#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 0.22 -4.69 1.61 3.41 -1.26 -5.12 113.62 107.80 2jpn n SER 2 Ca 0.00 -1.15 -0.31 0.00 -0.26 0.00 0.00 58.87 57.15 2jpn n SER 2 Cb 0.00 -0.01 0.16 0.00 -0.26 0.00 0.00 64.21 64.10 2jpn n SER 2 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 2jpn s HIS 3 N -0.12 1.80 0.06 7.33 0.00 -1.26 -5.09 115.29 118.01 2jpn s HIS 3 Ca 0.00 1.72 -0.00 0.00 -3.00 0.00 0.00 55.06 53.78 2jpn s HIS 3 Cb 0.00 -3.28 -0.04 0.00 -4.00 0.00 0.00 32.58 25.26 2jpn s HIS 3 CO 0.00 -2.66 -0.04 -1.64 -1.00 0.00 0.00 174.74 169.41 2jpn s MET 4 N -4.70 0.64 0.30 -0.38 1.00 -1.26 -5.08 119.30 109.82 2jpn s MET 4 Ca 0.66 -1.22 0.25 0.00 0.00 0.00 0.00 55.69 55.38 2jpn s MET 4 Cb -0.22 0.12 0.72 0.00 0.00 0.00 0.00 34.83 35.45 2jpn s MET 4 CO 0.58 -0.09 1.73 -0.07 0.00 0.00 0.00 175.02 177.17 2jpn h LEU 5 N 3.18 0.00 0.00 -0.03 3.38 -1.98 -3.47 115.31 116.38 2jpn h LEU 5 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2jpn h LEU 5 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 2jpn h LEU 5 CO 0.65 0.00 0.00 -0.11 0.09 0.00 0.00 178.44 179.07 2jpn n LEU 6 N -2.54 0.00 -3.20 1.67 7.94 -1.26 -4.64 117.00 114.97 2jpn n LEU 6 Ca 0.05 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.71 2jpn n LEU 6 Cb 0.44 -0.09 -0.06 0.00 0.53 0.00 0.00 43.42 44.24 2jpn n LEU 6 CO 0.30 0.00 -0.12 -0.62 -1.11 0.00 0.00 177.39 175.85 2jpn n GLU 7 N -1.15 1.64 0.09 1.96 1.02 -1.26 -5.03 120.64 117.91 2jpn n GLU 7 Ca 0.00 -3.89 0.17 0.00 -0.02 0.00 0.00 57.16 53.42 2jpn n GLU 7 Cb 0.00 -1.76 0.70 0.00 -0.02 0.00 0.00 31.44 30.36 2jpn n GLU 7 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2jpn h PHE 8 N 3.62 0.00 -0.09 -0.32 -0.00 -2.00 -3.09 116.94 115.06 2jpn h PHE 8 Ca 0.12 0.00 -0.04 0.00 -0.00 0.00 0.00 57.97 58.05 2jpn h PHE 8 Cb 0.79 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.73 2jpn h PHE 8 CO 0.56 0.00 -0.12 -0.22 -0.00 0.00 0.00 178.31 178.53 2jpn h LYS 9 N 0.00 0.13 0.00 6.09 3.64 -1.98 -3.37 116.57 121.08 2jpn h LYS 9 Ca 0.17 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.50 2jpn h LYS 9 Cb 0.71 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2jpn h LYS 9 CO -0.00 0.26 -0.12 1.96 -2.27 0.00 0.00 179.45 179.28 2jpn h GLN 10 N 0.13 0.00 -0.40 1.90 7.50 -1.98 -1.57 115.11 120.69 2jpn h GLN 10 Ca 0.03 0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.22 2jpn h GLN 10 Cb 0.30 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.80 2jpn h GLN 10 CO 0.02 0.12 0.27 0.27 -1.50 0.00 0.00 178.83 178.01 2jpn h PHE 11 N 0.00 0.35 0.00 2.96 -0.00 -1.85 -1.35 116.94 117.05 2jpn h PHE 11 Ca -0.00 0.01 -0.04 0.00 -0.00 0.00 0.00 57.97 57.93 2jpn h PHE 11 Cb 0.26 -0.12 -0.01 0.00 -0.00 0.00 0.00 35.95 36.09 2jpn h PHE 11 CO 0.00 0.20 -0.20 -0.07 -0.00 0.00 0.00 178.31 178.23 2jpn h LEU 12 N 0.35 0.00 0.00 2.10 4.07 -1.59 -2.95 115.31 117.29 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 0.22 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 2jpn h LEU 12 CO -0.04 0.20 -1.45 -1.22 -1.08 0.00 0.00 178.44 174.85 2jpn n TYR 13 N -3.19 0.39 0.08 1.13 4.02 -0.58 -3.35 117.16 115.66 2jpn n TYR 13 Ca 0.02 0.11 -0.10 0.00 -0.01 0.00 0.00 57.90 57.92 2jpn n TYR 13 Cb 0.56 -0.64 -0.03 0.00 -0.02 0.00 0.00 39.34 39.21 2jpn n TYR 13 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 2jpn h GLU 14 N 0.00 0.26 -0.99 -0.72 5.08 -1.46 -3.40 114.58 113.36 2jpn h GLU 14 Ca 0.00 -0.29 0.04 0.00 -1.00 0.00 0.00 59.36 58.11 2jpn h GLU 14 Cb 0.94 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 30.22 2jpn h GLU 14 CO 0.00 1.01 0.64 0.00 -1.00 0.00 0.00 179.01 179.67 2jpn h ALA 15 N 0.88 1.37 -0.05 3.43 0.00 -1.52 -3.28 119.26 120.10 2jpn h ALA 15 Ca -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2jpn h ALA 15 Cb 1.56 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jpn h ALA 15 CO 0.15 0.52 0.07 0.77 0.00 0.00 0.00 179.25 180.76 2jpn h SER 16 N 1.23 0.00 0.00 0.00 0.02 -1.77 -2.99 113.55 110.04 2jpn h SER 16 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 2jpn h SER 16 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2jpn h SER 16 CO -0.13 0.00 0.00 -0.38 -1.14 0.00 0.00 176.83 175.18 2jpn n ILE 17 N -3.64 0.00 0.16 3.27 -0.00 -1.24 -4.70 119.36 113.21 2jpn n ILE 17 Ca -0.02 -0.28 0.04 0.00 -0.00 0.00 0.00 62.75 62.50 2jpn n ILE 17 Cb 0.16 1.23 0.16 0.00 -0.00 0.00 0.00 39.64 41.18 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 0.00 0.00 4.38 3.58 -1.61 -3.36 116.42 119.41 2jpn h ASP 18 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jpn h ASP 18 Cb 0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.17 2jpn h ASP 18 CO 0.00 0.44 -0.27 -0.62 -2.88 0.00 0.00 179.24 175.91 2jpn n GLU 19 N -3.32 0.00 -0.06 0.28 1.02 -1.26 -4.93 120.64 112.36 2jpn n GLU 19 Ca 0.01 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.07 2jpn n GLU 19 Cb 0.64 -0.33 -0.01 0.00 -0.02 0.00 0.00 31.44 31.72 2jpn n GLU 19 CO 0.00 0.00 0.00 0.74 1.18 0.00 0.00 177.13 179.05 2jpn h PHE 20 N 0.00 0.10 -0.74 -0.32 -1.00 -1.84 -2.02 116.94 111.11 2jpn h PHE 20 Ca 0.00 0.01 0.04 0.00 2.81 0.00 0.00 57.97 60.84 2jpn h PHE 20 Cb 0.27 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.78 2jpn h PHE 20 CO 0.00 0.03 0.49 0.52 -1.61 