#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 -0.98 -6.15 1.61 0.11 -2.11 -3.40 132.00 121.08 1jgn h PRO 2 Ca 0.00 0.07 -0.57 0.00 0.11 0.00 0.00 66.00 65.60 1jgn h PRO 2 Cb 0.00 0.22 -0.05 0.00 0.11 0.00 0.00 31.00 31.28 1jgn h PRO 2 CO 0.00 -0.65 0.86 -0.51 -0.21 0.00 0.00 178.00 177.48 1jgn s LEU 3 N -10.10 4.09 -0.03 2.35 1.02 -1.26 -4.90 118.68 109.85 1jgn s LEU 3 Ca -0.18 1.43 0.20 0.00 0.02 0.00 0.00 54.13 55.60 1jgn s LEU 3 Cb 0.04 -3.54 -0.24 0.00 0.02 0.00 0.00 46.19 42.47 1jgn s LEU 3 CO 0.61 -0.76 0.51 0.61 0.02 0.00 0.00 176.35 177.34 1jgn n GLY 4 N 3.58 -1.09 3.81 -3.19 0.00 -1.26 -4.93 105.19 102.11 1jgn n GLY 4 Ca 0.13 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.39 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 -5.07 7.05 0.55 1.61 0.01 -1.26 -5.05 113.70 111.54 1jgn s SER 5 Ca -0.07 1.26 -0.22 0.00 1.31 0.00 0.00 55.95 58.24 1jgn s SER 5 Cb 0.11 -2.36 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 1jgn s SER 5 CO 0.86 0.24 1.38 -2.65 0.41 0.00 0.00 173.24 173.48 1jgn n PRO 6 N 1.56 1.72 -3.03 12.44 -0.02 -1.26 -4.97 135.00 141.45 1jgn n PRO 6 Ca -0.09 0.63 -0.40 0.00 -2.02 0.00 0.00 63.50 61.62 1jgn n PRO 6 Cb 0.51 -2.60 -0.05 0.00 -0.02 0.00 0.00 33.50 31.34 1jgn n PRO 6 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jgn s LEU 7 N -3.52 4.25 0.01 2.45 1.02 -1.26 -4.95 118.68 116.68 1jgn s LEU 7 Ca 0.72 1.11 0.12 0.00 0.02 0.00 0.00 54.13 56.10 1jgn s LEU 7 Cb -0.41 -3.08 -0.21 0.00 0.02 0.00 0.00 46.19 42.51 1jgn s LEU 7 CO 0.49 -0.21 0.83 0.00 0.02 0.00 0.00 176.35 177.48 1jgn h THR 8 N 4.94 0.97 -0.95 5.49 1.03 -1.95 -3.08 112.91 119.37 1jgn h THR 8 Ca -0.36 -2.75 0.02 0.00 -0.01 0.00 0.00 66.41 63.31 1jgn h THR 8 Cb 1.17 2.46 -0.05 0.00 -1.07 0.00 0.00 68.15 70.66 1jgn h THR 8 CO 0.78 0.56 0.63 0.00 -0.01 0.00 0.00 175.52 177.47 1jgn h ALA 9 N 1.06 1.36 -0.14 0.00 0.00 -1.93 0.15 119.26 119.75 1jgn h ALA 9 Ca -0.21 -0.06 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1jgn h ALA 9 Cb 1.90 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1jgn h ALA 9 CO 0.08 0.57 -0.45 1.03 0.00 0.00 0.00 179.25 180.49 1jgn h SER 10 N 1.24 0.37 -0.46 0.00 0.87 -1.99 -2.66 113.55 110.93 1jgn h SER 10 Ca 0.36 -0.17 -0.06 0.00 -1.23 0.00 0.00 61.79 60.70 1jgn h SER 10 Cb -0.07 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1jgn h SER 10 CO -0.10 0.77 0.08 0.24 -0.53 0.00 0.00 176.83 177.29 1jgn h MET 11 N 0.28 0.82 -0.29 2.24 2.86 -0.96 -1.75 114.93 118.13 1jgn h MET 11 Ca 0.02 -0.19 0.07 0.00 -2.06 0.00 0.00 59.70 