#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgn n PRO 2 N 0.00 1.43 0.01 1.61 -0.02 -1.26 -4.88 135.00 131.88 1jgn n PRO 2 Ca 0.00 0.35 -0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1jgn n PRO 2 Cb 0.00 -2.91 -0.00 0.00 -0.02 0.00 0.00 33.50 30.57 1jgn n PRO 2 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1jgn h LEU 3 N 14.55 -0.02 0.00 2.45 5.85 -2.01 -3.46 115.31 132.67 1jgn h LEU 3 Ca -0.32 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.40 1jgn h LEU 3 Cb 1.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1jgn h LEU 3 CO 1.02 0.02 0.00 0.61 -0.34 0.00 0.00 178.44 179.75 1jgn n GLY 4 N 1.32 0.77 0.14 3.75 0.00 -1.26 -4.91 105.19 105.00 1jgn n GLY 4 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.67 -4.06 1.61 0.87 -2.01 -3.45 113.55 107.18 1jgn h SER 5 Ca 0.00 -0.92 -0.49 0.00 -1.23 0.00 0.00 61.79 59.14 1jgn h SER 5 Cb 0.00 -0.22 0.06 0.00 -0.44 0.00 0.00 62.40 61.80 1jgn h SER 5 CO 0.00 1.69 0.43 -2.84 -0.53 0.00 0.00 176.83 175.58 1jgn s PRO 6 N -2.56 3.60 0.63 2.24 0.02 -1.26 -5.04 135.00 132.63 1jgn s PRO 6 Ca -0.13 1.57 -0.02 0.00 0.02 0.00 0.00 61.00 62.44 1jgn s PRO 6 Cb 0.04 -2.14 0.05 0.00 0.02 0.00 0.00 34.50 32.48 1jgn s PRO 6 CO 0.88 -0.64 0.90 -0.51 -0.33 0.00 0.00 177.00 177.29 1jgn s LEU 7 N -3.50 3.06 -0.01 -5.54 1.43 -1.26 -5.02 118.68 107.83 1jgn s LEU 7 Ca 0.69 0.16 0.11 0.00 -1.03 0.00 0.00 54.13 54.06 1jgn s LEU 7 Cb -0.23 -2.90 -0.23 0.00 0.03 0.00 0.00 46.19 42.86 1jgn s LEU 7 CO 0.27 -1.40 0.77 0.00 0.23 0.00 0.00 176.35 176.22 1jgn h THR 8 N -0.27 1.01 -0.60 5.49 1.03 -1.98 -3.08 112.91 114.51 1jgn h THR 8 Ca -0.43 -2.83 0.02 0.00 -0.01 0.00 0.00 66.41 63.17 1jgn h THR 8 Cb 1.30 2.50 -0.03 0.00 -1.07 0.00 0.00 68.15 70.85 1jgn h THR 8 CO 0.55 0.59 0.40 0.00 -0.01 0.00 0.00 175.52 177.04 1jgn h ALA 9 N 0.97 1.64 -0.08 0.00 0.00 -1.94 0.13 119.26 119.99 1jgn h ALA 9 Ca -0.24 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.47 1jgn h ALA 9 Cb 1.97 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.54 1jgn h ALA 9 CO 0.09 0.30 -0.68 1.03 0.00 0.00 0.00 179.25 179.99 1jgn h SER 10 N 0.74 0.41 -0.35 0.00 0.87 -1.98 -2.92 113.55 110.34 1jgn h SER 10 Ca 0.24 -0.26 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 1jgn h SER 10 Cb 0.03 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1jgn h SER 10 CO -0.06 0.97 0.04 0.24 -0.53 0.00 0.00 176.83 177.50 1jgn h MET 11 N 0.25 0.68 0.02 2.24 2.86 -0.91 -0.38 114.93 119.69 1jgn h MET 11 Ca -0.02 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.50 1jgn h MET 11 Cb 1.23 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.75 1jgn h MET 11 CO 0.11 0.67 -0.33 -0.07 1.06 0.00 0.00 176.91 178.35 1jgn h LEU 12 N 0.65 -1.00 -1.78 1.22 4.07 -0.64 0.52 115.31 118.35 1jgn h LEU 12 Ca 0.14 0.13 -0.03 0.00 0.08 0.00 0.00 57.88 58.20 1jgn h LEU 12 Cb 0.34 0.40 -0.00 0.00 1.08 0.00 0.00 40.66 42.48 1jgn h LEU 12 CO 0.01 -0.40 -0.14 0.00 -1.08 0.00 0.00 178.44 176.83 1jgn h ALA 13 N 0.19 1.24 -0.73 1.53 0.00 -1.47 -2.33 119.26 117.69 1jgn h ALA 13 Ca 0.06 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.59 1jgn h ALA 13 Cb 0.58 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.20 