0.00 0.00 178.31 177.74 2jpn h MET 21 N 0.16 0.84 -0.16 1.51 2.86 -1.85 0.49 114.93 118.78 2jpn h MET 21 Ca 0.12 -0.05 -0.21 0.00 -2.06 0.00 0.00 59.70 57.50 2jpn h MET 21 Cb 0.11 -0.19 0.01 0.00 0.06 0.00 0.00 31.60 31.59 2jpn h MET 21 CO -0.15 0.56 -0.73 0.78 1.06 0.00 0.00 176.91 178.43 2jpn h GLY 22 N 0.87 0.81 0.98 8.32 0.00 -1.75 -1.44 103.07 110.85 2jpn h GLY 22 Ca 0.30 -1.10 -0.03 0.00 0.00 0.00 0.00 47.33 46.50 2jpn h GLY 22 CO -0.09 0.98 0.23 0.07 0.00 0.00 0.00 176.54 177.73 2jpn h LYS 23 N 0.51 0.82 0.19 4.80 2.10 0.55 0.12 116.57 125.66 2jpn h LYS 23 Ca -0.04 -0.15 -0.01 0.00 -2.00 0.00 0.00 60.65 58.46 2jpn h LYS 23 Cb 1.34 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 32.54 2jpn h LYS 23 CO 0.15 0.71 -0.09 -0.84 -2.00 0.00 0.00 179.45 177.38 2jpn h ILE 24 N 0.76 0.82 0.00 0.07 3.07 -0.75 -2.01 117.51 119.47 2jpn h ILE 24 Ca 0.19 -1.02 -0.02 0.00 1.55 0.00 0.00 64.86 65.55 2jpn h ILE 24 Cb 0.19 1.35 -0.00 0.00 -0.27 0.00 0.00 36.82 38.08 2jpn h ILE 24 CO -0.02 0.20 -0.11 0.00 -1.05 0.00 0.00 178.15 177.18 2jpn h ALA 25 N -0.27 1.02 -0.34 0.16 0.00 -1.23 -2.22 119.26 116.37 2jpn h ALA 25 Ca -0.03 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2jpn h ALA 25 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2jpn h ALA 25 CO 0.04 0.13 0.00 0.45 0.00 0.00 0.00 179.25 179.88 2jpn n SER 26 N -3.24 3.21 0.00 0.00 2.88 0.40 -4.76 113.62 112.11 2jpn n SER 26 Ca 0.00 -2.26 0.14 0.00 -1.33 0.00 0.00 58.87 55.43 2jpn n SER 26 Cb 0.37 -0.32 0.59 0.00 -0.75 0.00 0.00 64.21 64.11 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 -4.45 0.00 -3.76 0.00 6.02 -1.26 -4.90 117.38 109.03 2jpn n GLN 28 Ca 0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.94 2jpn n GLN 28 Cb 0.41 -2.83 -0.11 0.00 1.02 0.00 0.00 30.24 28.72 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 -2.73 -0.01 0.22 5.09 -4.23 -1.26 -5.04 115.64 107.69 2jpn s THR 29 Ca 0.00 0.03 0.01 0.00 -1.18 0.00 0.00 61.69 60.55 2jpn s THR 29 Cb 0.00 -0.42 -0.04 0.00 1.34 0.00 0.00 72.50 73.38 2jpn s THR 29 CO 0.00 0.01 1.54 0.25 -0.54 0.00 0.00 174.62 175.88 2jpn h LEU 30 N 6.03 0.44 -1.45 4.79 5.85 -1.86 -1.54 115.31 127.57 2jpn h LEU 30 Ca -0.29 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.21 2jpn h LEU 30 Cb 1.18 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 2jpn h LEU 30 CO 0.33 0.91 0.39 -0.08 -0.34 0.00 0.00 178.44 179.65 2jpn h GLU 31 N 0.30 0.72 -0.16 1.25 4.81 -1.95 0.24 114.58 119.79 2jpn h GLU 31 Ca 0.00 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.01 2jpn h GLU 31 Cb 1.08 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 