#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 2.33 -1.96 1.61 -0.02 -1.26 -5.00 135.00 130.70 1jgn n PRO 2 Ca 0.00 0.82 -0.30 0.00 -2.02 0.00 0.00 63.50 62.00 1jgn n PRO 2 Cb 0.00 -2.49 0.20 0.00 -0.02 0.00 0.00 33.50 31.19 1jgn n PRO 2 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jgn s LEU 3 N -0.87 2.76 -1.29 2.45 1.02 -1.26 -4.96 118.68 116.54 1jgn s LEU 3 Ca 0.59 0.17 -0.10 0.00 0.02 0.00 0.00 54.13 54.81 1jgn s LEU 3 Cb -0.55 -2.15 0.16 0.00 0.02 0.00 0.00 46.19 43.67 1jgn s LEU 3 CO 0.57 -2.83 1.87 0.61 0.02 0.00 0.00 176.35 176.59 1jgn n GLY 4 N -3.81 4.67 0.11 -3.19 0.00 -1.26 -4.65 105.19 97.06 1jgn n GLY 4 Ca 0.16 -2.07 -0.23 0.00 0.00 0.00 0.00 46.02 43.89 1jgn n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1jgn n SER 5 N 4.08 1.89 -4.71 1.61 2.88 -1.26 -4.92 113.62 113.19 1jgn n SER 5 Ca 0.40 0.41 -0.42 0.00 -1.33 0.00 0.00 58.87 57.93 1jgn n SER 5 Cb 0.37 -0.91 -0.03 0.00 -0.75 0.00 0.00 64.21 62.89 1jgn n SER 5 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1jgn s PRO 6 N -2.41 4.20 -0.10 -1.46 0.04 -1.26 -4.94 135.00 129.06 1jgn s PRO 6 Ca -0.31 2.38 -0.11 0.00 0.04 0.00 0.00 61.00 63.01 1jgn s PRO 6 Cb 0.08 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 1jgn s PRO 6 CO 0.53 -0.66 -0.21 1.47 0.04 0.00 0.00 177.00 178.17 1jgn n LEU 7 N 4.51 1.18 0.01 -3.56 -0.00 -1.26 -4.34 117.00 113.54 1jgn n LEU 7 Ca 0.15 0.20 -0.13 0.00 -0.00 0.00 0.00 56.01 56.23 1jgn n LEU 7 Cb 0.39 -0.63 -0.14 0.00 -0.00 0.00 0.00 43.42 43.04 1jgn n LEU 7 CO 0.62 -0.37 -0.48 0.00 -0.00 0.00 0.00 177.39 177.17 1jgn h THR 8 N -0.59 0.95 -0.59 1.47 1.03 -1.95 -3.07 112.91 110.15 1jgn h THR 8 Ca 0.00 -2.72 0.02 0.00 -0.01 0.00 0.00 66.41 63.70 1jgn h THR 8 Cb 0.59 2.55 -0.03 0.00 -1.07 0.00 0.00 68.15 70.20 1jgn h THR 8 CO 0.00 0.69 0.39 0.00 -0.01 0.00 0.00 175.52 176.59 1jgn h ALA 9 N 0.70 1.63 -0.14 0.00 0.00 -1.93 0.88 119.26 120.40 1jgn h ALA 9 Ca -0.28 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 1jgn h ALA 9 Cb 2.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1jgn h ALA 9 CO 0.10 0.32 -0.55 1.03 0.00 0.00 0.00 179.25 180.15 1jgn h SER 10 N 0.75 0.46 -0.38 0.00 0.87 -1.76 -2.81 113.55 110.68 1jgn h SER 10 Ca 0.23 -0.25 -0.06 0.00 -1.23 0.00 0.00 61.79 60.48 1jgn h SER 10 Cb -0.00 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 1jgn h SER 10 CO -0.06 0.92 0.05 0.24 -0.53 0.00 0.00 176.83 177.46 1jgn h MET 11 N 0.32 0.73 -0.16 2.24 2.86 -0.88 -1.18 114.93 118.87 1jgn h MET 11 Ca 0.00 -0.16 0.05 0.00 -2.06 0.00 0.00 59.70 57.53 1jgn h MET 11 Cb 1.07 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 32.57 1jgn h MET 11 CO 0.10 0.71 -0.25 -0.07 1.06 0.00 0.00 176.91 178.45 1jgn h LEU 12 N 0.70 -0.77 -1.58 1.22 4.07 -0.66 0.62 115.31 118.91 1jgn h LEU 12 Ca 0.15 0.13 -0.05 0.00 0.08 0.00 0.00 57.88 58.19 1jgn h LEU 12 Cb 0.35 0.35 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 1jgn h LEU 12 CO 0.01 -0.29 -0.22 0.00 -1.08 0.00 0.00 178.44 176.86 1jgn h ALA 13 N 0.66 1.32 -0.65 1.53 0.00 -1.46 -2.59 119.26 118.06 1jgn h ALA 13 Ca 0.11 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1jgn h ALA 13 Cb 0.46 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1jgn h ALA 13 