#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 0.00 -6.08 1.61 0.11 -2.11 -3.40 132.00 122.13 1jgn h PRO 2 Ca 0.00 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.59 1jgn h PRO 2 Cb 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.08 1jgn h PRO 2 CO 0.00 0.00 1.32 -0.51 -0.21 0.00 0.00 178.00 178.60 1jgn s LEU 3 N -7.45 3.36 -0.78 2.35 1.43 -1.26 -4.93 118.68 111.39 1jgn s LEU 3 Ca -0.05 0.58 -0.21 0.00 -1.03 0.00 0.00 54.13 53.42 1jgn s LEU 3 Cb 0.15 -2.82 0.09 0.00 0.03 0.00 0.00 46.19 43.64 1jgn s LEU 3 CO 0.53 -2.17 1.06 -0.83 0.23 0.00 0.00 176.35 175.17 1jgn s GLY 4 N 7.38 1.57 -0.44 -3.19 0.00 -1.26 -5.00 107.32 106.37 1jgn s GLY 4 Ca 0.70 -2.21 -0.24 0.00 0.00 0.00 0.00 44.72 42.96 1jgn s GLY 4 CO 0.24 2.09 0.84 -0.56 0.00 0.00 0.00 173.10 175.71 1jgn s SER 5 N 3.75 6.46 -0.07 1.64 0.01 -1.26 -5.00 113.70 119.24 1jgn s SER 5 Ca 0.28 0.04 -0.32 0.00 1.31 0.00 0.00 55.95 57.25 1jgn s SER 5 Cb -0.11 -2.41 -0.10 0.00 0.21 0.00 0.00 66.02 63.61 1jgn s SER 5 CO 0.02 -0.94 1.97 -2.65 0.41 0.00 0.00 173.24 172.04 1jgn n PRO 6 N 6.85 2.36 -0.00 12.44 -0.02 -1.26 -4.90 135.00 150.47 1jgn n PRO 6 Ca 0.04 0.84 -0.00 0.00 -2.02 0.00 0.00 63.50 62.36 1jgn n PRO 6 Cb 0.48 -2.84 -0.00 0.00 -0.02 0.00 0.00 33.50 31.13 1jgn n PRO 6 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jgn n LEU 7 N 7.67 0.08 0.02 2.45 4.77 -1.26 -4.30 117.00 126.43 1jgn n LEU 7 Ca 0.23 0.09 -0.04 0.00 -0.03 0.00 0.00 56.01 56.26 1jgn n LEU 7 Cb 0.35 -0.51 -0.10 0.00 -2.33 0.00 0.00 43.42 40.82 1jgn n LEU 7 CO 0.71 -0.49 -0.27 0.00 -1.33 0.00 0.00 177.39 176.00 1jgn h THR 8 N -0.04 0.84 -0.84 -5.08 1.03 -1.95 -3.10 112.91 103.77 1jgn h THR 8 Ca 0.00 -2.51 0.02 0.00 -0.01 0.00 0.00 66.41 63.91 1jgn h THR 8 Cb 0.03 2.34 -0.04 0.00 -1.07 0.00 0.00 68.15 69.41 1jgn h THR 8 CO 0.00 0.48 0.56 0.00 -0.01 0.00 0.00 175.52 176.54 1jgn h ALA 9 N 1.19 1.43 -0.13 0.00 0.00 -1.94 0.25 119.26 120.06 1jgn h ALA 9 Ca -0.18 -0.05 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1jgn h ALA 9 Cb 1.78 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1jgn h ALA 9 CO 0.07 0.51 -0.55 1.03 0.00 0.00 0.00 179.25 180.31 1jgn h SER 10 N 1.10 0.43 -0.15 0.00 0.87 -1.75 -2.64 113.55 111.41 1jgn h SER 10 Ca 0.32 -0.23 -0.05 0.00 -1.23 0.00 0.00 61.79 60.60 1jgn h SER 10 Cb -0.06 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.76 1jgn h SER 10 CO -0.08 0.89 -0.05 0.24 -0.53 0.00 0.00 176.83 177.30 1jgn h MET 11 N 0.30 0.45 -0.06 2.24 2.86 -0.97 -1.49 114.93 118.27 1jgn h MET 11 Ca 0.01 -0.10 0.04 0.00 -2.06 0.00 0.00 59.70 57.58 1jgn h MET 11 Cb 1.05 -0.06 -0.05 0.00 0.06 0.00 0.00 31.60 32.60 1jgn h MET 11 CO 0.09 0.53 -0.29 -0.07 1.06 0.00 0.00 176.91 178.23 1jgn h LEU 12 N 0.43 -0.89 -1.65 1.22 4.07 -0.21 1.06 115.31 119.35 1jgn h LEU 12 Ca 0.09 0.13 -0.04 0.00 0.08 0.00 0.00 57.88 58.14 1jgn h LEU 12 Cb 0.37 0.37 -0.01 0.00 1.08 0.00 0.00 40.66 42.48 1jgn h LEU 12 CO 0.02 -0.35 -0.19 0.00 -1.08 0.00 0.00 178.44 176.84 1jgn h ALA 13 N 0.40 1.28 -0.63 1.53 0.00 -1.46 -2.56 119.26 117.83 1jgn h ALA 13 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jgn h ALA 13 