#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgn s PRO 2 N 0.00 4.34 -0.25 1.61 0.02 -1.26 -5.12 135.00 134.34 1jgn s PRO 2 Ca 0.00 1.85 -0.29 0.00 0.02 0.00 0.00 61.00 62.58 1jgn s PRO 2 Cb 0.00 -3.49 0.01 0.00 0.02 0.00 0.00 34.50 31.04 1jgn s PRO 2 CO 0.00 -0.46 1.06 -1.17 -0.33 0.00 0.00 177.00 176.10 1jgn s LEU 3 N 1.94 4.06 -0.02 -5.54 1.98 -1.26 -4.89 118.68 114.94 1jgn s LEU 3 Ca 0.60 1.30 0.21 0.00 -2.89 0.00 0.00 54.13 53.36 1jgn s LEU 3 Cb -0.29 -3.54 -0.31 0.00 0.66 0.00 0.00 46.19 42.71 1jgn s LEU 3 CO 0.26 -0.73 0.56 0.61 -1.89 0.00 0.00 176.35 175.16 1jgn n GLY 4 N 3.48 -0.97 3.52 7.98 0.00 -1.26 -4.86 105.19 113.08 1jgn n GLY 4 Ca 0.12 -0.53 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 1jgn n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jgn s SER 5 N -4.14 6.31 -0.39 1.61 0.01 -1.26 -5.02 113.70 110.83 1jgn s SER 5 Ca -0.04 -0.31 -0.28 0.00 1.31 0.00 0.00 55.95 56.62 1jgn s SER 5 Cb 0.14 -2.30 -0.02 0.00 0.21 0.00 0.00 66.02 64.05 1jgn s SER 5 CO 0.88 -0.70 1.80 -2.16 0.41 0.00 0.00 173.24 173.48 1jgn s PRO 6 N 2.65 3.20 -0.32 12.44 0.04 -1.26 -4.97 135.00 146.78 1jgn s PRO 6 Ca 0.21 1.26 -0.17 0.00 0.04 0.00 0.00 61.00 62.33 1jgn s PRO 6 Cb -0.15 -4.23 -0.01 0.00 0.04 0.00 0.00 34.50 30.15 1jgn s PRO 6 CO 0.17 -2.03 0.48 -0.51 0.04 0.00 0.00 177.00 175.16 1jgn s LEU 7 N 7.32 4.24 -0.04 -3.56 2.01 -1.26 -4.93 118.68 122.46 1jgn s LEU 7 Ca 0.77 0.13 0.02 0.00 0.01 0.00 0.00 54.13 55.06 1jgn s LEU 7 Cb -0.20 -2.56 -0.25 0.00 0.01 0.00 0.00 46.19 43.18 1jgn s LEU 7 CO 0.31 -0.38 0.67 0.00 1.01 0.00 0.00 176.35 177.96 1jgn h THR 8 N 5.53 0.92 -0.79 5.49 1.03 -1.94 -3.08 112.91 120.07 1jgn h THR 8 Ca -0.29 -2.66 0.02 0.00 -0.01 0.00 0.00 66.41 63.47 1jgn h THR 8 Cb 1.13 2.58 -0.04 0.00 -1.07 0.00 0.00 68.15 70.75 1jgn h THR 8 CO 0.74 0.73 0.52 0.00 -0.01 0.00 0.00 175.52 177.50 1jgn h ALA 9 N 0.57 1.48 -0.30 0.00 0.00 -1.94 0.52 119.26 119.59 1jgn h ALA 9 Ca -0.30 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 1jgn h ALA 9 Cb 2.01 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 1jgn h ALA 9 CO 0.11 0.46 -0.21 1.03 0.00 0.00 0.00 179.25 180.65 1jgn h SER 10 N 1.02 0.57 -0.59 0.00 0.87 -1.98 -2.55 113.55 110.89 1jgn h SER 10 Ca 0.30 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 1jgn h SER 10 Cb -0.04 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.74 1jgn h SER 10 CO -0.08 0.78 0.13 0.24 -0.53 0.00 0.00 176.83 177.37 1jgn h MET 11 N 0.51 0.98 -0.72 2.24 2.86 -0.89 -2.60 114.93 117.31 1jgn h MET 11 Ca 0.08 -0.23 0.13 0.00 -2.06 0.00 0.00 59.70 57.61 1jgn h MET 11 Cb 0.64 -0.13 -0.09 0.00 0.06 0.00 0.00 31.60 32.08 1jgn h MET 11 CO 0.05 0.89 0.29 -0.07 1.06 0.00 0.00 176.91 179.13 1jgn h LEU 12 N 0.94 0.29 -1.05 1.22 3.38 -0.59 1.31 115.31 120.81 1jgn h LEU 12 Ca 0.20 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 1jgn h LEU 12 Cb 0.37 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1jgn h LEU 12 CO 0.00 0.13 -0.18 0.00 0.09 0.00 0.00 178.44 178.48 1jgn h ALA 13 N 1.51 1.20 -0.55 1.53 0.00 -1.43 -2.74 119.26 118.77 1jgn h ALA 13 Ca 0.39 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jgn h ALA 13 Cb 0.55 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1jgn h ALA 