CO -0.33 0.27 0.16 0.45 0.00 0.00 0.00 179.25 179.81 1jgn n SER 14 N -3.81 5.00 -3.12 0.00 2.88 0.27 -4.54 113.62 110.31 1jgn n SER 14 Ca -0.02 -3.14 -0.21 0.00 -1.33 0.00 0.00 58.87 54.17 1jgn n SER 14 Cb 0.32 -0.71 -0.03 0.00 -0.75 0.00 0.00 64.21 63.03 1jgn n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jgn n ALA 15 N 0.02 2.78 0.05 -1.46 0.00 0.19 -4.94 120.51 117.16 1jgn n ALA 15 Ca 0.36 -3.78 -0.11 0.00 0.00 0.00 0.00 53.44 49.91 1jgn n ALA 15 Cb 1.30 -0.87 -0.05 0.00 0.00 0.00 0.00 19.45 19.82 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 2.99 -0.15 0.00 0.00 0.11 -1.80 -3.40 132.00 129.76 1jgn h PRO 16 Ca 0.11 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1jgn h PRO 16 Cb 0.84 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1jgn h PRO 16 CO 0.59 -0.10 0.00 -0.35 -0.21 0.00 0.00 178.00 177.94 1jgn n PRO 17 N -5.21 1.12 -1.28 1.05 -0.04 -1.26 -4.78 135.00 124.60 1jgn n PRO 17 Ca -0.06 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.00 1jgn n PRO 17 Cb 0.13 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.56 1jgn n PRO 17 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1jgn n GLN 18 N 0.00 2.02 -0.54 0.54 6.02 -1.26 -4.48 117.38 119.69 1jgn n GLN 18 Ca 0.00 -2.03 0.08 0.00 -0.01 0.00 0.00 57.00 55.04 1jgn n GLN 18 Cb 0.00 -2.97 0.31 0.00 1.02 0.00 0.00 30.24 28.60 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 6.33 3.56 0.14 -1.09 4.07 -1.26 -4.67 120.64 127.72 1jgn n GLU 19 Ca 0.51 -2.78 -0.12 0.00 -0.06 0.00 0.00 57.16 54.71 1jgn n GLU 19 Cb 0.37 -1.83 -0.07 0.00 -0.06 0.00 0.00 31.44 29.85 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 3.25 -0.58 -0.05 5.31 -0.00 -1.83 -0.80 115.11 120.41 1jgn h GLN 20 Ca 0.00 0.04 0.01 0.00 -0.00 0.00 0.00 58.65 58.70 1jgn h GLN 20 Cb 1.40 0.13 -0.00 0.00 -0.00 0.00 0.00 27.48 29.01 1jgn h GLN 20 CO 0.22 -0.39 0.20 1.57 -0.00 0.00 0.00 178.83 180.44 1jgn h LYS 21 N -0.61 0.00 0.00 0.06 5.09 -1.81 -1.09 116.57 118.21 1jgn h LYS 21 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.72 1jgn h LYS 21 Cb 0.56 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.89 1jgn h LYS 21 CO -0.12 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 178.18 1jgn n GLN 22 N -3.17 0.00 0.00 0.07 -0.06 -0.39 -4.38 117.38 109.45 1jgn n GLN 22 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 1jgn n GLN 22 Cb 0.28 -0.61 0.00 0.00 -4.06 0.00 0.00 30.24 25.85 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 -0.45 0.00 0.00 3.69 0.00 -0.67 -4.21 117.12 115.49 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 -0.07 0.00 0.00 0.00 0.00 0.00 33.22 33.15 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 -1.24 -4.80 117.00 114.12 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 -0.89 3.25 0.03 1.47 0.00 -0.42 -1.29 105.19 107.35 1jgn n GLY 25 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.82 -3.11 114.58 114.27 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 -2.59 0.00 0.00 2.33 3.00 -0.75 -4.91 116.66 113.73 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 0.02 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.48 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 -0.41 -3.42 117.00 123.80 1jgn n LEU 28 