#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgn s PRO 2 N 0.00 3.72 -0.00 1.61 0.04 -1.26 -5.07 135.00 134.04 1jgn s PRO 2 Ca 0.00 1.21 0.05 0.00 0.04 0.00 0.00 61.00 62.30 1jgn s PRO 2 Cb 0.00 -2.09 0.16 0.00 0.04 0.00 0.00 34.50 32.61 1jgn s PRO 2 CO 0.00 -0.48 1.11 1.28 0.04 0.00 0.00 177.00 178.95 1jgn n LEU 3 N -1.39 1.02 0.12 -3.56 4.32 -1.26 -3.71 117.00 112.54 1jgn n LEU 3 Ca 0.08 -0.51 0.13 0.00 -0.02 0.00 0.00 56.01 55.69 1jgn n LEU 3 Cb 0.53 -0.15 0.39 0.00 -1.62 0.00 0.00 43.42 42.58 1jgn n LEU 3 CO 0.43 0.24 0.88 1.23 -1.22 0.00 0.00 177.39 178.95 1jgn h GLY 4 N 5.56 0.00 0.00 -0.72 0.00 -2.05 -3.35 103.07 102.52 1jgn h GLY 4 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.02 1jgn h GLY 4 CO 0.01 0.00 -1.78 1.44 0.00 0.00 0.00 176.54 176.21 1jgn n SER 5 N -2.35 1.91 -4.56 0.19 7.64 -1.24 -4.81 113.62 110.40 1jgn n SER 5 Ca 0.05 0.39 -0.18 0.00 1.01 0.00 0.00 58.87 60.14 1jgn n SER 5 Cb 0.42 -0.88 -0.06 0.00 -1.01 0.00 0.00 64.21 62.69 1jgn n SER 5 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1jgn s PRO 6 N -2.46 1.73 0.00 1.43 0.02 -1.26 -4.79 135.00 129.67 1jgn s PRO 6 Ca -0.32 0.60 0.00 0.00 0.02 0.00 0.00 61.00 61.29 1jgn s PRO 6 Cb 0.10 -4.76 0.00 0.00 0.02 0.00 0.00 34.50 29.85 1jgn s PRO 6 CO 0.51 -4.20 0.00 1.28 -0.33 0.00 0.00 177.00 174.26 1jgn n LEU 7 N 17.97 0.00 -0.00 -5.54 4.77 -1.26 -4.73 117.00 128.20 1jgn n LEU 7 Ca 0.45 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.34 1jgn n LEU 7 Cb 0.45 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 1jgn n LEU 7 CO 0.57 0.00 -0.40 0.00 -1.33 0.00 0.00 177.39 176.24 1jgn h THR 8 N 0.00 1.02 -0.69 -5.08 1.03 -1.96 -3.13 112.91 104.10 1jgn h THR 8 Ca 0.00 -2.84 0.04 0.00 -0.01 0.00 0.00 66.41 63.60 1jgn h THR 8 Cb 0.00 2.51 -0.04 0.00 -1.07 0.00 0.00 68.15 69.55 1jgn h THR 8 CO 0.00 0.59 0.46 0.00 -0.01 0.00 0.00 175.52 176.56 1jgn h ALA 9 N 0.97 1.62 -0.19 0.00 0.00 -1.91 0.21 119.26 119.96 1jgn h ALA 9 Ca -0.23 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 1jgn h ALA 9 Cb 1.97 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 1jgn h ALA 9 CO 0.09 0.30 -0.55 1.03 0.00 0.00 0.00 179.25 180.12 1jgn h SER 10 N 0.82 0.62 -0.59 0.00 0.87 -1.85 -2.99 113.55 110.44 1jgn h SER 10 Ca 0.28 -0.33 -0.06 0.00 -1.23 0.00 0.00 61.79 60.44 1jgn h SER 10 Cb 0.09 -0.18 -0.03 0.00 -0.44 0.00 0.00 62.40 61.85 1jgn h SER 10 CO -0.08 1.04 0.13 0.24 -0.53 0.00 0.00 176.83 177.63 1jgn h MET 11 N 0.43 0.98 -0.42 2.24 2.86 -0.93 -1.75 114.93 118.34 1jgn h MET 11 Ca 0.01 -0.23 0.08 0.00 -2.06 0.00 0.00 59.70 57.50 1jgn h MET 11 Cb 1.09 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.55 1jgn h MET 11 CO 0.10 0.89 -0.05 -0.07 1.06 0.00 0.00 176.91 178.84 1jgn h LEU 12 N 0.94 -0.28 -1.18 1.22 3.38 -0.54 0.55 115.31 119.40 1jgn h LEU 12 Ca 0.20 0.11 -0.08 0.00 0.09 0.00 0.00 57.88 58.20 1jgn h LEU 12 Cb 0.37 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 1jgn h LEU 12 CO 0.00 -0.10 -0.25 0.00 0.09 0.00 0.00 178.44 178.19 1jgn h ALA 13 N 1.39 1.32 -0.82 1.53 0.00 -1.47 -2.86 119.26 118.34 1jgn h ALA 13 Ca 0.20 -0.30 -0.37 0.00 0.00 0.00 0.00 54.91 54.45 1jgn h ALA 13 Cb 0.30 -0.09 -0.22 0.00 0.00 0.00 0.00 17.79 17.79 1jgn h ALA 13 CO -0.39 0.47 0.43 0.45 0.00 0.00 0.00 179.25 180.21 1jgn n SER 14 N -4.16 4.00 -3.68 0.00 