#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 0.67 -6.56 1.61 0.13 -2.09 -3.41 132.00 122.35 1jgn h PRO 2 Ca 0.00 -0.48 -0.55 0.00 -0.87 0.00 0.00 66.00 64.09 1jgn h PRO 2 Cb 0.00 0.08 -0.08 0.00 0.13 0.00 0.00 31.00 31.13 1jgn h PRO 2 CO 0.00 1.10 0.96 -1.17 -0.23 0.00 0.00 178.00 178.66 1jgn s LEU 3 N -8.37 3.48 -1.27 1.56 1.98 -1.26 -4.95 118.68 109.85 1jgn s LEU 3 Ca -0.09 0.10 -0.18 0.00 -2.89 0.00 0.00 54.13 51.08 1jgn s LEU 3 Cb 0.10 -3.17 0.09 0.00 0.66 0.00 0.00 46.19 43.87 1jgn s LEU 3 CO 0.87 -1.47 1.68 -0.83 -1.89 0.00 0.00 176.35 174.72 1jgn s GLY 4 N 2.94 1.75 -0.19 7.98 0.00 -1.26 -4.72 107.32 113.81 1jgn s GLY 4 Ca 0.43 -2.97 -0.22 0.00 0.00 0.00 0.00 44.72 41.96 1jgn s GLY 4 CO 0.25 2.62 0.30 0.23 0.00 0.00 0.00 173.10 176.51 1jgn h SER 5 N 7.59 0.00 0.10 1.64 0.87 -1.96 -3.38 113.55 118.41 1jgn h SER 5 Ca 0.42 -0.58 -0.05 0.00 -1.23 0.00 0.00 61.79 60.36 1jgn h SER 5 Cb 0.88 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 1jgn h SER 5 CO 1.42 1.36 -0.16 1.55 -0.53 0.00 0.00 176.83 180.47 1jgn h PRO 6 N -1.00 0.13 -5.08 2.24 0.13 -2.03 -3.40 132.00 122.99 1jgn h PRO 6 Ca -0.27 -0.03 -0.64 0.00 -0.87 0.00 0.00 66.00 64.20 1jgn h PRO 6 Cb 1.21 -0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.16 1jgn h PRO 6 CO -0.16 0.30 -0.29 -0.51 -0.23 0.00 0.00 178.00 177.11 1jgn s LEU 7 N -8.68 4.10 -0.01 1.56 1.43 -1.26 -4.94 118.68 110.88 1jgn s LEU 7 Ca -0.05 0.14 0.11 0.00 -1.03 0.00 0.00 54.13 53.31 1jgn s LEU 7 Cb 0.15 -2.36 -0.23 0.00 0.03 0.00 0.00 46.19 43.79 1jgn s LEU 7 CO 0.72 -0.19 0.79 0.00 0.23 0.00 0.00 176.35 177.90 1jgn h THR 8 N 5.41 1.03 -0.74 5.49 1.03 -1.85 -3.11 112.91 120.18 1jgn h THR 8 Ca -0.32 -2.85 0.03 0.00 -0.01 0.00 0.00 66.41 63.26 1jgn h THR 8 Cb 1.16 2.51 -0.04 0.00 -1.07 0.00 0.00 68.15 70.71 1jgn h THR 8 CO 0.64 0.59 0.49 0.00 -0.01 0.00 0.00 175.52 177.23 1jgn h ALA 9 N 0.99 1.54 -0.22 0.00 0.00 -1.93 0.25 119.26 119.90 1jgn h ALA 9 Ca -0.23 -0.04 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 1jgn h ALA 9 Cb 1.96 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1jgn h ALA 9 CO 0.09 0.39 -0.45 1.03 0.00 0.00 0.00 179.25 180.31 1jgn h SER 10 N 0.93 0.60 -0.30 0.00 0.87 -1.92 -2.74 113.55 110.99 1jgn h SER 10 Ca 0.29 -0.28 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 1jgn h SER 10 Cb 0.01 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 1jgn h SER 10 CO -0.08 0.97 0.01 0.24 -0.53 0.00 0.00 176.83 177.44 1jgn h MET 11 N 0.45 0.64 -0.35 2.24 2.86 -0.91 -1.98 114.93 117.88 1jgn h MET 11 Ca 0.03 -0.15 0.07 0.00 -2.06 0.00 0.00 59.70 57.59 1jgn h MET 11 Cb 0.97 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.47 1jgn h MET 11 CO 0.09 0.65 -0.10 -0.07 1.06 0.00 0.00 176.91 178.54 1jgn h LEU 12 N 0.61 -0.36 -1.46 1.22 3.38 -0.29 0.58 115.31 118.98 1jgn h LEU 12 Ca 0.13 0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 1jgn h LEU 12 Cb 0.37 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 1jgn h LEU 12 CO 0.01 -0.13 -0.27 0.00 0.09 0.00 0.00 178.44 178.14 1jgn h ALA 13 N 1.33 1.43 -0.68 1.53 0.00 -1.44 -2.68 119.26 118.75 1jgn h ALA 13 Ca 0.17 -0.25 -0.19 0.00 0.00 0.00 0.00 54.91 54.65 1jgn h ALA 13 Cb 0.28 