Ca 0.00 0.84 0.07 0.00 -0.03 0.00 0.00 56.01 56.89 1jgn n LEU 28 Cb 0.43 -0.34 0.14 0.00 -2.33 0.00 0.00 43.42 41.32 1jgn n LEU 28 CO 0.00 -0.34 0.57 0.33 -1.33 0.00 0.00 177.39 176.62 1jgn n PHE 29 N -1.53 0.35 -0.29 -1.77 -0.00 -1.21 -0.62 117.46 112.39 1jgn n PHE 29 Ca 0.00 1.00 -0.03 0.00 -0.00 0.00 0.00 57.45 58.42 1jgn n PHE 29 Cb 0.00 -1.01 0.12 0.00 -0.00 0.00 0.00 39.48 38.59 1jgn n PHE 29 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1jgn h PRO 30 N 0.00 1.18 -0.09 -7.13 0.13 -1.82 0.92 132.00 125.18 1jgn h PRO 30 Ca 0.42 -0.15 -0.06 0.00 -0.87 0.00 0.00 66.00 65.35 1jgn h PRO 30 Cb 0.70 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 31.60 1jgn h PRO 30 CO -0.83 0.87 -0.16 -0.07 -0.23 0.00 0.00 178.00 177.58 1jgn h LEU 31 N 1.18 0.30 -0.89 1.56 3.38 -0.88 -2.70 115.31 117.26 1jgn h LEU 31 Ca 0.29 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1jgn h LEU 31 Cb 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1jgn h LEU 31 CO -0.04 0.79 0.00 0.40 0.09 0.00 0.00 178.44 179.68 1jgn h ILE 32 N -0.18 0.00 -0.16 1.22 2.04 -1.28 -1.99 117.51 117.17 1jgn h ILE 32 Ca 0.01 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 1jgn h ILE 32 Cb 0.74 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1jgn h ILE 32 CO 0.04 0.00 -0.07 -0.61 0.00 0.00 0.00 178.15 177.50 1jgn h GLN 33 N 0.00 0.24 0.00 2.37 -0.00 0.12 1.54 115.11 119.38 1jgn h GLN 33 Ca 0.00 -0.04 -0.11 0.00 -0.00 0.00 0.00 58.65 58.50 1jgn h GLN 33 Cb 0.54 -0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.97 1jgn h GLN 33 CO 0.00 0.33 -0.51 0.00 0.00 0.00 0.00 178.83 178.64 1jgn h ALA 34 N 1.70 0.93 -0.63 3.38 0.00 -1.19 -2.37 119.26 121.07 1jgn h ALA 34 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1jgn h ALA 34 Cb 0.28 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jgn h ALA 34 CO 0.01 0.64 0.00 -1.33 0.00 0.00 0.00 179.25 178.58 1jgn n MET 35 N -3.60 4.24 -0.02 0.00 2.81 0.57 -4.48 117.12 116.63 1jgn n MET 35 Ca -0.00 -3.02 -0.00 0.00 -1.81 0.00 0.00 57.70 52.87 1jgn n MET 35 Cb 0.59 -2.06 0.29 0.00 -0.71 0.00 0.00 33.22 31.34 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 4.13 0.59 -1.98 2.03 -0.00 0.26 -2.64 115.15 117.53 1jgn h HIS 36 Ca 0.00 -0.05 0.58 0.00 -0.00 0.00 0.00 60.37 60.90 1jgn h HIS 36 Cb 1.68 -0.17 -0.08 0.00 -0.00 0.00 0.00 27.41 28.84 1jgn h HIS 36 CO 0.91 0.54 1.43 -0.35 -0.00 0.00 0.00 177.93 180.46 1jgn n PRO 37 N -4.30 -0.00 0.00 5.12 -0.04 -1.26 -1.72 135.00 132.79 1jgn n PRO 37 Ca 0.02 1.08 0.00 0.00 -0.04 0.00 0.00 63.50 64.57 1jgn n PRO 37 Cb 0.22 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 1jgn n PRO 37 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1jgn n THR 38 N -3.92 0.00 -2.68 0.52 -1.04 -1.00 -5.00 114.28 101.16 1jgn n THR 38 Ca 0.45 0.07 -0.05 0.00 -2.04 0.00 0.00 64.05 62.48 1jgn n THR 38 Cb 2.02 -0.16 0.09 0.00 -1.82 0.00 0.00 70.33 70.47 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 -0.28 -1.60 0.00 -4.42 7.94 -0.70 -5.16 117.00 112.77 1jgn n LEU 39 Ca 0.00 -2.31 -0.19 0.00 -1.11 0.00 0.00 56.01 52.40 1jgn n LEU 39 Cb 0.00 0.86 0.18 0.00 0.53 0.00 0.00 43.42 44.99 1jgn n LEU 39 CO 0.00 1.72 0.23 0.00 -1.11 0.00 0.00 177.39 178.23 1jgn n ALA 40 N 