#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 3.66 0.47 1.61 0.04 -1.26 -5.01 135.00 134.52 1jgn s PRO 2 Ca 0.00 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 62.46 1jgn s PRO 2 Cb 0.00 -4.05 -0.00 0.00 0.04 0.00 0.00 34.50 30.48 1jgn s PRO 2 CO 0.00 -1.45 0.72 -0.51 0.04 0.00 0.00 177.00 175.79 1jgn s LEU 3 N 5.53 3.58 -0.36 -3.56 1.02 -1.26 -5.07 118.68 118.57 1jgn s LEU 3 Ca 0.70 0.41 -0.11 0.00 0.02 0.00 0.00 54.13 55.14 1jgn s LEU 3 Cb -0.21 -3.28 0.01 0.00 0.02 0.00 0.00 46.19 42.73 1jgn s LEU 3 CO 0.30 -0.75 0.20 -0.83 0.02 0.00 0.00 176.35 175.29 1jgn s GLY 4 N -4.22 1.92 0.21 -3.19 0.00 -1.26 -5.08 107.32 95.70 1jgn s GLY 4 Ca 0.49 -1.59 -0.30 0.00 0.00 0.00 0.00 44.72 43.32 1jgn s GLY 4 CO 0.40 0.80 1.05 -1.35 0.00 0.00 0.00 173.10 174.00 1jgn s SER 5 N 1.60 7.36 0.13 1.64 1.04 -1.26 -5.00 113.70 119.22 1jgn s SER 5 Ca 0.03 2.08 -0.31 0.00 0.48 0.00 0.00 55.95 58.23 1jgn s SER 5 Cb -0.18 -2.61 -0.09 0.00 0.10 0.00 0.00 66.02 63.24 1jgn s SER 5 CO 0.07 -0.11 1.46 -2.16 0.98 0.00 0.00 173.24 173.48 1jgn s PRO 6 N -0.77 4.28 0.00 4.02 0.04 -1.26 -4.97 135.00 136.33 1jgn s PRO 6 Ca 0.46 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.69 1jgn s PRO 6 Cb -0.29 -3.21 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1jgn s PRO 6 CO 0.35 -0.51 0.00 -0.11 0.04 0.00 0.00 177.00 176.78 1jgn n LEU 7 N 3.96 0.90 0.01 -3.56 0.00 -1.26 -4.11 117.00 112.95 1jgn n LEU 7 Ca 0.12 0.17 -0.06 0.00 0.00 0.00 0.00 56.01 56.24 1jgn n LEU 7 Cb 0.41 -0.26 -0.12 0.00 0.00 0.00 0.00 43.42 43.45 1jgn n LEU 7 CO 0.60 -0.26 -0.31 0.00 0.00 0.00 0.00 177.39 177.41 1jgn h THR 8 N 0.00 0.92 -0.92 1.96 1.03 -1.93 -3.10 112.91 110.87 1jgn h THR 8 Ca 0.00 -2.65 0.02 0.00 -0.01 0.00 0.00 66.41 63.77 1jgn h THR 8 Cb 0.00 2.41 -0.05 0.00 -1.07 0.00 0.00 68.15 69.44 1jgn h THR 8 CO 0.00 0.52 0.60 0.00 -0.01 0.00 0.00 175.52 176.64 1jgn h ALA 9 N 1.12 1.38 -0.18 0.00 0.00 -1.94 0.25 119.26 119.89 1jgn h ALA 9 Ca -0.20 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 1jgn h ALA 9 Cb 1.85 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 1jgn h ALA 9 CO 0.08 0.56 -0.47 1.03 0.00 0.00 0.00 179.25 180.45 1jgn h SER 10 N 1.20 0.49 -0.23 0.00 0.87 -1.71 -2.63 113.55 111.54 1jgn h SER 10 Ca 0.35 -0.23 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 1jgn h SER 10 Cb -0.07 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 1jgn h SER 10 CO -0.09 0.88 -0.03 0.24 -0.53 0.00 0.00 176.83 177.31 1jgn h MET 11 N 0.36 0.55 -0.23 2.24 2.86 -1.02 -1.98 114.93 117.71 1jgn h MET 11 Ca 0.02 -0.13 0.06 0.00 -2.06 0.00 0.00 59.70 57.59 1jgn h MET 11 Cb 0.96 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.48 1jgn h MET 11 CO 0.08 0.60 -0.19 -0.07 1.06 0.00 0.00 176.91 178.39 1jgn h LEU 12 N 0.52 -0.60 -1.68 1.22 4.07 -0.20 1.09 115.31 119.74 1jgn h LEU 12 Ca 0.11 0.12 -0.04 0.00 0.08 0.00 0.00 57.88 58.15 1jgn h LEU 12 Cb 0.38 0.30 -0.01 0.00 1.08 0.00 0.00 40.66 42.41 1jgn h LEU 12 CO 0.02 -0.23 -0.18 0.00 -1.08 0.00 0.00 178.44 176.96 1jgn h ALA 13 N 0.93 1.32 -0.59 1.53 0.00 -1.45 -2.29 119.26 118.70 1jgn h ALA 13 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1jgn h ALA 13 