2.88 0.14 -4.86 113.62 107.93 1jgn n SER 14 Ca -0.01 -3.48 -0.24 0.00 -1.33 0.00 0.00 58.87 53.81 1jgn n SER 14 Cb 0.36 -0.78 -0.17 0.00 -0.75 0.00 0.00 64.21 62.87 1jgn n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jgn s ALA 15 N -3.18 0.52 1.12 -1.46 0.00 0.17 -4.93 121.76 113.99 1jgn s ALA 15 Ca 0.55 -0.18 -0.15 0.00 0.00 0.00 0.00 51.96 52.18 1jgn s ALA 15 Cb 0.46 -0.87 0.18 0.00 0.00 0.00 0.00 23.12 22.89 1jgn s ALA 15 CO 0.11 -0.81 0.52 -2.30 0.00 0.00 0.00 175.76 173.28 1jgn n PRO 16 N 5.22 -1.81 -0.34 0.00 -0.02 -1.26 -4.75 135.00 132.04 1jgn n PRO 16 Ca -0.06 -0.50 0.07 0.00 -2.02 0.00 0.00 63.50 60.99 1jgn n PRO 16 Cb 0.49 -1.95 0.24 0.00 -0.02 0.00 0.00 33.50 32.26 1jgn n PRO 16 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1jgn h PRO 17 N -2.29 0.86 0.00 0.52 0.11 -2.01 0.12 132.00 129.32 1jgn h PRO 17 Ca -0.56 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.50 1jgn h PRO 17 Cb 1.34 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jgn h PRO 17 CO 0.43 0.57 0.00 1.04 -0.21 0.00 0.00 178.00 179.83 1jgn n GLN 18 N -4.69 0.71 -0.54 1.05 6.02 -1.26 -2.82 117.38 115.85 1jgn n GLN 18 Ca 0.18 0.00 0.09 0.00 -0.01 0.00 0.00 57.00 57.27 1jgn n GLN 18 Cb 0.38 -1.25 0.33 0.00 1.02 0.00 0.00 30.24 30.72 1jgn n GLN 18 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1jgn n GLU 19 N -0.75 3.50 0.17 -1.09 4.07 0.43 -4.62 120.64 122.34 1jgn n GLU 19 Ca 0.09 -2.79 -0.15 0.00 -0.06 0.00 0.00 57.16 54.25 1jgn n GLU 19 Cb 0.04 -1.80 -0.07 0.00 -0.06 0.00 0.00 31.44 29.55 1jgn n GLU 19 CO 0.00 0.00 0.00 -0.56 -0.06 0.00 0.00 177.13 176.51 1jgn h GLN 20 N 3.80 -0.66 -0.02 5.31 -0.00 -1.67 -1.23 115.11 120.65 1jgn h GLN 20 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 1jgn h GLN 20 Cb 1.33 0.15 -0.00 0.00 -0.00 0.00 0.00 27.48 28.96 1jgn h GLN 20 CO 0.18 -0.44 0.21 1.57 -0.00 0.00 0.00 178.83 180.35 1jgn h LYS 21 N -0.69 0.00 0.00 0.06 5.09 -1.78 -1.40 116.57 117.85 1jgn h LYS 21 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1jgn h LYS 21 Cb 0.67 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.00 1jgn h LYS 21 CO -0.15 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 178.15 1jgn n GLN 22 N -3.02 0.00 0.00 0.07 7.27 -0.48 -4.26 117.38 116.96 1jgn n GLN 22 Ca -0.02 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.10 1jgn n GLN 22 Cb 0.27 -0.72 0.00 0.00 2.41 0.00 0.00 30.24 32.19 1jgn n GLN 22 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1jgn n MET 23 N -0.64 0.00 0.00 3.69 0.00 -1.13 -4.22 117.12 114.82 1jgn n MET 23 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.71 1jgn n MET 23 Cb 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 33.22 33.12 1jgn n MET 23 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1jgn n LEU 24 N 0.00 0.00 0.00 3.17 -0.00 -1.23 -4.79 117.00 114.15 1jgn n LEU 24 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1jgn n LEU 24 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1jgn n LEU 24 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.00 1jgn n GLY 25 N -0.71 3.34 0.04 1.47 0.00 -0.53 -1.22 105.19 107.58 1jgn n GLY 25 Ca 0.01 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 1jgn n GLY 25 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jgn h GLU 26 N 0.00 -0.06 0.00 1.61 3.07 -1.88 -3.01 114.58 114.31 