13 CO -0.37 0.51 0.00 0.43 0.00 0.00 0.00 179.25 179.82 1jgn n SER 14 N -4.17 5.24 -3.64 0.00 7.64 0.67 -4.86 113.62 114.51 1jgn n SER 14 Ca 0.00 -2.81 -0.23 0.00 1.01 0.00 0.00 58.87 56.84 1jgn n SER 14 Cb 0.36 -0.64 -0.17 0.00 -1.01 0.00 0.00 64.21 62.75 1jgn n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jgn s ALA 15 N -2.52 0.31 1.16 -0.43 0.00 0.42 -4.99 121.76 115.71 1jgn s ALA 15 Ca 0.52 -0.05 -0.15 0.00 0.00 0.00 0.00 51.96 52.28 1jgn s ALA 15 Cb 0.38 -0.84 0.22 0.00 0.00 0.00 0.00 23.12 22.88 1jgn s ALA 15 CO 0.17 -0.85 0.61 -2.30 0.00 0.00 0.00 175.76 173.40 1jgn n PRO 16 N 5.29 -2.19 0.12 0.00 -0.02 -1.26 -4.69 135.00 132.25 1jgn n PRO 16 Ca -0.05 -0.62 0.14 0.00 -2.02 0.00 0.00 63.50 60.95 1jgn n PRO 16 Cb 0.49 -1.98 0.66 0.00 -0.02 0.00 0.00 33.50 32.65 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 -2.47 0.02 0.00 0.52 0.11 -2.01 0.13 132.00 128.30 1jgn h PRO 17 Ca -0.59 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.52 1jgn h PRO 17 Cb 1.35 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 1jgn h PRO 17 CO 0.45 0.01 0.00 1.04 -0.21 0.00 0.00 178.00 179.29 1jgn n GLN 18 N -4.46 0.11 -0.11 1.05 6.02 -1.26 -2.15 117.38 116.58 1jgn n GLN 18 Ca 0.04 0.30 0.08 0.00 -0.01 0.00 0.00 57.00 57.40 1jgn n GLN 18 Cb 0.35 -1.69 0.28 0.00 1.02 0.00 0.00 30.24 30.20 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 -1.90 1.68 -0.15 -1.09 -0.58 0.47 -4.44 120.64 114.63 1jgn n GLU 19 Ca 0.03 -1.04 -0.04 0.00 -0.42 0.00 0.00 57.16 55.69 1jgn n GLU 19 Cb 0.24 -1.32 0.02 0.00 -0.57 0.00 0.00 31.44 29.81 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 1.90 -0.11 -0.00 3.49 -0.00 -1.54 0.16 115.11 119.01 1jgn h GLN 20 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 1jgn h GLN 20 Cb 0.43 0.02 -0.00 0.00 -0.00 0.00 0.00 27.48 27.93 1jgn h GLN 20 CO 0.00 -0.07 0.00 1.57 -0.00 0.00 0.00 178.83 180.33 1jgn h LYS 21 N -0.11 0.00 0.00 0.06 5.09 -1.77 0.17 116.57 120.02 1jgn h LYS 21 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.97 1jgn h LYS 21 Cb 0.47 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.80 1jgn h LYS 21 CO -0.56 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 177.74 1jgn n GLN 22 N -3.56 0.00 0.00 0.07 7.27 0.53 -4.31 117.38 117.38 1jgn n GLN 22 Ca -0.03 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.09 1jgn n GLN 22 Cb 0.08 -0.71 0.00 0.00 2.41 0.00 0.00 30.24 32.01 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 -0.65 0.00 0.00 3.69 0.00 -1.09 -4.25 117.12 114.82 1jgn n MET 23 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 57.70 57.71 1jgn n MET 23 Cb 0.00 -0.10 0.03 0.00 0.00 0.00 0.00 33.22 33.16 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 -4.76 117.00 114.17 1jgn n LEU 24 Ca 0.00 0.11 0.00 0.00 -0.00 0.00 0.00 56.01 56.12 1jgn n LEU 24 Cb 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 43.42 43.31 1jgn n LEU 24 CO 0.00 -0.10 0.00 0.61 -0.00 0.00 0.00 177.39 177.90 1jgn n GLY 25 N -1.02 3.03 0.02 1.47 0.00 0.61 -1.22 105.19 108.08 1jgn n GLY 25 Ca 0.01 0.10 -0.01 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 -0.04 0.00 1.61 3.07 -1.87 -3.20 114.58 114.15 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 -0.02 0.00 -2.13 -1.40 0.00 