0.83 -3.07 0.00 1.96 0.00 -1.24 -4.39 120.51 114.59 1jgn n ALA 40 Ca -0.00 -0.95 0.00 0.00 0.00 0.00 0.00 53.44 52.49 1jgn n ALA 40 Cb 0.72 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.09 1jgn n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgn n GLY 41 N -3.34 1.97 0.13 0.00 0.00 -1.26 -4.65 105.19 98.05 1jgn n GLY 41 Ca 0.09 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 1jgn n GLY 41 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jgn h LYS 42 N 0.00 0.33 -0.08 1.61 1.63 -2.01 -3.25 116.57 114.80 1jgn h LYS 42 Ca 0.00 -0.41 0.04 0.00 -0.85 0.00 0.00 60.65 59.43 1jgn h LYS 42 Cb 0.00 0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.71 1jgn h LYS 42 CO 0.00 1.12 -0.21 0.82 -3.45 0.00 0.00 179.45 177.73 1jgn h ILE 43 N 0.16 0.49 -0.73 2.00 2.04 -1.82 -1.41 117.51 118.23 1jgn h ILE 43 Ca -0.09 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.86 1jgn h ILE 43 Cb 1.69 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 38.19 1jgn h ILE 43 CO 0.17 0.00 0.37 0.00 0.00 0.00 0.00 178.15 178.69 1jgn h THR 44 N -0.29 0.85 -0.16 -0.27 1.03 -1.92 -2.61 112.91 109.54 1jgn h THR 44 Ca 0.08 -0.22 0.03 0.00 -0.01 0.00 0.00 66.41 66.30 1jgn h THR 44 Cb 0.41 0.17 -0.06 0.00 -1.07 0.00 0.00 68.15 67.60 1jgn h THR 44 CO -0.25 0.11 -0.48 1.23 -0.01 0.00 0.00 175.52 176.13 1jgn h GLY 45 N 0.63 -1.15 0.91 2.99 0.00 -1.30 0.38 103.07 105.53 1jgn h GLY 45 Ca 0.36 0.69 -0.00 0.00 0.00 0.00 0.00 47.33 48.38 1jgn h GLY 45 CO -0.27 -0.24 -0.00 0.00 0.00 0.00 0.00 176.54 176.03 1jgn h MET 46 N -0.48 -0.01 -0.10 4.80 -0.00 -1.31 -2.23 114.93 115.59 1jgn h MET 46 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.73 1jgn h MET 46 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.19 1jgn h MET 46 CO -0.41 0.08 0.00 1.28 -0.00 0.00 0.00 176.91 177.87 1jgn n LEU 47 N -5.05 0.10 0.23 -0.10 7.99 -1.00 -3.79 117.00 115.37 1jgn n LEU 47 Ca -0.07 -0.05 0.06 0.00 -0.01 0.00 0.00 56.01 55.94 1jgn n LEU 47 Cb 0.07 -0.05 0.53 0.00 -0.11 0.00 0.00 43.42 43.86 1jgn n LEU 47 CO 0.33 0.02 0.91 0.25 -1.51 0.00 0.00 177.39 177.39 1jgn h LEU 48 N 0.01 0.00 -1.90 2.23 7.12 0.40 -2.18 115.31 120.99 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 0.05 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.18 1jgn h LEU 48 CO 0.00 0.18 0.00 -1.84 -0.13 0.00 0.00 178.44 176.65 1jgn n GLU 49 N -4.24 0.87 -2.06 1.25 0.28 -1.25 -4.65 120.64 110.84 1jgn n GLU 49 Ca -0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.70 1jgn n GLU 49 Cb 0.25 -1.10 0.08 0.00 1.43 0.00 0.00 31.44 32.09 1jgn n GLU 49 CO 0.00 0.00 0.00 -1.50 -0.16 0.00 0.00 177.13 175.47 1jgn s ILE 50 N 0.02 2.20 0.28 3.84 2.07 -0.82 -5.01 121.20 123.77 1jgn s ILE 50 Ca 0.00 -0.12 -0.29 0.00 -1.41 0.00 0.00 60.65 58.82 1jgn s ILE 50 Cb 0.00 -3.02 -0.10 0.00 0.13 0.00 0.00 42.46 39.47 1jgn s ILE 50 CO 0.00 -0.02 1.33 -1.81 -1.91 0.00 0.00 174.94 172.52 1jgn s ASP 51 N -4.54 6.80 0.26 4.50 1.01 -1.26 -4.92 116.67 118.51 1jgn s ASP 51 Ca 0.61 2.60 0.13 0.00 0.71 0.00 0.00 52.55 56.59 1jgn s ASP 51 Cb -0.11 -2.63 0.20 0.00 1.01 0.00 0.00 42.92 41.39 1jgn s ASP 51 CO 0.47 -0.55 1.50 0.78 0.21 0.00 0.00 175.17 177.58 1jgn h ASN 52 N 4.23 0.00 0.60 0.27 4.21 -1.95 -1.50 