1jgn h GLU 26 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1jgn h GLU 26 Cb 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 28.75 27.92 1jgn h GLU 26 CO 0.00 -0.04 0.00 -2.13 -1.40 0.00 0.00 179.01 175.44 1jgn n ARG 27 N -2.72 0.00 0.00 2.33 0.00 -0.74 -4.92 116.66 110.60 1jgn n ARG 27 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1jgn n ARG 27 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.49 1jgn n ARG 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1jgn n LEU 28 N 0.00 0.00 -0.27 6.15 4.32 -0.36 -3.49 117.00 123.35 1jgn n LEU 28 Ca 0.00 0.81 0.08 0.00 -0.02 0.00 0.00 56.01 56.87 1jgn n LEU 28 Cb 0.46 -0.31 0.16 0.00 -1.62 0.00 0.00 43.42 42.12 1jgn n LEU 28 CO 0.00 -0.31 0.55 0.33 -1.22 0.00 0.00 177.39 176.74 1jgn n PHE 29 N -1.44 0.37 -0.30 -1.77 -0.00 -1.21 -0.34 117.46 112.77 1jgn n PHE 29 Ca 0.00 0.93 -0.03 0.00 -0.00 0.00 0.00 57.45 58.34 1jgn n PHE 29 Cb 0.00 -1.00 0.08 0.00 -0.00 0.00 0.00 39.48 38.56 1jgn n PHE 29 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.76 175.41 1jgn h PRO 30 N 0.00 1.05 -0.10 -7.13 0.11 -1.84 1.04 132.00 125.14 1jgn h PRO 30 Ca 0.41 -0.06 -0.05 0.00 0.11 0.00 0.00 66.00 66.41 1jgn h PRO 30 Cb 0.74 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1jgn h PRO 30 CO -0.76 0.69 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.54 1jgn h LEU 31 N 1.08 0.27 -0.37 2.35 3.38 -0.72 -2.59 115.31 118.71 1jgn h LEU 31 Ca 0.31 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1jgn h LEU 31 Cb -0.09 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1jgn h LEU 31 CO -0.08 0.73 0.00 -0.38 0.09 0.00 0.00 178.44 178.80 1jgn n ILE 32 N -4.62 0.73 -0.28 1.22 5.41 -0.77 -2.50 119.36 118.55 1jgn n ILE 32 Ca -0.07 0.08 -0.05 0.00 1.00 0.00 0.00 62.75 63.71 1jgn n ILE 32 Cb 0.35 -0.94 0.06 0.00 -0.71 0.00 0.00 39.64 38.40 1jgn n ILE 32 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1jgn h GLN 33 N 0.00 1.06 0.00 0.38 5.75 0.15 1.38 115.11 123.84 1jgn h GLN 33 Ca 0.00 -0.11 -0.08 0.00 -0.15 0.00 0.00 58.65 58.31 1jgn h GLN 33 Cb 0.46 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 1jgn h GLN 33 CO 0.00 0.77 -0.36 0.00 -2.65 0.00 0.00 178.83 176.59 1jgn h ALA 34 N 1.23 1.28 -0.80 3.38 0.00 -1.45 -2.12 119.26 120.78 1jgn h ALA 34 Ca 0.27 -0.33 -0.35 0.00 0.00 0.00 0.00 54.91 54.50 1jgn h ALA 34 Cb 0.01 -0.06 -0.21 0.00 0.00 0.00 0.00 17.79 17.53 1jgn h ALA 34 CO -0.05 0.45 0.40 -1.33 0.00 0.00 0.00 179.25 178.73 1jgn n MET 35 N -3.93 2.80 0.14 0.00 2.81 0.29 -4.64 117.12 114.59 1jgn n MET 35 Ca -0.02 -3.06 0.03 0.00 -1.81 0.00 0.00 57.70 52.85 1jgn n MET 35 Cb 0.42 -2.14 0.43 0.00 -0.71 0.00 0.00 33.22 31.21 1jgn n MET 35 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1jgn h HIS 36 N 1.68 0.19 -1.15 2.03 -0.00 0.24 -3.16 115.15 114.99 1jgn h HIS 36 Ca 0.43 -0.02 0.37 0.00 -0.00 0.00 0.00 60.37 61.15 1jgn h HIS 36 Cb 2.49 -0.06 -0.09 0.00 -0.00 0.00 0.00 27.41 29.75 1jgn h HIS 36 CO 1.38 0.31 0.77 -2.30 -0.00 0.00 0.00 177.93 178.09 1jgn n PRO 37 N -4.31 -0.02 0.00 5.12 -0.02 -1.26 -2.19 135.00 132.33 1jgn n PRO 37 Ca -0.01 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1jgn n PRO 37 Cb 0.25 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1jgn n PRO 37 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1jgn n THR 38 N -3.95 