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1jgn h ALA 13 CO -0.34 0.23 0.00 0.43 0.00 0.00 0.00 179.25 179.57 1jgn n SER 14 N -3.78 4.78 -2.90 0.00 7.64 0.44 -4.52 113.62 115.28 1jgn n SER 14 Ca -0.02 -2.55 -0.18 0.00 1.01 0.00 0.00 58.87 57.13 1jgn n SER 14 Cb 0.29 -0.58 -0.01 0.00 -1.01 0.00 0.00 64.21 62.90 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 0.88 3.26 -0.02 -0.43 0.00 0.35 -4.97 120.51 119.59 1jgn n ALA 15 Ca 0.25 -3.66 -0.10 0.00 0.00 0.00 0.00 53.44 49.94 1jgn n ALA 15 Cb 0.92 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 19.48 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 2.94 0.06 0.00 0.00 0.11 -1.79 -3.39 132.00 129.93 1jgn h PRO 16 Ca 0.07 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1jgn h PRO 16 Cb 0.95 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1jgn h PRO 16 CO 0.60 0.04 0.00 -0.35 -0.21 0.00 0.00 178.00 178.08 1jgn n PRO 17 N -5.11 1.22 -1.06 1.05 -0.04 -1.26 -4.76 135.00 125.04 1jgn n PRO 17 Ca -0.04 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.10 1jgn n PRO 17 Cb 0.08 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.51 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 2.39 -0.49 0.54 1.13 -1.26 -4.40 117.38 115.28 1jgn n GLN 18 Ca 0.00 -1.83 0.09 0.00 -1.94 0.00 0.00 57.00 53.32 1jgn n GLN 18 Cb 0.00 -2.72 0.30 0.00 0.11 0.00 0.00 30.24 27.93 1jgn n GLN 18 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1jgn n GLU 19 N 4.90 3.40 0.16 -1.09 4.07 -1.26 -4.67 120.64 126.15 1jgn n GLU 19 Ca 0.54 -2.71 -0.13 0.00 -0.06 0.00 0.00 57.16 54.80 1jgn n GLU 19 Cb 0.24 -1.75 -0.07 0.00 -0.06 0.00 0.00 31.44 29.80 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 3.26 -0.64 -0.03 5.31 3.07 -1.82 -1.42 115.11 122.84 1jgn h GLN 20 Ca 0.00 0.04 0.01 0.00 0.09 0.00 0.00 58.65 58.79 1jgn h GLN 20 Cb 1.30 0.15 -0.00 0.00 0.08 0.00 0.00 27.48 29.00 1jgn h GLN 20 CO 0.18 -0.43 0.22 1.57 0.09 0.00 0.00 178.83 180.47 1jgn h LYS 21 N -0.67 0.00 0.00 0.06 5.09 -1.79 0.13 116.57 119.40 1jgn h LYS 21 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.71 1jgn h LYS 21 Cb 0.61 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.94 1jgn h LYS 21 CO -0.11 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 178.19 1jgn n GLN 22 N -3.05 0.00 0.00 0.07 -0.06 -0.59 -4.31 117.38 109.43 1jgn n GLN 22 Ca -0.02 0.07 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 1jgn n GLN 22 Cb 0.29 -0.72 0.00 0.00 -4.06 0.00 0.00 30.24 25.75 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 -0.71 0.00 0.00 3.69 0.00 -0.85 -4.21 117.12 115.04 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 0.06 0.00 0.00 0.00 0.00 33.22 33.18 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 -4.78 117.00 114.16 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 -0.79 3.17 0.05 1.47 0.00 0.02 -1.18 105.19 107.93 1jgn n GLY 25 Ca 0.01 0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.09 0.00 1.61 3.07 -1.89 -2.95 114.58 114.34 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 -0.06 0.00 -2.13 -1.40 0.00 0.00 179.01 175.42 1jgn n ARG 27 N -2.95 0.00 0.00 2.33 3.00 -0.77 -4.89 116.66 113.39 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 