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1jgn h ALA 13 CO -0.29 0.23 0.00 0.43 0.00 0.00 0.00 179.25 179.63 1jgn n SER 14 N -3.72 4.51 -3.78 0.00 7.64 -0.05 -4.87 113.62 113.35 1jgn n SER 14 Ca -0.02 -2.38 -0.24 0.00 1.01 0.00 0.00 58.87 57.24 1jgn n SER 14 Cb 0.30 -0.54 -0.17 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 s ALA 15 N -1.72 0.82 1.11 -0.43 0.00 0.35 -4.96 121.76 116.93 1jgn s ALA 15 Ca 0.49 -0.28 -0.15 0.00 0.00 0.00 0.00 51.96 52.02 1jgn s ALA 15 Cb 0.31 -0.85 0.18 0.00 0.00 0.00 0.00 23.12 22.76 1jgn s ALA 15 CO 0.25 -0.59 0.61 -2.30 0.00 0.00 0.00 175.76 173.72 1jgn n PRO 16 N 5.11 -1.74 -0.28 0.00 -0.02 -1.26 -4.75 135.00 132.06 1jgn n PRO 16 Ca -0.08 -0.48 0.11 0.00 -2.02 0.00 0.00 63.50 61.03 1jgn n PRO 16 Cb 0.49 -1.99 0.36 0.00 -0.02 0.00 0.00 33.50 32.34 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 -2.28 0.71 0.00 0.52 0.11 -2.01 0.20 132.00 129.25 1jgn h PRO 17 Ca -0.55 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.52 1jgn h PRO 17 Cb 1.33 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1jgn h PRO 17 CO 0.43 0.47 0.00 1.96 -0.21 0.00 0.00 178.00 180.65 1jgn h GLN 18 N 0.73 0.00 -0.61 1.05 4.20 -2.03 -2.69 115.11 115.75 1jgn h GLN 18 Ca 0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.16 1jgn h GLN 18 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1jgn h GLN 18 CO -0.21 0.00 0.00 -1.91 -0.67 0.00 0.00 178.83 176.04 1jgn n GLU 19 N -2.87 1.78 0.01 1.46 4.07 0.69 -4.15 120.64 121.63 1jgn n GLU 19 Ca 0.02 -0.76 -0.12 0.00 -0.06 0.00 0.00 57.16 56.24 1jgn n GLU 19 Cb 0.33 -1.48 -0.06 0.00 -0.06 0.00 0.00 31.44 30.17 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 1.06 0.07 -0.05 5.31 -0.00 -1.53 -1.85 115.11 118.12 1jgn h GLN 20 Ca 0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.66 1jgn h GLN 20 Cb 0.63 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.48 28.09 1jgn h GLN 20 CO 0.08 0.09 0.17 1.57 -0.00 0.00 0.00 178.83 180.74 1jgn h LYS 21 N 0.03 0.00 0.00 0.06 5.09 -1.70 -0.59 116.57 119.47 1jgn h LYS 21 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.76 1jgn h LYS 21 Cb 0.04 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.37 1jgn h LYS 21 CO -0.00 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 178.30 1jgn n GLN 22 N -3.24 0.00 0.00 0.07 -0.06 -0.71 -4.36 117.38 109.08 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 0.25 -0.63 0.00 0.00 -4.06 0.00 0.00 30.24 25.80 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 -0.48 0.00 0.00 3.69 0.00 -1.14 -4.20 117.12 114.99 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 -0.13 0.00 0.00 0.00 0.00 0.00 33.22 33.09 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 -4.79 117.00 114.14 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 -0.92 3.17 0.01 1.47 0.00 -0.23 -1.42 105.19 107.27 1jgn n GLY 25 Ca 0.00 0.08 -0.00 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 -0.02 0.00 1.61 3.07 -1.85 -3.09 114.58 114.29 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 -2.26 0.00 0.01 2.33 3.00 -0.80 -4.93 116.66 114.02 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 -0.07 0.00 0.00 0.00 177.63 177.56 1jgn h LEU 28 N 0.00 -0.03 -0.90 6.15 4.07 -1.57 -3.24 115.31 119.80 1jgn h LEU 28 Ca 0.00 0.00 0.20 0.00 0.08 0.00 0.00 57.88 58.16 1jgn h LEU 28 Cb 0.96 0.01 -0.17 0.00 1.08 0.00 0.00 40.66 42.54 1jgn h LEU 28 CO 0.00 -0.02 -0.15 0.33 -1.08 0.00 0.00 178.44 177.52 1jgn n PHE 29 N -2.10 0.40 -0.22 1.13 -0.00 -1.21 -0.76 117.46 114.69 1jgn n PHE 29 Ca -0.00 1.09 -0.04 0.00 -0.00 0.00 0.00 57.45 58.49 1jgn n PHE 29 Cb 0.01 -1.06 0.06 0.00 -0.00 0.00 0.00 39.48 38.49 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 0.77 -0.13 -7.13 0.11 -1.83 1.10 132.00 124.89 1jgn h PRO 30 Ca 0.46 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.46 1jgn h PRO 30 Cb 0.79 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.73 1jgn h PRO 30 CO -0.90 0.51 -0.20 -0.07 -0.21 0.00 0.00 178.00 177.13 1jgn h LEU 31 N 0.79 0.40 -0.20 2.35 3.38 -0.97 -2.62 115.31 118.44 1jgn h LEU 31 Ca 0.25 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1jgn h LEU 31 Cb -0.01 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1jgn h LEU 31 CO -0.09 0.85 0.00 -0.38 0.09 0.00 0.00 178.44 178.91 1jgn n ILE 32 N -4.51 0.62 -0.31 1.22 5.41 -0.62 -2.46 119.36 118.71 1jgn n ILE 32 Ca -0.07 0.04 -0.04 0.00 1.00 0.00 0.00 62.75 63.68 1jgn n ILE 32 Cb 0.41 -0.82 0.09 0.00 -0.71 0.00 0.00 39.64 38.61 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 1.22 -0.09 0.38 4.15 0.17 1.32 115.11 122.25 1jgn h GLN 33 Ca 0.00 -0.17 -0.09 0.00 0.77 0.00 0.00 58.65 59.17 1jgn h GLN 33 Cb 0.47 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 1jgn h GLN 33 CO 0.00 0.92 -0.33 0.00 -1.93 0.00 0.00 178.83 177.49 1jgn h ALA 34 N 1.26 1.27 -0.88 3.38 0.00 -1.44 -2.09 119.26 120.76 1jgn h ALA 34 Ca 0.30 -0.34 -0.38 0.00 0.00 0.00 0.00 54.91 54.48 1jgn h ALA 34 Cb 0.09 -0.08 -0.23 0.00 0.00 0.00 0.00 17.79 17.57 1jgn h ALA 34 CO -0.04 0.50 0.48 -1.33 0.00 0.00 0.00 179.25 178.86 1jgn n MET 35 N -4.10 2.93 0.12 0.00 2.81 0.26 -4.60 117.12 114.53 1jgn n MET 35 Ca -0.01 -3.05 0.02 0.00 -1.81 0.00 0.00 57.70 52.84 1jgn n MET 35 Cb 0.41 -2.20 0.36 0.00 -0.71 0.00 0.00 33.22 31.08 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 1.77 0.24 -1.38 2.03 -0.00 0.23 -3.19 115.15 114.85 1jgn h HIS 36 Ca 0.47 -0.03 0.43 0.00 -0.00 0.00 0.00 60.37 61.23 1jgn h HIS 36 Cb 2.63 -0.06 -0.08 0.00 -0.00 0.00 0.00 27.41 29.90 1jgn h HIS 36 CO 1.46 0.41 0.96 -2.30 -0.00 0.00 0.00 177.93 178.46 1jgn n PRO 37 N -4.22 -0.01 0.00 5.12 -0.02 -1.26 -1.97 135.00 132.64 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 0.31 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 -3.84 0.00 -2.68 3.45 -1.04 -1.20 -4.98 114.28 103.99 1jgn n THR 38 Ca 0.34 0.07 -0.05 0.00 -2.04 0.00 0.00 64.05 62.37 1jgn n THR 38 Cb 1.46 -0.16 0.05 0.00 -1.82 0.00 0.00 70.33 69.86 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 -0.34 -1.46 -0.30 -4.42 -0.00 -0.83 -5.02 117.00 104.63 1jgn n LEU 39 Ca 0.00 -2.40 0.23 0.00 -0.00 0.00 0.00 56.01 53.84 1jgn n LEU 39 Cb 0.00 0.68 0.44 0.00 -0.00 0.00 0.00 43.42 44.53 1jgn n LEU 39 CO 0.00 1.50 0.88 0.00 -0.00 0.00 0.00 177.39 179.77 1jgn n ALA 40 N -0.27 0.76 -0.12 1.96 0.00 -1.23 -0.39 120.51 121.22 1jgn n ALA 40 Ca -0.14 0.95 -0.05 0.00 0.00 0.00 0.00 53.44 54.20 1jgn n ALA 40 Cb 0.72 -0.85 0.02 0.00 0.00 0.00 0.00 19.45 19.34 1jgn n ALA 40 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jgn h GLY 41 N 0.00 0.34 1.48 0.00 0.00 -1.91 -1.97 103.07 101.01 1jgn h GLY 41 Ca 0.69 0.09 -0.25 0.00 0.00 0.00 0.00 47.33 47.86 1jgn h GLY 41 CO -0.77 -0.13 -1.07 1.70 0.00 0.00 0.00 176.54 176.28 1jgn h LYS 42 N 0.05 0.45 0.28 4.80 1.63 -1.15 -3.13 116.57 119.49 1jgn h LYS 42 Ca 0.20 -0.54 -0.00 0.00 -0.85 0.00 0.00 60.65 59.45 1jgn h LYS 42 Cb 0.29 0.17 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 1jgn h LYS 42 CO -0.37 1.20 -0.38 0.82 -3.45 0.00 0.00 179.45 177.26 1jgn h ILE 43 N 0.22 0.00 -0.83 2.00 2.04 -1.04 -1.84 117.51 118.06 1jgn h ILE 43 Ca -0.11 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.94 1jgn h ILE 43 Cb 1.73 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.69 1jgn h ILE 43 CO 0.19 0.00 0.29 0.00 0.00 0.00 0.00 178.15 178.63 1jgn h THR 44 N -0.69 0.49 -0.04 -0.27 1.03 -1.50 -2.39 112.91 109.55 1jgn h THR 44 Ca -0.03 -0.12 0.01 0.00 -0.01 0.00 0.00 66.41 66.26 1jgn h THR 44 Cb 0.62 0.12 -0.01 0.00 -1.07 0.00 0.00 68.15 67.81 1jgn h THR 44 CO -0.11 0.06 -0.12 1.23 -0.01 0.00 0.00 175.52 176.58 1jgn h GLY 45 N 0.35 -1.51 0.48 2.99 0.00 -1.30 0.55 103.07 104.62 1jgn h GLY 45 Ca 0.49 0.70 0.01 0.00 0.00 0.00 0.00 47.33 48.53 1jgn h GLY 45 CO -0.52 -0.53 -0.37 0.00 0.00 0.00 0.00 176.54 175.12 1jgn h MET 46 N -0.12 -0.66 -0.74 4.80 -0.00 -1.07 -1.25 114.93 115.89 1jgn h MET 46 Ca 0.01 0.05 0.00 0.00 -0.00 0.00 0.00 59.70 59.75 1jgn h MET 46 Cb 0.15 0.15 0.00 0.00 -0.00 0.00 0.00 31.60 31.90 1jgn h MET 46 CO -0.10 -0.44 0.00 1.28 -0.00 0.00 0.00 176.91 177.65 1jgn n LEU 47 N -5.46 0.74 0.24 -0.10 4.32 -0.93 -3.62 117.00 112.20 1jgn n LEU 47 Ca -0.08 -0.37 0.17 0.00 -0.02 0.00 0.00 56.01 55.70 1jgn n LEU 47 Cb 0.37 -0.37 0.75 0.00 -1.62 0.00 0.00 43.42 42.54 1jgn n LEU 47 CO 0.24 0.19 0.98 0.25 -1.22 0.00 0.00 177.39 177.83 1jgn h LEU 48 N 0.00 0.00 -1.00 2.23 7.12 0.14 -2.59 115.31 121.21 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 0.37 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.50 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 -2.78 0.73 -2.18 1.25 1.02 -1.24 -4.74 120.64 112.70 1jgn n GLU 49 Ca -0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 1jgn n GLU 49 Cb 0.20 -1.36 0.02 0.00 -0.02 0.00 0.00 31.44 30.28 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 -1.00 4.08 0.63 -3.67 2.07 -0.98 -5.05 121.20 117.28 1jgn s ILE 50 Ca 0.00 0.37 -0.15 0.00 -1.41 0.00 0.00 60.65 59.46 1jgn s ILE 50 Cb 0.00 -3.63 -0.01 0.00 0.13 0.00 0.00 42.46 38.95 1jgn s ILE 50 CO 0.00 -0.74 1.09 -1.81 -1.91 0.00 0.00 174.94 171.58 1jgn s ASP 51 N -4.26 5.35 0.16 4.50 1.11 -1.26 -4.92 116.67 117.34 1jgn s ASP 51 Ca 0.54 1.95 0.12 0.00 0.18 0.00 0.00 52.55 55.34 1jgn s ASP 51 Cb -0.11 -2.55 -0.09 0.00 1.07 0.00 0.00 42.92 41.24 1jgn s ASP 51 CO 0.49 -1.47 1.22 0.78 1.18 0.00 0.00 175.17 177.37 1jgn h ASN 52 N 0.20 0.00 0.47 0.27 4.21 -1.97 -2.54 115.58 116.23 1jgn h ASN 52 Ca -0.47 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 56.87 1jgn h ASN 52 