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.91 1jgn h ALA 13 CO -0.37 0.34 0.22 0.43 0.00 0.00 0.00 179.25 179.87 1jgn n SER 14 N -4.05 4.74 -3.13 0.00 7.64 0.48 -4.55 113.62 114.74 1jgn n SER 14 Ca -0.02 -3.22 -0.21 0.00 1.01 0.00 0.00 58.87 56.43 1jgn n SER 14 Cb 0.34 -0.72 -0.04 0.00 -1.01 0.00 0.00 64.21 62.78 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 -0.18 2.78 -0.01 -0.43 0.00 0.17 -4.95 120.51 117.90 1jgn n ALA 15 Ca 0.38 -3.77 -0.10 0.00 0.00 0.00 0.00 53.44 49.96 1jgn n ALA 15 Cb 1.33 -0.87 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 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 3.09 -0.06 0.00 0.00 0.11 -1.80 -3.40 132.00 129.95 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 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1jgn h PRO 16 CO 0.59 -0.04 0.00 -2.30 -0.21 0.00 0.00 178.00 176.04 1jgn n PRO 17 N -5.20 -0.27 -1.02 1.05 -0.02 -1.26 -4.76 135.00 123.52 1jgn n PRO 17 Ca -0.04 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.13 1jgn n PRO 17 Cb 0.13 0.00 -0.02 0.00 -0.02 0.00 0.00 33.50 33.59 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 -0.90 2.52 -0.15 -0.52 6.02 -1.26 -4.44 117.38 118.65 1jgn n GLN 18 Ca 0.00 -1.80 0.10 0.00 -0.01 0.00 0.00 57.00 55.30 1jgn n GLN 18 Cb 0.00 -2.67 0.29 0.00 1.02 0.00 0.00 30.24 28.88 1jgn n GLN 18 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1jgn n GLU 19 N 4.53 2.08 -0.14 -1.09 -0.58 -1.26 -4.52 120.64 119.66 1jgn n GLU 19 Ca 0.55 -1.63 -0.09 0.00 -0.42 0.00 0.00 57.16 55.56 1jgn n GLU 19 Cb 0.21 -1.43 -0.04 0.00 -0.57 0.00 0.00 31.44 29.61 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 3.12 -0.30 -0.35 3.49 -0.00 -1.82 0.30 115.11 119.56 1jgn h GLN 20 Ca 0.00 0.02 0.10 0.00 -0.00 0.00 0.00 58.65 58.77 1jgn h GLN 20 Cb 0.69 0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 28.22 1jgn h GLN 20 CO 0.00 -0.20 0.27 1.57 -0.00 0.00 0.00 178.83 180.47 1jgn h LYS 21 N -0.31 0.00 0.00 0.06 2.10 -1.76 0.21 116.57 116.88 1jgn h LYS 21 Ca 0.15 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.80 1jgn h LYS 21 Cb 0.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.91 1jgn h LYS 21 CO -0.58 0.00 0.00 0.94 -2.00 0.00 0.00 179.45 177.81 1jgn n GLN 22 N -4.28 0.00 0.00 0.07 -0.06 0.96 -4.13 117.38 109.94 1jgn n GLN 22 Ca 0.05 0.31 0.00 0.00 -2.00 0.00 0.00 57.00 55.36 1jgn n GLN 22 Cb 0.44 -0.99 0.00 0.00 -4.06 0.00 0.00 30.24 25.63 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 -1.42 0.00 0.00 3.69 0.00 -0.53 -4.24 117.12 114.62 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 -0.06 0.07 0.00 0.00 0.00 0.00 33.22 33.23 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 -1.21 -4.77 117.00 114.19 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 -0.64 3.60 0.06 1.47 0.00 0.74 -1.06 105.19 109.36 1jgn n GLY 25 Ca 0.02 0.05 -0.02 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 -0.11 0.00 1.61 3.07 -1.89 -3.00 114.58 114.27 1jgn h GLU 26 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1jgn h GLU 26 Cb 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1jgn h GLU 26 CO 0.00 -0.07 0.00 -2.13 -1.40 0.00 0.00 179.01 175.41 1jgn n ARG 27 N -3.08 0.00 0.00 2.33 