30.31 2jpn h GLU 31 CO 0.10 0.48 -0.59 0.78 -0.73 0.00 0.00 179.01 179.04 2jpn h GLY 32 N 0.74 0.75 0.89 1.92 0.00 -1.87 -2.62 103.07 102.88 2jpn h GLY 32 Ca 0.22 -1.01 0.03 0.00 0.00 0.00 0.00 47.33 46.58 2jpn h GLY 32 CO -0.05 0.90 0.58 -2.00 0.00 0.00 0.00 176.54 175.96 2jpn h LEU 33 N 0.37 0.96 -1.18 3.11 5.85 -0.15 0.31 115.31 124.58 2jpn h LEU 33 Ca -0.03 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.61 2jpn h LEU 33 Cb 1.22 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 2jpn h LEU 33 CO 0.12 0.67 -0.18 -0.33 -0.34 0.00 0.00 178.44 178.38 2jpn h GLU 34 N 1.13 0.34 -0.11 1.25 4.39 -0.71 0.44 114.58 121.31 2jpn h GLU 34 Ca 0.35 -0.10 -0.16 0.00 0.34 0.00 0.00 59.36 59.79 2jpn h GLU 34 Cb -0.01 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2jpn h GLU 34 CO -0.11 0.52 -0.55 0.93 -1.16 0.00 0.00 179.01 178.64 2jpn h GLU 35 N 0.31 0.56 -0.66 2.33 4.39 -0.79 -0.94 114.58 119.79 2jpn h GLU 35 Ca 0.06 -0.46 -0.02 0.00 0.34 0.00 0.00 59.36 59.28 2jpn h GLU 35 Cb 0.51 0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.23 2jpn h GLU 35 CO 0.03 1.09 0.35 -0.07 -1.16 0.00 0.00 179.01 179.25 2jpn h LEU 36 N 0.18 0.83 -0.45 1.33 4.07 -0.40 0.30 115.31 121.16 2jpn h LEU 36 Ca -0.04 -0.07 -0.03 0.00 0.08 0.00 0.00 57.88 57.82 2jpn h LEU 36 Cb 1.19 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.70 2jpn h LEU 36 CO 0.11 0.68 0.18 -0.08 -1.08 0.00 0.00 178.44 178.25 2jpn h GLU 37 N 0.93 0.68 -0.17 1.13 4.22 -0.02 0.25 114.58 121.60 2jpn h GLU 37 Ca 0.23 -0.12 -0.01 0.00 0.08 0.00 0.00 59.36 59.54 2jpn h GLU 37 Cb 0.05 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2jpn h GLU 37 CO -0.04 0.62 0.06 0.00 -2.18 0.00 0.00 179.01 177.48 2jpn h ALA 38 N 1.02 0.22 -0.16 2.92 0.00 -0.90 -1.95 119.26 120.40 2jpn h ALA 38 Ca 0.15 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2jpn h ALA 38 Cb 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2jpn h ALA 38 CO -0.01 -0.19 -0.06 -0.92 0.00 0.00 0.00 179.25 178.07 2jpn h TYR 39 N 0.11 0.25 0.61 0.00 5.03 0.07 0.17 116.97 123.20 2jpn h TYR 39 Ca 0.05 -0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.32 2jpn h TYR 39 Cb 0.19 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.40 2jpn h TYR 39 CO -0.01 0.31 -0.32 -0.92 -1.32 0.00 0.00 178.16 175.90 2jpn h TYR 40 N 0.24 -0.84 -0.68 -3.82 3.20 -0.49 -0.22 116.97 114.37 2jpn h TYR 40 Ca 0.05 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.91 2jpn h TYR 40 Cb 0.27 0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 2jpn h TYR 40 CO 0.00 -0.51 0.42 0.87 -1.64 0.00 0.00 178.16 177.31 2jpn h LYS 41 N -0.86 0.91 -0.04 1.82 1.79 -0.32 -0.08 116.57 119.78 2jpn h LYS 41 Ca -0.08 -0.07 -0.01 0.00 -2.18 0.00 0.00 60.65 58.31 2jpn h LYS 41 Cb 0.67 -0.20 -0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2jpn h LYS 41 CO 0.12 0.62 -0.01 0.87 -1.08 0.00 0.00 179.45 179.97 2jpn h LYS 42 N 0.93 0.08 -0.25 3.15 1.79 -0.72 -3.21 116.57 118.32 2jpn h LYS 42 Ca 0.25 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.56 2jpn h LYS 42 Cb -0.06 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.58 2jpn h LYS 42 CO -0.05 0.41 -0.33 -0.09 -1.08 0.00 0.00 179.45 178.31 2jpn h ARG 43 N -0.27 0.67 0.00 3.15 2.43 -0.63 -3.08 114.38 116.66 2jpn h ARG 43 Ca 0.01 -0.39 -0.08 0.00 -0.81 0.00 0.00 59.98 58.72 2jpn h ARG 43 Cb 0.38 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2jpn h ARG 43 CO 0.00 1.00 -0.36 -0.39 -1.51 0.00 0.00 179.97 178.71 2jpn h VAL 44 N 0.40 1.24 -0.97 0.20 -1.51 -1.12 0.25 116.25 114.72 2jpn h VAL 44 Ca 0.03 -1.26 0.02 0.00 -1.23 0.00 0.00 66.70 64.26 2jpn h VAL 44 Cb 0.91 1.68 -0.05 0.00 -2.13 0.00 0.00 31.29 31.71 2jpn h VAL 44 CO 0.08 0.36 0.64 0.50 -1.23 0.00 0.00 177.57 177.92 2jpn h LYS 45 N 0.00 1.24 0.00 5.19 3.64 -1.67 -0.92 116.57 124.06 2jpn h LYS 45 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2jpn h LYS 45 Cb 0.65 -0.28 0.00 0.00 -0.41 0.00 0.00 32.23 32.19 2jpn h LYS 45 CO 0.05 0.82 0.00 -1.91 -2.27 0.00 0.00 179.45 176.14 2jpn n GLU 46 N -4.41 0.22 0.00 1.90 2.13 0.82 -4.62 120.64 116.68 2jpn n GLU 46 Ca 0.12 0.12 0.00 0.00 0.66 0.00 0.00 57.16 58.06 2jpn n GLU 46 Cb 0.05 -1.50 0.00 0.00 0.27 0.00 0.00 31.44 30.26 2jpn n GLU 46 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2jpn n THR 47 N -1.33 0.00 0.00 6.31 5.66 -0.89 -5.07 114.28 118.96 2jpn n THR 47 Ca 0.08 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.08 2jpn n THR 47 Cb 0.17 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 2jpn n THR 47 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 2jpn n GLU 48 N 0.00 0.56 -1.23 1.09 0.28 -0.37 -5.04 120.64 115.94 2jpn n GLU 48 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 2jpn n GLU 48 Cb 0.00 -0.12 0.00 0.00 1.43 0.00 0.00 31.44 32.75 2jpn n GLU 48 CO 0.00 0.00 0.00 1.47 -0.16 0.00 0.00 177.13 178.44 2jpn n LEU 49 N -0.31 0.00 -4.56 -1.84 -0.00 -1.21 -4.75 117.00 104.33 2jpn n LEU 49 Ca 0.00 0.82 -0.31 0.00 -0.00 0.00 0.00 56.01 56.51 2jpn n LEU 49 Cb 0.00 -1.23 0.16 0.00 -0.00 0.00 0.00 43.42 42.36 2jpn n LEU 49 CO 0.00 -0.16 0.39 2.29 -0.00 0.00 0.00 177.39 179.91 2jpn n LYS 50 N 0.77 -0.64 -0.05 1.47 0.00 -1.26 -4.95 118.16 113.49 2jpn n LYS 50 Ca 0.00 -0.13 0.02 0.00 -0.00 0.00 0.00 