0.00 179.01 175.46 1jgn n ARG 27 N -2.42 0.00 0.00 2.33 3.00 -0.72 -4.89 116.66 113.96 1jgn n ARG 27 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 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 -0.27 6.15 4.77 -0.36 -3.40 117.00 123.89 1jgn n LEU 28 Ca 0.00 0.78 0.06 0.00 -0.03 0.00 0.00 56.01 56.82 1jgn n LEU 28 Cb 0.48 -0.28 0.14 0.00 -2.33 0.00 0.00 43.42 41.42 1jgn n LEU 28 CO 0.00 -0.28 0.53 0.33 -1.33 0.00 0.00 177.39 176.64 1jgn n PHE 29 N -1.38 0.33 -0.24 -1.77 -0.00 -1.22 -0.39 117.46 112.78 1jgn n PHE 29 Ca 0.00 0.94 -0.04 0.00 -0.00 0.00 0.00 57.45 58.35 1jgn n PHE 29 Cb 0.00 -0.98 0.07 0.00 -0.00 0.00 0.00 39.48 38.57 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 0.83 -0.10 -7.13 0.11 -1.83 1.20 132.00 125.09 1jgn h PRO 30 Ca 0.39 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.40 1jgn h PRO 30 Cb 0.66 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.58 1jgn h PRO 30 CO -0.77 0.55 -0.13 -0.07 -0.21 0.00 0.00 178.00 177.37 1jgn h LEU 31 N 0.86 0.28 -0.29 2.35 3.38 -0.73 -2.54 115.31 118.62 1jgn h LEU 31 Ca 0.27 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1jgn h LEU 31 Cb 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1jgn h LEU 31 CO -0.10 0.74 0.00 -0.38 0.09 0.00 0.00 178.44 178.79 1jgn n ILE 32 N -4.61 0.71 -0.24 1.22 5.41 -0.73 -2.30 119.36 118.83 1jgn n ILE 32 Ca -0.07 0.09 -0.03 0.00 1.00 0.00 0.00 62.75 63.74 1jgn n ILE 32 Cb 0.36 -0.91 0.15 0.00 -0.71 0.00 0.00 39.64 38.52 1jgn n ILE 32 CO 0.00 0.00 0.00 -0.61 0.00 0.00 0.00 176.55 175.94 1jgn h GLN 33 N 0.00 1.06 -0.07 0.38 -0.00 0.19 1.44 115.11 118.12 1jgn h GLN 33 Ca 0.00 -0.15 -0.10 0.00 -0.00 0.00 0.00 58.65 58.40 1jgn h GLN 33 Cb 0.43 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 27.71 1jgn h GLN 33 CO 0.00 0.82 -0.40 0.00 0.00 0.00 0.00 178.83 179.25 1jgn h ALA 34 N 1.33 1.21 -0.88 3.38 0.00 -1.41 -2.26 119.26 120.63 1jgn h ALA 34 Ca 0.26 -0.39 -0.40 0.00 0.00 0.00 0.00 54.91 54.38 1jgn h ALA 34 Cb 0.11 -0.08 -0.24 0.00 0.00 0.00 0.00 17.79 17.58 1jgn h ALA 34 CO -0.03 0.55 0.49 -1.33 0.00 0.00 0.00 179.25 178.93 1jgn n MET 35 N -4.04 2.74 0.13 0.00 2.81 0.35 -4.62 117.12 114.49 1jgn n MET 35 Ca -0.02 -3.05 0.02 0.00 -1.81 0.00 0.00 57.70 52.85 1jgn n MET 35 Cb 0.46 -2.17 0.38 0.00 -0.71 0.00 0.00 33.22 31.18 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 1.58 0.20 -1.77 2.03 -0.00 0.25 -3.12 115.15 114.31 1jgn h HIS 36 Ca 0.49 -0.03 0.51 0.00 -0.00 0.00 0.00 60.37 61.35 1jgn h HIS 36 Cb 2.63 -0.06 -0.07 0.00 -0.00 0.00 0.00 27.41 29.91 1jgn h HIS 36 CO 1.46 0.37 1.28 -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 -2.18 135.00 132.41 1jgn n PRO 37 Ca -0.01 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1jgn n PRO 37 Cb 0.29 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 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 -3.71 0.00 -2.67 3.45 -1.04 -1.18 -4.99 114.28 104.14 1jgn n THR 38 Ca 0.40 0.06 -0.05 0.00 -2.04 0.00 0.00 64.05 62.43 1jgn n THR 38 Cb 1.81 -0.16 0.03 0.00 -1.82 0.00 0.00 70.33 70.19 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 -0.19 -1.40 -0.40 -4.42 4.77 -0.93 -5.01 117.00 109.42 1jgn n LEU 39 Ca 0.00 -2.35 0.35 0.00 -0.03 0.00 0.00 56.01 53.98 