115.58 121.44 1jgn h ASN 52 Ca -0.47 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 56.88 1jgn h ASN 52 Cb 1.22 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.40 1jgn h ASN 52 CO 0.71 0.64 -0.72 0.28 -1.29 0.00 0.00 177.43 177.05 1jgn h SER 53 N 0.00 0.12 0.89 5.81 0.02 -2.01 -3.06 113.55 115.31 1jgn h SER 53 Ca -0.01 -0.08 -0.18 0.00 -0.84 0.00 0.00 61.79 60.68 1jgn h SER 53 Cb 1.32 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 1jgn h SER 53 CO 0.08 0.80 -0.87 -0.33 -1.14 0.00 0.00 176.83 175.38 1jgn h GLU 54 N 0.07 0.00 -0.37 3.45 4.39 -1.91 -3.17 114.58 117.04 1jgn h GLU 54 Ca -0.02 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.70 1jgn h GLU 54 Cb 1.27 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.90 1jgn h GLU 54 CO 0.10 0.87 0.21 1.37 -1.16 0.00 0.00 179.01 180.39 1jgn h LEU 55 N 0.00 0.33 -0.58 1.33 8.10 -1.17 0.81 115.31 124.12 1jgn h LEU 55 Ca -0.01 0.01 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 1jgn h LEU 55 Cb 1.54 -0.06 -0.03 0.00 -0.44 0.00 0.00 40.66 41.67 1jgn h LEU 55 CO 0.11 0.24 0.32 0.25 -4.11 0.00 0.00 178.44 175.25 1jgn h LEU 56 N 0.42 0.73 -1.85 0.17 5.85 -1.60 -1.26 115.31 117.77 1jgn h LEU 56 Ca 0.15 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1jgn h LEU 56 Cb 0.02 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1jgn h LEU 56 CO -0.08 0.61 0.00 0.45 -0.34 0.00 0.00 178.44 179.08 1jgn h HIS 57 N 0.78 0.00 -0.06 1.25 3.86 -1.38 -2.88 115.15 116.73 1jgn h HIS 57 Ca 0.20 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.36 1jgn h HIS 57 Cb 0.05 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.52 1jgn h HIS 57 CO -0.01 0.00 -0.17 0.52 0.86 0.00 0.00 177.93 179.13 1jgn h MET 58 N 0.00 0.21 0.00 2.45 2.86 0.37 -2.01 114.93 118.81 1jgn h MET 58 Ca 0.00 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1jgn h MET 58 Cb 0.34 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.02 1jgn h MET 58 CO 0.00 0.77 -0.03 1.25 1.06 0.00 0.00 176.91 179.96 1jgn h LEU 59 N -0.31 0.00 -0.39 1.22 7.12 -1.29 -1.97 115.31 119.68 1jgn h LEU 59 Ca -0.01 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.00 1jgn h LEU 59 Cb 0.79 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.92 1jgn h LEU 59 CO 0.04 0.03 -0.62 -0.62 -0.13 0.00 0.00 178.44 177.13 1jgn n GLU 60 N -3.18 0.52 -3.87 1.25 -0.58 -1.15 -4.67 120.64 108.95 1jgn n GLU 60 Ca -0.01 -0.39 -0.30 0.00 -0.42 0.00 0.00 57.16 56.04 1jgn n GLU 60 Cb 0.23 -1.49 -0.13 0.00 -0.57 0.00 0.00 31.44 29.47 1jgn n GLU 60 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1jgn s SER 61 N -2.75 4.15 0.42 1.62 0.15 -0.74 -4.95 113.70 111.60 1jgn s SER 61 Ca 0.15 -3.04 0.10 0.00 0.70 0.00 0.00 55.95 53.86 1jgn s SER 61 Cb 0.17 -1.46 0.89 0.00 -1.71 0.00 0.00 66.02 63.91 1jgn s SER 61 CO 0.69 -0.22 1.99 1.55 1.20 0.00 0.00 173.24 178.45 1jgn h PRO 62 N 6.38 0.26 0.02 5.44 0.13 -1.83 0.15 132.00 142.54 1jgn h PRO 62 Ca -0.02 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 1jgn h PRO 62 Cb 0.88 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1jgn h PRO 62 CO 0.63 0.30 -0.15 0.93 -0.23 0.00 0.00 178.00 179.49 1jgn h GLU 63 N 0.25 0.07 -0.05 0.86 5.08 -1.92 -3.02 114.58 115.86 1jgn h GLU 63 Ca 0.06 