0.00 -0.55 -4.88 116.66 110.48 1jgn n ARG 27 Ca -0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 1jgn n ARG 27 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.50 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 -0.23 6.15 4.32 -0.22 -3.51 117.00 123.51 1jgn n LEU 28 Ca 0.00 0.62 0.07 0.00 -0.02 0.00 0.00 56.01 56.67 1jgn n LEU 28 Cb 0.40 -0.12 0.14 0.00 -1.62 0.00 0.00 43.42 42.22 1jgn n LEU 28 CO 0.00 -0.12 0.47 0.33 -1.22 0.00 0.00 177.39 176.86 1jgn n PHE 29 N -0.87 0.32 -0.20 -1.77 -0.00 -1.22 -0.32 117.46 113.40 1jgn n PHE 29 Ca 0.00 0.80 -0.07 0.00 -0.00 0.00 0.00 57.45 58.18 1jgn n PHE 29 Cb 0.00 -0.93 0.03 0.00 -0.00 0.00 0.00 39.48 38.57 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 0.82 -0.16 -7.13 0.13 -1.82 0.85 132.00 124.69 1jgn h PRO 30 Ca 0.35 -0.11 -0.10 0.00 -0.87 0.00 0.00 66.00 65.27 1jgn h PRO 30 Cb 0.63 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1jgn h PRO 30 CO -0.65 0.65 -0.30 1.37 -0.23 0.00 0.00 178.00 178.85 1jgn h LEU 31 N 0.78 0.53 -0.39 1.56 8.10 -0.71 -2.47 115.31 122.70 1jgn h LEU 31 Ca 0.20 -0.55 0.00 0.00 0.11 0.00 0.00 57.88 57.64 1jgn h LEU 31 Cb 0.10 -0.15 0.00 0.00 -0.44 0.00 0.00 40.66 40.16 1jgn h LEU 31 CO -0.03 0.98 0.00 -0.38 -4.11 0.00 0.00 178.44 174.90 1jgn n ILE 32 N -4.38 0.77 -0.25 0.15 5.41 -0.60 -2.30 119.36 118.16 1jgn n ILE 32 Ca -0.06 0.14 -0.06 0.00 1.00 0.00 0.00 62.75 63.76 1jgn n ILE 32 Cb 0.47 -0.99 0.05 0.00 -0.71 0.00 0.00 39.64 38.46 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 1.02 0.00 0.38 5.75 0.12 1.43 115.11 123.80 1jgn h GLN 33 Ca 0.00 -0.16 -0.06 0.00 -0.15 0.00 0.00 58.65 58.29 1jgn h GLN 33 Cb 0.41 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 1jgn h GLN 33 CO 0.00 0.81 -0.27 0.00 -2.65 0.00 0.00 178.83 176.71 1jgn h ALA 34 N 1.16 1.35 -0.70 3.38 0.00 -1.42 -1.62 119.26 121.41 1jgn h ALA 34 Ca 0.24 -0.25 -0.24 0.00 0.00 0.00 0.00 54.91 54.66 1jgn h ALA 34 Cb 0.13 -0.04 -0.14 0.00 0.00 0.00 0.00 17.79 17.74 1jgn h ALA 34 CO -0.03 0.34 0.27 -1.33 0.00 0.00 0.00 179.25 178.50 1jgn n MET 35 N -3.93 3.21 0.13 0.00 2.81 0.16 -4.65 117.12 114.86 1jgn n MET 35 Ca -0.02 -3.07 0.03 0.00 -1.81 0.00 0.00 57.70 52.83 1jgn n MET 35 Cb 0.35 -2.13 0.40 0.00 -0.71 0.00 0.00 33.22 31.13 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 2.14 0.21 -1.47 2.03 -0.00 0.29 -3.12 115.15 115.21 1jgn h HIS 36 Ca 0.30 -0.02 0.44 0.00 -0.00 0.00 0.00 60.37 61.09 1jgn h HIS 36 Cb 2.27 -0.06 -0.08 0.00 -0.00 0.00 0.00 27.41 29.55 1jgn h HIS 36 CO 1.24 0.35 1.03 -2.30 -0.00 0.00 0.00 177.93 178.25 1jgn n PRO 37 N -4.27 -0.01 0.00 5.12 -0.02 -1.26 -2.12 135.00 132.43 1jgn n PRO 37 Ca -0.01 0.92 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1jgn n PRO 37 Cb 0.27 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 -3.77 0.00 -2.69 3.45 -1.04 -1.18 -5.00 114.28 104.05 1jgn n THR 38 Ca 0.35 0.05 -0.05 0.00 -2.04 0.00 0.00 64.05 62.36 1jgn n THR 38 Cb 1.54 -0.14 0.10 0.00 -1.82 0.00 0.00 70.33 70.01 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 -0.05 -1.62 -0.33 -4.42 7.94 -0.90 -5.02 117.00 112.59 1jgn n LEU 39 Ca 0.00 -2.37 0.21 0.00 -1.11 0.00 0.00 56.01 52.73 1jgn n LEU 39 Cb 0.00 0.89 0.42 