0.04 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 4.77 -0.32 -3.43 117.00 123.93 1jgn n LEU 28 Ca 0.00 0.77 0.05 0.00 -0.03 0.00 0.00 56.01 56.80 1jgn n LEU 28 Cb 0.38 -0.27 0.12 0.00 -2.33 0.00 0.00 43.42 41.32 1jgn n LEU 28 CO 0.00 -0.27 0.46 0.33 -1.33 0.00 0.00 177.39 176.58 1jgn n PHE 29 N -1.34 0.28 -0.33 -1.77 -0.00 -1.21 0.06 117.46 113.16 1jgn n PHE 29 Ca 0.00 0.80 -0.04 0.00 -0.00 0.00 0.00 57.45 58.21 1jgn n PHE 29 Cb 0.00 -0.91 0.08 0.00 -0.00 0.00 0.00 39.48 38.65 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 1.24 -0.08 -7.13 0.11 -1.83 1.05 132.00 125.36 1jgn h PRO 30 Ca 0.34 -0.16 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 1jgn h PRO 30 Cb 0.57 -0.24 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 1jgn h PRO 30 CO -0.66 0.92 -0.09 -0.07 -0.21 0.00 0.00 178.00 177.88 1jgn h LEU 31 N 1.24 0.23 -0.33 2.35 3.38 -0.40 -2.42 115.31 119.35 1jgn h LEU 31 Ca 0.31 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1jgn h LEU 31 Cb 0.05 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1jgn h LEU 31 CO -0.05 0.68 0.00 -0.38 0.09 0.00 0.00 178.44 178.78 1jgn n ILE 32 N -4.67 0.73 -0.28 1.22 5.41 -0.75 -2.49 119.36 118.54 1jgn n ILE 32 Ca -0.07 0.10 -0.06 0.00 1.00 0.00 0.00 62.75 63.72 1jgn n ILE 32 Cb 0.33 -0.94 0.06 0.00 -0.71 0.00 0.00 39.64 38.38 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 1.11 0.00 0.38 4.15 0.17 1.41 115.11 122.32 1jgn h GLN 33 Ca 0.00 -0.16 -0.07 0.00 0.77 0.00 0.00 58.65 59.18 1jgn h GLN 33 Cb 0.43 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 1jgn h GLN 33 CO 0.00 0.86 -0.34 0.00 -1.93 0.00 0.00 178.83 177.42 1jgn h ALA 34 N 1.19 1.43 -0.77 3.38 0.00 -1.40 -1.80 119.26 121.30 1jgn h ALA 34 Ca 0.26 -0.31 -0.29 0.00 0.00 0.00 0.00 54.91 54.57 1jgn h ALA 34 Cb 0.12 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 17.68 1jgn h ALA 34 CO -0.03 0.43 0.35 -1.33 0.00 0.00 0.00 179.25 178.66 1jgn n MET 35 N -4.13 3.12 0.08 0.00 2.81 0.09 -4.64 117.12 114.46 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 0.38 -2.16 0.42 0.00 -0.71 0.00 0.00 33.22 31.15 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 2.02 0.34 -1.58 2.03 -0.00 0.27 -3.06 115.15 115.18 1jgn h HIS 36 Ca 0.36 -0.02 0.47 0.00 -0.00 0.00 0.00 60.37 61.18 1jgn h HIS 36 Cb 2.41 -0.11 -0.07 0.00 -0.00 0.00 0.00 27.41 29.64 1jgn h HIS 36 CO 1.33 0.33 1.13 -2.30 -0.00 0.00 0.00 177.93 178.42 1jgn n PRO 37 N -4.37 -0.00 0.00 5.12 -0.02 -1.26 -2.19 135.00 132.27 1jgn n PRO 37 Ca 0.00 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1jgn n PRO 37 Cb 0.18 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 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 -3.68 0.00 -2.68 3.45 -1.04 -1.15 -5.00 114.28 104.17 1jgn n THR 38 Ca 0.37 0.05 -0.05 0.00 -2.04 0.00 0.00 64.05 62.37 1jgn n THR 38 Cb 1.63 -0.14 0.10 0.00 -1.82 0.00 0.00 70.33 70.10 1jgn n THR 38 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 1jgn n LEU 39 N -0.04 -1.56 -0.34 -4.42 -0.00 -0.93 -5.02 117.00 104.68 1jgn n LEU 39 Ca 0.00 -2.43 0.27 0.00 -0.00 0.00 0.00 56.01 53.85 1jgn n LEU 39 Cb 0.00 0.95 0.52 0.00 -0.00 0.00 0.00 43.42 44.89 1jgn n LEU 39 CO 0.00 1.73 1.12 