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1jgn h GLU 63 Cb 0.21 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1jgn h GLU 63 CO 0.01 0.96 -0.04 0.77 -1.00 0.00 0.00 179.01 179.70 1jgn h SER 64 N -0.77 0.12 0.51 1.42 0.02 -1.91 -2.99 113.55 109.96 1jgn h SER 64 Ca -0.02 -0.47 -0.02 0.00 -0.84 0.00 0.00 61.79 60.43 1jgn h SER 64 Cb 1.02 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.53 1jgn h SER 64 CO 0.03 0.57 -0.25 0.25 -1.14 0.00 0.00 176.83 176.28 1jgn h LEU 65 N -0.32 -0.61 -1.97 5.07 5.85 -0.88 -2.72 115.31 119.73 1jgn h LEU 65 Ca 0.01 0.02 0.27 0.00 0.84 0.00 0.00 57.88 59.02 1jgn h LEU 65 Cb 0.53 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1jgn h LEU 65 CO 0.01 -0.43 0.70 -0.09 -0.34 0.00 0.00 178.44 178.30 1jgn h ARG 66 N -0.70 0.00 -0.47 1.25 1.12 -1.67 0.47 114.38 114.38 1jgn h ARG 66 Ca -0.07 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.77 1jgn h ARG 66 Cb 0.54 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.48 1jgn h ARG 66 CO 0.11 0.00 0.16 1.03 -3.11 0.00 0.00 179.97 178.16 1jgn h SER 67 N 0.00 0.67 0.66 -3.80 0.87 -1.35 0.25 113.55 110.85 1jgn h SER 67 Ca 0.44 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1jgn h SER 67 Cb 1.83 -0.17 0.01 0.00 -0.44 0.00 0.00 62.40 63.63 1jgn h SER 67 CO -0.00 0.68 -0.32 0.11 -0.53 0.00 0.00 176.83 176.77 1jgn h LYS 68 N 0.62 -0.85 0.00 2.24 1.57 0.20 -3.08 116.57 117.27 1jgn h LYS 68 Ca 0.15 0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1jgn h LYS 68 Cb 0.24 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1jgn h LYS 68 CO -0.01 -0.57 -0.02 0.28 -0.57 0.00 0.00 179.45 178.57 1jgn h VAL 69 N -1.17 0.33 -0.23 0.50 2.07 -1.37 -1.30 116.25 115.08 1jgn h VAL 69 Ca -0.09 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.37 1jgn h VAL 69 Cb 0.68 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1jgn h VAL 69 CO 0.15 0.02 -0.05 -0.78 0.02 0.00 0.00 177.57 176.92 1jgn h ASP 70 N 0.00 -0.20 0.53 0.57 3.58 -0.40 0.22 116.42 120.71 1jgn h ASP 70 Ca -0.00 0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.44 1jgn h ASP 70 Cb 0.07 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1jgn h ASP 70 CO 0.00 -0.07 -0.36 -0.08 -2.88 0.00 0.00 179.24 175.85 1jgn h GLU 71 N 0.01 0.00 -0.78 0.28 4.57 -1.24 -2.45 114.58 114.96 1jgn h GLU 71 Ca 0.11 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.30 1jgn h GLU 71 Cb 0.16 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 1jgn h GLU 71 CO -0.23 0.36 0.52 0.00 -1.18 0.00 0.00 179.01 178.48 1jgn h ALA 72 N 1.64 1.46 0.00 2.92 0.00 0.04 0.17 119.26 125.48 1jgn h ALA 72 Ca -0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1jgn h ALA 72 Cb 0.72 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1jgn h ALA 72 CO 0.05 0.50 -0.31 0.28 0.00 0.00 0.00 179.25 179.77 1jgn h VAL 73 N 1.04 1.19 -0.29 0.00 2.07 -0.21 -2.76 116.25 117.28 1jgn h VAL 73 Ca 0.29 -1.07 -0.18 0.00 0.82 0.00 0.00 66.70 66.56 1jgn h VAL 73 Cb -0.10 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1jgn h VAL 73 CO -0.07 0.30 -0.51 0.00 0.02 0.00 0.00 177.57 177.32 1jgn h ALA 74 N 1.69 0.46 -0.98 1.67 0.00 -0.65 -3.05 119.26 118.40 1jgn h ALA 74 Ca -0.00 -0.50 0.12 0.00 0.00 0.00 0.00 54.91 54.53 1jgn h ALA 74 Cb 0.56 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 18.19 1jgn h ALA 74 CO 0.04 0.65 0.62 -0.39 0.00 0.00 0.00 179.25 180.16 1jgn h VAL 75 N 0.64 0.90 -0.26 0.00 -1.51 -0.83 -1.81 116.25 113.38 1jgn h VAL 75 Ca 0.02 -0.32 -0.02 0.00 -1.23 0.00 0.00 66.70 65.15 1jgn h VAL 75 Cb 1.12 -0.