1jgn n LEU 39 Cb 0.00 0.60 0.59 0.00 -2.33 0.00 0.00 43.42 42.28 1jgn n LEU 39 CO 0.00 1.41 1.07 0.00 -1.33 0.00 0.00 177.39 178.53 1jgn n ALA 40 N -0.49 1.17 -0.02 -1.18 0.00 -1.25 -1.18 120.51 117.55 1jgn n ALA 40 Ca -0.19 0.81 -0.15 0.00 0.00 0.00 0.00 53.44 53.91 1jgn n ALA 40 Cb 0.71 -0.94 -0.10 0.00 0.00 0.00 0.00 19.45 19.12 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 -1.09 1.96 0.00 0.00 -1.92 -2.29 103.07 99.73 1jgn h GLY 41 Ca 0.78 0.69 -0.19 0.00 0.00 0.00 0.00 47.33 48.61 1jgn h GLY 41 CO -0.47 -0.19 -0.88 1.70 0.00 0.00 0.00 176.54 176.70 1jgn h LYS 42 N -0.57 0.03 0.05 4.80 1.63 -1.59 -3.32 116.57 117.61 1jgn h LYS 42 Ca 0.03 -0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.82 1jgn h LYS 42 Cb 0.67 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.27 1jgn h LYS 42 CO -0.45 0.89 -0.30 0.82 -3.45 0.00 0.00 179.45 176.97 1jgn h ILE 43 N 0.01 0.35 -0.56 2.00 2.04 -1.17 -2.16 117.51 118.03 1jgn h ILE 43 Ca -0.02 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.95 1jgn h ILE 43 Cb 1.55 0.35 -0.09 0.00 -0.74 0.00 0.00 36.82 37.90 1jgn h ILE 43 CO 0.12 0.00 0.07 0.00 0.00 0.00 0.00 178.15 178.34 1jgn h THR 44 N -0.47 0.61 -0.02 -0.27 1.03 -1.53 -2.14 112.91 110.11 1jgn h THR 44 Ca 0.05 -0.07 0.02 0.00 -0.01 0.00 0.00 66.41 66.41 1jgn h THR 44 Cb 0.54 0.41 -0.06 0.00 -1.07 0.00 0.00 68.15 67.96 1jgn h THR 44 CO -0.22 0.04 -0.53 1.23 -0.01 0.00 0.00 175.52 176.03 1jgn h GLY 45 N 0.19 -1.09 0.64 2.99 0.00 -1.50 0.63 103.07 104.92 1jgn h GLY 45 Ca 0.29 0.66 0.01 0.00 0.00 0.00 0.00 47.33 48.29 1jgn h GLY 45 CO -0.42 -0.23 -0.22 0.00 0.00 0.00 0.00 176.54 175.67 1jgn h MET 46 N -0.66 -0.41 -0.02 4.80 -0.00 -1.13 -1.59 114.93 115.92 1jgn h MET 46 Ca 0.02 0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.75 1jgn h MET 46 Cb 0.72 0.09 0.00 0.00 -0.00 0.00 0.00 31.60 32.41 1jgn h MET 46 CO -0.37 -0.27 0.00 1.28 -0.00 0.00 0.00 176.91 177.55 1jgn n LEU 47 N -5.35 0.02 0.23 -0.10 7.99 -0.83 -3.69 117.00 115.27 1jgn n LEU 47 Ca -0.07 -0.01 0.16 0.00 -0.01 0.00 0.00 56.01 56.08 1jgn n LEU 47 Cb 0.26 -0.01 0.74 0.00 -0.11 0.00 0.00 43.42 44.30 1jgn n LEU 47 CO 0.27 0.01 0.97 0.25 -1.51 0.00 0.00 177.39 177.38 1jgn h LEU 48 N 0.01 0.00 -0.77 2.23 7.12 0.13 -2.39 115.31 121.64 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 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.14 1jgn h LEU 48 CO 0.00 0.00 0.00 -0.62 -0.13 0.00 0.00 178.44 177.69 1jgn n GLU 49 N -2.71 0.74 -2.29 1.25 -0.58 -1.24 -4.80 120.64 111.01 1jgn n GLU 49 Ca -0.00 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.45 1jgn n GLU 49 Cb 0.18 -1.29 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1jgn n GLU 49 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1jgn s ILE 50 N -1.23 4.80 0.69 -3.67 2.07 -0.90 -5.05 121.20 117.90 1jgn s ILE 50 Ca 0.00 0.50 -0.13 0.00 -1.41 0.00 0.00 60.65 59.61 1jgn s ILE 50 Cb 0.00 -3.86 0.01 0.00 0.13 0.00 0.00 42.46 38.74 1jgn s ILE 50 CO 0.00 -0.98 1.09 -1.81 -1.91 0.00 0.00 174.94 171.34 1jgn s ASP 51 N -4.14 5.03 0.06 4.50 1.11 -1.26 -4.94 116.67 117.03 1jgn s ASP 51 Ca 0.51 1.90 0.10 0.00 0.18 0.00 0.00 52.55 55.23 1jgn s ASP 51 Cb -0.11 -2.54 -0.20 0.00 1.07 0.00 0.00 42.92 41.15 1jgn s ASP 51 CO 