0.00 -0.00 0.00 0.00 177.39 180.24 1jgn h ALA 40 N 2.37 2.09 -0.27 1.96 0.00 -1.77 -1.36 119.26 122.29 1jgn h ALA 40 Ca -0.26 0.20 0.06 0.00 0.00 0.00 0.00 54.91 54.90 1jgn h ALA 40 Cb 1.19 0.19 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 1jgn h ALA 40 CO 0.03 -0.74 -0.40 0.78 0.00 0.00 0.00 179.25 178.91 1jgn h GLY 41 N 0.23 -0.57 1.42 0.00 0.00 -1.91 -1.68 103.07 100.56 1jgn h GLY 41 Ca 0.77 0.51 -0.27 0.00 0.00 0.00 0.00 47.33 48.33 1jgn h GLY 41 CO -0.61 -0.21 -1.13 1.70 0.00 0.00 0.00 176.54 176.29 1jgn h LYS 42 N -0.39 0.49 0.18 4.80 1.63 -1.71 -3.28 116.57 118.29 1jgn h LYS 42 Ca 0.11 -0.62 0.01 0.00 -0.85 0.00 0.00 60.65 59.30 1jgn h LYS 42 Cb 0.59 0.20 -0.04 0.00 -0.60 0.00 0.00 32.23 32.38 1jgn h LYS 42 CO -0.48 1.25 -0.39 0.82 -3.45 0.00 0.00 179.45 177.21 1jgn h ILE 43 N 0.23 0.21 -0.99 2.00 2.04 -1.13 -0.65 117.51 119.21 1jgn h ILE 43 Ca -0.14 0.00 0.23 0.00 1.00 0.00 0.00 64.86 65.95 1jgn h ILE 43 Cb 1.80 0.21 -0.12 0.00 -0.74 0.00 0.00 36.82 37.96 1jgn h ILE 43 CO 0.20 0.00 0.58 0.00 0.00 0.00 0.00 178.15 178.94 1jgn h THR 44 N -0.66 0.58 0.01 -0.27 1.03 -1.45 -2.07 112.91 110.08 1jgn h THR 44 Ca 0.01 -0.21 0.00 0.00 -0.01 0.00 0.00 66.41 66.20 1jgn h THR 44 Cb 0.66 -0.09 -0.01 0.00 -1.07 0.00 0.00 68.15 67.64 1jgn h THR 44 CO -0.19 0.11 -0.07 1.23 -0.01 0.00 0.00 175.52 176.59 1jgn h GLY 45 N 0.62 -1.31 0.52 2.99 0.00 -1.18 0.60 103.07 105.32 1jgn h GLY 45 Ca 0.62 0.58 0.07 0.00 0.00 0.00 0.00 47.33 48.60 1jgn h GLY 45 CO -0.45 -0.47 0.19 0.00 0.00 0.00 0.00 176.54 175.80 1jgn h MET 46 N -0.09 0.36 -0.01 4.80 -0.00 -1.09 0.46 114.93 119.36 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 0.10 -0.08 0.00 0.00 -0.00 0.00 0.00 31.60 31.62 1jgn h MET 46 CO -0.04 0.24 0.00 1.28 -0.00 0.00 0.00 176.91 178.39 1jgn n LEU 47 N -4.99 0.04 0.10 -0.10 7.99 -0.82 -3.64 117.00 115.58 1jgn n LEU 47 Ca 0.06 -0.02 0.09 0.00 -0.01 0.00 0.00 56.01 56.13 1jgn n LEU 47 Cb 0.21 -0.00 0.42 0.00 -0.11 0.00 0.00 43.42 43.93 1jgn n LEU 47 CO 0.24 0.01 0.78 -0.11 -1.51 0.00 0.00 177.39 176.81 1jgn n LEU 48 N -0.61 0.43 -0.46 2.23 -0.00 0.21 -1.93 117.00 116.87 1jgn n LEU 48 Ca 0.07 0.64 0.00 0.00 -0.00 0.00 0.00 56.01 56.72 1jgn n LEU 48 Cb 0.04 -0.62 0.00 0.00 -0.00 0.00 0.00 43.42 42.84 1jgn n LEU 48 CO 0.05 -0.59 0.25 -0.62 -0.00 0.00 0.00 177.39 176.47 1jgn n GLU 49 N -2.01 0.92 -2.15 1.96 1.02 -1.24 -4.84 120.64 114.29 1jgn n GLU 49 Ca 0.01 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.87 1jgn n GLU 49 Cb 0.14 -1.42 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 -1.07 3.87 0.73 -3.67 2.07 -0.81 -5.06 121.20 117.26 1jgn s ILE 50 Ca 0.00 0.33 -0.12 0.00 -1.41 0.00 0.00 60.65 59.45 1jgn s ILE 50 Cb 0.00 -3.56 0.03 0.00 0.13 0.00 0.00 42.46 39.06 1jgn s ILE 50 CO 0.00 -0.66 1.09 -1.81 -1.91 0.00 0.00 174.94 171.64 1jgn s ASP 51 N -4.29 4.85 0.01 4.50 1.01 -1.26 -4.97 116.67 116.51 1jgn s ASP 51 Ca 0.55 1.81 0.13 0.00 0.71 0.00 0.00 52.55 55.74 1jgn s ASP 51 Cb -0.11 -2.52 -0.20 0.00 1.01 0.00 0.00 42.92 41.10 1jgn s ASP 51 CO 0.49 -1.80 0.80 0.78 0.21 0.00 0.00 175.17 175.65 1jgn h ASN 52 N -0.78 0.00 0.67 0.27 4.21 -1.97 -2.78 115.58 115.19 1jgn h ASN 52 Ca -0.44 