#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgn h PRO 2 N 0.00 0.00 -1.85 1.61 0.13 -2.07 -3.28 132.00 126.53 1jgn h PRO 2 Ca 0.00 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 64.84 1jgn h PRO 2 Cb 0.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.02 1jgn h PRO 2 CO 0.00 0.05 0.16 1.28 -0.23 0.00 0.00 178.00 179.26 1jgn n LEU 3 N -3.13 6.01 -0.42 1.56 4.32 -1.26 -4.37 117.00 119.72 1jgn n LEU 3 Ca 0.02 -3.36 0.10 0.00 -0.02 0.00 0.00 56.01 52.75 1jgn n LEU 3 Cb 0.45 -1.20 0.42 0.00 -1.62 0.00 0.00 43.42 41.46 1jgn n LEU 3 CO 0.32 1.45 0.79 0.61 -1.22 0.00 0.00 177.39 179.34 1jgn n GLY 4 N 1.18 -0.03 0.07 -0.72 0.00 -1.24 -4.07 105.19 100.38 1jgn n GLY 4 Ca 0.34 -0.35 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 1jgn n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1jgn h SER 5 N 1.69 0.00 0.00 1.61 0.87 -1.93 -3.47 113.55 112.34 1jgn h SER 5 Ca 0.00 -0.87 0.00 0.00 -1.23 0.00 0.00 61.79 59.69 1jgn h SER 5 Cb 0.37 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.33 1jgn h SER 5 CO 0.00 0.87 0.00 -0.81 -0.53 0.00 0.00 176.83 176.36 1jgn n PRO 6 N -4.67 1.18 -2.44 2.24 -0.04 -1.26 -5.06 135.00 124.95 1jgn n PRO 6 Ca -0.10 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.13 1jgn n PRO 6 Cb 0.42 0.00 0.12 0.00 -0.04 0.00 0.00 33.50 34.01 1jgn n PRO 6 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jgn n LEU 7 N 0.00 0.00 0.01 1.53 4.32 -1.26 -5.03 117.00 116.57 1jgn n LEU 7 Ca 0.00 -1.98 -0.07 0.00 -0.02 0.00 0.00 56.01 53.94 1jgn n LEU 7 Cb 0.00 -0.66 -0.12 0.00 -1.62 0.00 0.00 43.42 41.01 1jgn n LEU 7 CO 0.00 -1.02 -0.33 0.00 -1.22 0.00 0.00 177.39 174.82 1jgn h THR 8 N -0.71 0.96 -0.80 -5.08 1.03 -1.96 -3.09 112.91 103.26 1jgn h THR 8 Ca -0.33 -2.73 0.02 0.00 -0.01 0.00 0.00 66.41 63.36 1jgn h THR 8 Cb 1.18 2.45 -0.04 0.00 -1.07 0.00 0.00 68.15 70.67 1jgn h THR 8 CO 0.34 0.55 0.53 0.00 -0.01 0.00 0.00 175.52 176.92 1jgn h ALA 9 N 1.07 1.47 -0.21 0.00 0.00 -1.95 0.16 119.26 119.80 1jgn h ALA 9 Ca -0.21 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.53 1jgn h ALA 9 Cb 1.89 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1jgn h ALA 9 CO 0.08 0.47 -0.41 1.03 0.00 0.00 0.00 179.25 180.42 1jgn h SER 10 N 1.03 0.52 -0.60 0.00 0.87 -1.97 -2.81 113.55 110.59 1jgn h SER 10 Ca 0.30 -0.23 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 1jgn h SER 10 Cb -0.05 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 1jgn h SER 10 CO -0.08 0.87 0.14 0.24 -0.53 0.00 0.00 176.83 177.47 1jgn h MET 11 N 0.40 1.00 -0.42 2.24 2.86 -0.93 -1.89 114.93 118.18 1jgn h MET 11 Ca 0.03 -0.23 0.08 0.00 -2.06 0.00 0.00 59.70 57.52 1jgn h MET 11 Cb 0.89 -0.13 -0.07 0.00 0.06 0.00 0.00 31.60 32.34 1jgn h MET 11 CO 0.08 0.90 -0.05 -0.07 1.06 0.00 0.00 176.91 178.83 1jgn h LEU 12 N 0.95 -0.27 -1.31 1.22 3.38 -0.52 1.23 115.31 119.99 1jgn h LEU 12 Ca 0.20 0.11 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 1jgn h LEU 12 Cb 0.36 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1jgn h LEU 12 CO 0.00 -0.09 -0.31 0.00 0.09 0.00 0.00 178.44 178.13 1jgn h ALA 13 N 1.40 1.43 -0.57 1.53 0.00 -1.46 -2.72 119.26 118.86 1jgn h ALA 13 Ca 0.21 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jgn h ALA 13 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1jgn