Cb 1.24 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.43 1jgn h ASN 52 CO 0.55 0.74 -0.75 0.28 -1.29 0.00 0.00 177.43 176.96 1jgn h SER 53 N 0.00 0.28 0.89 5.81 0.02 -2.01 -3.06 113.55 115.47 1jgn h SER 53 Ca -0.06 -0.19 -0.14 0.00 -0.84 0.00 0.00 61.79 60.56 1jgn h SER 53 Cb 1.61 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 64.05 1jgn h SER 53 CO 0.09 0.93 -0.68 -0.33 -1.14 0.00 0.00 176.83 175.69 1jgn h GLU 54 N 0.15 0.00 -0.31 3.45 5.08 -1.95 -3.19 114.58 117.81 1jgn h GLU 54 Ca -0.03 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1jgn h GLU 54 Cb 1.33 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.56 1jgn h GLU 54 CO 0.12 0.68 0.20 1.37 -1.00 0.00 0.00 179.01 180.38 1jgn h LEU 55 N 0.00 0.35 -0.25 1.33 8.10 -1.35 -1.09 115.31 122.40 1jgn h LEU 55 Ca -0.01 -0.01 0.03 0.00 0.11 0.00 0.00 57.88 58.01 1jgn h LEU 55 Cb 1.31 -0.08 -0.03 0.00 -0.44 0.00 0.00 40.66 41.42 1jgn h LEU 55 CO 0.09 0.25 0.07 0.25 -4.11 0.00 0.00 178.44 174.99 1jgn h LEU 56 N 0.42 0.05 -1.00 0.17 5.85 -1.55 -0.64 115.31 118.60 1jgn h LEU 56 Ca 0.12 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.93 1jgn h LEU 56 Cb -0.04 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 1jgn h LEU 56 CO -0.03 0.06 0.64 -0.74 -0.34 0.00 0.00 178.44 178.03 1jgn h HIS 57 N 0.17 1.19 -0.62 1.25 2.76 -1.47 -0.76 115.15 117.67 1jgn h HIS 57 Ca 0.11 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.25 1jgn h HIS 57 Cb 0.09 -0.39 -0.03 0.00 1.55 0.00 0.00 27.41 28.64 1jgn h HIS 57 CO -0.14 0.62 0.16 0.52 -1.30 0.00 0.00 177.93 177.79 1jgn h MET 58 N 1.17 0.98 0.00 5.26 2.86 -0.46 0.20 114.93 124.93 1jgn h MET 58 Ca 0.43 -0.23 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 1jgn h MET 58 Cb 0.17 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.70 1jgn h MET 58 CO -0.17 0.88 0.00 -0.11 1.06 0.00 0.00 176.91 178.57 1jgn n LEU 59 N -4.35 0.71 -0.06 1.22 0.00 -0.32 -2.17 117.00 112.03 1jgn n LEU 59 Ca 0.04 0.68 0.07 0.00 0.00 0.00 0.00 56.01 56.80 1jgn n LEU 59 Cb 0.23 -0.60 -0.07 0.00 0.00 0.00 0.00 43.42 42.99 1jgn n LEU 59 CO 0.41 -0.61 0.01 -1.84 0.00 0.00 0.00 177.39 175.37 1jgn n GLU 60 N -2.29 2.21 -3.85 1.96 -0.00 -0.40 -4.77 120.64 113.49 1jgn n GLU 60 Ca 0.02 -0.13 -0.29 0.00 -0.00 0.00 0.00 57.16 56.76 1jgn n GLU 60 Cb 0.22 -1.18 -0.13 0.00 -0.00 0.00 0.00 31.44 30.35 1jgn n GLU 60 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.13 177.58 1jgn s SER 61 N -2.25 4.18 0.41 -1.84 0.15 0.61 -4.95 113.70 110.01 1jgn s SER 61 Ca 0.07 -3.26 0.09 0.00 0.70 0.00 0.00 55.95 53.54 1jgn s SER 61 Cb 0.11 -1.44 0.87 0.00 -1.71 0.00 0.00 66.02 63.85 1jgn s SER 61 CO 0.55 -0.18 2.02 1.55 1.20 0.00 0.00 173.24 178.38 1jgn h PRO 62 N 6.07 0.40 0.06 5.44 0.13 -1.86 0.15 132.00 142.37 1jgn h PRO 62 Ca 0.04 -0.04 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 1jgn h PRO 62 Cb 0.85 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 31.91 1jgn h PRO 62 CO 0.64 0.33 -0.48 1.05 -0.23 0.00 0.00 178.00 179.31 1jgn h GLU 63 N 0.40 0.22 -0.06 0.86 4.11 -1.92 -3.00 114.58 115.19 1jgn h GLU 63 Ca 0.10 -0.32 -0.03 0.00 0.07 0.00 0.00 59.36 59.19 1jgn h GLU 63 Cb 0.08 