h LYS 64 Ca -0.02 -0.23 0.05 0.00 -0.85 0.00 0.00 60.65 59.60 2jpn h LYS 64 Cb 0.55 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.14 2jpn h LYS 64 CO -0.03 0.80 0.12 -0.09 -3.45 0.00 0.00 179.45 176.81 2jpn h ARG 65 N 0.36 0.27 -0.65 1.90 2.43 -0.73 0.24 114.38 118.20 2jpn h ARG 65 Ca 0.03 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.19 2jpn h ARG 65 Cb 0.93 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 2jpn h ARG 65 CO 0.08 0.18 0.43 0.00 -1.51 0.00 0.00 179.97 179.14 2jpn h ALA 66 N 1.28 1.57 -0.12 2.80 0.00 -1.72 0.20 119.26 123.27 2jpn h ALA 66 Ca 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2jpn h ALA 66 Cb 0.19 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jpn h ALA 66 CO -0.21 0.38 -0.03 0.93 0.00 0.00 0.00 179.25 180.33 2jpn h GLU 67 N 0.84 0.23 -0.12 0.00 4.39 -0.95 -0.75 114.58 118.22 2jpn h GLU 67 Ca 0.24 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 59.77 2jpn h GLU 67 Cb -0.05 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.58 2jpn h GLU 67 CO -0.06 0.52 -0.31 -0.07 -1.16 0.00 0.00 179.01 177.94 2jpn h LEU 68 N -0.08 0.24 -0.40 1.33 3.38 -0.17 0.48 115.31 120.09 2jpn h LEU 68 Ca 0.03 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.74 2jpn h LEU 68 Cb 0.44 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2jpn h LEU 68 CO 0.01 0.55 -0.80 -0.33 0.09 0.00 0.00 178.44 177.96 2jpn h GLU 69 N 0.21 0.12 0.00 1.13 5.08 -0.99 -0.74 114.58 119.38 2jpn h GLU 69 Ca 0.03 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2jpn h GLU 69 Cb 0.66 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2jpn h GLU 69 CO 0.05 0.86 0.00 -0.25 -1.00 0.00 0.00 179.01 178.67 2jpn n ASP 70 N -3.67 0.16 -0.97 1.42 8.00 -0.29 -3.11 116.55 118.10 2jpn n ASP 70 Ca -0.02 0.53 0.03 0.00 0.71 0.00 0.00 54.79 56.04 2jpn n ASP 70 Cb 0.76 -0.57 0.23 0.00 -0.02 0.00 0.00 41.12 41.52 2jpn n ASP 70 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2jpn n SER 71 N -1.67 3.21 0.25 -2.24 2.88 0.14 -4.83 113.62 111.35 2jpn n SER 71 Ca 0.04 -3.34 0.17 0.00 -1.33 0.00 0.00 58.87 54.41 2jpn n SER 71 Cb 0.24 -0.58 0.86 0.00 -0.75 0.00 0.00 64.21 63.98 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 1.34 0.00 -3.38 -3.46 3.58 -1.12 -3.41 116.42 109.97 2jpn h ASP 72 Ca 0.10 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.98 2jpn h ASP 72 Cb 1.53 0.00 -0.33 0.00 1.72 0.00 0.00 39.33 42.24 2jpn h ASP 72 CO 0.29 0.00 -0.83 -0.62 -2.88 0.00 0.00 179.24 175.20 2jpn s ASP 73 N -4.68 2.20 -0.04 2.28 -1.08 -1.26 -4.96 116.67 109.13 2jpn s ASP 73 Ca -0.03 -0.38 0.00 0.00 -0.52 0.00 0.00 52.55 51.63 2jpn s ASP 73 Cb 0.10 -1.01 0.02 0.00 -1.46 0.00 0.00 42.92 40.57 2jpn s ASP 73 CO 0.34 0.07 -0.02 -1.61 0.52 0.00 0.00 175.17 174.46 2jpn s GLU 74 N 0.61 0.53 0.00 4.34 0.41 -0.86 -4.90 118.70 118.84 2jpn s GLU 74 Ca -0.15 0.01 0.00 0.00 -0.41 0.00 0.00 54.97 54.42 2jpn s GLU 74 Cb -0.16 -0.67 0.00 0.00 -1.78 0.00 0.00 34.13 31.52 2jpn s GLU 74 CO 0.05 -0.13 0.00 0.28 -0.49 0.00 0.00 175.26 174.96 2jpn n VAL 75 N 4.22 0.00 0.00 2.63 0.31 -1.26 -1.58 118.33 122.65 2jpn n VAL 75 Ca -0.24 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2jpn n VAL 75 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 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 0.00 0.00 0.12 5.55 0.28 -1.26 -5.03 120.64 120.30 2jpn n GLU 76 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2jpn n GLU 76 Cb 0.00 -0.33 0.00 0.00 1.43 0.00 0.00 31.44 32.54 2jpn n GLU 76 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2jpn n GLU 77 N -1.52 0.00 -3.71 3.44 1.02 -0.76 -5.11 120.64 114.00 2jpn n GLU 77 Ca 0.00 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.04 2jpn n GLU 77 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 2jpn n GLU 77 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2jpn s SER 78 N -2.56 -0.22 0.00 1.62 1.04 -0.62 -2.02 113.70 110.95 2jpn s SER 78 Ca 0.00 -0.44 0.00 0.00 0.48 0.00 0.00 55.95 55.99 2jpn s SER 78 Cb 0.00 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2jpn s SER 78 CO 0.00 -0.94 0.00 0.33 0.98 0.00 0.00 173.24 173.61