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.16 1jgn h VAL 75 CO 0.12 0.17 0.07 0.25 -1.23 0.00 0.00 177.57 176.95 1jgn h LEU 76 N 0.93 0.39 -1.42 4.19 6.46 -1.48 0.20 115.31 124.57 1jgn h LEU 76 Ca 0.48 -0.22 0.15 0.00 -0.12 0.00 0.00 57.88 58.18 1jgn h LEU 76 Cb 0.53 -0.10 -0.06 0.00 -0.73 0.00 0.00 40.66 40.30 1jgn h LEU 76 CO -0.25 0.50 0.55 1.56 -0.62 0.00 0.00 178.44 180.18 1jgn h GLN 77 N 0.26 0.54 0.00 1.25 1.08 -1.25 0.37 115.11 117.36 1jgn h GLN 77 Ca 0.08 -0.03 -0.15 0.00 -1.45 0.00 0.00 58.65 57.10 1jgn h GLN 77 Cb 0.26 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.54 1jgn h GLN 77 CO -0.00 0.36 -0.79 0.00 -0.95 0.00 0.00 178.83 177.45 1jgn h ALA 78 N 1.62 0.57 0.00 3.87 0.00 -1.02 -3.18 119.26 121.11 1jgn h ALA 78 Ca 0.42 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1jgn h ALA 78 Cb 0.83 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1jgn h ALA 78 CO -0.17 0.89 0.00 1.58 0.00 0.00 0.00 179.25 181.55 1jgn n HIS 79 N -3.23 0.39 0.07 0.00 -0.00 0.10 -2.44 115.22 110.11 1jgn n HIS 79 Ca -0.00 0.12 -0.17 0.00 -0.00 0.00 0.00 57.72 57.67 1jgn n HIS 79 Cb 0.82 -0.70 -0.14 0.00 -0.00 0.00 0.00 29.99 29.97 1jgn n HIS 79 CO 0.00 0.00 0.00 0.37 -0.00 0.00 0.00 176.34 176.71 1jgn h GLN 80 N 0.00 0.26 0.00 1.57 4.15 -0.70 -3.10 115.11 117.30 1jgn h GLN 80 Ca 0.00 -0.45 -0.00 0.00 0.77 0.00 0.00 58.65 58.97 1jgn h GLN 80 Cb 0.52 0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.38 1jgn h GLN 80 CO 0.00 1.14 -0.00 0.00 -1.93 0.00 0.00 178.83 178.04 1jgn h ALA 81 N 0.50 -0.00 -0.83 3.38 0.00 -1.62 -2.53 119.26 118.16 1jgn h ALA 81 Ca -0.22 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 1jgn h ALA 81 Cb 2.01 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.76 1jgn h ALA 81 CO 0.17 -0.01 0.47 0.87 0.00 0.00 0.00 179.25 180.75 1jgn h LYS 82 N -0.98 1.13 0.03 0.00 1.79 -1.66 0.05 116.57 116.92 1jgn h LYS 82 Ca -0.00 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1jgn h LYS 82 Cb 0.95 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1jgn h LYS 82 CO 0.00 0.82 -0.01 1.49 -1.08 0.00 0.00 179.45 180.66 1jgn h GLU 83 N 1.15 -0.03 0.00 3.15 4.81 -1.67 -3.22 114.58 118.76 1jgn h GLU 83 Ca 0.29 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1jgn h GLU 83 Cb -0.00 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 1jgn h GLU 83 CO -0.05 0.64 -0.12 0.00 -0.73 0.00 0.00 179.01 178.76 1jgn h ALA 84 N 0.14 1.42 -1.21 2.92 0.00 -1.40 -3.29 119.26 117.83 1jgn h ALA 84 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jgn h ALA 84 Cb 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1jgn h ALA 84 CO 0.01 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1jgn n ALA 85 N -2.34 -0.23 -2.74 0.00 0.00 -0.00 -4.51 120.51 110.69 1jgn n ALA 85 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 1jgn n ALA 85 Cb 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.62 1jgn n