0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 1jgn h GLU 63 CO -0.01 1.09 -0.07 0.77 0.07 0.00 0.00 179.01 180.86 1jgn h SER 64 N -0.49 0.16 0.69 3.06 0.02 -1.91 -3.10 113.55 111.98 1jgn h SER 64 Ca -0.08 -0.51 -0.03 0.00 -0.84 0.00 0.00 61.79 60.34 1jgn h SER 64 Cb 1.30 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.79 1jgn h SER 64 CO 0.09 0.64 -0.43 0.25 -1.14 0.00 0.00 176.83 176.24 1jgn h LEU 65 N -0.31 -1.09 -1.59 5.07 5.85 -0.87 -2.62 115.31 119.74 1jgn h LEU 65 Ca 0.01 0.06 0.24 0.00 0.84 0.00 0.00 57.88 59.03 1jgn h LEU 65 Cb 0.60 0.32 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 1jgn h LEU 65 CO 0.02 -0.67 0.64 -0.09 -0.34 0.00 0.00 178.44 178.00 1jgn h ARG 66 N -1.06 0.30 -0.64 1.25 1.12 -1.64 0.41 114.38 114.11 1jgn h ARG 66 Ca -0.09 -0.02 -0.04 0.00 -1.11 0.00 0.00 59.98 58.72 1jgn h ARG 66 Cb 0.86 -0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 30.72 1jgn h ARG 66 CO 0.08 0.20 0.24 1.03 -3.11 0.00 0.00 179.97 178.41 1jgn h SER 67 N 0.30 0.89 0.51 -3.80 0.87 -1.39 0.36 113.55 111.30 1jgn h SER 67 Ca 0.50 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 1jgn h SER 67 Cb 1.41 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 63.14 1jgn h SER 67 CO -0.16 0.83 -0.25 0.50 -0.53 0.00 0.00 176.83 177.22 1jgn h LYS 68 N 0.90 -0.67 0.00 2.24 3.11 0.06 -2.86 116.57 119.36 1jgn h LYS 68 Ca 0.21 0.05 0.00 0.00 -2.81 0.00 0.00 60.65 58.10 1jgn h LYS 68 Cb 0.23 0.15 0.00 0.00 -1.00 0.00 0.00 32.23 31.61 1jgn h LYS 68 CO -0.02 -0.36 0.00 0.28 -2.81 0.00 0.00 179.45 176.54 1jgn h VAL 69 N -1.00 0.00 -0.25 2.00 2.07 -1.12 -1.71 116.25 116.23 1jgn h VAL 69 Ca -0.07 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 67.33 1jgn h VAL 69 Cb 0.61 1.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1jgn h VAL 69 CO 0.12 0.00 0.04 -0.78 0.02 0.00 0.00 177.57 176.97 1jgn h ASP 70 N 0.00 -0.01 0.64 0.57 3.58 -0.03 0.17 116.42 121.34 1jgn h ASP 70 Ca 0.00 0.04 -0.05 0.00 0.42 0.00 0.00 57.03 57.44 1jgn h ASP 70 Cb 0.16 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.26 1jgn h ASP 70 CO 0.00 0.03 -0.25 -0.08 -2.88 0.00 0.00 179.24 176.06 1jgn h GLU 71 N 0.13 0.00 -0.11 0.28 4.57 -1.30 -3.00 114.58 115.15 1jgn h GLU 71 Ca 0.12 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.29 1jgn h GLU 71 Cb 0.12 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.71 1jgn h GLU 71 CO -0.16 0.25 0.07 0.00 -1.18 0.00 0.00 179.01 177.98 1jgn h ALA 72 N 1.75 0.15 -0.14 2.92 0.00 -0.39 -0.28 119.26 123.27 1jgn h ALA 72 Ca -0.00 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.91 1jgn h ALA 72 Cb 0.63 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1jgn h ALA 72 CO 0.03 -0.33 0.10 -0.39 0.00 0.00 0.00 179.25 178.66 1jgn h VAL 73 N 0.11 0.94 -0.35 0.00 -1.51 -0.94 -0.71 116.25 113.79 1jgn h VAL 73 Ca 0.04 -0.01 -0.14 0.00 -1.23 0.00 0.00 66.70 65.37 1jgn h VAL 73 Cb 0.05 0.92 -0.01 0.00 -2.13 0.00 0.00 31.29 30.12 1jgn h VAL 73 CO -0.01 0.00 -0.34 0.00 -1.23 0.00 0.00 177.57 176.00 1jgn h ALA 74 N 1.93 0.75 -0.24 5.19 0.00 -1.16 -2.42 119.26 123.31 1jgn h ALA 74 Ca 0.07 -0.43 0.07 0.00 0.00 0.00 0.00 54.91 54.62 1jgn h ALA 74 