0.00 0.53 0.00 0.00 43.42 45.26 1jgn n LEU 39 CO 0.00 1.73 1.07 0.00 -1.11 0.00 0.00 177.39 179.08 1jgn h ALA 40 N 2.68 1.77 -0.29 1.96 0.00 -1.77 -0.71 119.26 122.90 1jgn h ALA 40 Ca -0.24 0.20 0.07 0.00 0.00 0.00 0.00 54.91 54.93 1jgn h ALA 40 Cb 1.17 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 1jgn h ALA 40 CO 0.02 -0.53 -0.17 0.78 0.00 0.00 0.00 179.25 179.35 1jgn h GLY 41 N 0.30 0.04 1.18 0.00 0.00 -1.91 -0.99 103.07 101.69 1jgn h GLY 41 Ca 0.69 0.21 -0.28 0.00 0.00 0.00 0.00 47.33 47.94 1jgn h GLY 41 CO -0.62 -0.17 -1.16 1.70 0.00 0.00 0.00 176.54 176.29 1jgn h LYS 42 N -0.14 0.62 0.00 4.80 1.63 -1.61 -3.18 116.57 118.70 1jgn h LYS 42 Ca 0.15 -0.79 0.03 0.00 -0.85 0.00 0.00 60.65 59.19 1jgn h LYS 42 Cb 0.37 0.25 -0.05 0.00 -0.60 0.00 0.00 32.23 32.21 1jgn h LYS 42 CO -0.37 1.35 -0.28 0.82 -3.45 0.00 0.00 179.45 177.52 1jgn h ILE 43 N 0.26 0.38 -0.92 2.00 2.04 -1.02 -1.21 117.51 119.03 1jgn h ILE 43 Ca -0.17 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.82 1jgn h ILE 43 Cb 1.83 0.38 -0.09 0.00 -0.74 0.00 0.00 36.82 38.20 1jgn h ILE 43 CO 0.22 0.00 0.54 0.00 0.00 0.00 0.00 178.15 178.91 1jgn h THR 44 N -0.42 0.83 0.04 -0.27 1.03 -1.30 -1.86 112.91 110.95 1jgn h THR 44 Ca 0.06 -0.28 0.00 0.00 -0.01 0.00 0.00 66.41 66.19 1jgn h THR 44 Cb 0.51 -0.05 -0.01 0.00 -1.07 0.00 0.00 68.15 67.53 1jgn h THR 44 CO -0.24 0.15 -0.14 1.23 -0.01 0.00 0.00 175.52 176.51 1jgn h GLY 45 N 0.81 -1.16 0.54 2.99 0.00 -1.21 0.69 103.07 105.73 1jgn h GLY 45 Ca 0.48 0.53 0.06 0.00 0.00 0.00 0.00 47.33 48.41 1jgn h GLY 45 CO -0.31 -0.40 0.15 0.00 0.00 0.00 0.00 176.54 175.98 1jgn h MET 46 N -0.20 0.31 -0.01 4.80 -0.00 -1.29 0.38 114.93 118.92 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 0.20 -0.07 0.00 0.00 -0.00 0.00 0.00 31.60 31.73 1jgn h MET 46 CO -0.07 0.20 0.00 1.28 -0.00 0.00 0.00 176.91 178.33 1jgn n LEU 47 N -5.03 0.05 0.10 -0.10 7.99 -0.71 -3.65 117.00 115.65 1jgn n LEU 47 Ca 0.04 -0.03 0.09 0.00 -0.01 0.00 0.00 56.01 56.11 1jgn n LEU 47 Cb 0.19 -0.01 0.42 0.00 -0.11 0.00 0.00 43.42 43.91 1jgn n LEU 47 CO 0.24 0.01 0.77 -0.11 -1.51 0.00 0.00 177.39 176.79 1jgn n LEU 48 N -0.56 0.42 -0.53 2.23 -0.00 0.24 -1.48 117.00 117.32 1jgn n LEU 48 Ca 0.04 0.65 0.00 0.00 -0.00 0.00 0.00 56.01 56.71 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 0.03 -0.65 0.25 -0.62 -0.00 0.00 0.00 177.39 176.40 1jgn n GLU 49 N -2.02 0.93 -2.45 1.96 1.02 -1.24 -4.84 120.64 114.01 1jgn n GLU 49 Ca 0.01 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1jgn n GLU 49 Cb 0.11 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 30.07 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 -0.93 4.73 0.67 -3.67 2.07 -0.55 -5.05 121.20 118.47 1jgn s ILE 50 Ca 0.00 0.76 -0.15 0.00 -1.41 0.00 0.00 60.65 59.85 1jgn s ILE 50 Cb 0.00 -3.79 0.01 0.00 0.13 0.00 0.00 42.46 38.81 1jgn s ILE 50 CO 0.00 -0.79 1.11 -1.81 -1.91 0.00 0.00 174.94 171.54 1jgn s ASP 51 N -3.58 5.04 0.06 4.50 1.11 -1.26 -4.95 116.67 117.58 1jgn s ASP 51 Ca 0.53 1.99 0.11 0.00 0.18 0.00 0.00 52.55 55.37 1jgn s ASP 51 Cb -0.10 -2.55 -0.18 0.00 1.07 0.00 0.00 42.92 41.15 1jgn s ASP 51 CO 0.40 -1.68 0.98 0.78 1.18 0.00 0.00 175.17 176.83 1jgn h ASN 52 N -0.08 0.00 0.71 0.27 4.21 -1.97 -2.56 115.58 116.16 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 1.25 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.42 1jgn h ASN 52 CO 0.54 0.90 -0.71 0.28 -1.29 0.00 0.00 177.43 177.15 1jgn h SER 53 N 0.00 0.00 1.05 5.81 0.02 -2.00 -3.07 113.55 115.36 1jgn h SER 53 Ca -0.14 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.61 1jgn h SER 53 Cb 1.81 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.32 1jgn h SER 53 CO 0.09 0.71 -0.93 -0.33 -1.14 0.00 0.00 176.83 175.23 1jgn h GLU 54 N 0.00 0.00 -0.35 3.45 4.39 -1.96 -3.18 114.58 116.93 1jgn h GLU 54 Ca -0.01 0.00 0.02 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 29.88 1jgn h GLU 54 CO 0.09 0.93 0.20 1.37 -1.16 0.00 0.00 179.01 180.44 1jgn h LEU 55 N 0.00 0.32 -0.39 1.33 8.10 -1.36 -0.77 115.31 122.54 1jgn h LEU 55 Ca -0.01 0.01 -0.01 0.00 0.11 0.00 0.00 57.88 57.97 1jgn h LEU 55 Cb 1.71 -0.06 -0.02 0.00 -0.44 0.00 0.00 40.66 41.85 1jgn h LEU 55 CO 0.12 0.23 0.19 0.25 -4.11 0.00 0.00 178.44 175.13 1jgn h LEU 56 N 0.41 0.50 -2.14 0.17 5.85 -1.62 -2.03 115.31 116.44 1jgn h LEU 56 Ca 0.14 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.75 1jgn h LEU 56 Cb 0.01 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 40.91 1jgn h LEU 56 CO -0.07 0.48 0.03 0.45 -0.34 0.00 0.00 178.44 178.98 1jgn h HIS 57 N 0.49 0.00 -0.04 1.25 3.86 -1.43 -2.52 115.15 116.76 1jgn h HIS 57 Ca 0.13 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1jgn h HIS 57 Cb 0.10 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1jgn h HIS 57 CO -0.02 0.00 -0.03 0.52 0.86 0.00 0.00 177.93 179.26 1jgn h MET 58 N 0.00 0.09 0.00 2.45 2.86 -0.41 -1.17 114.93 118.75 1jgn h MET 58 Ca 0.02 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 1jgn h MET 58 Cb 0.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 1jgn h MET 58 CO -0.00 0.54 -0.03 1.25 1.06 0.00 0.00 176.91 179.73 1jgn h LEU 59 N -0.36 0.00 -0.86 1.22 7.12 -1.19 0.01 115.31 121.25 1jgn h LEU 59 Ca 0.01 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.02 1jgn h LEU 59 Cb 0.52 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.65 1jgn h LEU 59 CO 0.01 0.03 -0.37 -0.62 -0.13 0.00 0.00 178.44 177.35 1jgn n GLU 60 N -3.23 1.14 -3.73 1.25 -0.58 -1.00 -4.57 120.64 109.91 1jgn n GLU 60 Ca -0.02 -0.86 -0.28 0.00 -0.42 0.00 0.00 57.16 55.59 1jgn n GLU 60 Cb 0.18 -1.48 -0.11 0.00 -0.57 0.00 0.00 31.44 29.46 1jgn n GLU 60 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1jgn n SER 61 N -0.18 2.42 -0.10 1.62 7.64 -0.01 -4.94 113.62 120.06 1jgn n SER 61 Ca 0.11 -3.08 0.13 0.00 1.01 0.00 0.00 58.87 57.03 1jgn n SER 61 Cb 0.43 -0.71 0.50 0.00 -1.01 0.00 0.00 64.21 63.43 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 5.22 0.39 0.01 1.43 0.11 -1.81 0.32 132.00 137.67 1jgn h PRO 62 Ca 0.17 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 1jgn h PRO 62 Cb 0.77 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1jgn h PRO 62 CO 0.67 0.26 -0.07 0.93 -0.21 0.00 0.00 178.00 179.57 1jgn h GLU 63 N 0.40 0.04 -0.19 1.05 4.39 -1.92 -3.12 114.58 115.24 1jgn h GLU 63 Ca 0.30 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.88 1jgn h GLU 63 Cb 0.63 