1jgn h ALA 13 CO -0.26 0.17 0.29 0.43 0.00 0.00 0.00 179.25 179.88 1jgn n SER 14 N -3.61 4.55 -3.14 0.00 7.64 0.14 -4.56 113.62 114.65 1jgn n SER 14 Ca -0.01 -3.30 -0.21 0.00 1.01 0.00 0.00 58.87 56.35 1jgn n SER 14 Cb 0.27 -0.74 -0.04 0.00 -1.01 0.00 0.00 64.21 62.69 1jgn n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jgn n ALA 15 N -0.35 2.82 -0.08 -0.43 0.00 0.16 -4.92 120.51 117.71 1jgn n ALA 15 Ca 0.42 -3.79 -0.07 0.00 0.00 0.00 0.00 53.44 50.00 1jgn n ALA 15 Cb 1.39 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 1jgn n ALA 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1jgn h PRO 16 N 3.17 0.01 0.00 0.00 0.11 -1.80 -3.40 132.00 130.09 1jgn h PRO 16 Ca 0.11 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 1jgn h PRO 16 Cb 0.83 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1jgn h PRO 16 CO 0.59 0.00 0.00 -2.30 -0.21 0.00 0.00 178.00 176.08 1jgn n PRO 17 N -5.25 -0.74 -0.95 1.05 -0.02 -1.26 -4.78 135.00 123.06 1jgn n PRO 17 Ca 0.00 0.00 -0.28 0.00 -2.02 0.00 0.00 63.50 61.20 1jgn n PRO 17 Cb 0.17 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.63 1jgn n PRO 17 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1jgn n GLN 18 N -1.25 2.66 -0.17 -0.52 1.13 -1.26 -4.47 117.38 113.49 1jgn n GLN 18 Ca 0.00 -1.73 0.06 0.00 -1.94 0.00 0.00 57.00 53.40 1jgn n GLN 18 Cb 0.00 -2.58 0.18 0.00 0.11 0.00 0.00 30.24 27.95 1jgn n GLN 18 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 1jgn n GLU 19 N 4.01 1.82 -0.06 -1.09 -0.58 -1.26 -4.49 120.64 118.98 1jgn n GLU 19 Ca 0.57 -1.26 -0.08 0.00 -0.42 0.00 0.00 57.16 55.97 1jgn n GLU 19 Cb 0.17 -1.29 -0.05 0.00 -0.57 0.00 0.00 31.44 29.69 1jgn n GLU 19 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 1jgn h GLN 20 N 2.10 -0.23 -0.11 3.49 3.07 -1.83 0.30 115.11 121.90 1jgn h GLN 20 Ca 0.00 0.02 0.03 0.00 0.09 0.00 0.00 58.65 58.79 1jgn h GLN 20 Cb 0.48 0.05 -0.00 0.00 0.08 0.00 0.00 27.48 28.09 1jgn h GLN 20 CO 0.00 -0.15 0.20 1.57 0.09 0.00 0.00 178.83 180.54 1jgn h LYS 21 N -0.24 0.00 0.00 0.06 5.09 -1.76 -0.63 116.57 119.10 1jgn h LYS 21 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.78 1jgn h LYS 21 Cb 0.34 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.67 1jgn h LYS 21 CO -0.31 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 177.99 1jgn n GLN 22 N -3.44 0.00 0.00 0.07 -0.06 0.90 -4.19 117.38 110.66 1jgn n GLN 22 Ca 0.00 0.20 0.00 0.00 -2.00 0.00 0.00 57.00 55.20 1jgn n GLN 22 Cb 0.30 -0.86 0.00 0.00 -4.06 0.00 0.00 30.24 25.61 1jgn n GLN 22 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1jgn n MET 23 N -1.10 0.00 0.00 3.69 0.00 -0.24 -4.19 117.12 115.27 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 -0.09 0.07 0.00 0.00 0.00 0.00 33.22 33.20 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 -4.81 117.00 114.13 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 -0.67 3.24 0.01 1.47 0.00 -0.25 -1.37 105.19 107.62 1jgn n GLY 25 Ca 0.02 0.08 -0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.88 -3.06 114.58 114.30 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 -2.20 0.00 0.00 2.33 3.00 -0.72 -4.92 116.66 114.16 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 -0.29 6.15 4.77 -0.47 -3.30 117.00 123.85 1jgn n LEU 28 Ca 0.00 0.92 0.07 0.00 -0.03 0.00 0.00 56.01 56.97 1jgn n LEU 28 Cb 0.49 -0.42 0.15 0.00 -2.33 0.00 0.00 43.42 41.31 1jgn n LEU 28 CO 0.00 -0.42 0.57 0.33 -1.33 0.00 0.00 177.39 176.54 1jgn n PHE 29 N -1.80 0.36 -0.30 -1.77 -0.00 -1.23 -0.59 117.46 112.14 1jgn n PHE 29 Ca 0.00 0.99 -0.05 0.00 -0.00 0.00 0.00 57.45 58.39 1jgn n PHE 29 Cb 0.00 -1.02 0.07 0.00 -0.00 0.00 0.00 39.48 38.54 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 1.13 -0.15 -7.13 0.11 -1.84 1.34 132.00 125.47 1jgn h PRO 30 Ca 0.42 -0.12 -0.07 0.00 0.11 0.00 0.00 66.00 66.34 1jgn h PRO 30 Cb 0.73 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1jgn h PRO 30 CO -0.82 0.82 -0.17 -0.07 -0.21 0.00 0.00 178.00 177.56 1jgn h LEU 31 N 1.13 0.41 -0.13 2.35 3.38 -0.84 -2.40 115.31 119.21 1jgn h LEU 31 Ca 0.29 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1jgn h LEU 31 Cb 0.01 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1jgn h LEU 31 CO -0.05 0.82 0.00 -0.38 0.09 0.00 0.00 178.44 178.92 1jgn n ILE 32 N -4.53 0.53 -0.25 1.22 5.41 -0.73 -2.62 119.36 118.39 1jgn n ILE 32 Ca -0.06 0.02 -0.04 0.00 1.00 0.00 0.00 62.75 63.68 1jgn n ILE 32 Cb 0.38 -0.75 0.13 0.00 -0.71 0.00 0.00 39.64 38.69 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 1.09 -0.06 0.38 5.75 0.23 1.42 115.11 123.93 1jgn h GLN 33 Ca 0.00 -0.16 -0.10 0.00 -0.15 0.00 0.00 58.65 58.24 1jgn h GLN 33 Cb 0.48 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.82 1jgn h GLN 33 CO 0.00 0.86 -0.42 0.00 -2.65 0.00 0.00 178.83 176.62 1jgn h ALA 34 N 1.30 1.20 -0.88 3.38 0.00 -1.44 -2.24 119.26 120.58 1jgn h ALA 34 Ca 0.26 -0.40 -0.38 0.00 0.00 0.00 0.00 54.91 54.39 1jgn h ALA 34 Cb 0.14 -0.08 -0.23 0.00 0.00 0.00 0.00 17.79 17.62 1jgn h ALA 34 CO -0.03 0.56 0.48 -1.33 0.00 0.00 0.00 179.25 178.93 1jgn n MET 35 N -4.03 2.95 0.09 0.00 2.81 0.24 -4.61 117.12 114.57 1jgn n MET 35 Ca -0.02 -3.06 0.01 0.00 -1.81 0.00 0.00 57.70 52.83 1jgn n MET 35 Cb 0.47 -2.20 0.34 0.00 -0.71 0.00 0.00 33.22 31.12 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 1.79 0.33 -1.68 2.03 -0.00 0.24 -3.14 115.15 114.72 1jgn h HIS 36 Ca 0.46 -0.04 0.49 0.00 -0.00 0.00 0.00 60.37 61.28 1jgn h HIS 36 Cb 2.63 -0.09 -0.07 0.00 -0.00 0.00 0.00 27.41 29.88 1jgn h HIS 36 CO 1.46 0.45 1.20 -2.30 -0.00 0.00 0.00 177.93 178.74 1jgn n PRO 37 N -4.24 -0.00 0.00 5.12 -0.02 -1.26 -2.12 135.00 132.48 1jgn n PRO 37 Ca -0.00 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 1jgn n PRO 37 Cb 0.29 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 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 -3.70 0.00 -2.67 3.45 -1.04 -1.19 -4.98 114.28 104.15 1jgn n THR 38 Ca 0.38 0.05 -0.05 0.00 -2.04 0.00 0.00 64.05 62.40 1jgn n THR 38 Cb 1.72 -0.12 0.03 0.00 -1.82 0.00 0.00 70.33 70.14 1jgn n THR 38 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1jgn n LEU 39 N -0.27 -1.39 -0.36 -4.42 4.77 -0.90 -5.01 117.00 109.42 1jgn n LEU 39 Ca 0.00 -2.36 0.33 0.00 -0.03 0.00 0.00 56.01 53.95 1jgn n LEU 39 Cb 0.00 0.57 0.58 0.00 -2.33 0.00 0.00 43.42 42.23 1jgn n LEU 39 CO 0.00 1.40 1.04 0.00 -1.33 0.00 0.00 177.39 178.50 1jgn