57.54 1jgn h MET 11 Cb 0.90 -0.11 -0.07 0.00 0.06 0.00 0.00 31.60 32.38 1jgn h MET 11 CO 0.07 0.77 -0.18 -0.07 1.06 0.00 0.00 176.91 178.56 1jgn h LEU 12 N 0.78 -0.59 -1.23 1.22 4.07 -0.43 0.72 115.31 119.84 1jgn h LEU 12 Ca 0.16 0.13 -0.07 0.00 0.08 0.00 0.00 57.88 58.18 1jgn h LEU 12 Cb 0.35 0.31 -0.01 0.00 1.08 0.00 0.00 40.66 42.39 1jgn h LEU 12 CO 0.01 -0.22 -0.25 0.00 -1.08 0.00 0.00 178.44 176.90 1jgn h ALA 13 N 1.03 1.36 -0.67 1.53 0.00 -1.47 -2.84 119.26 118.20 1jgn h ALA 13 Ca 0.15 -0.29 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 1jgn h ALA 13 Cb 0.38 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 1jgn h ALA 13 CO -0.38 0.44 0.21 0.45 0.00 0.00 0.00 179.25 179.97 1jgn n SER 14 N -4.17 4.82 -3.70 0.00 2.88 -0.06 -4.87 113.62 108.52 1jgn n SER 14 Ca -0.01 -3.20 -0.22 0.00 -1.33 0.00 0.00 58.87 54.11 1jgn n SER 14 Cb 0.35 -0.72 -0.18 0.00 -0.75 0.00 0.00 64.21 62.91 1jgn n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jgn s ALA 15 N -2.97 0.46 1.14 -1.46 0.00 0.23 -4.95 121.76 114.21 1jgn s ALA 15 Ca 0.54 -0.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.32 1jgn s ALA 15 Cb 0.43 -0.74 0.18 0.00 0.00 0.00 0.00 23.12 23.00 1jgn s ALA 15 CO 0.13 -0.59 0.45 -2.30 0.00 0.00 0.00 175.76 173.45 1jgn n PRO 16 N 5.23 -1.92 -0.01 0.00 -0.02 -1.26 -4.76 135.00 132.25 1jgn n PRO 16 Ca -0.05 -0.54 0.07 0.00 -2.02 0.00 0.00 63.50 60.96 1jgn n PRO 16 Cb 0.50 -1.91 0.46 0.00 -0.02 0.00 0.00 33.50 32.53 1jgn n PRO 16 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1jgn h PRO 17 N -2.32 0.47 0.00 0.52 0.13 -2.01 0.18 132.00 128.97 1jgn h PRO 17 Ca -0.57 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 1jgn h PRO 17 Cb 1.35 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1jgn h PRO 17 CO 0.43 0.31 0.00 1.04 -0.23 0.00 0.00 178.00 179.55 1jgn n GLN 18 N -4.48 0.03 -0.22 0.86 6.02 -1.26 -2.53 117.38 115.81 1jgn n GLN 18 Ca 0.05 0.16 0.05 0.00 -0.01 0.00 0.00 57.00 57.25 1jgn n GLN 18 Cb 0.16 -1.50 0.16 0.00 1.02 0.00 0.00 30.24 30.09 1jgn n GLN 18 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1jgn n GLU 19 N -1.48 1.98 0.11 -1.09 4.07 0.05 -4.41 120.64 119.88 1jgn n GLU 19 Ca 0.05 -1.33 -0.15 0.00 -0.06 0.00 0.00 57.16 55.67 1jgn n GLU 19 Cb 0.22 -1.36 -0.08 0.00 -0.06 0.00 0.00 31.44 30.16 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 2.09 -0.67 -0.07 5.31 3.07 -1.61 -0.64 115.11 122.59 1jgn h GLN 20 Ca 0.00 0.05 0.02 0.00 0.09 0.00 0.00 58.65 58.81 1jgn h GLN 20 Cb 0.58 0.15 -0.00 0.00 0.08 0.00 0.00 27.48 28.29 1jgn h