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1jgn h GLU 63 CO -0.09 0.93 -0.16 0.77 -1.16 0.00 0.00 179.01 179.31 1jgn h SER 64 N -0.84 0.47 0.27 1.42 0.02 -1.85 -3.02 113.55 110.02 1jgn h SER 64 Ca -0.01 -0.46 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 1jgn h SER 64 Cb 0.97 -0.13 -0.00 0.00 0.14 0.00 0.00 62.40 63.37 1jgn h SER 64 CO 0.01 0.83 -0.16 0.25 -1.14 0.00 0.00 176.83 176.62 1jgn h LEU 65 N 0.11 -0.41 -1.85 5.07 5.85 -0.53 -1.75 115.31 121.79 1jgn h LEU 65 Ca 0.03 0.02 0.36 0.00 0.84 0.00 0.00 57.88 59.14 1jgn h LEU 65 Cb 0.69 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.78 1jgn h LEU 65 CO 0.04 -0.25 0.88 -0.09 -0.34 0.00 0.00 178.44 178.68 1jgn h ARG 66 N -0.40 0.07 -0.38 1.25 1.12 -1.67 0.99 114.38 115.35 1jgn h ARG 66 Ca -0.04 -0.00 -0.05 0.00 -1.11 0.00 0.00 59.98 58.78 1jgn h ARG 66 Cb 0.32 -0.02 -0.01 0.00 -0.01 0.00 0.00 29.97 30.25 1jgn h ARG 66 CO 0.04 0.05 0.05 0.77 -3.11 0.00 0.00 179.97 177.76 1jgn h SER 67 N 0.07 0.62 0.71 -3.80 0.02 -1.32 0.38 113.55 110.23 1jgn h SER 67 Ca 0.62 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 61.27 1jgn h SER 67 Cb 2.31 -0.16 0.01 0.00 0.14 0.00 0.00 62.40 64.69 1jgn h SER 67 CO -0.08 0.73 -0.34 0.50 -1.14 0.00 0.00 176.83 176.50 1jgn h LYS 68 N 0.48 -0.92 0.00 3.45 3.64 0.18 -2.88 116.57 120.52 1jgn h LYS 68 Ca 0.12 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1jgn h LYS 68 Cb 0.38 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1jgn h LYS 68 CO 0.01 -0.61 0.00 0.28 -2.27 0.00 0.00 179.45 176.86 1jgn h VAL 69 N -1.25 0.00 -0.26 2.00 2.07 -1.09 -1.00 116.25 116.72 1jgn h VAL 69 Ca -0.10 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.42 1jgn h VAL 69 Cb 0.74 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 1jgn h VAL 69 CO 0.16 0.00 -0.01 -0.78 0.02 0.00 0.00 177.57 176.96 1jgn h ASP 70 N 0.00 -0.13 0.07 0.57 1.82 -0.02 0.19 116.42 118.92 1jgn h ASP 70 Ca 0.00 0.06 -0.07 0.00 -0.39 0.00 0.00 57.03 56.63 1jgn h ASP 70 Cb 0.05 0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.16 1jgn h ASP 70 CO 0.00 -0.03 -0.23 -0.08 -1.61 0.00 0.00 179.24 177.29 1jgn h GLU 71 N 0.06 0.28 -0.78 0.28 4.81 -1.17 -2.25 114.58 115.81 1jgn h GLU 71 Ca 0.12 -0.09 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1jgn h GLU 71 Cb 0.17 -0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.47 1jgn h GLU 71 CO -0.22 0.50 0.51 0.00 -0.73 0.00 0.00 179.01 179.06 1jgn h ALA 72 N 1.52 1.62 -0.18 2.92 0.00 -0.39 0.22 119.26 124.98 1jgn h ALA 72 Ca 0.04 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1jgn h ALA 72 Cb 0.55 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1jgn h ALA 72 CO 0.04 0.26 -0.15 0.28 0.00 0.00 0.00 179.25 179.67 1jgn h VAL 73 N 0.86 1.20 -0.12 0.00 2.07 -0.15 -2.59 116.25 117.53 1jgn h VAL 73 Ca 0.33 -0.91 -0.19 0.00 0.82 0.00 0.00 66.70 66.75 1jgn h VAL 73 Cb 0.21 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 1jgn h VAL 73 CO -0.11 0.28 -0.71 0.00 0.02 0.00 0.00 177.57 177.05 1jgn h ALA 74 N 1.57 0.53 -0.11 1.67 0.00 -0.57 -2.94 119.26 119.42 1jgn h ALA 74 Ca 0.05 -0.59 0.03 0.00 0.00 0.00 0.00 54.91 54.41 1jgn h ALA 74 Cb 0.44 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1jgn