0.00 -2.69 3.45 -1.04 -1.19 -5.00 114.28 103.86 1jgn n THR 38 Ca 0.31 0.04 -0.05 0.00 -2.04 0.00 0.00 64.05 62.31 1jgn n THR 38 Cb 1.26 -0.11 0.10 0.00 -1.82 0.00 0.00 70.33 69.75 1jgn n THR 38 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1jgn n LEU 39 N -0.10 -1.64 -0.33 -4.42 0.00 -0.93 -5.02 117.00 104.57 1jgn n LEU 39 Ca 0.00 -2.41 0.23 0.00 0.00 0.00 0.00 56.01 53.82 1jgn n LEU 39 Cb 0.00 0.89 0.45 0.00 0.00 0.00 0.00 43.42 44.77 1jgn n LEU 39 CO 0.00 1.74 1.06 0.00 0.00 0.00 0.00 177.39 180.19 1jgn h ALA 40 N 2.68 1.83 -0.26 1.96 0.00 -1.77 -1.14 119.26 122.57 1jgn h ALA 40 Ca -0.24 0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1jgn h ALA 40 Cb 1.17 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 19.13 1jgn h ALA 40 CO 0.02 -0.62 -0.27 0.78 0.00 0.00 0.00 179.25 179.17 1jgn h GLY 41 N 0.23 -0.21 1.30 0.00 0.00 -1.91 -1.59 103.07 100.89 1jgn h GLY 41 Ca 0.72 0.33 -0.28 0.00 0.00 0.00 0.00 47.33 48.09 1jgn h GLY 41 CO -0.66 -0.20 -1.18 1.70 0.00 0.00 0.00 176.54 176.19 1jgn h LYS 42 N -0.27 0.59 0.19 4.80 1.63 -1.67 -3.23 116.57 118.60 1jgn h LYS 42 Ca 0.14 -0.75 0.01 0.00 -0.85 0.00 0.00 60.65 59.20 1jgn h LYS 42 Cb 0.49 0.24 -0.04 0.00 -0.60 0.00 0.00 32.23 32.32 1jgn h LYS 42 CO -0.41 1.33 -0.39 0.82 -3.45 0.00 0.00 179.45 177.35 1jgn h ILE 43 N 0.28 0.21 -0.88 2.00 2.04 -1.13 -1.53 117.51 118.49 1jgn h ILE 43 Ca -0.16 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.87 1jgn h ILE 43 Cb 1.85 0.21 -0.11 0.00 -0.74 0.00 0.00 36.82 38.03 1jgn h ILE 43 CO 0.22 0.00 0.45 0.00 0.00 0.00 0.00 178.15 178.82 1jgn h THR 44 N -0.66 0.65 0.02 -0.27 1.03 -1.43 -1.99 112.91 110.26 1jgn h THR 44 Ca 0.01 -0.20 0.00 0.00 -0.01 0.00 0.00 66.41 66.22 1jgn h THR 44 Cb 0.66 0.03 -0.01 0.00 -1.07 0.00 0.00 68.15 67.76 1jgn h THR 44 CO -0.19 0.10 -0.11 1.23 -0.01 0.00 0.00 175.52 176.55 1jgn h GLY 45 N 0.57 -1.26 0.53 2.99 0.00 -1.31 0.75 103.07 105.34 1jgn h GLY 45 Ca 0.51 0.57 0.07 0.00 0.00 0.00 0.00 47.33 48.48 1jgn h GLY 45 CO -0.42 -0.44 0.19 0.00 0.00 0.00 0.00 176.54 175.88 1jgn h MET 46 N -0.15 0.37 -0.00 4.80 -0.00 -1.23 0.52 114.93 119.23 1jgn h MET 46 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 1jgn h MET 46 Cb 0.16 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 31.67 1jgn h MET 46 CO -0.07 0.24 0.00 1.28 -0.00 0.00 0.00 176.91 178.37 1jgn n LEU 47 N -4.99 0.03 0.02 -0.10 7.99 -0.77 -3.61 117.00 115.58 1jgn n LEU 47 Ca 0.06 -0.01 0.05 0.00 -0.01 0.00 0.00 56.01 56.09 1jgn n LEU 47 Cb 0.20 -0.00 0.24 0.00 -0.11 0.00 0.00 43.42 43.74 1jgn n LEU 47 CO 0.25 0.01 0.67 -0.11 -1.51 0.00 0.00 177.39 176.69 1jgn n LEU 48 N -0.65 0.10 -0.42 2.23 -0.00 0.26 -1.74 117.00 116.77 1jgn n LEU 48 Ca 0.08 0.53 0.00 0.00 -0.00 0.00 0.00 56.01 56.63 1jgn n LEU 48 Cb 0.04 -0.53 0.00 0.00 -0.00 0.00 0.00 43.42 42.93 1jgn n LEU 48 CO 0.06 -0.41 0.28 -0.62 -0.00 0.00 0.00 177.39 176.70 1jgn n GLU 49 N -1.62 0.96 -2.21 1.96 -0.58 -1.24 -4.83 120.64 113.09 1jgn n GLU 49 Ca 0.02 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.47 1jgn n GLU 49 Cb 0.11 -1.41 0.01 0.00 -0.57 0.00 0.00 31.44 29.58 1jgn n GLU 49 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1jgn s ILE 50 N -1.16 4.60 0.76 -3.67 2.07 -0.71 -5.06 121.20 118.04 1jgn s ILE 50 Ca 0.00 0.52 -0.11 0.00 -1.41 0.00 0.00 60.65 59.65 1jgn