GLN 20 CO 0.03 -0.44 0.22 1.57 0.09 0.00 0.00 178.83 180.30 1jgn h LYS 21 N -0.69 0.00 0.00 0.06 5.09 -1.75 0.15 116.57 119.44 1jgn h LYS 21 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.75 1jgn h LYS 21 Cb 0.71 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.04 1jgn h LYS 21 CO -0.26 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 178.04 1jgn n GLN 22 N -3.23 0.00 0.00 0.07 -0.06 -0.27 -4.32 117.38 109.57 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 0.30 -0.65 0.00 0.00 -4.06 0.00 0.00 30.24 25.83 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 -0.49 0.00 0.00 3.69 0.00 -1.06 -4.22 117.12 115.04 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 -4.76 117.00 114.18 1jgn n LEU 24 Ca 0.00 0.07 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1jgn n LEU 24 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 43.42 43.35 1jgn n LEU 24 CO 0.00 -0.07 0.00 0.61 -0.00 0.00 0.00 177.39 177.93 1jgn n GLY 25 N -1.07 3.11 0.04 1.47 0.00 0.04 -1.09 105.19 107.69 1jgn n GLY 25 Ca 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.07 0.00 1.61 3.07 -1.89 -3.10 114.58 114.20 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 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 27.93 1jgn h GLU 26 CO 0.00 -0.05 0.00 -2.13 -1.40 0.00 0.00 179.01 175.43 1jgn n ARG 27 N -2.82 0.00 0.00 2.33 3.00 -0.80 -4.90 116.66 113.47 1jgn n ARG 27 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.83 1jgn n ARG 27 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 32.46 32.48 1jgn n ARG 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1jgn n LEU 28 N 0.00 0.00 -0.23 6.15 4.32 -0.25 -3.40 117.00 123.58 1jgn n LEU 28 Ca 0.00 0.60 0.06 0.00 -0.02 0.00 0.00 56.01 56.64 1jgn n LEU 28 Cb 0.43 -0.10 0.12 0.00 -1.62 0.00 0.00 43.42 42.25 1jgn n LEU 28 CO 0.00 -0.10 0.45 0.33 -1.22 0.00 0.00 177.39 176.86 1jgn n PHE 29 N -0.81 0.29 -0.25 -1.77 -0.00 -1.21 -0.19 117.46 113.51 1jgn n PHE 29 Ca 0.00 0.78 -0.05 0.00 -0.00 0.00 0.00 57.45 58.18 1jgn n PHE 29 Cb 0.00 -0.91 0.09 0.00 -0.00 0.00 0.00 39.48 38.66 1jgn n PHE 29 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1jgn h PRO 30 N 0.00 1.12 -0.16 -7.13 0.13 -1.83 0.88 132.00 125.01 1jgn h PRO 30 Ca 0.34 -0.21 -0.08 0.00 -0.87 0.00 0.00 66.00 65.18 1jgn h PRO 30 Cb 0.58 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.54 1jgn h PRO 30 CO -0.64 0.92 -0.21 -0.07 -0.23 0.00 0.00 178.00 177.77 1jgn h LEU 31 N 1.08 0.45 -0.32 1.56 3.38 -0.59 -2.28 115.31 118.60 1jgn h LEU 31 Ca 0.24 