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1jgn h ALA 74 CO -0.00 0.66 0.19 -0.39 0.00 0.00 0.00 179.25 179.70 1jgn h VAL 75 N 0.65 0.78 0.03 0.00 -1.51 0.48 -0.44 116.25 116.24 1jgn h VAL 75 Ca 0.07 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.53 1jgn h VAL 75 Cb 0.88 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 1jgn h VAL 75 CO 0.08 0.00 -0.01 -0.07 -1.23 0.00 0.00 177.57 176.33 1jgn h LEU 76 N 0.00 -0.03 -1.88 4.19 -0.00 -1.34 -0.26 115.31 115.99 1jgn h LEU 76 Ca 0.12 -0.56 0.24 0.00 -0.00 0.00 0.00 57.88 57.68 1jgn h LEU 76 Cb 0.49 0.01 -0.04 0.00 -0.00 0.00 0.00 40.66 41.11 1jgn h LEU 76 CO -0.00 0.56 0.62 1.56 -0.00 0.00 0.00 178.44 181.17 1jgn h GLN 77 N -0.64 0.09 0.00 1.13 1.08 -0.82 0.77 115.11 116.73 1jgn h GLN 77 Ca -0.00 -0.01 -0.22 0.00 -1.45 0.00 0.00 58.65 56.97 1jgn h GLN 77 Cb 0.59 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.96 1jgn h GLN 77 CO 0.01 0.06 -1.11 0.00 -0.95 0.00 0.00 178.83 176.84 1jgn h ALA 78 N 1.58 0.41 -0.00 3.87 0.00 -1.00 -3.23 119.26 120.89 1jgn h ALA 78 Ca 0.43 -0.99 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1jgn h ALA 78 Cb 1.55 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1jgn h ALA 78 CO -0.05 1.29 0.04 1.25 0.00 0.00 0.00 179.25 181.78 1jgn h HIS 79 N 0.00 0.00 0.00 0.00 6.17 0.24 -0.88 115.15 120.68 1jgn h HIS 79 Ca -0.05 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.03 1jgn h HIS 79 Cb 1.81 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.74 1jgn h HIS 79 CO 0.00 0.00 0.00 1.04 0.71 0.00 0.00 177.93 179.68 1jgn n GLN 80 N -3.10 0.64 0.00 5.26 6.02 -1.00 -2.71 117.38 122.49 1jgn n GLN 80 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1jgn n GLN 80 Cb 0.10 -1.20 0.00 0.00 1.02 0.00 0.00 30.24 30.17 1jgn n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jgn n ALA 81 N -0.70 -0.01 0.19 -1.58 0.00 -0.34 -3.43 120.51 114.65 1jgn n ALA 81 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.59 1jgn n ALA 81 Cb 0.03 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.60 1jgn n ALA 81 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1jgn h LYS 82 N 0.00 0.00 -0.06 0.00 6.56 -1.80 -3.29 116.57 117.98 1jgn h LYS 82 Ca 0.00 0.00 -0.20 0.00 -1.06 0.00 0.00 60.65 59.39 1jgn h LYS 82 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1jgn h LYS 82 CO 0.00 0.15 -0.81 1.05 -2.06 0.00 0.00 179.45 177.78 1jgn h GLU 83 N 0.00 0.44 0.00 3.15 4.11 -1.72 -3.02 114.58 117.54 1jgn h GLU 83 Ca -0.00 -0.40 0.00 0.00 0.07 0.00 0.00 59.36 59.03 1jgn h GLU 83 Cb 1.12 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1jgn h GLU 83 CO 0.02 1.04 0.00 0.00 0.07 0.00 0.00 179.01 180.14 1jgn n ALA 84 N -2.53 2.15 0.09 1.06 0.00 -1.22 -3.34 120.51 116.73 1jgn n ALA 84 Ca -0.05 -0.04 0.02 0.00 0.00 0.00 0.00 53.44 53.37 1jgn n ALA 84 Cb 0.76 -1.10 0.38 0.00 0.00 0.00 0.00 19.45 19.49 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 2.54 1.50 -2.36 0.00 0.00 -1.70 -3.44 119.26 115.80 1jgn h ALA 85 Ca 0.00 -0.19 -0.46 0.00 0.00 0.00 0.00 54.91 54.26 1jgn h ALA 85 Cb 0.00 -0.10 0.13 0.00 0.00 0.00 0.00 17.79 17.82 1jgn h ALA 85 CO 0.00 0.36 0.41 -0.65 0.00 0.00 0.00 179.25 179.37 1jgn s GLN 