0.49 -1.68 1.04 0.78 1.18 0.00 0.00 175.17 176.98 1jgn h ASN 52 N -0.32 0.00 0.29 0.27 4.21 -1.97 -2.48 115.58 115.59 1jgn h ASN 52 Ca -0.46 0.00 -0.20 0.00 1.21 0.00 0.00 56.30 56.86 1jgn h ASN 52 Cb 1.24 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.43 1jgn h ASN 52 CO 0.54 0.96 -0.79 0.28 -1.29 0.00 0.00 177.43 177.13 1jgn h SER 53 N 0.00 0.49 1.52 5.81 0.02 -2.00 -3.06 113.55 116.33 1jgn h SER 53 Ca -0.12 -0.34 -0.03 0.00 -0.84 0.00 0.00 61.79 60.46 1jgn h SER 53 Cb 1.84 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 64.23 1jgn h SER 53 CO 0.10 1.10 -0.13 1.05 -1.14 0.00 0.00 176.83 177.81 1jgn h GLU 54 N 0.26 0.00 -0.16 3.45 4.11 -1.96 -3.20 114.58 117.08 1jgn h GLU 54 Ca -0.04 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 1jgn h GLU 54 Cb 1.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 1jgn h GLU 54 CO 0.14 0.13 0.01 1.37 0.07 0.00 0.00 179.01 180.73 1jgn h LEU 55 N 0.00 0.26 -0.66 3.06 8.10 -1.34 -2.82 115.31 121.92 1jgn h LEU 55 Ca -0.00 -0.28 0.07 0.00 0.11 0.00 0.00 57.88 57.77 1jgn h LEU 55 Cb 0.93 -0.07 -0.06 0.00 -0.44 0.00 0.00 40.66 41.02 1jgn h LEU 55 CO 0.02 0.48 0.35 0.25 -4.11 0.00 0.00 178.44 175.42 1jgn h LEU 56 N 0.04 0.49 -1.04 0.17 6.46 -1.55 -1.79 115.31 118.10 1jgn h LEU 56 Ca 0.05 0.04 0.08 0.00 -0.12 0.00 0.00 57.88 57.93 1jgn h LEU 56 Cb 0.34 -0.05 -0.07 0.00 -0.73 0.00 0.00 40.66 40.14 1jgn h LEU 56 CO 0.01 0.31 0.63 -0.74 -0.62 0.00 0.00 178.44 178.03 1jgn h HIS 57 N 0.63 1.15 0.12 1.25 2.76 -1.55 -2.72 115.15 116.79 1jgn h HIS 57 Ca 0.30 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.51 1jgn h HIS 57 Cb 0.23 -0.38 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 1jgn h HIS 57 CO -0.09 0.56 -0.17 0.52 -1.30 0.00 0.00 177.93 177.45 1jgn h MET 58 N 1.10 -0.32 0.00 5.26 2.86 -1.07 0.69 114.93 123.44 1jgn h MET 58 Ca 0.44 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 1jgn h MET 58 Cb 0.26 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1jgn h MET 58 CO -0.19 -0.22 0.00 1.25 1.06 0.00 0.00 176.91 178.81 1jgn h LEU 59 N -0.34 0.00 -0.68 1.22 5.85 -1.42 0.87 115.31 120.81 1jgn h LEU 59 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1jgn h LEU 59 Cb 0.34 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1jgn h LEU 59 CO -0.08 0.00 -0.54 -0.62 -0.34 0.00 0.00 178.44 176.86 1jgn n GLU 60 N -3.03 1.28 -3.84 1.25 1.02 -0.56 -4.70 120.64 112.06 1jgn n GLU 60 Ca -0.02 -0.66 -0.28 0.00 -0.02 0.00 0.00 57.16 56.17 1jgn n GLU 60 Cb 0.10 -1.38 -0.12 0.00 -0.02 0.00 0.00 31.44 30.02 1jgn n GLU 60 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1jgn s SER 61 N -2.36 4.34 0.51 1.62 0.01 0.23 -4.94 113.70 113.10 1jgn s SER 61 Ca 0.14 -3.62 0.18 0.00 1.31 0.00 0.00 55.95 53.96 1jgn s SER 61 Cb 0.15 -1.47 1.26 0.00 0.21 0.00 0.00 66.02 66.17 1jgn s SER 61 CO 0.57 -0.12 2.08 1.55 0.41 0.00 0.00 173.24 177.73 1jgn h PRO 62 N 5.61 0.07 0.00 12.44 0.13 -1.84 0.30 132.00 148.71 1jgn h PRO 62 Ca 0.13 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1jgn h PRO 62 Cb 0.79 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.91 1jgn h PRO 62 CO 0.67 0.05 -0.00 0.93 -0.23 0.00 0.00 178.00 179.41 1jgn h GLU 63 N 0.07 -0.01 0.00 0.86 5.08 -1.92 -2.80 114.58 115.86 1jgn h