s ILE 50 Cb 0.00 -3.80 0.05 0.00 0.13 0.00 0.00 42.46 38.84 1jgn s ILE 50 CO 0.00 -0.94 1.08 -1.81 -1.91 0.00 0.00 174.94 171.37 1jgn s ASP 51 N -4.18 4.67 0.01 4.50 1.01 -1.26 -4.94 116.67 116.48 1jgn s ASP 51 Ca 0.52 1.75 0.12 0.00 0.71 0.00 0.00 52.55 55.65 1jgn s ASP 51 Cb -0.11 -2.49 -0.21 0.00 1.01 0.00 0.00 42.92 41.12 1jgn s ASP 51 CO 0.50 -1.92 0.83 0.78 0.21 0.00 0.00 175.17 175.57 1jgn h ASN 52 N -1.05 0.00 0.38 0.27 4.21 -1.97 -2.97 115.58 114.45 1jgn h ASN 52 Ca -0.44 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 56.91 1jgn h ASN 52 Cb 1.23 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.42 1jgn h ASN 52 CO 0.53 0.96 -0.66 0.28 -1.29 0.00 0.00 177.43 177.25 1jgn h SER 53 N 0.00 0.30 0.95 5.81 0.02 -2.01 -2.99 113.55 115.63 1jgn h SER 53 Ca -0.21 -0.18 -0.13 0.00 -0.84 0.00 0.00 61.79 60.43 1jgn h SER 53 Cb 1.92 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 64.35 1jgn h SER 53 CO 0.09 0.87 -0.64 -0.33 -1.14 0.00 0.00 176.83 175.68 1jgn h GLU 54 N 0.18 0.00 -0.14 3.45 5.08 -1.97 -3.13 114.58 118.06 1jgn h GLU 54 Ca -0.01 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1jgn h GLU 54 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 1jgn h GLU 54 CO 0.10 0.64 0.08 1.37 -1.00 0.00 0.00 179.01 180.20 1jgn h LEU 55 N 0.00 0.12 -1.20 1.33 8.10 -1.37 0.06 115.31 122.36 1jgn h LEU 55 Ca -0.01 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 1jgn h LEU 55 Cb 1.28 -0.02 -0.03 0.00 -0.44 0.00 0.00 40.66 41.45 1jgn h LEU 55 CO 0.08 0.09 0.34 0.25 -4.11 0.00 0.00 178.44 175.09 1jgn h LEU 56 N 0.16 0.80 -1.05 0.17 7.12 -1.58 -1.09 115.31 119.83 1jgn h LEU 56 Ca 0.05 -0.07 -0.06 0.00 0.13 0.00 0.00 57.88 57.94 1jgn h LEU 56 Cb -0.00 -0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 39.90 1jgn h LEU 56 CO -0.03 0.65 0.02 0.45 -0.13 0.00 0.00 178.44 179.40 1jgn h HIS 57 N 0.90 0.72 -0.51 1.25 3.86 -1.35 -1.93 115.15 118.10 1jgn h HIS 57 Ca 0.23 -0.08 -0.08 0.00 -1.16 0.00 0.00 60.37 59.28 1jgn h HIS 57 Cb 0.04 -0.20 -0.02 0.00 1.06 0.00 0.00 27.41 28.29 1jgn h HIS 57 CO 0.01 0.67 0.02 0.52 0.86 0.00 0.00 177.93 180.01 1jgn h MET 58 N 0.65 0.88 0.00 2.45 2.86 0.20 0.10 114.93 122.08 1jgn h MET 58 Ca 0.14 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1jgn h MET 58 Cb 0.38 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1jgn h MET 58 CO 0.01 0.91 0.00 -0.11 1.06 0.00 0.00 176.91 178.78 1jgn n LEU 59 N -4.33 0.67 -0.43 1.22 7.94 -0.64 -1.78 117.00 119.65 1jgn n LEU 59 Ca 0.01 0.67 0.08 0.00 -1.11 0.00 0.00 56.01 55.65 1jgn n LEU 59 Cb 0.31 -0.58 0.02 0.00 0.53 0.00 0.00 43.42 43.69 1jgn n LEU 59 CO 0.42 -0.57 0.33 -1.84 -1.11 0.00 0.00 177.39 174.62 1jgn n GLU 60 N -2.24 1.58 -3.81 1.96 0.28 -0.76 -4.77 120.64 112.88 1jgn n GLU 60 Ca 0.02 -0.98 -0.29 0.00 -0.16 0.00 0.00 57.16 55.76 1jgn n GLU 60 Cb 0.22 -1.26 -0.13 0.00 1.43 0.00 0.00 31.44 31.71 1jgn n GLU 60 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1jgn s SER 61 N -1.65 4.05 0.38 -1.84 0.01 0.29 -4.95 113.70 109.99 1jgn s SER 61 Ca 0.14 -3.29 0.05 0.00 1.31 0.00 0.00 55.95 54.16 1jgn s SER 61 Cb 0.12 -1.37 0.74 0.00 0.21 0.00 0.00 66.02 65.73 1jgn s SER 61 CO 0.32 -0.17 2.02 1.55 0.41 0.00 0.00 173.24 177.37 1jgn h PRO 62 N 5.99 0.66 0.09 12.44 0.13 -1.86 0.27 132.00 149.72 1jgn h PRO 62 Ca 0.07 