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1jgn h LEU 31 Cb 0.25 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1jgn h LEU 31 CO -0.02 0.87 0.00 -0.38 0.09 0.00 0.00 178.44 179.01 1jgn n ILE 32 N -4.48 0.72 -0.21 1.22 5.41 -0.82 -2.34 119.36 118.87 1jgn n ILE 32 Ca -0.06 0.08 -0.03 0.00 1.00 0.00 0.00 62.75 63.75 1jgn n ILE 32 Cb 0.41 -0.92 0.17 0.00 -0.71 0.00 0.00 39.64 38.58 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 1.00 0.00 0.38 5.75 0.14 1.35 115.11 123.73 1jgn h GLN 33 Ca 0.00 -0.15 -0.10 0.00 -0.15 0.00 0.00 58.65 58.25 1jgn h GLN 33 Cb 0.45 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 1jgn h GLN 33 CO 0.00 0.79 -0.47 0.00 -2.65 0.00 0.00 178.83 176.51 1jgn h ALA 34 N 1.34 1.13 -0.81 3.38 0.00 -1.39 -2.29 119.26 120.62 1jgn h ALA 34 Ca 0.23 -0.43 -0.29 0.00 0.00 0.00 0.00 54.91 54.43 1jgn h ALA 34 Cb 0.15 -0.07 -0.17 0.00 0.00 0.00 0.00 17.79 17.69 1jgn h ALA 34 CO -0.02 0.58 0.36 -1.33 0.00 0.00 0.00 179.25 178.84 1jgn n MET 35 N -3.84 3.42 0.14 0.00 2.81 0.34 -4.59 117.12 115.40 1jgn n MET 35 Ca -0.01 -3.08 0.03 0.00 -1.81 0.00 0.00 57.70 52.82 1jgn n MET 35 Cb 0.51 -2.22 0.40 0.00 -0.71 0.00 0.00 33.22 31.20 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 2.32 0.18 -1.00 2.03 -0.00 0.22 -3.17 115.15 115.74 1jgn h HIS 36 Ca 0.36 -0.02 0.33 0.00 -0.00 0.00 0.00 60.37 61.04 1jgn h HIS 36 Cb 2.48 -0.05 -0.09 0.00 -0.00 0.00 0.00 27.41 29.75 1jgn h HIS 36 CO 1.38 0.34 0.66 -2.30 -0.00 0.00 0.00 177.93 178.01 1jgn n PRO 37 N -4.26 -0.02 0.00 5.12 -0.02 -1.26 -2.03 135.00 132.53 1jgn n PRO 37 Ca -0.01 0.82 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1jgn n PRO 37 Cb 0.28 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 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 -3.89 0.00 -2.69 3.45 -1.04 -1.20 -5.01 114.28 103.90 1jgn n THR 38 Ca 0.28 0.04 -0.05 0.00 -2.04 0.00 0.00 64.05 62.28 1jgn n THR 38 Cb 1.11 -0.14 0.08 0.00 -1.82 0.00 0.00 70.33 69.55 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 0.00 -1.71 -0.31 -4.42 -0.00 -0.86 -5.01 117.00 104.69 1jgn n LEU 39 Ca 0.00 -2.28 0.35 0.00 -0.00 0.00 0.00 56.01 54.08 1jgn n LEU 39 Cb 0.00 0.74 0.72 0.00 -0.00 0.00 0.00 43.42 44.88 1jgn n LEU 39 CO 0.00 1.71 1.32 0.00 -0.00 0.00 0.00 177.39 180.43 1jgn h ALA 40 N 3.11 3.09 0.04 1.96 0.00 -1.77 -2.56 119.26 123.14 1jgn h ALA 40 Ca -0.22 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1jgn h ALA 40 Cb 1.16 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1jgn h ALA 40 CO -0.02 -1.56 -0.43 0.78 0.00 0.00 