GLU 63 Ca 0.11 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.33 1jgn h GLU 63 Cb 0.36 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1jgn h GLU 63 CO -0.01 0.87 -0.71 0.77 -1.00 0.00 0.00 179.01 178.94 1jgn h SER 64 N -0.93 0.00 0.07 1.42 0.02 -1.87 -3.00 113.55 109.25 1jgn h SER 64 Ca -0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jgn h SER 64 Cb 0.88 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1jgn h SER 64 CO 0.00 0.71 -0.03 0.25 -1.14 0.00 0.00 176.83 176.61 1jgn h LEU 65 N 0.00 -0.08 -1.83 5.07 7.12 -0.55 -2.87 115.31 122.17 1jgn h LEU 65 Ca -0.01 0.00 0.18 0.00 0.13 0.00 0.00 57.88 58.18 1jgn h LEU 65 Cb 1.27 0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 41.39 1jgn h LEU 65 CO 0.09 0.41 0.49 -0.09 -0.13 0.00 0.00 178.44 179.21 1jgn h ARG 66 N -1.02 0.16 -0.34 1.25 2.43 -1.64 0.56 114.38 115.78 1jgn h ARG 66 Ca -0.01 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.04 1jgn h ARG 66 Cb 0.07 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1jgn h ARG 66 CO 0.02 0.10 -0.25 0.77 -1.51 0.00 0.00 179.97 179.10 1jgn h SER 67 N 0.16 0.68 0.74 -3.80 0.02 -1.63 0.32 113.55 110.04 1jgn h SER 67 Ca 0.34 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1jgn h SER 67 Cb 1.12 -0.19 0.01 0.00 0.14 0.00 0.00 62.40 63.48 1jgn h SER 67 CO -0.05 0.91 -0.36 0.11 -1.14 0.00 0.00 176.83 176.30 1jgn h LYS 68 N 0.58 -0.96 0.00 3.45 1.57 0.29 -2.92 116.57 118.58 1jgn h LYS 68 Ca 0.08 0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1jgn h LYS 68 Cb 0.73 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.26 1jgn h LYS 68 CO 0.06 -0.64 0.00 0.28 -0.57 0.00 0.00 179.45 178.58 1jgn h VAL 69 N -1.26 0.00 -0.19 0.50 2.07 -1.16 -2.20 116.25 114.01 1jgn h VAL 69 Ca -0.10 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.26 1jgn h VAL 69 Cb 0.76 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.67 1jgn h VAL 69 CO 0.17 0.00 -0.09 -0.78 0.02 0.00 0.00 177.57 176.89 1jgn h ASP 70 N 0.00 -0.30 0.40 0.57 3.58 -0.16 0.27 116.42 120.77 1jgn h ASP 70 Ca 0.00 0.07 -0.10 0.00 0.42 0.00 0.00 57.03 57.42 1jgn h ASP 70 Cb 0.20 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 1jgn h ASP 70 CO 0.00 -0.12 -0.45 -0.08 -2.88 0.00 0.00 179.24 175.71 1jgn h GLU 71 N -0.07 0.07 -0.80 0.28 4.57 -1.38 -2.78 114.58 114.47 1jgn h GLU 71 Ca 0.10 -0.03 0.06 0.00 -1.18 0.00 0.00 59.36 58.31 1jgn h GLU 71 Cb 0.22 -0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.75 1jgn h GLU 71 CO -0.23 0.51 0.49 0.00 -1.18 0.00 0.00 179.01 178.59 1jgn h ALA 72 N 1.49 1.08 -0.10 2.92 0.00 -0.56 0.28 119.26 124.37 1jgn h ALA 72 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1jgn h ALA 72 Cb 0.82 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1jgn h ALA 72 CO 0.06 0.22 -0.03 0.28 0.00 0.00 0.00 179.25 179.79 1jgn h VAL 73 N 0.90 1.09 -0.11 0.00 2.07 -0.30 -2.11 116.25 117.79 1jgn h VAL 73 Ca 0.35 -0.35 -0.20 0.00 0.82 0.00 0.00 66.70 67.32 1jgn h VAL 73 Cb 0.15 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1jgn h VAL 73 CO -0.17 0.11 -0.75 0.00 0.02 0.00 0.00 177.57 176.78 1jgn h ALA 74 N 1.84 0.48 -0.11 1.67 0.00 -0.49 -3.00 119.26 119.64 1jgn h ALA 74 Ca 0.03 -0.61 0.03 0.00 0.00 0.00 0.00 54.91 54.37 1jgn h ALA 74 