h ALA 74 CO 0.03 0.73 0.08 -0.39 0.00 0.00 0.00 179.25 179.70 1jgn h VAL 75 N 0.38 0.89 0.05 0.00 -1.51 -0.65 -0.59 116.25 114.82 1jgn h VAL 75 Ca -0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.44 1jgn h VAL 75 Cb 1.30 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 1jgn h VAL 75 CO 0.13 0.00 -0.02 0.25 -1.23 0.00 0.00 177.57 176.70 1jgn h LEU 76 N 0.00 -0.06 -1.45 4.19 7.12 -1.39 0.10 115.31 123.83 1jgn h LEU 76 Ca 0.05 -0.46 0.05 0.00 0.13 0.00 0.00 57.88 57.65 1jgn h LEU 76 Cb 0.21 0.01 -0.04 0.00 -0.53 0.00 0.00 40.66 40.32 1jgn h LEU 76 CO -0.00 0.45 0.43 1.56 -0.13 0.00 0.00 178.44 180.75 1jgn h GLN 77 N -0.58 0.67 0.00 1.25 1.08 -1.28 0.59 115.11 116.83 1jgn h GLN 77 Ca -0.01 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1jgn h GLN 77 Cb 0.52 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1jgn h GLN 77 CO 0.01 0.44 -0.11 0.00 -0.95 0.00 0.00 178.83 178.22 1jgn h ALA 78 N 1.64 0.94 0.46 3.87 0.00 -1.08 -3.08 119.26 122.00 1jgn h ALA 78 Ca 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1jgn h ALA 78 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1jgn h ALA 78 CO -0.08 0.00 -0.22 1.25 0.00 0.00 0.00 179.25 180.20 1jgn h HIS 79 N 0.00 -0.57 0.00 0.00 -0.00 0.16 -1.39 115.15 113.35 1jgn h HIS 79 Ca 0.00 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.33 1jgn h HIS 79 Cb 0.90 0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 28.49 1jgn h HIS 79 CO 0.00 -0.35 -0.12 1.96 -0.00 0.00 0.00 177.93 179.42 1jgn h GLN 80 N -1.02 0.00 0.15 5.26 4.20 -1.62 -1.14 115.11 120.94 1jgn h GLN 80 Ca -0.06 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 1jgn h GLN 80 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1jgn h GLN 80 CO 0.10 0.12 -0.07 0.00 -0.67 0.00 0.00 178.83 178.30 1jgn h ALA 81 N 1.88 -0.21 0.00 3.87 0.00 -1.56 -1.93 119.26 121.31 1jgn h ALA 81 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1jgn h ALA 81 Cb 0.33 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jgn h ALA 81 CO 0.02 -0.30 0.00 -0.22 0.00 0.00 0.00 179.25 178.75 1jgn h LYS 82 N -0.84 0.00 0.00 0.00 3.11 -1.14 -1.92 116.57 115.77 1jgn h LYS 82 Ca -0.02 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.82 1jgn h LYS 82 Cb 0.53 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.76 1jgn h LYS 82 CO 0.03 0.00 -0.02 1.49 -2.81 0.00 0.00 179.45 178.15 1jgn h GLU 83 N 0.00 0.00 0.00 1.90 4.57 -1.23 -3.33 114.58 116.49 1jgn h GLU 83 Ca 0.00 0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.13 1jgn h GLU 83 Cb 0.49 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.07 1jgn h GLU 83 CO 0.00 0.90 -0.26 0.00 -1.18 0.00 0.00 179.01 178.47 1jgn h ALA 84 N -0.11 1.16 -0.17 2.92 0.00 -1.32 -2.73 119.26 119.02 1jgn h ALA 84 Ca -0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1jgn h ALA 84 Cb 0.91 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1jgn h ALA 84 CO -0.00 0.33 0.08 0.00 0.00 0.00 0.00 179.25 179.65 1jgn n ALA 85 N -2.31 2.99 -0.42 0.00 0.00 -0.73 -4.27 120.51 115.78 1jgn n ALA 85 Ca -0.01 -0.52 -0.13 0.00 0.00 0.00 0.00 53.44 52.78 1jgn n ALA 85 Cb 0.39 -1.06 0.06 0.00 0.00 0.00 0.00 19.45 18.83 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 