n ALA 40 N -0.55 1.09 0.01 -1.18 0.00 -1.24 -0.81 120.51 117.83 1jgn n ALA 40 Ca -0.19 0.87 -0.11 0.00 0.00 0.00 0.00 53.44 54.01 1jgn n ALA 40 Cb 0.72 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 19.17 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 -0.50 1.83 0.00 0.00 -1.91 -2.33 103.07 100.16 1jgn h GLY 41 Ca 0.79 0.42 -0.20 0.00 0.00 0.00 0.00 47.33 48.34 1jgn h GLY 41 CO -0.57 -0.22 -0.93 1.70 0.00 0.00 0.00 176.54 176.51 1jgn h LYS 42 N -0.42 0.15 0.25 4.80 1.63 -1.40 -3.29 116.57 118.27 1jgn h LYS 42 Ca 0.09 -0.18 0.01 0.00 -0.85 0.00 0.00 60.65 59.72 1jgn h LYS 42 Cb 0.57 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.22 1jgn h LYS 42 CO -0.36 0.97 -0.36 0.82 -3.45 0.00 0.00 179.45 177.08 1jgn h ILE 43 N 0.07 0.26 -0.75 2.00 2.04 -1.17 -2.24 117.51 117.72 1jgn h ILE 43 Ca -0.04 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.96 1jgn h ILE 43 Cb 1.59 0.26 -0.10 0.00 -0.74 0.00 0.00 36.82 37.84 1jgn h ILE 43 CO 0.14 0.00 0.29 0.00 0.00 0.00 0.00 178.15 178.58 1jgn h THR 44 N -0.67 0.65 -0.01 -0.27 1.03 -1.54 -2.22 112.91 109.87 1jgn h THR 44 Ca -0.00 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1jgn h THR 44 Cb 0.65 0.19 -0.01 0.00 -1.07 0.00 0.00 68.15 67.90 1jgn h THR 44 CO -0.13 0.08 -0.06 1.23 -0.01 0.00 0.00 175.52 176.62 1jgn h GLY 45 N 0.43 -1.51 0.54 2.99 0.00 -1.48 0.61 103.07 104.66 1jgn h GLY 45 Ca 0.41 0.67 0.06 0.00 0.00 0.00 0.00 47.33 48.48 1jgn h GLY 45 CO -0.41 -0.55 0.17 0.00 0.00 0.00 0.00 176.54 175.75 1jgn h MET 46 N -0.07 0.33 -0.01 4.80 -0.00 -1.35 -0.10 114.93 118.53 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 0.08 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 1jgn h MET 46 CO -0.05 0.22 0.00 1.28 -0.00 0.00 0.00 176.91 178.36 1jgn n LEU 47 N -5.01 0.06 0.12 -0.10 7.99 -0.85 -3.69 117.00 115.52 1jgn n LEU 47 Ca 0.05 -0.03 0.10 0.00 -0.01 0.00 0.00 56.01 56.12 1jgn n LEU 47 Cb 0.19 -0.01 0.47 0.00 -0.11 0.00 0.00 43.42 43.97 1jgn n LEU 47 CO 0.25 0.01 0.81 -0.11 -1.51 0.00 0.00 177.39 176.84 1jgn n LEU 48 N -0.57 0.53 -0.46 2.23 -0.00 0.21 -1.93 117.00 117.02 1jgn n LEU 48 Ca 0.05 0.67 0.00 0.00 -0.00 0.00 0.00 56.01 56.73 1jgn n LEU 48 Cb 0.03 -0.65 0.00 0.00 -0.00 0.00 0.00 43.42 42.80 1jgn n LEU 48 CO 0.04 -0.66 0.25 -0.62 -0.00 0.00 0.00 177.39 176.40 1jgn n GLU 49 N -2.13 0.93 -2.16 1.96 1.02 -1.24 -4.83 120.64 114.19 1jgn n GLU 49 Ca 0.01 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.86 1jgn n GLU 49 Cb 0.14 -1.43 0.03 0.00 -0.02 0.00 0.00 31.44 30.17 1jgn n GLU 49 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1jgn s ILE 50 N -1.08 3.75 0.67 -3.67 2.07 -0.81 -5.05 121.20 117.07 1jgn s ILE 50 Ca 0.00 0.28 -0.14 0.00 -1.41 0.00 0.00 60.65 59.39 1jgn s ILE 50 Cb 0.00 -3.52 0.00 0.00 0.13 0.00 0.00 42.46 39.07 1jgn s ILE 50 CO 0.00 -0.61 1.09 -1.81 -1.91 0.00 0.00 174.94 171.70 1jgn s ASP 51 N -4.30 5.17 0.05 4.50 1.11 -1.26 -4.97 116.67 116.96 1jgn s ASP 51 Ca 0.55 1.89 0.13 0.00 0.18 0.00 0.00 52.55 55.30 1jgn s ASP 51 Cb -0.11 -2.54 -0.17 0.00 1.07 0.00 0.00 42.92 41.18 1jgn s ASP 51 CO 0.49 -1.59 0.91 0.78 1.18 0.00 0.00 175.17 176.94 1jgn h ASN 52 N -0.17 0.00 0.63 0.27 4.21 -1.97 -2.78 