h ALA 13 CO -0.39 0.42 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 1jgn n SER 14 N -4.15 5.19 -3.69 0.00 3.41 0.39 -4.86 113.62 109.91 1jgn n SER 14 Ca -0.02 -2.75 -0.23 0.00 -0.26 0.00 0.00 58.87 55.61 1jgn n SER 14 Cb 0.37 -0.63 -0.17 0.00 -0.26 0.00 0.00 64.21 63.52 1jgn n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jgn s ALA 15 N -2.42 0.49 1.10 7.33 0.00 0.40 -4.96 121.76 123.69 1jgn s ALA 15 Ca 0.52 -0.11 -0.17 0.00 0.00 0.00 0.00 51.96 52.20 1jgn s ALA 15 Cb 0.37 -0.82 0.12 0.00 0.00 0.00 0.00 23.12 22.80 1jgn s ALA 15 CO 0.18 -0.72 0.21 -2.30 0.00 0.00 0.00 175.76 173.13 1jgn n PRO 16 N 5.23 -1.47 -0.07 0.00 -0.02 -1.26 -4.73 135.00 132.68 1jgn n PRO 16 Ca -0.06 -0.40 0.11 0.00 -2.02 0.00 0.00 63.50 61.13 1jgn n PRO 16 Cb 0.49 -1.79 0.50 0.00 -0.02 0.00 0.00 33.50 32.68 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 -2.05 0.40 0.00 0.52 0.11 -2.01 0.13 132.00 129.09 1jgn h PRO 17 Ca -0.53 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.56 1jgn h PRO 17 Cb 1.34 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1jgn h PRO 17 CO 0.39 0.26 0.00 1.04 -0.21 0.00 0.00 178.00 179.48 1jgn n GLN 18 N -4.47 0.10 -0.16 1.05 3.00 -1.26 -2.45 117.38 113.20 1jgn n GLN 18 Ca 0.09 0.29 0.03 0.00 -0.01 0.00 0.00 57.00 57.40 1jgn n GLN 18 Cb 0.34 -1.68 0.09 0.00 0.00 0.00 0.00 30.24 29.00 1jgn n GLN 18 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1jgn n GLU 19 N -1.87 1.69 0.09 -1.09 4.71 0.45 -4.37 120.64 120.24 1jgn n GLU 19 Ca 0.03 -0.75 -0.11 0.00 -0.01 0.00 0.00 57.16 56.32 1jgn n GLU 19 Cb 0.23 -1.38 -0.06 0.00 -1.01 0.00 0.00 31.44 29.22 1jgn n GLU 19 CO 0.00 0.00 0.00 -0.56 0.09 0.00 0.00 177.13 176.66 1jgn h GLN 20 N 1.10 -0.49 0.00 3.49 3.07 -1.62 -0.93 115.11 119.73 1jgn h GLN 20 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 58.65 58.77 1jgn h GLN 20 Cb 0.52 0.11 0.00 0.00 0.08 0.00 0.00 27.48 28.19 1jgn h GLN 20 CO 0.05 -0.33 0.20 1.57 0.09 0.00 0.00 178.83 180.41 1jgn h LYS 21 N -0.51 0.00 0.00 0.06 5.09 -1.72 0.91 116.57 120.40 1jgn h LYS 21 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.73 1jgn h LYS 21 Cb 0.50 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.83 1jgn h LYS 21 CO -0.17 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 178.13 1jgn n GLN 22 N -2.89 0.00 0.00 0.07 7.27 -0.40 -4.31 117.38 117.12 1jgn n GLN 22 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 1jgn n GLN 22 Cb 0.25 -0.64 0.00 0.00 2.41 0.00 0.00 30.24 32.26 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 -0.48 0.00 0.00 3.69 0.00 -0.95 -4.22 117.12 115.17 1jgn n MET 23 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1jgn n MET 23 Cb 0.00 -0.12 0.02 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 -4.77 117.00 114.17 1jgn n LEU 24 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1jgn n LEU 24 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 1jgn n LEU 24 CO 0.00 -0.07 0.00 0.61 -0.00 0.00 0.00 177.39 177.93 1jgn n GLY 25 N -1.02 2.91 0.01 1.47 0.00 0.31 -1.22 105.19 107.64 1jgn n GLY 25 Ca 0.01 0.10 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.02 0.00 1.61 3.07 -1.87 -3.00 114.58 114.38 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 