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 56.92 1jgn h ASN 52 Cb 1.23 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.41 1jgn h ASN 52 CO 0.53 0.91 -0.70 0.28 -1.29 0.00 0.00 177.43 177.16 1jgn h SER 53 N 0.00 0.03 0.91 5.81 0.02 -2.01 -2.99 113.55 115.33 1jgn h SER 53 Ca -0.22 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.55 1jgn h SER 53 Cb 1.88 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 64.39 1jgn h SER 53 CO 0.08 0.72 -0.78 -0.33 -1.14 0.00 0.00 176.83 175.38 1jgn h GLU 54 N 0.02 0.00 -0.28 3.45 4.39 -1.96 -3.17 114.58 117.03 1jgn h GLU 54 Ca -0.01 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.70 1jgn h GLU 54 Cb 1.24 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.87 1jgn h GLU 54 CO 0.09 0.78 0.16 1.37 -1.16 0.00 0.00 179.01 180.25 1jgn h LEU 55 N 0.00 0.26 -0.81 1.33 8.10 -1.34 0.23 115.31 123.08 1jgn h LEU 55 Ca -0.01 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.98 1jgn h LEU 55 Cb 1.45 -0.05 -0.04 0.00 -0.44 0.00 0.00 40.66 41.57 1jgn h LEU 55 CO 0.10 0.19 0.50 0.25 -4.11 0.00 0.00 178.44 175.37 1jgn h LEU 56 N 0.33 0.96 -0.74 0.17 7.12 -1.59 -1.27 115.31 120.29 1jgn h LEU 56 Ca 0.11 -0.06 -0.02 0.00 0.13 0.00 0.00 57.88 58.05 1jgn h LEU 56 Cb -0.00 -0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 39.85 1jgn h LEU 56 CO -0.05 0.73 0.40 0.45 -0.13 0.00 0.00 178.44 179.84 1jgn h HIS 57 N 1.10 1.02 -0.59 1.25 3.86 -1.40 -1.29 115.15 119.10 1jgn h HIS 57 Ca 0.29 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.45 1jgn h HIS 57 Cb -0.06 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.06 1jgn h HIS 57 CO -0.01 0.72 0.26 0.52 0.86 0.00 0.00 177.93 180.29 1jgn h MET 58 N 1.02 0.84 0.00 2.45 2.86 -0.34 0.50 114.93 122.26 1jgn h MET 58 Ca 0.26 -0.11 0.00 0.00 -2.06 0.00 0.00 59.70 57.79 1jgn h MET 58 Cb 0.05 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.55 1jgn h MET 58 CO -0.04 0.67 0.00 1.25 1.06 0.00 0.00 176.91 179.84 1jgn h LEU 59 N 0.83 0.00 -1.24 1.22 6.46 -0.49 -2.66 115.31 119.44 1jgn h LEU 59 Ca 0.20 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.96 1jgn h LEU 59 Cb 0.12 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 1jgn h LEU 59 CO -0.02 0.00 -0.17 -1.84 -0.62 0.00 0.00 178.44 175.78 1jgn n GLU 60 N -3.06 1.52 -3.77 1.25 0.28 -0.18 -4.72 120.64 111.96 1jgn n GLU 60 Ca 0.01 -1.13 -0.28 0.00 -0.16 0.00 0.00 57.16 55.60 1jgn n GLU 60 Cb 0.32 -1.29 -0.11 0.00 1.43 0.00 0.00 31.44 31.79 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 0.38 2.57 -0.22 -1.84 7.64 0.16 -4.94 113.62 117.37 1jgn n SER 61 Ca 0.08 -3.11 0.10 0.00 1.01 0.00 0.00 58.87 56.94 1jgn n SER 61 Cb 0.37 -0.72 0.38 0.00 -1.01 0.00 0.00 64.21 63.23 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 0.68 0.06 1.43 0.11 -1.85 0.32 132.00 138.02 1jgn h PRO 62 Ca 0.17 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.13 1jgn h PRO 62 Cb 0.77 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.73 1jgn h PRO 62 CO 0.68 0.45 -0.46 1.49 -0.21 0.00 0.00 178.00 179.95 1jgn h GLU 63 N 0.70 0.20 0.02 1.05 4.81 -1.92 -2.98 114.58 116.47 1jgn h GLU 63 Ca 0.38 -0.30 -0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1jgn h GLU 63 Cb 