ALA 85 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1jgn s GLN 86 N -1.82 3.22 -0.45 0.00 -0.21 -1.22 -4.90 119.66 114.28 1jgn s GLN 86 Ca 0.00 -0.56 -0.01 0.00 0.02 0.00 0.00 55.36 54.81 1jgn s GLN 86 Cb 0.00 -4.12 0.32 0.00 1.00 0.00 0.00 33.01 30.21 1jgn s GLN 86 CO 0.00 -1.54 2.00 1.63 -2.12 0.00 0.00 175.29 175.26 1jgn n LYS 87 N 7.30 2.15 0.00 2.91 5.02 -1.26 -4.37 118.16 129.90 1jgn n LYS 87 Ca -0.02 -2.26 0.15 0.00 -2.02 0.00 0.00 58.31 54.16 1jgn n LYS 87 Cb 0.46 -1.89 0.69 0.00 -0.02 0.00 0.00 35.03 34.28 1jgn n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jgn n ALA 88 N -0.20 2.63 -0.11 7.82 0.00 -1.26 -3.76 120.51 125.62 1jgn n ALA 88 Ca 0.43 -0.34 -0.17 0.00 0.00 0.00 0.00 53.44 53.37 1jgn n ALA 88 Cb 0.65 -1.31 -0.13 0.00 0.00 0.00 0.00 19.45 18.67 1jgn n ALA 88 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1jgn n VAL 89 N -0.33 1.49 -2.63 0.00 0.24 -1.26 -4.99 118.33 110.85 1jgn n VAL 89 Ca 0.21 -0.63 -0.23 0.00 -2.04 0.00 0.00 64.34 61.64 1jgn n VAL 89 Cb 0.26 -1.25 0.03 0.00 -1.47 0.00 0.00 33.84 31.41 1jgn n VAL 89 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 1jgn s ASN 90 N -6.36 5.41 -0.52 -1.34 2.47 -1.25 -5.01 114.94 108.35 1jgn s ASN 90 Ca -0.29 0.25 -0.28 0.00 0.42 0.00 0.00 52.86 52.97 1jgn s ASN 90 Cb 0.08 -1.22 0.01 0.00 -1.45 0.00 0.00 41.25 38.67 1jgn s ASN 90 CO 0.66 -1.08 1.49 -0.55 -3.72 0.00 0.00 177.10 173.91 1jgn s SER 91 N -4.36 6.05 1.04 -4.21 0.15 -1.26 -5.00 113.70 106.12 1jgn s SER 91 Ca 0.55 0.48 -0.09 0.00 0.70 0.00 0.00 55.95 57.59 1jgn s SER 91 Cb -0.10 -2.54 0.12 0.00 -1.71 0.00 0.00 66.02 61.79 1jgn s SER 91 CO 0.40 -1.73 0.59 0.00 1.20 0.00 0.00 173.24 173.70 1jgn n ALA 92 N 9.84 -1.07 -2.39 5.45 0.00 -1.26 -5.09 120.51 125.99 1jgn n ALA 92 Ca 0.15 -0.80 -0.24 0.00 0.00 0.00 0.00 53.44 52.55 1jgn n ALA 92 Cb 0.49 -0.05 -0.06 0.00 0.00 0.00 0.00 19.45 19.84 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 -2.21 2.32 -0.11 0.00 -4.23 -1.26 -5.07 115.64 105.09 1jgn s THR 93 Ca 0.35 -1.60 -0.11 0.00 -1.18 0.00 0.00 61.69 59.15 1jgn s THR 93 Cb -0.02 -2.93 -0.27 0.00 1.34 0.00 0.00 72.50 70.62 1jgn s THR 93 CO 0.25 0.00 0.46 1.23 -0.54 0.00 0.00 174.62 176.02 1jgn h GLY 94 N 1.29 0.31 -5.67 3.99 0.00 -1.98 -3.46 103.07 97.54 1jgn h GLY 94 Ca -0.42 -0.79 -0.62 0.00 0.00 0.00 0.00 47.33 45.50 1jgn h GLY 94 CO 0.66 0.69 -0.37 0.14 0.00 0.00 0.00 176.54 177.66 1jgn s VAL 95 N -2.53 5.32 0.34 4.60 1.01 -1.26 -4.99 120.40 122.89 1jgn s VAL 95 Ca -0.21 0.46 0.03 0.00 0.00 0.00 0.00 61.98 62.26 1jgn s VAL 95 Cb 0.06 -3.55 0.28 0.00 0.00 0.00 0.00 36.38 33.16 1jgn s VAL 95 CO 0.77 0.51 1.96 1.55 0.00 0.00 0.00 175.10 179.90 1jgn h PRO 96 N 5.70 0.86 -6.14 2.72 0.13 -2.06 -3.42 132.00 129.80 1jgn h PRO 96 Ca -0.48 -0.05 -0.56 0.00 -0.87 0.00 0.00 66.00 64.04 1jgn h PRO 96 Cb 1.20 -0.19 -0.05 0.00 0.13 0.00 0.00 31.00 32.08 1jgn h PRO 96 CO 0.67 0.57 -0.52 -0.08 -0.23 0.00 0.00 178.00 178.41 1jgn s THR 97 N -5.77 4.83 -1.48 1.56 -1.32 -1.26 -5.14 115.64 107.07 1jgn s THR 97 Ca -0.10 -0.93 0.12 0.00 -1.21 0.00 0.00 61.69 59.57 1jgn s THR 97 Cb 0.19 -3.48 0.09 0.00 -1.51 0.00 0.00 72.50 67.79 1jgn s THR 97 CO 0.78 -0.11 0.87 0.52 -2.21 0.00 0.00 174.62 174.47