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1jgn h GLU 26 CO 0.00 -0.01 0.00 -2.13 -1.40 0.00 0.00 179.01 175.47 1jgn n ARG 27 N -2.18 0.00 0.00 2.33 3.00 -0.76 -4.90 116.66 114.15 1jgn n ARG 27 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1jgn n ARG 27 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.47 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 -0.26 6.15 4.77 -0.36 -3.43 117.00 123.87 1jgn n LEU 28 Ca 0.00 0.76 0.06 0.00 -0.03 0.00 0.00 56.01 56.79 1jgn n LEU 28 Cb 0.50 -0.26 0.13 0.00 -2.33 0.00 0.00 43.42 41.46 1jgn n LEU 28 CO 0.00 -0.26 0.50 0.33 -1.33 0.00 0.00 177.39 176.64 1jgn n PHE 29 N -1.29 0.31 -0.20 -1.77 -0.00 -1.22 -0.22 117.46 113.07 1jgn n PHE 29 Ca 0.00 0.88 -0.04 0.00 -0.00 0.00 0.00 57.45 58.30 1jgn n PHE 29 Cb 0.00 -0.95 0.07 0.00 -0.00 0.00 0.00 39.48 38.60 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 0.63 -0.19 -7.13 0.11 -1.84 1.40 132.00 124.97 1jgn h PRO 30 Ca 0.37 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.34 1jgn h PRO 30 Cb 0.62 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 1jgn h PRO 30 CO -0.73 0.41 -0.29 -0.07 -0.21 0.00 0.00 178.00 177.11 1jgn h LEU 31 N 0.64 0.59 -0.16 2.35 3.38 -0.62 -2.53 115.31 118.98 1jgn h LEU 31 Ca 0.25 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1jgn h LEU 31 Cb 0.10 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1jgn h LEU 31 CO -0.14 1.00 0.00 -0.38 0.09 0.00 0.00 178.44 179.01 1jgn n ILE 32 N -4.35 0.55 -0.17 1.22 5.41 -0.68 -2.46 119.36 118.88 1jgn n ILE 32 Ca -0.06 -0.01 -0.02 0.00 1.00 0.00 0.00 62.75 63.66 1jgn n ILE 32 Cb 0.47 -0.76 0.20 0.00 -0.71 0.00 0.00 39.64 38.84 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 0.91 -0.11 0.38 5.75 0.24 1.42 115.11 123.70 1jgn h GLN 33 Ca 0.00 -0.14 -0.10 0.00 -0.15 0.00 0.00 58.65 58.25 1jgn h GLN 33 Cb 0.51 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 1jgn h GLN 33 CO 0.00 0.74 -0.40 0.00 -2.65 0.00 0.00 178.83 176.52 1jgn h ALA 34 N 1.38 1.12 -0.90 3.38 0.00 -1.43 -2.29 119.26 120.53 1jgn h ALA 34 Ca 0.21 -0.40 -0.41 0.00 0.00 0.00 0.00 54.91 54.31 1jgn h ALA 34 Cb 0.16 -0.09 -0.24 0.00 0.00 0.00 0.00 17.79 17.62 1jgn h ALA 34 CO -0.02 0.58 0.51 -1.33 0.00 0.00 0.00 179.25 178.99 1jgn n MET 35 N -4.04 2.78 0.09 0.00 2.81 0.21 -4.62 117.12 114.36 1jgn n MET 35 Ca -0.01 -3.05 0.02 0.00 -1.81 0.00 0.00 57.70 52.85 1jgn n MET 35 Cb 0.47 -2.19 0.38 0.00 -0.71 0.00 0.00 33.22 31.17 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 1.60 0.32 -1.56 2.03 -0.00 0.24 -3.07 115.15 114.71 1jgn h HIS 36 Ca 0.50 -0.03 0.45 0.00 -0.00 0.00 0.00 60.37 61.29 1jgn h HIS 36 Cb 2.67 -0.09 -0.06 0.00 -0.00 0.00 0.00 27.41 29.93 1jgn h HIS 36 CO 1.48 0.39 1.26 -2.30 -0.00 0.00 0.00 177.93 178.76 1jgn n PRO 37 N -4.30 0.00 0.00 5.12 -0.02 -1.26 -2.14 135.00 132.40 1jgn n PRO 37 Ca -0.00 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1jgn n PRO 37 Cb 0.24 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 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 -3.55 0.00 -2.67 3.45 -1.04 -1.16 -4.99 114.28 104.32 1jgn n THR 38 Ca 0.35 0.06 -0.05 0.00 -2.04 0.00 0.00 64.05 62.38 1jgn n THR 38 Cb 1.72 -0.16 0.03 0.00 -1.82 0.00 0.00 70.33 70.10 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 -0.17 -1.37 -0.22 -4.42 7.94 -0.91 -5.03 117.00 112.83 1jgn n LEU 39 Ca 0.00 -2.33 0.09 0.00 -1.11 0.00 0.00 56.01 52.67 1jgn n LEU 39 Cb 0.00 0.58 0.19 0.00 0.53 0.00 0.00 43.42 44.72 1jgn n LEU 39 CO 0.00 1.38 0.50 0.00 -1.11 0.00 0.00 177.39 178.16 1jgn n ALA 40 N -0.55 0.32 -0.20 1.96 0.00 -1.24 -0.90 120.51 119.90 1jgn n ALA 40 Ca -0.19 0.67 -0.12 0.00 0.00 0.00 0.00 53.44 53.80 1jgn n ALA 40 Cb 0.71 -0.49 -0.08 0.00 0.00 0.00 0.00 19.45 19.59 1jgn n ALA 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jgn h GLY 41 N 0.00 -0.85 2.00 0.00 0.00 -1.91 -1.56 103.07 100.75 1jgn h GLY 41 Ca 0.38 0.69 -0.12 0.00 0.00 0.00 0.00 47.33 48.28 1jgn h GLY 41 CO -0.59 -0.10 -0.59 1.70 0.00 0.00 0.00 176.54 176.96 1jgn h LYS 42 N -0.29 0.00 0.47 4.80 1.63 -1.46 -3.29 116.57 118.42 1jgn h LYS 42 Ca 0.11 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.90 1jgn h LYS 42 Cb 0.56 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.18 1jgn h LYS 42 CO -0.67 0.59 -0.33 0.82 -3.45 0.00 0.00 179.45 176.41 1jgn h ILE 43 N 0.00 0.33 -0.98 2.00 2.04 -0.89 -2.25 117.51 117.76 1jgn h ILE 43 Ca -0.01 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.05 1jgn h ILE 43 Cb 1.29 0.33 -0.11 0.00 -0.74 0.00 0.00 36.82 37.58 1jgn h ILE 43 CO 0.08 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.80 1jgn h THR 44 N -0.77 0.66 0.01 -0.27 1.03 -1.44 -2.30 112.91 109.83 1jgn h THR 44 Ca -0.05 -0.23 0.00 0.00 -0.01 0.00 0.00 66.41 66.12 1jgn h THR 44 Cb 0.65 -0.09 -0.01 0.00 -1.07 0.00 0.00 68.15 67.64 1jgn h THR 44 CO 0.02 0.12 -0.09 1.23 -0.01 0.00 0.00 175.52 176.80 1jgn h GLY 45 N 0.68 -1.28 0.56 2.99 0.00 -1.48 0.65 103.07 105.20 1jgn h GLY 45 Ca 0.58 0.58 0.05 0.00 0.00 0.00 0.00 47.33 48.53 1jgn h GLY 45 CO -0.41 -0.46 -0.01 -0.33 0.00 0.00 0.00 176.54 175.33 1jgn h MET 46 N -0.11 0.07 0.00 4.80 2.86 -1.31 -0.81 114.93 120.43 1jgn h MET 46 Ca 0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jgn h MET 46 Cb 0.12 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.76 1jgn h MET 46 CO -0.05 0.05 0.00 1.28 1.06 0.00 0.00 176.91 179.24 1jgn n LEU 47 N -5.17 0.00 0.28 1.22 7.99 -0.89 -3.65 117.00 116.79 1jgn n LEU 47 Ca -0.01 0.00 0.16 0.00 -0.01 0.00 0.00 56.01 56.16 1jgn n LEU 47 Cb 0.14 0.00 0.81 0.00 -0.11 0.00 0.00 43.42 44.27 1jgn n LEU 47 CO 0.24 0.00 1.02 0.25 -1.51 0.00 0.00 177.39 177.38 1jgn h LEU 48 N 0.00 0.00 -1.17 2.23 7.12 0.19 -2.50 115.31 121.17 1jgn h LEU 48 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1jgn h LEU 48 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 1jgn h LEU 48 CO 0.00 0.06 0.00 -0.62 -0.13 0.00 0.00 178.44 177.75 1jgn n GLU 49 N -3.31 0.73 -2.14 1.25 -0.58 -1.24 -4.80 120.64 110.55 1jgn n GLU 49 Ca -0.01 0.00 -0.28 0.00 -0.42 0.00 0.00 57.16 56.45 1jgn n GLU 49 Cb 0.23 -1.33 0.04 0.00 -0.57 0.00 0.00 31.44 29.82 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 -0.78 3.45 0.68 -3.67 2.07 -0.95 -5.05 121.20 116.95 1jgn s ILE 50 Ca 0.00 0.20 -0.14 0.00 -1.41 0.00 0.00 60.65 59.30 1jgn s ILE 50 Cb 0.00 -3.43 0.01 0.00 0.13 0.00 0.00 42.46 39.17 1jgn s ILE 50 CO 0.00 -0.50 1.09 -1.81 -1.91 0.00 0.00 174.94 171.82 1jgn s ASP 51 N -4.35 5.10 0.02 4.50 1.01 -1.26 -4.97 116.67 116.72 1jgn s ASP 51 Ca 0.56 1.91 0.14 0.00 0.71 0.00 0.00 