0.14 1.67 -2.88 0.00 1.13 -1.03 -4.89 117.38 111.52 1jgn n GLN 86 Ca 0.10 -1.44 -0.42 0.00 -1.94 0.00 0.00 57.00 53.29 1jgn n GLN 86 Cb 0.61 -1.56 -0.04 0.00 0.11 0.00 0.00 30.24 29.36 1jgn n GLN 86 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1jgn s LYS 87 N -1.63 3.91 0.00 -1.09 1.02 -1.26 -4.90 119.74 115.79 1jgn s LYS 87 Ca 0.28 0.59 0.13 0.00 0.02 0.00 0.00 55.97 56.99 1jgn s LYS 87 Cb 0.23 -3.76 0.39 0.00 -0.52 0.00 0.00 37.83 34.17 1jgn s LYS 87 CO 0.03 -0.80 1.31 0.00 -0.92 0.00 0.00 175.35 174.97 1jgn n ALA 88 N 6.45 2.45 0.04 5.17 0.00 -1.26 -3.77 120.51 129.59 1jgn n ALA 88 Ca 0.05 -0.62 -0.01 0.00 0.00 0.00 0.00 53.44 52.87 1jgn n ALA 88 Cb 0.48 -0.99 -0.08 0.00 0.00 0.00 0.00 19.45 18.86 1jgn n ALA 88 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 1jgn h VAL 89 N 2.14 0.62 -3.17 0.00 3.04 -2.00 -3.45 116.25 113.42 1jgn h VAL 89 Ca 0.00 -2.14 -0.59 0.00 -1.01 0.00 0.00 66.70 62.97 1jgn h VAL 89 Cb 0.49 2.15 -0.07 0.00 -2.01 0.00 0.00 31.29 31.84 1jgn h VAL 89 CO 0.00 0.35 0.65 0.21 -1.01 0.00 0.00 177.57 177.77 1jgn s ASN 90 N -5.93 6.99 0.00 3.17 3.84 -1.25 -4.97 114.94 116.79 1jgn s ASN 90 Ca -0.02 1.24 0.00 0.00 0.21 0.00 0.00 52.86 54.29 1jgn s ASN 90 Cb 0.08 -2.50 0.00 0.00 -0.55 0.00 0.00 41.25 38.29 1jgn s ASN 90 CO 0.80 -0.60 0.00 -1.20 -2.79 0.00 0.00 177.10 173.32 1jgn n SER 91 N 6.13 0.00 -4.87 -4.21 7.64 -1.26 -4.93 113.62 112.12 1jgn n SER 91 Ca 0.09 0.12 -0.33 0.00 1.01 0.00 0.00 58.87 59.76 1jgn n SER 91 Cb 0.47 -0.13 -0.05 0.00 -1.01 0.00 0.00 64.21 63.49 1jgn n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jgn s ALA 92 N -3.78 3.66 -0.59 -0.43 0.00 -1.26 -5.06 121.76 114.30 1jgn s ALA 92 Ca 0.00 -0.33 0.01 0.00 0.00 0.00 0.00 51.96 51.64 1jgn s ALA 92 Cb 0.00 -2.34 0.15 0.00 0.00 0.00 0.00 23.12 20.93 1jgn s ALA 92 CO 0.00 0.55 0.36 -0.08 0.00 0.00 0.00 175.76 176.59 1jgn s THR 93 N -1.57 3.15 -1.09 0.00 -1.32 -1.26 -4.99 115.64 108.56 1jgn s THR 93 Ca 0.39 -3.22 -0.03 0.00 -1.21 0.00 0.00 61.69 57.62 1jgn s THR 93 Cb -0.13 -3.11 0.29 0.00 -1.51 0.00 0.00 72.50 68.04 1jgn s THR 93 CO 0.20 -0.85 1.77 0.61 -2.21 0.00 0.00 174.62 174.14 1jgn n GLY 94 N 3.20 5.62 3.24 6.08 0.00 -1.26 -4.94 105.19 117.12 1jgn n GLY 94 Ca 0.07 -2.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.15 1jgn n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jgn s VAL 95 N -3.16 4.40 0.01 1.61 1.01 -1.26 -5.08 120.40 117.93 1jgn s VAL 95 Ca 0.38 -1.67 -0.00 0.00 0.00 0.00 0.00 61.98 60.69 1jgn s VAL 95 Cb 0.13 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1jgn s VAL 95 CO -0.03 -0.75 0.01 -0.81 0.00 0.00 0.00 175.10 173.52 1jgn n PRO 96 N 4.97 -0.55 0.00 2.72 -0.04 -1.26 -5.08 135.00 135.76 1jgn n PRO 96 Ca -0.09 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1jgn n PRO 96 Cb 0.41 -0.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 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 -2.28 0.00 -0.34 0.52 -2.24 -1.26 -5.32 114.28 103.36 1jgn n THR 97 Ca 0.00 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1jgn n THR 97 Cb 0.00 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 1jgn n THR 97 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05