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 64.99 1jgn h PRO 62 Cb 0.84 -0.15 0.02 0.00 0.13 0.00 0.00 31.00 31.85 1jgn h PRO 62 CO 0.62 0.46 -0.70 1.05 -0.23 0.00 0.00 178.00 179.20 1jgn h GLU 63 N 0.68 0.30 0.01 0.86 4.11 -1.92 -3.11 114.58 115.52 1jgn h GLU 63 Ca 0.18 -0.45 -0.00 0.00 0.07 0.00 0.00 59.36 59.16 1jgn h GLU 63 Cb -0.04 0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1jgn h GLU 63 CO -0.04 1.18 -0.01 0.77 0.07 0.00 0.00 179.01 180.99 1jgn h SER 64 N -0.35 -0.01 0.42 3.06 0.02 -1.90 -3.00 113.55 111.79 1jgn h SER 64 Ca -0.11 -0.68 -0.02 0.00 -0.84 0.00 0.00 61.79 60.14 1jgn h SER 64 Cb 1.50 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 64.05 1jgn h SER 64 CO 0.13 0.68 -0.25 0.25 -1.14 0.00 0.00 176.83 176.50 1jgn h LEU 65 N -0.73 -0.63 -1.61 5.07 7.12 -0.64 0.11 115.31 123.99 1jgn h LEU 65 Ca -0.00 0.03 0.28 0.00 0.13 0.00 0.00 57.88 58.32 1jgn h LEU 65 Cb 0.69 0.18 -0.07 0.00 -0.53 0.00 0.00 40.66 40.93 1jgn h LEU 65 CO 0.00 -0.39 0.71 -0.09 -0.13 0.00 0.00 178.44 178.54 1jgn h ARG 66 N -0.63 0.24 -0.28 1.25 2.43 -1.68 0.97 114.38 116.68 1jgn h ARG 66 Ca -0.06 -0.01 -0.14 0.00 -0.81 0.00 0.00 59.98 58.96 1jgn h ARG 66 Cb 0.50 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1jgn h ARG 66 CO 0.06 0.16 -0.40 0.77 -1.51 0.00 0.00 179.97 179.05 1jgn h SER 67 N 0.24 0.71 0.57 -3.80 0.02 -1.32 0.11 113.55 110.10 1jgn h SER 67 Ca 0.56 -0.32 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1jgn h SER 67 Cb 1.71 -0.20 0.01 0.00 0.14 0.00 0.00 62.40 64.05 1jgn h SER 67 CO -0.18 1.03 -0.27 0.50 -1.14 0.00 0.00 176.83 176.77 1jgn h LYS 68 N 0.55 -0.74 0.00 3.45 3.64 0.35 -2.80 116.57 121.03 1jgn h LYS 68 Ca 0.05 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1jgn h LYS 68 Cb 0.93 0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1jgn h LYS 68 CO 0.08 -0.43 0.00 0.28 -2.27 0.00 0.00 179.45 177.11 1jgn h VAL 69 N -1.05 0.00 -0.24 2.00 2.07 -0.93 -1.96 116.25 116.14 1jgn h VAL 69 Ca -0.08 -0.16 0.04 0.00 0.82 0.00 0.00 66.70 67.32 1jgn h VAL 69 Cb 0.65 1.10 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1jgn h VAL 69 CO 0.13 0.00 -0.02 -0.78 0.02 0.00 0.00 177.57 176.92 1jgn h ASP 70 N 0.00 -0.14 0.64 0.57 3.58 -0.49 0.21 116.42 120.79 1jgn h ASP 70 Ca 0.00 0.06 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 1jgn h ASP 70 Cb 0.17 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1jgn h ASP 70 CO 0.00 -0.04 -0.26 -0.08 -2.88 0.00 0.00 179.24 175.98 1jgn h GLU 71 N 0.04 0.00 -0.50 0.28 4.57 -1.32 -2.92 114.58 114.73 1jgn h GLU 71 Ca 0.11 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1jgn h GLU 71 Cb 0.16 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1jgn h GLU 71 CO -0.21 0.26 0.25 0.00 -1.18 0.00 0.00 179.01 178.13 1jgn h ALA 72 N 1.74 0.65 -0.16 2.92 0.00 -0.39 -1.11 119.26 122.90 1jgn h ALA 72 Ca -0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1jgn h ALA 72 Cb 0.65 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1jgn h ALA 72 CO 0.03 0.20 0.05 -0.39 0.00 0.00 0.00 179.25 179.14 1jgn h VAL 73 N 0.67 1.08 -0.53 0.00 -1.51 -0.79 -1.54 116.25 113.63 1jgn h VAL 73 Ca 0.17 -0.25 -0.09 0.00 -1.23 0.00 0.00 66.70 65.30 1jgn h VAL 73 Cb 0.10 0.90 -0.02 0.00 -2.13 0.00 0.00 31.29 30.14 1jgn h VAL 73 CO -0.02 0.09 -0.04 0.00 -1.23 0.00 0.00 177.57 176.37 