0.51 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.99 1jgn h GLU 63 CO -0.15 1.10 -0.01 0.77 -0.73 0.00 0.00 179.01 179.99 1jgn h SER 64 N -0.54 -0.02 0.53 1.04 0.02 -1.88 -3.00 113.55 109.70 1jgn h SER 64 Ca -0.07 -0.53 -0.02 0.00 -0.84 0.00 0.00 61.79 60.33 1jgn h SER 64 Cb 1.31 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.84 1jgn h SER 64 CO 0.09 0.53 -0.35 0.25 -1.14 0.00 0.00 176.83 176.20 1jgn h LEU 65 N -0.59 -0.90 -1.92 5.07 7.12 -0.54 -1.71 115.31 121.84 1jgn h LEU 65 Ca -0.00 0.06 0.24 0.00 0.13 0.00 0.00 57.88 58.30 1jgn h LEU 65 Cb 0.55 0.27 -0.04 0.00 -0.53 0.00 0.00 40.66 40.92 1jgn h LEU 65 CO 0.00 -0.54 0.61 -0.09 -0.13 0.00 0.00 178.44 178.29 1jgn h ARG 66 N -0.85 0.06 -0.34 1.25 2.43 -1.64 0.58 114.38 115.88 1jgn h ARG 66 Ca -0.06 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.96 1jgn h ARG 66 Cb 0.70 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.23 1jgn h ARG 66 CO 0.04 0.04 -0.39 1.03 -1.51 0.00 0.00 179.97 179.18 1jgn h SER 67 N 0.06 0.87 0.64 -3.80 0.87 -1.21 0.82 113.55 111.80 1jgn h SER 67 Ca 0.41 -0.39 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1jgn h SER 67 Cb 1.55 -0.24 0.01 0.00 -0.44 0.00 0.00 62.40 63.28 1jgn h SER 67 CO -0.03 1.15 -0.31 0.11 -0.53 0.00 0.00 176.83 177.22 1jgn h LYS 68 N 0.67 -0.82 0.00 2.24 1.57 0.95 -2.86 116.57 118.32 1jgn h LYS 68 Ca 0.06 0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1jgn h LYS 68 Cb 0.95 0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 1jgn h LYS 68 CO 0.09 -0.51 -0.02 0.28 -0.57 0.00 0.00 179.45 178.72 1jgn h VAL 69 N -1.13 0.17 -0.35 0.50 2.07 -1.21 -1.86 116.25 114.44 1jgn h VAL 69 Ca -0.09 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 67.30 1jgn h VAL 69 Cb 0.69 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 1jgn h VAL 69 CO 0.14 0.02 0.00 -0.78 0.02 0.00 0.00 177.57 176.98 1jgn h ASP 70 N 0.00 -0.14 0.20 0.57 3.58 -0.59 0.35 116.42 120.40 1jgn h ASP 70 Ca -0.00 0.08 -0.11 0.00 0.42 0.00 0.00 57.03 57.42 1jgn h ASP 70 Cb 0.15 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.33 1jgn h ASP 70 CO 0.00 -0.03 -0.40 -0.08 -2.88 0.00 0.00 179.24 175.86 1jgn h GLU 71 N 0.10 0.26 -0.62 0.28 4.81 -1.31 -2.51 114.58 115.59 1jgn h GLU 71 Ca 0.17 -0.12 0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1jgn h GLU 71 Cb 0.23 -0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1jgn h GLU 71 CO -0.28 0.62 0.41 0.00 -0.73 0.00 0.00 179.01 179.02 1jgn h ALA 72 N 1.37 1.73 -0.17 2.92 0.00 -0.40 0.16 119.26 124.87 1jgn h ALA 72 Ca 0.02 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1jgn h ALA 72 Cb 0.80 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1jgn h ALA 72 CO 0.06 0.18 -0.27 0.28 0.00 0.00 0.00 179.25 179.51 1jgn h VAL 73 N 0.67 1.26 -0.23 0.00 2.07 0.01 -2.82 116.25 117.19 1jgn h VAL 73 Ca 0.26 -1.22 -0.17 0.00 0.82 0.00 0.00 66.70 66.39 1jgn h VAL 73 Cb 0.18 1.43 -0.00 0.00 -1.52 0.00 0.00 31.29 31.37 1jgn h VAL 73 CO -0.07 0.37 -0.56 0.00 0.02 0.00 0.00 177.57 177.33 1jgn h ALA 74 N 1.44 0.58 -0.55 1.67 0.00 -0.66 -2.83 119.26 118.90 1jgn h ALA 74 Ca 0.04 -0.52 0.09 0.00 0.00 0.00 0.00 54.91 54.52 1jgn h ALA 74 Cb 0.63 