115.58 115.76 1jgn h ASN 52 Ca -0.46 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 56.89 1jgn h ASN 52 Cb 1.23 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.42 1jgn h ASN 52 CO 0.55 0.82 -0.72 0.28 -1.29 0.00 0.00 177.43 177.06 1jgn h SER 53 N 0.00 0.09 0.68 5.81 0.02 -2.01 -3.04 113.55 115.10 1jgn h SER 53 Ca -0.17 -0.06 -0.17 0.00 -0.84 0.00 0.00 61.79 60.55 1jgn h SER 53 Cb 1.77 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 64.27 1jgn h SER 53 CO 0.08 0.78 -0.80 1.05 -1.14 0.00 0.00 176.83 176.80 1jgn h GLU 54 N 0.05 0.09 -0.43 3.45 -0.00 -1.96 -3.19 114.58 112.59 1jgn h GLU 54 Ca -0.01 -0.09 0.01 0.00 -0.00 0.00 0.00 59.36 59.27 1jgn h GLU 54 Cb 1.28 0.02 -0.03 0.00 -0.00 0.00 0.00 28.75 30.02 1jgn h GLU 54 CO 0.10 0.83 0.26 1.37 -0.00 0.00 0.00 179.01 181.58 1jgn h LEU 55 N 0.05 0.43 -0.61 3.06 8.10 -1.38 -0.03 115.31 124.94 1jgn h LEU 55 Ca -0.02 -0.00 0.03 0.00 0.11 0.00 0.00 57.88 57.99 1jgn h LEU 55 Cb 1.40 -0.09 -0.04 0.00 -0.44 0.00 0.00 40.66 41.48 1jgn h LEU 55 CO 0.11 0.31 0.38 0.25 -4.11 0.00 0.00 178.44 175.38 1jgn h LEU 56 N 0.53 0.62 -0.79 0.17 5.85 -1.56 -1.67 115.31 118.46 1jgn h LEU 56 Ca 0.17 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 1jgn h LEU 56 Cb -0.01 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 1jgn h LEU 56 CO -0.06 0.43 0.08 0.45 -0.34 0.00 0.00 178.44 178.99 1jgn h HIS 57 N 0.74 1.05 -0.78 1.25 3.86 -1.43 -2.44 115.15 117.40 1jgn h HIS 57 Ca 0.24 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1jgn h HIS 57 Cb 0.01 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.15 1jgn h HIS 57 CO -0.05 0.90 0.48 0.52 0.86 0.00 0.00 177.93 180.64 1jgn h MET 58 N 0.93 1.05 0.00 2.45 2.86 -0.41 0.58 114.93 122.38 1jgn h MET 58 Ca 0.18 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1jgn h MET 58 Cb 0.43 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 1jgn h MET 58 CO 0.01 0.73 -0.01 1.25 1.06 0.00 0.00 176.91 179.95 1jgn h LEU 59 N 1.07 0.00 -1.38 1.22 6.46 -0.88 -2.61 115.31 119.20 1jgn h LEU 59 Ca 0.28 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.04 1jgn h LEU 59 Cb -0.06 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.87 1jgn h LEU 59 CO -0.05 0.01 -0.10 -1.84 -0.62 0.00 0.00 178.44 175.84 1jgn n GLU 60 N -3.11 1.36 -3.78 1.25 0.28 0.01 -4.75 120.64 111.91 1jgn n GLU 60 Ca 0.00 -1.23 -0.28 0.00 -0.16 0.00 0.00 57.16 55.50 1jgn n GLU 60 Cb 0.30 -1.28 -0.11 0.00 1.43 0.00 0.00 31.44 31.77 1jgn n GLU 60 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1jgn n SER 61 N 0.56 2.61 -0.08 -1.84 7.64 0.18 -4.93 113.62 117.75 1jgn n SER 61 Ca 0.08 -3.12 0.14 0.00 1.01 0.00 0.00 58.87 56.98 1jgn n SER 61 Cb 0.37 -0.72 0.53 0.00 -1.01 0.00 0.00 64.21 63.38 1jgn n SER 61 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1jgn h PRO 62 N 5.27 0.33 0.00 1.43 0.11 -1.86 0.31 132.00 137.60 1jgn h PRO 62 Ca 0.17 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 1jgn h PRO 62 Cb 0.76 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 31.80 1jgn h PRO 62 CO 0.68 0.22 -0.00 0.93 -0.21 0.00 0.00 178.00 179.62 1jgn h GLU 63 N 0.34 -0.00 0.07 1.05 5.08 -1.92 -3.05 114.58 116.14 1jgn h GLU 63 Ca 