1jgn h ALA 74 N 1.84 0.94 -0.30 5.19 0.00 -1.22 -2.29 119.26 123.42 1jgn h ALA 74 Ca 0.06 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.70 1jgn h ALA 74 Cb 0.07 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1jgn h ALA 74 CO -0.00 0.63 0.20 -0.39 0.00 0.00 0.00 179.25 179.69 1jgn h VAL 75 N 0.85 0.98 -0.10 0.00 -1.51 -0.21 -1.39 116.25 114.87 1jgn h VAL 75 Ca 0.15 -0.09 -0.06 0.00 -1.23 0.00 0.00 66.70 65.48 1jgn h VAL 75 Cb 0.55 0.71 -0.00 0.00 -2.13 0.00 0.00 31.29 30.42 1jgn h VAL 75 CO 0.03 0.05 -0.17 0.25 -1.23 0.00 0.00 177.57 176.50 1jgn h LEU 76 N 0.25 0.32 -1.30 4.19 7.12 -1.32 -0.99 115.31 123.59 1jgn h LEU 76 Ca 0.13 -0.54 0.17 0.00 0.13 0.00 0.00 57.88 57.77 1jgn h LEU 76 Cb 0.20 -0.09 -0.08 0.00 -0.53 0.00 0.00 40.66 40.16 1jgn h LEU 76 CO -0.03 0.80 0.59 1.56 -0.13 0.00 0.00 178.44 181.23 1jgn h GLN 77 N -0.14 0.60 0.00 1.25 1.08 -0.82 0.35 115.11 117.43 1jgn h GLN 77 Ca 0.01 -0.04 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 1jgn h GLN 77 Cb 0.73 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 28.02 1jgn h GLN 77 CO 0.04 0.40 -0.37 0.00 -0.95 0.00 0.00 178.83 177.94 1jgn h ALA 78 N 1.61 0.80 -0.45 3.87 0.00 -1.23 -3.27 119.26 120.58 1jgn h ALA 78 Ca 0.48 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1jgn h ALA 78 Cb 0.90 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1jgn h ALA 78 CO -0.23 0.34 -0.03 1.25 0.00 0.00 0.00 179.25 180.58 1jgn h HIS 79 N 0.00 0.81 -0.01 0.00 -0.00 0.11 -2.01 115.15 114.05 1jgn h HIS 79 Ca -0.01 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.24 1jgn h HIS 79 Cb 1.21 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.40 1jgn h HIS 79 CO 0.00 0.77 0.00 1.04 -0.00 0.00 0.00 177.93 179.74 1jgn n GLN 80 N -4.21 1.19 0.00 5.26 6.02 -0.86 -3.32 117.38 121.47 1jgn n GLN 80 Ca 0.02 -0.28 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 1jgn n GLN 80 Cb 0.31 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.10 1jgn n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jgn n ALA 81 N -0.63 -0.16 0.36 -1.58 0.00 -0.76 -2.47 120.51 115.26 1jgn n ALA 81 Ca 0.21 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.79 1jgn n ALA 81 Cb 0.17 0.00 0.52 0.00 0.00 0.00 0.00 19.45 20.14 1jgn n ALA 81 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jgn h LYS 82 N 0.00 0.00 -0.01 0.00 1.79 -1.73 -2.47 116.57 114.16 1jgn h LYS 82 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1jgn h LYS 82 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1jgn h LYS 82 CO 0.00 0.00 -0.10 -1.91 -1.08 0.00 0.00 179.45 176.36 1jgn n GLU 83 N -2.67 1.05 0.00 3.15 2.13 -1.21 -3.82 120.64 119.27 1jgn n GLU 83 Ca 0.02 -0.48 0.00 0.00 0.66 0.00 0.00 57.16 57.36 1jgn n GLU 83 Cb 0.32 -1.49 0.00 0.00 0.27 0.00 0.00 31.44 30.54 1jgn n GLU 83 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jgn n ALA 84 N -0.56 2.10 -1.79 4.31 0.00 -0.93 -4.81 120.51 118.84 1jgn n ALA 84 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.18 1jgn n ALA 84 Cb 0.30 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.72 1jgn n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgn s ALA 85 N -1.40 3.13 1.00 0.00 0.00 -1.25 -4.98 121.76 118.27 1jgn s ALA 85 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.78 1jgn s ALA 85 Cb 0.00 -3.94 0.00 0.00 0.00 0.00 0.00 