0.00 179.25 178.03 1jgn h GLY 41 N 0.00 -1.18 1.70 0.00 0.00 -1.92 -2.32 103.07 99.35 1jgn h GLY 41 Ca 0.57 0.64 -0.19 0.00 0.00 0.00 0.00 47.33 48.34 1jgn h GLY 41 CO -0.01 -0.30 -0.82 1.70 0.00 0.00 0.00 176.54 177.11 1jgn h LYS 42 N -0.57 0.28 0.26 4.80 1.63 -1.90 -3.28 116.57 117.79 1jgn h LYS 42 Ca 0.00 -0.27 0.01 0.00 -0.85 0.00 0.00 60.65 59.54 1jgn h LYS 42 Cb 0.59 0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.26 1jgn h LYS 42 CO -0.26 0.95 -0.40 0.82 -3.45 0.00 0.00 179.45 177.11 1jgn h ILE 43 N 0.17 0.19 -0.69 2.00 2.04 -1.42 -2.12 117.51 117.67 1jgn h ILE 43 Ca -0.04 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.95 1jgn h ILE 43 Cb 1.42 0.19 -0.09 0.00 -0.74 0.00 0.00 36.82 37.60 1jgn h ILE 43 CO 0.13 0.00 0.21 0.00 0.00 0.00 0.00 178.15 178.50 1jgn h THR 44 N -0.72 0.63 -0.01 -0.27 1.03 -1.53 -2.19 112.91 109.84 1jgn h THR 44 Ca -0.01 -0.12 0.01 0.00 -0.01 0.00 0.00 66.41 66.29 1jgn h THR 44 Cb 0.69 0.25 -0.03 0.00 -1.07 0.00 0.00 68.15 68.00 1jgn h THR 44 CO -0.15 0.06 -0.28 1.23 -0.01 0.00 0.00 175.52 176.37 1jgn h GLY 45 N 0.34 -1.27 0.57 2.99 0.00 -1.45 0.50 103.07 104.75 1jgn h GLY 45 Ca 0.38 0.64 0.06 0.00 0.00 0.00 0.00 47.33 48.41 1jgn h GLY 45 CO -0.42 -0.38 0.11 0.00 0.00 0.00 0.00 176.54 175.86 1jgn h MET 46 N -0.34 0.25 -0.00 4.80 -0.00 -1.21 -0.29 114.93 118.13 1jgn h MET 46 Ca 0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 59.70 59.69 1jgn h MET 46 Cb 0.37 -0.06 0.00 0.00 -0.00 0.00 0.00 31.60 31.92 1jgn h MET 46 CO -0.20 0.17 0.00 1.28 -0.00 0.00 0.00 176.91 178.16 1jgn n LEU 47 N -5.05 0.03 0.00 -0.10 7.99 -0.84 -3.69 117.00 115.33 1jgn n LEU 47 Ca 0.03 -0.01 0.05 0.00 -0.01 0.00 0.00 56.01 56.06 1jgn n LEU 47 Cb 0.17 -0.00 0.22 0.00 -0.11 0.00 0.00 43.42 43.70 1jgn n LEU 47 CO 0.25 0.01 0.60 -0.11 -1.51 0.00 0.00 177.39 176.63 1jgn n LEU 48 N -0.65 0.00 -0.46 2.23 -0.00 0.17 -1.76 117.00 116.53 1jgn n LEU 48 Ca 0.08 0.35 0.01 0.00 -0.00 0.00 0.00 56.01 56.45 1jgn n LEU 48 Cb 0.04 -0.35 0.03 0.00 -0.00 0.00 0.00 43.42 43.14 1jgn n LEU 48 CO 0.06 -0.24 0.37 -0.62 -0.00 0.00 0.00 177.39 176.96 1jgn n GLU 49 N -1.35 1.27 -2.19 1.96 1.02 -1.24 -4.86 120.64 115.25 1jgn n GLU 49 Ca 0.04 -0.25 -0.29 0.00 -0.02 0.00 0.00 57.16 56.63 1jgn n GLU 49 Cb 0.08 -1.40 0.01 0.00 -0.02 0.00 0.00 31.44 30.11 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 -1.39 4.59 0.71 -3.67 2.07 -0.72 -5.05 121.20 117.73 1jgn s ILE 50 Ca 0.04 0.53 -0.12 0.00 -1.41 0.00 0.00 60.65 59.69 1jgn s ILE 50 Cb 0.03 -3.80 0.02 0.00 0.13 0.00 0.00 42.46 