0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 1jgn h GLU 63 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 1jgn h GLU 63 CO -0.07 0.87 -0.03 0.77 -1.00 0.00 0.00 179.01 179.55 1jgn h SER 64 N -0.92 -0.08 0.74 1.42 0.02 -1.87 -2.98 113.55 109.88 1jgn h SER 64 Ca -0.00 -0.45 -0.03 0.00 -0.84 0.00 0.00 61.79 60.47 1jgn h SER 64 Cb 0.88 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 1jgn h SER 64 CO 0.00 0.43 -0.47 0.25 -1.14 0.00 0.00 176.83 175.90 1jgn h LEU 65 N -0.61 -1.19 -1.95 5.07 7.12 -0.59 -1.27 115.31 121.88 1jgn h LEU 65 Ca -0.01 0.07 0.21 0.00 0.13 0.00 0.00 57.88 58.28 1jgn h LEU 65 Cb 0.52 0.35 -0.03 0.00 -0.53 0.00 0.00 40.66 40.97 1jgn h LEU 65 CO 0.01 -0.72 0.54 -0.09 -0.13 0.00 0.00 178.44 178.06 1jgn h ARG 66 N -1.14 0.04 -0.34 1.25 2.43 -1.67 0.57 114.38 115.52 1jgn h ARG 66 Ca -0.10 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.93 1jgn h ARG 66 Cb 0.92 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 1jgn h ARG 66 CO 0.09 0.03 -0.37 1.03 -1.51 0.00 0.00 179.97 179.23 1jgn h SER 67 N 0.04 0.85 0.66 -3.80 0.87 -1.24 0.75 113.55 111.68 1jgn h SER 67 Ca 0.36 -0.38 -0.03 0.00 -1.23 0.00 0.00 61.79 60.52 1jgn h SER 67 Cb 1.40 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1jgn h SER 67 CO -0.02 1.12 -0.32 0.11 -0.53 0.00 0.00 176.83 177.20 1jgn h LYS 68 N 0.66 -0.85 0.00 2.24 1.57 0.12 -2.88 116.57 117.43 1jgn h LYS 68 Ca 0.06 0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 1jgn h LYS 68 Cb 0.93 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.43 1jgn h LYS 68 CO 0.09 -0.54 -0.01 0.28 -0.57 0.00 0.00 179.45 178.69 1jgn h VAL 69 N -1.17 0.16 -0.30 0.50 2.07 -1.16 -1.58 116.25 114.77 1jgn h VAL 69 Ca -0.09 -0.12 0.06 0.00 0.82 0.00 0.00 66.70 67.37 1jgn h VAL 69 Cb 0.71 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1jgn h VAL 69 CO 0.15 0.01 -0.03 -0.78 0.02 0.00 0.00 177.57 176.95 1jgn h ASP 70 N 0.00 -0.18 0.40 0.57 3.58 -0.62 0.23 116.42 120.41 1jgn h ASP 70 Ca -0.00 0.08 -0.10 0.00 0.42 0.00 0.00 57.03 57.43 1jgn h ASP 70 Cb 0.10 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.28 1jgn h ASP 70 CO 0.00 -0.05 -0.43 -0.08 -2.88 0.00 0.00 179.24 175.79 1jgn h GLU 71 N 0.06 0.05 -0.96 0.28 4.57 -1.27 -2.58 114.58 114.73 1jgn h GLU 71 Ca 0.15 -0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.36 1jgn h GLU 71 Cb 0.21 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.73 1jgn h GLU 71 CO -0.27 0.48 0.62 0.00 -1.18 0.00 0.00 179.01 178.66 1jgn h ALA 72 N 1.52 1.31 -0.10 2.92 0.00 -0.39 0.26 119.26 124.78 1jgn h ALA 72 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1jgn h ALA 72 Cb 0.79 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1jgn h ALA 72 CO 0.06 0.43 -0.05 0.28 0.00 0.00 0.00 179.25 179.97 1jgn h VAL 73 N 1.14 1.10 -0.12 0.00 2.07 -0.26 -2.20 116.25 117.98 1jgn h VAL 73 Ca 0.40 -0.42 -0.20 0.00 0.82 0.00 0.00 66.70 67.31 1jgn h VAL 73 Cb 0.11 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1jgn h VAL 73 CO -0.16 0.13 -0.74 0.00 0.02 0.00 0.00 177.57 176.83 1jgn h ALA 74 N 1.82 0.48 -0.11 1.67 0.00 -0.48 -3.00 119.26 119.65 1jgn h ALA 74 Ca 0.03 -0.60 0.03 0.00 0.00 0.00 0.00 54.91 54.37 1jgn h ALA 74 