23.12 19.18 1jgn s ALA 85 CO 0.00 -2.20 0.00 1.04 0.00 0.00 0.00 175.76 174.60 1jgn n GLN 86 N 8.08 -0.23 -0.38 0.00 6.02 -1.26 -5.06 117.38 124.55 1jgn n GLN 86 Ca 0.23 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 57.14 1jgn n GLN 86 Cb 0.44 0.00 0.06 0.00 1.02 0.00 0.00 30.24 31.76 1jgn n GLN 86 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1jgn n LYS 87 N -0.98 -1.07 -2.31 -1.09 3.00 -1.26 -4.87 118.16 109.58 1jgn n LYS 87 Ca 0.00 -0.51 -0.35 0.00 -0.00 0.00 0.00 58.31 57.45 1jgn n LYS 87 Cb 0.00 -0.42 -0.03 0.00 0.00 0.00 0.00 35.03 34.58 1jgn n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jgn s ALA 88 N -3.42 2.46 -0.94 3.14 0.00 -1.26 -4.67 121.76 117.07 1jgn s ALA 88 Ca 0.20 -2.41 0.18 0.00 0.00 0.00 0.00 51.96 49.92 1jgn s ALA 88 Cb -0.01 -4.64 0.74 0.00 0.00 0.00 0.00 23.12 19.20 1jgn s ALA 88 CO 0.15 -4.31 1.66 0.28 0.00 0.00 0.00 175.76 173.53 1jgn n VAL 89 N 7.19 2.03 0.81 0.00 0.31 -1.26 -4.32 118.33 123.08 1jgn n VAL 89 Ca 0.45 -1.25 0.03 0.00 -0.01 0.00 0.00 64.34 63.56 1jgn n VAL 89 Cb 0.47 0.04 0.12 0.00 -0.91 0.00 0.00 33.84 33.57 1jgn n VAL 89 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1jgn n ASN 90 N 1.01 1.94 -3.10 4.52 5.15 -1.26 -4.72 115.26 118.79 1jgn n ASN 90 Ca 0.26 -2.15 0.00 0.00 -0.60 0.00 0.00 54.58 52.09 1jgn n ASN 90 Cb 0.95 -0.35 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 1jgn n ASN 90 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1jgn n SER 91 N 0.22 0.00 -3.40 1.20 7.64 -1.26 -4.87 113.62 113.15 1jgn n SER 91 Ca 0.09 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.57 1jgn n SER 91 Cb 0.38 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.56 1jgn n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jgn n ALA 92 N -3.00 7.19 -2.53 -0.43 0.00 -1.26 -4.90 120.51 115.58 1jgn n ALA 92 Ca 0.00 -3.76 -0.27 0.00 0.00 0.00 0.00 53.44 49.41 1jgn n ALA 92 Cb 0.00 -3.16 -0.07 0.00 0.00 0.00 0.00 19.45 16.23 1jgn n ALA 92 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jgn s THR 93 N 0.96 1.86 -1.39 0.00 -4.23 -1.26 -5.04 115.64 106.54 1jgn s THR 93 Ca 0.63 -1.77 -0.11 0.00 -1.18 0.00 0.00 61.69 59.26 1jgn s THR 93 Cb 0.18 -2.64 0.09 0.00 1.34 0.00 0.00 72.50 71.47 1jgn s THR 93 CO -0.07 0.00 2.16 0.61 -0.54 0.00 0.00 174.62 176.78 1jgn n GLY 94 N -1.31 4.63 3.70 3.99 0.00 -1.26 -4.95 105.19 110.00 1jgn n GLY 94 Ca -0.06 -1.84 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 1jgn n GLY 94 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jgn s VAL 95 N 1.48 5.27 -0.77 1.61 0.11 -1.26 -5.02 120.40 121.82 1jgn s VAL 95 Ca 0.46 0.61 -0.26 0.00 -2.93 0.00 0.00 61.98 59.86 1jgn s VAL 95 Cb 0.13 -3.67 -0.01 0.00 -1.53 0.00 0.00 36.38 31.30 1jgn s VAL 95 CO -0.05 0.34 1.76 -2.16 -3.33 0.00 0.00 175.10 171.66 1jgn s PRO 96 N 0.80 2.79 -0.38 1.54 0.04 -1.26 -4.84 135.00 133.68 1jgn s PRO 96 Ca 0.17 0.01 -0.01 0.00 0.04 0.00 0.00 61.00 61.22 1jgn s PRO 96 Cb -0.14 -4.68 0.27 0.00 0.04 0.00 0.00 34.50 30.00 1jgn s PRO 96 CO 0.06 -2.80 1.98 0.25 0.04 0.00 0.00 177.00 176.53 1jgn n THR 97 N 7.27 2.90 0.55 1.26 -2.24 -1.26 -5.30 114.28 117.47 1jgn n THR 97 Ca 0.26 -1.85 0.07 0.00 -2.27 0.00 0.00 64.05 60.25 1jgn n THR 97 Cb 0.50 -1.25 0.06 0.00 -2.10 0.00 0.00 70.33 67.53 1jgn n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02