Cb 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jgn h ALA 74 CO 0.01 0.73 0.09 -0.39 0.00 0.00 0.00 179.25 179.69 1jgn h VAL 75 N 0.38 0.73 0.21 0.00 -1.51 -0.15 -1.79 116.25 114.11 1jgn h VAL 75 Ca -0.04 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.42 1jgn h VAL 75 Cb 1.35 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 1jgn h VAL 75 CO 0.14 0.00 -0.10 -0.07 -1.23 0.00 0.00 177.57 176.31 1jgn h LEU 76 N 0.00 -0.23 -1.68 4.19 -0.00 -1.43 0.96 115.31 117.12 1jgn h LEU 76 Ca 0.05 -0.29 0.23 0.00 -0.00 0.00 0.00 57.88 57.87 1jgn h LEU 76 Cb 0.23 0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 40.89 1jgn h LEU 76 CO -0.00 0.28 0.63 1.56 -0.00 0.00 0.00 178.44 180.90 1jgn h GLN 77 N -0.86 0.24 0.07 1.13 1.08 -1.36 0.45 115.11 115.85 1jgn h GLN 77 Ca -0.03 -0.01 -0.25 0.00 -1.45 0.00 0.00 58.65 56.90 1jgn h GLN 77 Cb 0.51 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.87 1jgn h GLN 77 CO 0.05 0.16 -1.22 0.00 -0.95 0.00 0.00 178.83 176.87 1jgn h ALA 78 N 1.59 0.27 -0.14 3.87 0.00 -1.31 -2.91 119.26 120.61 1jgn h ALA 78 Ca 0.47 -0.97 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 1jgn h ALA 78 Cb 1.43 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1jgn h ALA 78 CO -0.13 1.15 0.08 1.25 0.00 0.00 0.00 179.25 181.60 1jgn h HIS 79 N 0.04 0.19 -0.01 0.00 -0.00 0.25 -1.95 115.15 113.67 1jgn h HIS 79 Ca -0.11 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.26 1jgn h HIS 79 Cb 1.90 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 29.25 1jgn h HIS 79 CO 0.03 0.18 0.00 1.04 -0.00 0.00 0.00 177.93 179.19 1jgn n GLN 80 N -4.95 1.23 -0.00 5.26 6.02 -0.35 -3.45 117.38 121.14 1jgn n GLN 80 Ca -0.04 -0.34 -0.00 0.00 -0.01 0.00 0.00 57.00 56.61 1jgn n GLN 80 Cb 0.06 -1.47 -0.00 0.00 1.02 0.00 0.00 30.24 29.85 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 4.06 -0.02 0.00 -1.58 0.00 -1.14 -2.86 119.26 117.71 1jgn h ALA 81 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jgn h ALA 81 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1jgn h ALA 81 CO 0.00 -0.02 0.00 0.36 0.00 0.00 0.00 179.25 179.59 1jgn n LYS 82 N -2.10 0.38 -0.10 0.00 0.00 -1.15 -2.05 118.16 113.15 1jgn n LYS 82 Ca -0.00 0.07 -0.18 0.00 -0.00 0.00 0.00 58.31 58.20 1jgn n LYS 82 Cb 0.00 -1.50 -0.09 0.00 -0.00 0.00 0.00 35.03 33.45 1jgn n LYS 82 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 1jgn n GLU 83 N -1.21 0.54 0.00 -1.58 2.13 -1.22 -4.10 120.64 115.20 1jgn n GLU 83 Ca 0.11 0.52 0.13 0.00 0.66 0.00 0.00 57.16 58.58 1jgn n GLU 83 Cb 0.13 -1.70 0.61 0.00 0.27 0.00 0.00 31.44 30.76 1jgn n GLU 83 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jgn n ALA 84 N -3.59 2.27 0.10 4.31 0.00 -1.08 -2.74 120.51 119.77 1jgn n ALA 84 Ca -0.27 -0.11 -0.07 0.00 0.00 0.00 0.00 53.44 52.99 1jgn n ALA 84 Cb 0.59 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 1jgn n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgn h ALA 85 N 3.06 -0.33 -0.39 0.00 0.00 -1.59 -3.40 119.26 116.61 1jgn h ALA 85 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1jgn h ALA 85 Cb 0.38 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1jgn h ALA 85 CO 0.00 -0.33 0.00 1.04 0.00 0.00 0.00 179.25 179.96 1jgn n GLN 86 N -4.99 0.00 -2.46 