38.84 1jgn s ILE 50 CO 0.02 -0.94 1.09 -1.81 -1.91 0.00 0.00 174.94 171.38 1jgn s ASP 51 N -4.18 4.94 0.04 4.50 1.11 -1.26 -4.96 116.67 116.85 1jgn s ASP 51 Ca 0.52 1.83 0.12 0.00 0.18 0.00 0.00 52.55 55.21 1jgn s ASP 51 Cb -0.11 -2.53 -0.19 0.00 1.07 0.00 0.00 42.92 41.17 1jgn s ASP 51 CO 0.50 -1.74 0.91 0.78 1.18 0.00 0.00 175.17 176.80 1jgn h ASN 52 N -0.60 0.00 0.47 0.27 4.21 -1.98 -2.70 115.58 115.25 1jgn h ASN 52 Ca -0.45 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 56.90 1jgn h ASN 52 Cb 1.23 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.42 1jgn h ASN 52 CO 0.54 0.90 -0.72 -1.28 -1.29 0.00 0.00 177.43 175.57 1jgn h SER 53 N 0.00 0.25 0.90 5.81 0.87 -2.01 -3.04 113.55 116.33 1jgn h SER 53 Ca -0.17 -0.17 -0.14 0.00 -1.23 0.00 0.00 61.79 60.08 1jgn h SER 53 Cb 1.83 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 63.70 1jgn h SER 53 CO 0.09 0.89 -0.67 1.05 -0.53 0.00 0.00 176.83 177.65 1jgn h GLU 54 N 0.14 0.00 -0.27 2.24 -0.00 -1.96 -3.20 114.58 111.53 1jgn h GLU 54 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1jgn h GLU 54 Cb 1.28 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.01 1jgn h GLU 54 CO 0.11 0.67 0.17 1.37 -0.00 0.00 0.00 179.01 181.33 1jgn h LEU 55 N 0.00 0.32 -0.67 3.06 8.10 -1.36 -1.53 115.31 123.23 1jgn h LEU 55 Ca -0.01 -0.03 0.04 0.00 0.11 0.00 0.00 57.88 57.99 1jgn h LEU 55 Cb 1.30 -0.08 -0.05 0.00 -0.44 0.00 0.00 40.66 41.40 1jgn h LEU 55 CO 0.09 0.26 0.41 0.25 -4.11 0.00 0.00 178.44 175.33 1jgn h LEU 56 N 0.35 0.65 -0.88 0.17 5.85 -1.56 -1.56 115.31 118.33 1jgn h LEU 56 Ca 0.10 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1jgn h LEU 56 Cb -0.01 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1jgn h LEU 56 CO -0.02 0.44 0.58 -0.74 -0.34 0.00 0.00 178.44 178.36 1jgn h HIS 57 N 0.78 1.09 -0.81 1.25 2.76 -1.46 -1.52 115.15 117.24 1jgn h HIS 57 Ca 0.28 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.46 1jgn h HIS 57 Cb 0.07 -0.37 -0.04 0.00 1.55 0.00 0.00 27.41 28.62 1jgn h HIS 57 CO -0.05 0.66 0.46 0.52 -1.30 0.00 0.00 177.93 178.22 1jgn h MET 58 N 1.16 1.11 0.00 5.26 2.86 -0.38 0.62 114.93 125.56 1jgn h MET 58 Ca 0.34 -0.11 -0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1jgn h MET 58 Cb -0.07 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.36 1jgn h MET 58 CO -0.09 0.80 -0.01 1.25 1.06 0.00 0.00 176.91 179.91 1jgn h LEU 59 N 1.12 0.00 -1.18 1.22 6.46 -0.39 -2.42 115.31 120.13 1jgn h LEU 59 Ca 0.29 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.05 1jgn h LEU 59 Cb -0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1jgn h LEU 59 CO -0.05 0.01 -0.17 -1.84 -0.62 0.00 0.00 178.44 175.78 1jgn n GLU 60 N -3.12 1.50 -3.88 1.25 0.28 -0.07 -4.80 120.64 111.80 1jgn n GLU 60 Ca -0.00 -1.05 -0.30 0.00 -0.16 0.00 0.00 57.16 55.65 1jgn n GLU 60 Cb 0.26 -1.26 -0.13 0.00 1.43 0.00 0.00 31.44 31.74 1jgn n GLU 60 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1jgn s SER 61 N -1.56 4.18 0.43 -1.84 0.01 0.20 -4.94 113.70 110.18 1jgn s SER 61 Ca 0.15 -3.05 0.11 0.00 1.31 0.00 0.00 55.95 54.46 1jgn s SER 61 Cb 0.12 -1.48 0.93 0.00 0.21 0.00 0.00 66.02 65.80 1jgn s SER 61 CO 0.29 -0.22 2.01 1.55 0.41 0.00 0.00 173.24 177.29 1jgn h PRO 62 N 6.37 0.24 0.00 12.44 0.13 -1.87 0.13 132.00 149.44 1jgn h PRO 62 Ca -0.03 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1jgn h PRO 62 Cb 0.88 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1jgn h PRO 62 CO 0.64 0.27 -0.00 0.93 -0.23 0.00 0.00 178.00 179.61 1jgn h GLU 63 N 0.24 -0.00 0.13 0.86 5.08 -1.93 -3.08 114.58 115.88 1jgn h GLU 63 Ca 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 1jgn h GLU 63 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1jgn h GLU 63 CO 0.00 0.88 -0.06 1.03 -1.00 0.00 0.00 179.01 179.86 1jgn h SER 64 N -0.93 -0.15 0.47 1.42 0.87 -1.92 -2.93 113.55 110.39 1jgn h SER 64 Ca -0.00 -0.34 -0.02 0.00 -1.23 0.00 0.00 61.79 60.19 1jgn h SER 64 Cb 0.89 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1jgn h SER 64 CO 0.00 0.30 -0.28 0.25 -0.53 0.00 0.00 176.83 176.56 1jgn h LEU 65 N -0.63 -0.72 -1.50 2.23 7.12 -0.93 0.44 115.31 121.33 1jgn h LEU 65 Ca -0.02 0.04 0.22 0.00 0.13 0.00 0.00 57.88 58.25 1jgn h LEU 65 Cb 0.48 0.21 -0.07 0.00 -0.53 0.00 0.00 40.66 40.75 1jgn h LEU 65 CO 0.03 -0.44 0.63 -0.09 -0.13 0.00 0.00 178.44 178.43 1jgn h ARG 66 N -0.71 0.37 -0.25 1.25 2.43 -1.67 0.54 114.38 116.34 1jgn h ARG 66 Ca -0.06 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 58.94 1jgn h ARG 66 Cb 0.56 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1jgn h ARG 66 CO 0.07 0.25 -0.42 1.03 -1.51 0.00 0.00 179.97 179.39 1jgn h SER 67 N 0.38 0.65 0.45 -3.80 0.87 -1.30 0.97 113.55 111.78 1jgn h SER 67 Ca 0.50 -0.30 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1jgn h SER 67 Cb 1.30 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1jgn h SER 67 CO -0.20 0.99 -0.22 0.50 -0.53 0.00 0.00 176.83 177.37 1jgn h LYS 68 N 0.50 -0.58 0.00 2.24 3.64 0.22 -2.89 116.57 119.70 1jgn h LYS 68 Ca 0.04 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1jgn h LYS 68 Cb 0.93 