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 1jgn h ALA 74 CO 0.05 0.69 0.37 -0.39 0.00 0.00 0.00 179.25 179.97 1jgn h VAL 75 N 0.54 0.91 -0.01 0.00 -1.51 -0.87 -1.44 116.25 113.87 1jgn h VAL 75 Ca 0.01 -0.13 -0.00 0.00 -1.23 0.00 0.00 66.70 65.34 1jgn h VAL 75 Cb 1.13 0.49 -0.00 0.00 -2.13 0.00 0.00 31.29 30.78 1jgn h VAL 75 CO 0.11 0.07 -0.00 0.25 -1.23 0.00 0.00 177.57 176.77 1jgn h LEU 76 N 0.39 0.01 -1.46 4.19 7.12 -1.43 0.13 115.31 124.27 1jgn h LEU 76 Ca 0.25 -0.47 0.15 0.00 0.13 0.00 0.00 57.88 57.94 1jgn h LEU 76 Cb 0.48 -0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.55 1jgn h LEU 76 CO -0.07 0.48 0.54 1.56 -0.13 0.00 0.00 178.44 180.82 1jgn h GLN 77 N -0.45 0.51 0.00 1.25 1.08 -1.10 0.22 115.11 116.62 1jgn h GLN 77 Ca 0.00 -0.03 -0.15 0.00 -1.45 0.00 0.00 58.65 57.02 1jgn h GLN 77 Cb 0.47 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.77 1jgn h GLN 77 CO 0.00 0.34 -0.76 0.00 -0.95 0.00 0.00 178.83 177.46 1jgn h ALA 78 N 1.62 0.57 0.48 3.87 0.00 -1.21 -3.03 119.26 121.56 1jgn h ALA 78 Ca 0.40 -0.66 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1jgn h ALA 78 Cb 0.81 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1jgn h ALA 78 CO -0.15 0.88 -0.23 1.25 0.00 0.00 0.00 179.25 180.99 1jgn h HIS 79 N 0.00 -0.60 0.00 0.00 6.17 0.15 -2.85 115.15 118.02 1jgn h HIS 79 Ca -0.03 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.04 1jgn h HIS 79 Cb 1.54 0.20 0.00 0.00 2.52 0.00 0.00 27.41 31.67 1jgn h HIS 79 CO 0.00 -0.37 0.00 1.04 0.71 0.00 0.00 177.93 179.31 1jgn n GLN 80 N -4.50 0.11 0.13 5.26 6.02 -0.30 -1.10 117.38 123.01 1jgn n GLN 80 Ca -0.08 0.52 -0.09 0.00 -0.01 0.00 0.00 57.00 57.34 1jgn n GLN 80 Cb 0.26 -1.81 -0.05 0.00 1.02 0.00 0.00 30.24 29.65 1jgn n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jgn h ALA 81 N 2.11 -0.40 0.00 -1.58 0.00 -1.42 -1.62 119.26 116.36 1jgn h ALA 81 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1jgn h ALA 81 Cb 0.11 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1jgn h ALA 81 CO 0.00 -0.41 0.00 0.87 0.00 0.00 0.00 179.25 179.71 1jgn h LYS 82 N -1.02 0.00 0.03 0.00 1.79 -1.31 -3.14 116.57 112.92 1jgn h LYS 82 Ca -0.04 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.39 1jgn h LYS 82 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 1jgn h LYS 82 CO 0.07 0.00 -0.17 1.49 -1.08 0.00 0.00 179.45 179.76 1jgn h GLU 83 N 0.00 0.06 0.00 3.15 4.81 -1.19 -3.28 114.58 118.14 1jgn h GLU 83 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1jgn h GLU 83 Cb 0.78 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.20 1jgn h GLU 83 CO 0.00 1.04 0.00 0.00 -0.73 0.00 0.00 179.01 179.32 1jgn n ALA 84 N -2.62 1.68 0.34 2.92 0.00 -0.61 -3.38 120.51 118.85 1jgn n ALA 84 Ca -0.11 -0.04 -0.15 0.00 0.00 0.00 0.00 53.44 53.14 1jgn n ALA 84 Cb 0.55 -1.25 -0.08 0.00 0.00 0.00 0.00 19.45 18.67 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 2.50 -0.88 -2.67 0.00 0.00 -1.60 -3.43 119.26 113.18 1jgn h ALA 85 Ca 0.00 -0.21 -0.60 0.00 0.00 0.00 0.00 54.91 54.10 1jgn h ALA 85 Cb 0.26 0.34 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1jgn h ALA 85 CO 0.00 -0.88 -0.23 -0.65 0.00 0.00 0.00 179.25 177.50 1jgn s GLN 86 N -4.99 