0.00 6.02 -1.25 -4.70 117.38 110.00 1jgn n GLN 86 Ca -0.05 0.30 -0.39 0.00 -0.01 0.00 0.00 57.00 56.85 1jgn n GLN 86 Cb 0.18 -0.78 -0.03 0.00 1.02 0.00 0.00 30.24 30.63 1jgn n GLN 86 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1jgn s LYS 87 N -0.87 3.33 0.00 -1.09 -0.14 -1.11 -4.79 119.74 115.07 1jgn s LYS 87 Ca 0.00 -0.76 0.32 0.00 -1.36 0.00 0.00 55.97 54.16 1jgn s LYS 87 Cb 0.00 -5.06 1.82 0.00 -1.68 0.00 0.00 37.83 32.91 1jgn s LYS 87 CO 0.00 -2.39 2.18 0.00 -0.76 0.00 0.00 175.35 174.38 1jgn n ALA 88 N 9.88 2.68 -0.93 5.17 0.00 -1.26 -3.68 120.51 132.37 1jgn n ALA 88 Ca 0.28 -0.22 -0.23 0.00 0.00 0.00 0.00 53.44 53.27 1jgn n ALA 88 Cb 0.50 -1.49 0.09 0.00 0.00 0.00 0.00 19.45 18.56 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 -0.90 2.98 0.19 0.00 0.24 -1.26 -4.35 118.33 115.22 1jgn n VAL 89 Ca 0.23 -1.94 0.08 0.00 -2.04 0.00 0.00 64.34 60.67 1jgn n VAL 89 Cb 0.14 -0.97 0.16 0.00 -1.47 0.00 0.00 33.84 31.70 1jgn n VAL 89 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1jgn h ASN 90 N 1.32 0.00 0.00 -1.34 7.08 -1.91 -3.40 115.58 117.33 1jgn h ASN 90 Ca 0.47 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.69 1jgn h ASN 90 Cb 1.52 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.76 1jgn h ASN 90 CO 1.04 0.25 0.00 -1.54 -2.08 0.00 0.00 177.43 175.10 1jgn n SER 91 N -3.19 0.00 -4.90 6.14 3.41 -1.26 -4.99 113.62 108.83 1jgn n SER 91 Ca 0.02 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.35 1jgn n SER 91 Cb 0.60 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.61 1jgn n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jgn s ALA 92 N -4.23 2.93 0.41 7.33 0.00 -1.26 -5.08 121.76 121.85 1jgn s ALA 92 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 51.96 51.45 1jgn s ALA 92 Cb 0.00 -2.91 -0.02 0.00 0.00 0.00 0.00 23.12 20.20 1jgn s ALA 92 CO 0.00 -1.22 0.62 0.95 0.00 0.00 0.00 175.76 176.11 1jgn s THR 93 N -3.34 4.45 -0.99 0.00 -4.23 -1.26 -4.81 115.64 105.47 1jgn s THR 93 Ca 0.58 -0.47 -0.06 0.00 -1.18 0.00 0.00 61.69 60.56 1jgn s THR 93 Cb -0.11 -3.64 -0.00 0.00 1.34 0.00 0.00 72.50 70.09 1jgn s THR 93 CO 0.49 -0.43 2.80 0.61 -0.54 0.00 0.00 174.62 177.55 1jgn n GLY 94 N -1.96 4.45 0.07 3.99 0.00 -1.26 -4.52 105.19 105.96 1jgn n GLY 94 Ca -0.01 -1.76 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 1jgn n GLY 94 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1jgn h VAL 95 N 2.46 1.35 -3.25 1.61 3.04 -2.04 -3.45 116.25 115.97 1jgn h VAL 95 Ca 0.59 -3.11 -0.55 0.00 -1.01 0.00 0.00 66.70 62.62 1jgn h VAL 95 Cb 0.58 2.68 -0.03 0.00 -2.01 0.00 0.00 31.29 32.51 1jgn h VAL 95 CO 1.22 0.78 0.56 -2.16 -1.01 0.00 0.00 177.57 176.96 1jgn s PRO 96 N -2.66 4.43 0.00 4.17 0.04 -1.26 -4.96 135.00 134.76 1jgn s PRO 96 Ca -0.02 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1jgn s PRO 96 Cb 0.09 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1jgn s PRO 96 CO 0.82 -0.30 0.00 0.25 0.04 0.00 0.00 177.00 177.82 1jgn n THR 97 N 4.44 0.00 -0.75 1.26 -2.24 -1.26 -5.21 114.28 110.52 1jgn n THR 97 Ca 0.09 0.14 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1jgn n THR 97 Cb 0.48 -1.05 0.00 0.00 -2.10 0.00 0.00 70.33 67.67 1jgn n THR 97 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83