52.55 55.87 1jgn s ASP 51 Cb -0.11 -2.54 -0.18 0.00 1.01 0.00 0.00 42.92 41.10 1jgn s ASP 51 CO 0.48 -1.64 0.81 0.78 0.21 0.00 0.00 175.17 175.81 1jgn h ASN 52 N -0.21 0.00 0.69 0.27 4.21 -1.97 -2.80 115.58 115.78 1jgn h ASN 52 Ca -0.46 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 56.90 1jgn h ASN 52 Cb 1.24 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.42 1jgn h ASN 52 CO 0.54 0.82 -0.70 -1.28 -1.29 0.00 0.00 177.43 175.52 1jgn h SER 53 N 0.00 0.02 1.30 5.81 0.87 -2.01 -3.01 113.55 116.53 1jgn h SER 53 Ca -0.21 -0.01 -0.15 0.00 -1.23 0.00 0.00 61.79 60.20 1jgn h SER 53 Cb 1.81 -0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.74 1jgn h SER 53 CO 0.07 0.71 -0.70 -0.33 -0.53 0.00 0.00 176.83 176.06 1jgn h GLU 54 N 0.01 0.00 -0.37 2.24 4.39 -1.96 -3.17 114.58 115.71 1jgn h GLU 54 Ca -0.01 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.71 1jgn h GLU 54 Cb 1.25 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 1jgn h GLU 54 CO 0.09 0.69 0.22 1.37 -1.16 0.00 0.00 179.01 180.22 1jgn h LEU 55 N 0.00 0.36 -0.64 1.33 8.10 -1.35 0.13 115.31 123.24 1jgn h LEU 55 Ca -0.01 0.00 -0.06 0.00 0.11 0.00 0.00 57.88 57.92 1jgn h LEU 55 Cb 1.53 -0.07 -0.03 0.00 -0.44 0.00 0.00 40.66 41.65 1jgn h LEU 55 CO 0.09 0.26 0.17 0.25 -4.11 0.00 0.00 178.44 175.10 1jgn h LEU 56 N 0.44 0.95 -1.52 0.17 7.12 -1.62 -2.44 115.31 118.42 1jgn h LEU 56 Ca 0.15 -0.23 -0.05 0.00 0.13 0.00 0.00 57.88 57.88 1jgn h LEU 56 Cb 0.00 -0.25 -0.01 0.00 -0.53 0.00 0.00 40.66 39.87 1jgn h LEU 56 CO -0.07 0.93 -0.21 -0.74 -0.13 0.00 0.00 178.44 178.22 1jgn h HIS 57 N 0.93 0.05 -0.30 1.25 2.76 -1.38 -2.79 115.15 115.67 1jgn h HIS 57 Ca 0.20 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1jgn h HIS 57 Cb 0.34 -0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 1jgn h HIS 57 CO 0.02 0.25 0.02 0.52 -1.30 0.00 0.00 177.93 177.45 1jgn h MET 58 N 0.04 0.52 0.00 5.26 2.86 -0.26 0.40 114.93 123.75 1jgn h MET 58 Ca 0.01 -0.16 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 1jgn h MET 58 Cb 0.40 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1jgn h MET 58 CO 0.03 0.65 0.00 1.25 1.06 0.00 0.00 176.91 179.90 1jgn h LEU 59 N 0.33 0.00 -0.38 1.22 7.12 -1.32 -1.68 115.31 120.59 1jgn h LEU 59 Ca 0.09 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.10 1jgn h LEU 59 Cb 0.41 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.54 1jgn h LEU 59 CO 0.01 0.00 -0.80 -1.84 -0.13 0.00 0.00 178.44 175.68 1jgn n GLU 60 N -2.85 0.49 -3.81 1.25 0.28 -0.92 -4.71 120.64 110.38 1jgn n GLU 60 Ca -0.00 -0.38 -0.29 0.00 -0.16 0.00 0.00 57.16 56.33 1jgn n GLU 60 Cb 0.20 -1.49 -0.13 0.00 1.43 0.00 0.00 31.44 31.45 1jgn n GLU 60 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1jgn s SER 61 N -2.79 3.94 0.44 -1.84 0.15 0.08 -4.96 113.70 108.72 1jgn s SER 61 Ca 0.12 -2.96 0.09 0.00 0.70 0.00 0.00 55.95 53.90 1jgn s SER 61 Cb 0.17 -1.31 0.96 0.00 -1.71 0.00 0.00 66.02 64.13 1jgn s SER 61 CO 0.75 -0.22 2.08 1.55 1.20 0.00 0.00 173.24 178.60 1jgn h PRO 62 N 6.41 0.41 0.01 5.44 0.13 -1.85 0.25 132.00 142.80 1jgn h PRO 62 Ca 0.00 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.09 1jgn h PRO 62 Cb 0.89 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1jgn h PRO 62 CO 0.58 0.27 -0.08 0.93 -0.23 0.00 0.00 178.00 179.47 1jgn h GLU 63 N 0.42 0.04 -0.09 0.86 4.39 -1.93 -2.75 114.58 115.53 1jgn h GLU 63 Ca 0.11 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.64 1jgn h GLU 63 Cb -0.04 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 1jgn h GLU 63 CO -0.02 0.93 -0.46 0.77 -1.16 0.00 0.00 179.01 179.07 1jgn h SER 64 N -0.82 0.23 0.16 1.42 0.02 -1.90 -3.02 113.55 109.64 1jgn h SER 64 Ca -0.01 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.83 1jgn h SER 64 Cb 0.97 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1jgn h SER 64 CO 0.02 0.66 -0.08 0.25 -1.14 0.00 0.00 176.83 176.54 1jgn h LEU 65 N 0.17 -0.18 -1.98 5.07 5.85 -0.61 -3.11 115.31 120.51 1jgn h LEU 65 Ca 0.01 0.01 0.31 0.00 0.84 0.00 0.00 57.88 59.04 1jgn h LEU 65 Cb 0.88 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1jgn h LEU 65 CO 0.07 0.03 0.78 -0.09 -0.34 0.00 0.00 178.44 178.89 1jgn h ARG 66 N -0.54 0.00 -0.41 1.25 2.43 -1.61 0.51 114.38 116.02 1jgn h ARG 66 Ca -0.02 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.10 1jgn h ARG 66 Cb 0.17 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1jgn h ARG 66 CO 0.04 0.00 0.05 1.03 -1.51 0.00 0.00 179.97 179.58 1jgn h SER 67 N 0.00 0.67 0.42 -3.80 0.87 -1.60 0.40 113.55 110.50 1jgn h SER 67 Ca 0.50 -0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.77 1jgn h SER 67 Cb 2.06 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.85 1jgn h SER 67 CO -0.01 0.77 -0.20 0.11 -0.53 0.00 0.00 176.83 176.97 1jgn h LYS 68 N 0.54 -0.55 0.00 2.24 1.57 0.05 -2.82 116.57 117.61 1jgn h LYS 68 Ca 0.12 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1jgn h LYS 68 Cb 0.40 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.83 1jgn h LYS 68 CO 0.01 -0.24 0.00 0.28 -0.57 0.00 0.00 179.45 178.93 1jgn h VAL 69 N -0.86 0.00 -0.33 0.50 2.07 -1.30 -2.10 116.25 114.24 1jgn h VAL 69 Ca -0.06 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 67.27 1jgn h VAL 69 Cb 0.56 1.22 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1jgn h VAL 69 CO 0.10 0.00 0.05 -0.78 0.02 0.00 0.00 177.57 176.96 1jgn h ASP 70 N 0.00 -0.02 -0.01 0.57 3.58 0.06 0.16 116.42 120.76 1jgn h ASP 70 Ca 0.00 0.06 -0.09 0.00 0.42 0.00 0.00 57.03 57.42 1jgn h ASP 70 Cb 0.25 0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1jgn h ASP 70 CO 0.00 0.03 -0.25 -0.08 -2.88 0.00 0.00 179.24 176.06 1jgn h GLU 71 N 0.16 0.42 -0.64 0.28 4.81 -1.36 -2.78 114.58 115.48 1jgn h GLU 71 Ca 0.15 -0.15 0.07 0.00 -0.13 0.00 0.00 59.36 59.31 1jgn h GLU 71 Cb 0.18 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.47 1jgn h GLU 71 CO -0.22 0.64 0.31 0.00 -0.73 0.00 0.00 179.01 179.02 1jgn h ALA 72 N 1.37 0.85 -0.25 2.92 0.00 -0.62 0.18 119.26 123.70 1jgn h ALA 72 Ca 0.06 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1jgn h ALA 72 Cb 0.64 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1jgn h ALA 72 CO 0.05 -0.06 0.17 0.28 0.00 0.00 0.00 179.25 179.68 1jgn h VAL 73 N 0.56 1.06 -0.10 0.00 2.07 -0.52 -1.93 116.25 117.39 1jgn h VAL 73 Ca 0.30 -0.12 -0.19 0.00 0.82 0.00 0.00 66.70 67.51 1jgn h VAL 73 Cb 0.28 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1jgn h VAL 73 CO -0.23 0.06 -0.74 0.00 0.02 0.00 0.00 177.57 176.68 1jgn h ALA 74 N 1.84 0.52 -0.16 1.67 0.00 -0.65 -3.02 119.26 119.45 1jgn h ALA 74 Ca 0.09 -0.60 0.05 0.00 0.00 0.00 0.00 54.91 54.45 1jgn h ALA 74 Cb -0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1jgn h ALA 74 CO -0.02 0.74 0.13 -0.39 0.00 0.00 0.00 179.25 179.71 1jgn h VAL 75 N 0.35 0.80 0.18 0.00 -1.51 -0.18 -1.72 116.25 114.17 1jgn h VAL 75 Ca -0.04 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.43 1jgn h VAL 75 Cb 1.33 0.91 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 1jgn h VAL 75 CO 0.13 0.00 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.32 1jgn h LEU 76 N 0.00 -0.20 -1.34 4.19 -0.00 -1.44 0.59 115.31 117.10 1jgn h LEU 76 Ca 0.08 -0.33 0.21 0.00 -0.00 0.00 0.00 57.88 57.84 1jgn h LEU 76 Cb 0.33 0.05 -0.08 0.00 -0.00 0.00 0.00 40.66 40.96 1jgn h LEU 76 CO -0.00 0.32 0.62 1.56 -0.00 0.00 0.00 178.44 180.94 1jgn h GLN 77 N -0.84 0.50 0.00 1.13 1.08 -1.36 0.48 115.11 116.10 1jgn h GLN 77 Ca -0.02 -0.03 -0.14 0.00 -1.45 0.00 0.00 58.65 57.01 1jgn h GLN 77 Cb 0.52 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 1jgn h GLN 77 CO 0.04 0.33 -0.73 0.00 -0.95 0.00 0.00 178.83 177.52 1jgn h ALA 78 N 1.62 0.61 -0.33 3.87 0.00 -1.34 -3.00 119.26 120.69 1jgn h ALA 78 Ca 0.52 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1jgn h ALA 78 Cb 1.15 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1jgn h ALA 78 CO -0.25 0.80 0.11 1.25 0.00 0.00 0.00 179.25 181.16 1jgn h HIS 79 N 0.00 0.52 0.00 0.00 -0.00 0.23 -1.63 115.15 114.27 1jgn h HIS 79 Ca -0.03 -0.05 0.00 0.00 -0.00 0.00 0.00 60.37 60.29 1jgn h HIS 79 Cb 1.49 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.75 1jgn h HIS 79 CO 0.00 0.51 -0.21 1.04 -0.00 0.00 0.00 177.93 179.27 1jgn n GLN 80 N -4.69 0.16 -0.06 5.26 6.02 -0.66 -3.09 117.38 120.32 1jgn n GLN 80 Ca -0.02 0.10 -0.09 0.00 -0.01 0.00 0.00 57.00 56.98 1jgn n GLN 80 Cb 0.16 -1.65 -0.08 0.00 1.02 0.00 0.00 30.24 29.69 1jgn n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jgn h ALA 81 N 2.72 -0.00 0.00 -1.58 0.00 -1.33 -2.99 119.26 116.08 1jgn h ALA 81 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1jgn h ALA 81 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1jgn h ALA 81 CO 0.00 -0.01 0.00 1.63 0.00 0.00 0.00 179.25 180.87 1jgn n LYS 82 N -4.68 0.26 0.01 0.00 5.02 -0.64 -2.49 118.16 115.63 1jgn n LYS 82 Ca -0.06 0.05 -0.21 0.00 -2.02 0.00 0.00 58.31 56.07 1jgn n LYS 82 Cb 0.30 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.67 1jgn n LYS 82 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1jgn n GLU 83 N -1.35 0.76 0.10 1.97 2.13 -1.18 -4.21 120.64 118.86 1jgn n GLU 83 Ca 0.10 0.27 -0.02 0.00 0.66 0.00 0.00 57.16 58.17 1jgn n GLU 83 Cb 0.23 -1.72 -0.04 0.00 0.27 0.00 0.00 31.44 30.18 1jgn n GLU 83 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jgn h ALA 84 N 0.12 0.53 -0.21 4.31 0.00 -1.51 -3.25 119.26 119.25 1jgn h ALA 84 Ca -0.41 -0.68 -0.11 0.00 0.00 0.00 0.00 54.91 53.71 1jgn h ALA 84 Cb 2.04 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 19.65 1jgn h ALA 84 CO 0.09 0.93 0.14 0.00 0.00 0.00 0.00 179.25 180.41 1jgn n ALA 85 N -2.29 3.23 -0.81 0.00 0.00 -1.04 -3.92 120.51 115.68 1jgn n ALA 85 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1jgn n ALA 85 Cb 0.83 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 