Cb 0.18 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1jgn h ALA 74 CO 0.01 0.73 0.09 -0.39 0.00 0.00 0.00 179.25 179.68 1jgn h VAL 75 N 0.40 0.76 0.16 0.00 -1.51 -0.39 -2.09 116.25 113.59 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 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 1jgn h VAL 75 CO 0.14 0.00 -0.08 -0.07 -1.23 0.00 0.00 177.57 176.33 1jgn h LEU 76 N 0.00 -0.19 -1.46 4.19 -0.00 -1.43 0.51 115.31 116.93 1jgn h LEU 76 Ca 0.05 -0.35 0.22 0.00 -0.00 0.00 0.00 57.88 57.80 1jgn h LEU 76 Cb 0.22 0.05 -0.07 0.00 -0.00 0.00 0.00 40.66 40.86 1jgn h LEU 76 CO -0.00 0.33 0.62 1.56 -0.00 0.00 0.00 178.44 180.95 1jgn h GLN 77 N -0.79 0.40 0.00 1.13 1.08 -1.36 0.52 115.11 116.09 1jgn h GLN 77 Ca -0.02 -0.02 -0.15 0.00 -1.45 0.00 0.00 58.65 57.00 1jgn h GLN 77 Cb 0.53 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 1jgn h GLN 77 CO 0.04 0.27 -0.82 0.00 -0.95 0.00 0.00 178.83 177.37 1jgn h ALA 78 N 1.61 0.57 0.03 3.87 0.00 -1.36 -3.23 119.26 120.74 1jgn h ALA 78 Ca 0.51 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1jgn h ALA 78 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1jgn h ALA 78 CO -0.21 0.90 -0.02 1.25 0.00 0.00 0.00 179.25 181.18 1jgn h HIS 79 N 0.00 -0.04 0.00 0.00 -0.00 0.23 -2.55 115.15 112.79 1jgn h HIS 79 Ca -0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1jgn h HIS 79 Cb 1.56 0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.98 1jgn h HIS 79 CO 0.00 0.20 0.00 1.04 -0.00 0.00 0.00 177.93 179.17 1jgn n GLN 80 N -5.00 0.85 0.04 5.26 6.02 -0.59 -2.99 117.38 120.97 1jgn n GLN 80 Ca -0.08 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.89 1jgn n GLN 80 Cb 0.14 -1.45 -0.01 0.00 1.02 0.00 0.00 30.24 29.94 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 3.61 -0.27 -0.00 -1.58 0.00 -1.47 -2.71 119.26 116.84 1jgn h ALA 81 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jgn h ALA 81 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1jgn h ALA 81 CO 0.00 -0.26 -0.00 1.63 0.00 0.00 0.00 179.25 180.62 1jgn n LYS 82 N -3.45 0.54 -0.00 0.00 4.76 -1.23 -3.52 118.16 115.26 1jgn n LYS 82 Ca -0.02 -0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.20 1jgn n LYS 82 Cb 0.06 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.61 1jgn n LYS 82 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1jgn h GLU 83 N 0.01 0.24 -0.01 1.97 4.81 -1.65 -3.31 114.58 116.63 1jgn h GLU 83 Ca 0.00 -0.41 -0.06 0.00 -0.13 0.00 0.00 59.36 58.76 1jgn h GLU 83 Cb 0.23 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1jgn h GLU 83 CO 0.00 1.20 -0.26 0.00 -0.73 0.00 0.00 179.01 179.22 1jgn h ALA 84 N -0.03 1.55 -0.43 2.92 0.00 -1.52 -2.81 119.26 118.95 1jgn h ALA 84 Ca -0.38 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 1jgn h ALA 84 Cb 1.89 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 1jgn h ALA 84 CO 0.05 0.34 -0.11 0.00 0.00 0.00 0.00 179.25 179.53 1jgn h ALA 85 N 1.72 0.59 -2.13 0.00 0.00 -1.71 -3.45 119.26 114.28 1jgn h ALA 85 Ca 0.00 -0.33 -0.46 0.00 0.00 0.00 0.00 54.91 54.12 1jgn h ALA 85 Cb 0.47 -0.15 0.12 0.00 0.00 0.00 0.00 17.79 18.23 1jgn h ALA 85 CO 0.03 0.48 0.34 -0.65 0.00 0.00 0.00 179.25 179.45 1jgn s GLN 