58.31 58.20 2jpn n LYS 50 Cb 0.00 -2.18 0.34 0.00 -0.00 0.00 0.00 35.03 33.19 2jpn n LYS 50 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.40 177.78 2jpn h ASP 51 N -1.89 0.58 -0.78 -5.58 2.03 -2.01 -3.20 116.42 105.58 2jpn h ASP 51 Ca -0.45 -0.04 0.02 0.00 -0.73 0.00 0.00 57.03 55.83 2jpn h ASP 51 Cb 1.28 -0.15 -0.04 0.00 -0.83 0.00 0.00 39.33 39.59 2jpn h ASP 51 CO 0.40 0.47 0.51 0.74 -1.03 0.00 0.00 179.24 180.33 2jpn h THR 52 N 0.66 1.17 0.10 1.15 2.02 -1.97 -2.10 112.91 113.94 2jpn h THR 52 Ca 0.17 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 2jpn h THR 52 Cb 0.03 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.50 2jpn h THR 52 CO -0.03 0.19 -0.05 -0.78 0.37 0.00 0.00 175.52 175.22 2jpn h ASP 53 N 1.02 -0.11 -0.38 4.18 1.82 -1.84 -3.21 116.42 117.90 2jpn h ASP 53 Ca 0.30 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.90 2jpn h ASP 53 Cb -0.07 0.03 -0.02 0.00 0.68 0.00 0.00 39.33 39.95 2jpn h ASP 53 CO -0.08 -0.04 0.24 -0.78 -1.61 0.00 0.00 179.24 176.97 2jpn h ASP 54 N -0.18 0.44 -0.18 2.28 3.58 -1.51 -0.16 116.42 120.70 2jpn h ASP 54 Ca -0.01 -0.03 -0.05 0.00 0.42 0.00 0.00 57.03 57.35 2jpn h ASP 54 Cb 0.14 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 2jpn h ASP 54 CO 0.02 0.34 -0.10 0.40 -2.88 0.00 0.00 179.24 177.03 2jpn h ILE 55 N 0.51 1.32 -0.01 2.25 5.03 -1.64 0.17 117.51 125.14 2jpn h ILE 55 Ca 0.14 -1.17 -0.00 0.00 -0.12 0.00 0.00 64.86 63.71 2jpn h ILE 55 Cb -0.03 1.71 -0.00 0.00 -3.03 0.00 0.00 36.82 35.47 2jpn h ILE 55 CO -0.03 0.35 0.00 -1.28 -0.68 0.00 0.00 178.15 176.51 2jpn h SER 56 N 0.06 0.01 -0.21 1.72 0.87 -1.38 -0.65 113.55 113.96 2jpn h SER 56 Ca 0.04 -0.22 -0.05 0.00 -1.23 0.00 0.00 61.79 60.33 2jpn h SER 56 Cb 0.59 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 2jpn h SER 56 CO 0.03 0.23 -0.06 -0.37 -0.53 0.00 0.00 176.83 176.13 2jpn h VAL 57 N -0.21 1.29 -0.50 2.23 -1.51 -1.15 -2.36 116.25 114.03 2jpn h VAL 57 Ca 0.00 -1.07 -0.07 0.00 -1.23 0.00 0.00 66.70 64.33 2jpn h VAL 57 Cb 0.22 1.56 -0.02 0.00 -2.13 0.00 0.00 31.29 30.92 2jpn h VAL 57 CO 0.00 0.33 0.02 0.03 -1.23 0.00 0.00 177.57 176.72 2jpn h ARG 58 N 0.13 0.83 -0.12 5.19 -0.00 -0.77 0.48 114.38 120.13 2jpn h ARG 58 Ca 0.05 -0.22 -0.10 0.00 -0.50 0.00 0.00 59.98 59.21 2jpn h ARG 58 Cb 0.52 -0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.38 2jpn h ARG 58 CO 0.02 0.82 -0.39 0.22 0.00 0.00 0.00 179.97 180.64 2jpn h ASP 59 N 0.78 0.27 -0.01 7.04 3.58 -1.11 0.32 116.42 127.28 2jpn h ASP 59 Ca 0.15 -0.11 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 2jpn h ASP 59 Cb 0.44 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2jpn