19.18 1jgn n ALA 85 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1jgn n GLN 86 N 0.22 0.00 0.04 0.00 6.02 -1.23 -4.65 117.38 117.77 1jgn n GLN 86 Ca 0.12 0.09 0.11 0.00 -0.01 0.00 0.00 57.00 57.32 1jgn n GLN 86 Cb 0.73 -0.57 -0.04 0.00 1.02 0.00 0.00 30.24 31.38 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 -0.84 0.45 -1.51 -1.09 4.81 -1.26 -4.43 118.16 114.30 1jgn n LYS 87 Ca 0.00 -0.02 -0.29 0.00 -0.87 0.00 0.00 58.31 57.13 1jgn n LYS 87 Cb 0.00 -1.63 -0.06 0.00 0.02 0.00 0.00 35.03 33.36 1jgn n LYS 87 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jgn n ALA 88 N -2.01 6.66 -2.82 3.14 0.00 -1.25 -4.90 120.51 119.33 1jgn n ALA 88 Ca -0.00 -3.13 -0.38 0.00 0.00 0.00 0.00 53.44 49.92 1jgn n ALA 88 Cb 0.49 -2.49 -0.12 0.00 0.00 0.00 0.00 19.45 17.34 1jgn n ALA 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jgn s VAL 89 N -0.82 4.76 -0.20 0.00 0.11 -1.26 -4.78 120.40 118.21 1jgn s VAL 89 Ca 0.61 -0.22 0.02 0.00 -2.93 0.00 0.00 61.98 59.46 1jgn s VAL 89 Cb 0.30 -3.35 -0.14 0.00 -1.53 0.00 0.00 36.38 31.66 1jgn s VAL 89 CO -0.13 0.16 -0.16 0.59 -3.33 0.00 0.00 175.10 172.23 1jgn n ASN 90 N 5.00 2.36 -4.80 3.54 4.13 -1.26 -5.00 115.26 119.22 1jgn n ASN 90 Ca -0.14 -0.10 -0.32 0.00 1.68 0.00 0.00 54.58 55.69 1jgn n ASN 90 Cb 0.50 -0.25 0.03 0.00 -1.54 0.00 0.00 39.78 38.52 1jgn n ASN 90 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 1jgn s SER 91 N -5.89 5.57 0.87 6.41 1.04 -1.26 -5.04 113.70 115.40 1jgn s SER 91 Ca -0.26 1.82 -0.12 0.00 0.48 0.00 0.00 55.95 57.87 1jgn s SER 91 Cb 0.07 -2.53 0.12 0.00 0.10 0.00 0.00 66.02 63.77 1jgn s SER 91 CO 0.48 -1.31 1.11 0.00 0.98 0.00 0.00 173.24 174.49 1jgn s ALA 92 N -2.53 1.80 0.68 5.32 0.00 -1.26 -5.07 121.76 120.69 1jgn s ALA 92 Ca 0.63 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1jgn s ALA 92 Cb -0.16 -3.11 0.12 0.00 0.00 0.00 0.00 23.12 19.97 1jgn s ALA 92 CO 0.41 -2.15 0.84 0.25 0.00 0.00 0.00 175.76 175.10 1jgn n THR 93 N -3.72 0.00 -2.66 0.00 -2.24 -1.26 -5.07 114.28 99.33 1jgn n THR 93 Ca 0.07 -1.34 -0.34 0.00 -2.27 0.00 0.00 64.05 60.17 1jgn n THR 93 Cb 0.57 -0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 67.79 1jgn n THR 93 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1jgn s GLY 94 N -4.66 2.50 0.18 3.38 0.00 -1.26 -5.05 107.32 102.41 1jgn s GLY 94 Ca 0.56 0.53 -0.10 0.00 0.00 0.00 0.00 44.72 45.71 1jgn s GLY 94 CO 0.37 0.85 0.51 -1.34 0.00 0.00 0.00 173.10 173.49 1jgn s VAL 95 N -2.01 4.96 -1.53 1.40 -7.23 -1.26 -4.98 120.40 109.74 1jgn s VAL 95 Ca 0.64 0.51 -0.10 0.00 -1.81 0.00 0.00 61.98 61.21 1jgn s VAL 95 Cb -0.14 -3.65 -0.08 0.00 0.56 0.00 0.00 36.38 33.08 1jgn s VAL 95 CO 0.18 0.06 2.81 -0.81 -0.31 0.00 0.00 175.10 177.03 1jgn n PRO 96 N 0.24 3.45 -2.92 4.82 -0.04 -1.26 -4.90 135.00 134.38 1jgn n PRO 96 Ca -0.02 -2.16 -0.43 0.00 -0.04 0.00 0.00 63.50 60.85 1jgn n PRO 96 Cb 0.52 -2.81 -0.05 0.00 -0.04 0.00 0.00 33.50 31.12 1jgn n PRO 96 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1jgn s THR 97 N 2.42 4.55 -1.63 0.52 -4.23 -1.26 -5.38 115.64 110.64 1jgn s THR 97 Ca 0.65 0.29 0.13 0.00 -1.18 0.00 0.00 61.69 61.57 1jgn s THR 97 Cb 0.17 -4.42 0.10 0.00 1.34 0.00 0.00 72.50 69.69 1jgn s THR 97 CO -0.06 -0.90 0.91 0.52 -0.54 0.00 0.00 174.62 174.56