86 N -4.83 1.37 0.00 0.00 -1.52 -1.21 -4.98 119.66 108.49 1jgn s GLN 86 Ca -0.06 -0.11 0.26 0.00 -1.95 0.00 0.00 55.36 53.51 1jgn s GLN 86 Cb 0.16 -1.90 0.74 0.00 -0.22 0.00 0.00 33.01 31.79 1jgn s GLN 86 CO 0.74 -1.97 1.56 1.63 -0.25 0.00 0.00 175.29 177.00 1jgn n LYS 87 N -3.53 1.52 -0.53 2.91 5.02 -1.26 -4.06 118.16 118.23 1jgn n LYS 87 Ca 0.11 -1.00 -0.07 0.00 -2.02 0.00 0.00 58.31 55.33 1jgn n LYS 87 Cb 0.60 -1.48 0.12 0.00 -0.02 0.00 0.00 35.03 34.25 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 0.13 3.71 0.30 7.82 0.00 -1.26 -3.99 120.51 127.23 1jgn n ALA 88 Ca 0.16 -1.22 0.11 0.00 0.00 0.00 0.00 53.44 52.48 1jgn n ALA 88 Cb 0.40 -1.16 0.27 0.00 0.00 0.00 0.00 19.45 18.95 1jgn n ALA 88 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1jgn n VAL 89 N -0.10 0.64 -1.46 0.00 3.14 -1.26 -4.50 118.33 114.79 1jgn n VAL 89 Ca 0.24 -0.73 -0.26 0.00 -2.96 0.00 0.00 64.34 60.62 1jgn n VAL 89 Cb 0.95 0.57 -0.06 0.00 -1.06 0.00 0.00 33.84 34.24 1jgn n VAL 89 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 1jgn n ASN 90 N 1.22 6.41 -4.70 6.55 2.85 -1.26 -4.95 115.26 121.38 1jgn n ASN 90 Ca 0.19 -3.15 -0.27 0.00 -0.11 0.00 0.00 54.58 51.24 1jgn n ASN 90 Cb 0.52 -1.25 0.11 0.00 1.24 0.00 0.00 39.78 40.39 1jgn n ASN 90 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 1jgn s SER 91 N 0.48 4.26 -1.02 1.20 0.01 -1.26 -4.97 113.70 112.40 1jgn s SER 91 Ca 0.59 0.43 -0.23 0.00 1.31 0.00 0.00 55.95 58.05 1jgn s SER 91 Cb 0.38 -0.86 0.04 0.00 0.21 0.00 0.00 66.02 65.79 1jgn s SER 91 CO -0.21 -1.99 1.51 0.00 0.41 0.00 0.00 173.24 172.96 1jgn s ALA 92 N -3.49 2.62 -0.27 1.44 0.00 -1.26 -4.94 121.76 115.86 1jgn s ALA 92 Ca 0.65 -2.20 0.01 0.00 0.00 0.00 0.00 51.96 50.41 1jgn s ALA 92 Cb -0.09 -4.54 0.05 0.00 0.00 0.00 0.00 23.12 18.55 1jgn s ALA 92 CO 0.48 -3.73 -0.07 0.95 0.00 0.00 0.00 175.76 173.39 1jgn s THR 93 N 5.46 2.53 -2.37 0.00 -4.23 -1.26 -4.96 115.64 110.81 1jgn s THR 93 Ca 0.49 -1.46 0.24 0.00 -1.18 0.00 0.00 61.69 59.77 1jgn s THR 93 Cb -0.01 -2.44 0.49 0.00 1.34 0.00 0.00 72.50 71.88 1jgn s THR 93 CO -0.09 -0.01 1.61 0.61 -0.54 0.00 0.00 174.62 176.20 1jgn n GLY 94 N 4.53 0.23 3.75 3.99 0.00 -1.26 -4.79 105.19 111.64 1jgn n GLY 94 Ca -0.14 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 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 -1.86 5.04 -0.06 1.61 1.01 -1.26 -3.03 120.40 121.86 1jgn s VAL 95 Ca 0.34 1.11 -0.02 0.00 0.00 0.00 0.00 61.98 63.41 1jgn s VAL 95 Cb 0.19 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 1jgn s VAL 95 CO 0.29 0.38 0.13 1.55 0.00 0.00 0.00 175.10 177.45 1jgn h PRO 96 N 6.08 -0.08 0.00 2.72 0.13 -2.06 -3.41 132.00 135.38 1jgn h PRO 96 Ca -0.44 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.66 1jgn h PRO 96 Cb 1.19 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1jgn h PRO 96 CO 0.72 -0.05 -1.64 -2.37 -0.23 0.00 0.00 178.00 174.42 1jgn n THR 97 N -3.87 0.16 0.44 1.56 5.66 -1.17 -5.23 114.28 111.83 1jgn n THR 97 Ca -0.01 -0.34 0.05 0.00 -3.05 0.00 0.00 64.05 60.70 1jgn n THR 97 Cb 0.03 0.04 0.04 0.00 -1.55 0.00 0.00 70.33 68.89 1jgn n THR 97 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35