h ASP 59 CO 0.02 0.64 -0.01 0.00 -2.88 0.00 0.00 179.24 177.00 2jpn h ALA 60 N 1.38 0.01 0.08 -0.78 0.00 -0.83 -1.12 119.26 118.00 2jpn h ALA 60 Ca 0.02 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 2jpn h ALA 60 Cb 0.79 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2jpn h ALA 60 CO 0.06 -0.19 -0.04 1.25 0.00 0.00 0.00 179.25 180.33 2jpn h LEU 61 N -0.53 -0.09 -1.83 0.00 6.46 -0.02 0.56 115.31 119.86 2jpn h LEU 61 Ca 0.00 -0.44 -0.01 0.00 -0.12 0.00 0.00 57.88 57.30 2jpn h LEU 61 Cb 0.58 0.02 -0.00 0.00 -0.73 0.00 0.00 40.66 40.53 2jpn h LEU 61 CO 0.00 0.43 -0.03 0.00 -0.62 0.00 0.00 178.44 178.22 2jpn h ALA 62 N 0.20 1.86 -0.02 1.25 0.00 -0.54 0.13 119.26 122.14 2jpn h ALA 62 Ca -0.01 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2jpn h ALA 62 Cb 0.53 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 2jpn h ALA 62 CO 0.02 0.11 -0.49 0.78 0.00 0.00 0.00 179.25 179.67 2jpn h GLY 63 N 0.25 -0.97 1.59 0.00 0.00 -0.67 -2.82 103.07 100.45 2jpn h GLY 63 Ca 0.02 0.60 -0.13 0.00 0.00 0.00 0.00 47.33 47.82 2jpn h GLY 63 CO 0.00 -0.24 -0.45 1.70 0.00 0.00 0.00 176.54 177.55 2jpn h LYS 64 N -0.63 0.44 -0.45 4.80 1.63 0.30 -3.38 116.57 119.29 2jpn h LYS 64 Ca 0.03 -0.24 0.06 0.00 -0.85 0.00 0.00 60.65 59.65 2jpn h LYS 64 Cb 0.70 0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 32.29 2jpn h LYS 64 CO -0.35 0.81 0.17 -0.09 -3.45 0.00 0.00 179.45 176.53 2jpn h ARG 65 N 0.36 0.33 -0.63 1.90 2.43 -0.47 0.23 114.38 118.53 2jpn h ARG 65 Ca 0.02 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2jpn h ARG 65 Cb 0.94 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 2jpn h ARG 65 CO 0.08 0.22 0.38 0.00 -1.51 0.00 0.00 179.97 179.14 2jpn h ALA 66 N 1.29 1.50 -0.13 2.80 0.00 -1.72 0.84 119.26 123.83 2jpn h ALA 66 Ca 0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2jpn h ALA 66 Cb 0.20 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jpn h ALA 66 CO -0.21 0.44 -0.03 0.93 0.00 0.00 0.00 179.25 180.39 2jpn h GLU 67 N 0.86 0.25 -0.13 0.00 4.39 -1.01 -1.27 114.58 117.67 2jpn h GLU 67 Ca 0.23 -0.09 -0.09 0.00 0.34 0.00 0.00 59.36 59.74 2jpn h GLU 67 Cb -0.05 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.57 2jpn h GLU 67 CO -0.04 0.53 -0.32 -0.07 -1.16 0.00 0.00 179.01 177.95 2jpn h LEU 68 N -0.05 0.25 -0.40 1.33 3.38 -0.15 0.14 115.31 119.81 2jpn h LEU 68 Ca 0.03 -0.09 -0.18 0.00 0.09 0.00 0.00 57.88 57.74 2jpn h LEU 68 Cb 0.44 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 2jpn h LEU 68 CO 0.01 0.57 -0.80 -0.33 0.09 0.00 0.00 178.44 177.98 2jpn h GLU 69 N 0.22 0.14 0.00 1.13 