3.83 0.00 0.00 1.11 -1.22 -4.98 119.66 113.41 1jgn s GLN 86 Ca -0.15 0.29 0.26 0.00 0.01 0.00 0.00 55.36 55.77 1jgn s GLN 86 Cb 0.02 -3.10 0.77 0.00 -1.01 0.00 0.00 33.01 29.68 1jgn s GLN 86 CO 0.49 0.62 1.57 1.63 0.01 0.00 0.00 175.29 179.62 1jgn n LYS 87 N 1.35 0.61 -2.84 2.91 5.02 -1.26 -4.74 118.16 119.21 1jgn n LYS 87 Ca -0.11 -0.34 -0.43 0.00 -2.02 0.00 0.00 58.31 55.41 1jgn n LYS 87 Cb 0.52 -1.49 -0.04 0.00 -0.02 0.00 0.00 35.03 34.00 1jgn n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jgn s ALA 88 N -2.62 3.10 0.54 7.82 0.00 -1.26 -5.02 121.76 124.31 1jgn s ALA 88 Ca 0.22 -1.75 0.08 0.00 0.00 0.00 0.00 51.96 50.50 1jgn s ALA 88 Cb 0.19 -3.87 0.06 0.00 0.00 0.00 0.00 23.12 19.50 1jgn s ALA 88 CO 0.56 -2.77 0.62 0.14 0.00 0.00 0.00 175.76 174.31 1jgn s VAL 89 N 4.16 2.11 -0.08 0.00 -7.23 -1.26 -5.11 120.40 112.99 1jgn s VAL 89 Ca 0.24 -1.18 -0.14 0.00 -1.81 0.00 0.00 61.98 59.09 1jgn s VAL 89 Cb -0.16 -2.28 -0.05 0.00 0.56 0.00 0.00 36.38 34.45 1jgn s VAL 89 CO 0.11 0.00 0.36 0.20 -0.31 0.00 0.00 175.10 175.46 1jgn s ASN 90 N -4.48 6.63 -0.20 4.85 0.01 -1.26 -5.04 114.94 115.45 1jgn s ASN 90 Ca 0.52 0.75 -0.29 0.00 -0.71 0.00 0.00 52.86 53.13 1jgn s ASN 90 Cb -0.05 -2.22 -0.02 0.00 0.41 0.00 0.00 41.25 39.37 1jgn s ASN 90 CO 0.32 0.21 1.49 -0.44 -1.51 0.00 0.00 177.10 177.17 1jgn s SER 91 N -0.29 6.58 0.09 -1.22 0.01 -1.26 -4.98 113.70 112.63 1jgn s SER 91 Ca 0.21 1.63 -0.30 0.00 1.31 0.00 0.00 55.95 58.80 1jgn s SER 91 Cb -0.15 -2.53 -0.06 0.00 0.21 0.00 0.00 66.02 63.49 1jgn s SER 91 CO 0.09 -1.08 1.06 0.00 0.41 0.00 0.00 173.24 173.72 1jgn s ALA 92 N 4.56 3.29 -0.24 1.44 0.00 -1.26 -4.95 121.76 124.61 1jgn s ALA 92 Ca 0.65 0.70 0.10 0.00 0.00 0.00 0.00 51.96 53.42 1jgn s ALA 92 Cb -0.24 -3.36 0.44 0.00 0.00 0.00 0.00 23.12 19.97 1jgn s ALA 92 CO 0.25 -0.23 1.26 2.41 0.00 0.00 0.00 175.76 179.46 1jgn n THR 93 N 3.22 2.32 -3.10 0.00 -1.04 -1.26 -4.91 114.28 109.51 1jgn n THR 93 Ca 0.05 -3.29 -0.44 0.00 -2.04 0.00 0.00 64.05 58.33 1jgn n THR 93 Cb 0.48 -0.37 0.00 0.00 -1.82 0.00 0.00 70.33 68.62 1jgn n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1jgn n GLY 94 N -1.07 4.20 0.09 3.41 0.00 -1.26 -4.78 105.19 105.78 1jgn n GLY 94 Ca 0.25 -2.41 -0.17 0.00 0.00 0.00 0.00 46.02 43.69 1jgn n GLY 94 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jgn h VAL 95 N 3.87 1.05 0.00 1.61 2.07 -2.02 -3.38 116.25 119.45 1jgn h VAL 95 Ca 0.24 -2.08 -0.06 0.00 0.82 0.00 0.00 66.70 65.62 1jgn h VAL 95 Cb 0.81 2.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.84 1jgn h VAL 95 CO 1.18 0.36 -0.29 1.55 0.02 0.00 0.00 177.57 180.39 1jgn h PRO 96 N -1.00 0.00 -4.44 1.57 0.13 -2.05 -3.38 132.00 122.84 1jgn h PRO 96 Ca -0.21 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.21 1jgn h PRO 96 Cb 1.10 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 31.94 1jgn h PRO 96 CO -0.13 0.29 -0.46 0.95 -0.23 0.00 0.00 178.00 178.42 1jgn s THR 97 N -4.35 4.19 -0.77 1.56 -4.23 -1.26 -5.32 115.64 105.46 1jgn s THR 97 Ca -0.03 -1.46 0.06 0.00 -1.18 0.00 0.00 61.69 59.08 1jgn s THR 97 Cb 0.15 -3.59 0.05 0.00 1.34 0.00 0.00 72.50 70.44 1jgn s THR 97 CO 0.71 -0.54 0.69 0.52 -0.54 0.00 0.00 174.62 175.46