86 N -4.78 1.41 0.66 0.00 -1.52 -1.06 -5.06 119.66 109.31 1jgn s GLN 86 Ca -0.12 -0.35 -0.11 0.00 -1.95 0.00 0.00 55.36 52.83 1jgn s GLN 86 Cb 0.11 -2.00 -0.01 0.00 -0.22 0.00 0.00 33.01 30.88 1jgn s GLN 86 CO 0.83 -1.85 1.05 0.21 -0.25 0.00 0.00 175.29 175.28 1jgn s LYS 87 N -5.59 3.22 -1.33 2.91 2.20 -1.26 -4.94 119.74 114.95 1jgn s LYS 87 Ca 0.67 0.83 -0.17 0.00 -0.36 0.00 0.00 55.97 56.94 1jgn s LYS 87 Cb -0.07 -2.03 0.04 0.00 -1.51 0.00 0.00 37.83 34.25 1jgn s LYS 87 CO 0.49 -0.86 1.97 0.00 -0.36 0.00 0.00 175.35 176.59 1jgn n ALA 88 N -2.96 4.29 -2.69 3.13 0.00 -1.26 -4.92 120.51 116.10 1jgn n ALA 88 Ca 0.07 -3.79 -0.43 0.00 0.00 0.00 0.00 53.44 49.28 1jgn n ALA 88 Cb 0.54 -3.57 -0.06 0.00 0.00 0.00 0.00 19.45 16.36 1jgn n ALA 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1jgn s VAL 89 N 4.19 4.70 0.64 0.00 -7.23 -1.26 -5.04 120.40 116.39 1jgn s VAL 89 Ca 0.52 -0.14 0.01 0.00 -1.81 0.00 0.00 61.98 60.56 1jgn s VAL 89 Cb 0.09 -4.37 0.09 0.00 0.56 0.00 0.00 36.38 32.74 1jgn s VAL 89 CO 0.01 -0.89 0.89 0.54 -0.31 0.00 0.00 175.10 175.34 1jgn s ASN 90 N 2.66 4.78 -0.38 4.85 4.22 -1.26 -5.05 114.94 124.76 1jgn s ASN 90 Ca 0.21 -0.25 -0.22 0.00 -2.14 0.00 0.00 52.86 50.46 1jgn s ASN 90 Cb -0.16 -0.34 0.01 0.00 1.28 0.00 0.00 41.25 42.03 1jgn s ASN 90 CO 0.15 -1.53 0.73 -0.44 -2.04 0.00 0.00 177.10 173.97 1jgn s SER 91 N -4.60 6.49 -1.38 3.54 0.01 -1.26 -4.96 113.70 111.53 1jgn s SER 91 Ca 0.62 0.20 -0.09 0.00 1.31 0.00 0.00 55.95 58.00 1jgn s SER 91 Cb -0.07 -2.37 0.09 0.00 0.21 0.00 0.00 66.02 63.88 1jgn s SER 91 CO 0.42 -0.72 2.27 0.00 0.41 0.00 0.00 173.24 175.62 1jgn n ALA 92 N 6.34 6.22 -0.50 1.44 0.00 -1.26 -4.54 120.51 128.21 1jgn n ALA 92 Ca 0.01 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.41 1jgn n ALA 92 Cb 0.48 -3.07 0.00 0.00 0.00 0.00 0.00 19.45 16.86 1jgn n ALA 92 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jgn n THR 93 N 3.14 0.00 -3.55 0.00 -2.24 -1.26 -4.97 114.28 105.39 1jgn n THR 93 Ca 0.55 0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 62.04 1jgn n THR 93 Cb 0.31 -0.98 -0.09 0.00 -2.10 0.00 0.00 70.33 67.47 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 -2.26 2.01 -0.67 3.38 0.00 -1.26 -5.03 107.32 103.49 1jgn s GLY 94 Ca 0.00 -2.35 -0.07 0.00 0.00 0.00 0.00 44.72 42.30 1jgn s GLY 94 CO 0.00 1.05 0.53 0.14 0.00 0.00 0.00 173.10 174.82 1jgn s VAL 95 N 1.42 4.36 -1.58 1.40 1.01 -1.26 -4.90 120.40 120.84 1jgn s VAL 95 Ca 0.04 -2.66 0.24 0.00 0.00 0.00 0.00 61.98 59.61 1jgn s VAL 95 Cb -0.25 -3.79 0.50 0.00 0.00 0.00 0.00 36.38 32.84 1jgn s VAL 95 CO 0.01 -0.91 1.82 -0.81 0.00 0.00 0.00 175.10 175.21 1jgn n PRO 96 N 3.82 0.46 0.00 2.72 -0.04 -1.26 -4.04 135.00 136.66 1jgn n PRO 96 Ca 0.08 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1jgn n PRO 96 Cb 0.41 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1jgn n PRO 96 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1jgn n THR 97 N -1.21 0.00 0.32 0.52 -2.24 -1.26 -5.35 114.28 105.07 1jgn n THR 97 Ca 0.13 0.34 0.04 0.00 -2.27 0.00 0.00 64.05 62.29 1jgn n THR 97 Cb 0.16 -1.03 0.03 0.00 -2.10 0.00 0.00 70.33 67.39 1jgn n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02