5.08 -0.87 -1.09 114.58 119.19 2jpn h GLU 69 Ca 0.03 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2jpn h GLU 69 Cb 0.68 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.97 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 -3.68 0.06 -1.32 1.42 8.00 -0.48 -3.50 116.55 117.04 2jpn n ASP 70 Ca -0.02 0.51 -0.09 0.00 0.71 0.00 0.00 54.79 55.89 2jpn n ASP 70 Cb 0.75 -0.53 0.14 0.00 -0.02 0.00 0.00 41.12 41.47 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 -1.56 3.30 -0.34 -2.24 2.88 0.02 -4.92 113.62 110.76 2jpn n SER 71 Ca 0.05 -3.82 0.36 0.00 -1.33 0.00 0.00 58.87 54.13 2jpn n SER 71 Cb 0.26 -0.54 0.75 0.00 -0.75 0.00 0.00 64.21 63.94 2jpn n SER 71 CO 0.00 0.00 0.00 -2.24 -1.23 0.00 0.00 175.04 171.57 2jpn h ASP 72 N 1.41 0.00 -4.83 -3.46 2.03 -1.36 -3.44 116.42 106.78 2jpn h ASP 72 Ca 0.22 0.00 -0.15 0.00 -0.73 0.00 0.00 57.03 56.38 2jpn h ASP 72 Cb 1.37 0.00 -0.03 0.00 -0.83 0.00 0.00 39.33 39.83 2jpn h ASP 72 CO 0.46 0.00 -0.20 -0.67 -1.03 0.00 0.00 179.24 177.80 2jpn n ASP 73 N -4.14 -2.17 -4.72 4.15 2.03 -1.24 -4.86 116.55 105.59 2jpn n ASP 73 Ca 0.26 0.22 -0.42 0.00 0.52 0.00 0.00 54.79 55.37 2jpn n ASP 73 Cb 1.29 -1.92 -0.03 0.00 -0.72 0.00 0.00 41.12 39.74 2jpn n ASP 73 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2jpn s GLU 74 N -5.24 4.14 0.00 -0.67 2.02 -1.23 -3.59 118.70 114.13 2jpn s GLU 74 Ca 0.09 2.56 0.00 0.00 0.02 0.00 0.00 54.97 57.64 2jpn s GLU 74 Cb -0.05 -3.12 0.00 0.00 0.10 0.00 0.00 34.13 31.06 2jpn s GLU 74 CO 0.11 -0.73 0.00 0.28 0.02 0.00 0.00 175.26 174.94 2jpn n VAL 75 N 4.03 0.00 0.00 2.63 0.31 -1.26 -1.35 118.33 122.69 2jpn n VAL 75 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 2jpn n VAL 75 Cb 0.36 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.29 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 0.94 0.00 5.55 0.28 -1.24 -5.02 120.64 121.15 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 -0.30 0.00 0.00 1.43 0.00 0.00 31.44 32.57 2jpn n GLU 76 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2jpn n GLU 77 N -0.37 0.00 -3.63 3.44 4.07 -0.88 -5.03 120.64 118.23 2jpn n GLU 77 Ca 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.05 2jpn n GLU 77 Cb 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.32 2jpn n GLU 77 CO 0.00 0.00 0.00 -1.54 -0.06 0.00 0.00 177.13 175.53 2jpn s SER 78 N -1.93 -0.20 0.00 4.31 1.04 -0.45 -3.56 113.70 112.91 2jpn s SER 78 Ca 0.00 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.75 2jpn s SER 78 Cb 0.00 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2jpn s SER 78 CO 0.00 -0.11 0.00 0.33 0.98 0.00 0.00 173.24 174.44