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 1jgn h LYS 68 CO 0.08 -0.28 -0.02 0.28 -2.27 0.00 0.00 179.45 177.24 1jgn h VAL 69 N -0.92 0.12 -0.31 2.00 2.07 -0.96 -2.05 116.25 116.20 1jgn h VAL 69 Ca -0.06 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1jgn h VAL 69 Cb 0.58 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.55 1jgn h VAL 69 CO 0.10 0.02 0.06 -0.78 0.02 0.00 0.00 177.57 177.00 1jgn h ASP 70 N 0.00 0.02 0.59 0.57 3.58 -0.59 0.21 116.42 120.81 1jgn h ASP 70 Ca -0.00 0.05 -0.06 0.00 0.42 0.00 0.00 57.03 57.44 1jgn h ASP 70 Cb 0.25 0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1jgn h ASP 70 CO 0.00 0.05 -0.30 -0.08 -2.88 0.00 0.00 179.24 176.03 1jgn h GLU 71 N 0.18 0.00 -0.33 0.28 4.81 -1.32 -3.01 114.58 115.20 1jgn h GLU 71 Ca 0.15 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.38 1jgn h GLU 71 Cb 0.16 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1jgn h GLU 71 CO -0.19 0.30 0.21 0.00 -0.73 0.00 0.00 179.01 178.60 1jgn h ALA 72 N 1.70 0.42 0.00 2.92 0.00 -0.27 -0.46 119.26 123.57 1jgn h ALA 72 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1jgn h ALA 72 Cb 0.68 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jgn h ALA 72 CO 0.04 -0.09 -0.06 -0.39 0.00 0.00 0.00 179.25 178.75 1jgn h VAL 73 N 0.43 0.99 0.00 0.00 -1.51 -0.93 -0.49 116.25 114.75 1jgn h VAL 73 Ca 0.12 -0.20 -0.09 0.00 -1.23 0.00 0.00 66.70 65.29 1jgn h VAL 73 Cb -0.01 1.11 -0.01 0.00 -2.13 0.00 0.00 31.29 30.25 1jgn h VAL 73 CO -0.02 0.06 -0.43 0.00 -1.23 0.00 0.00 177.57 175.94 1jgn h ALA 74 N 1.94 1.13 -0.25 5.19 0.00 -1.10 -2.37 119.26 123.80 1jgn h ALA 74 Ca -0.00 -0.39 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 1jgn h ALA 74 Cb 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1jgn h ALA 74 CO 0.01 0.54 -0.43 -0.39 0.00 0.00 0.00 179.25 178.98 1jgn h VAL 75 N 0.00 1.30 0.17 0.00 -1.51 0.20 -2.46 116.25 113.95 1jgn h VAL 75 Ca -0.00 -1.61 -0.01 0.00 -1.23 0.00 0.00 66.70 63.85 1jgn h VAL 75 Cb 0.85 1.57 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 1jgn h VAL 75 CO 0.06 0.51 -0.08 0.25 -1.23 0.00 0.00 177.57 177.07 1jgn h LEU 76 N 0.51 -0.20 -1.21 4.19 5.85 -1.35 0.11 115.31 123.21 1jgn h LEU 76 Ca 0.04 -0.34 0.17 0.00 0.84 0.00 0.00 57.88 58.59 1jgn h LEU 76 Cb 0.95 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.95 1jgn h LEU 76 CO 0.09 0.32 0.60 0.06 -0.34 0.00 0.00 178.44 179.17 1jgn h GLN 77 N -0.81 0.67 0.00 1.25 -0.00 -1.50 0.49 115.11 115.21 1jgn h GLN 77 Ca -0.02 -0.04 -0.04 0.00 -0.00 0.00 0.00 58.65 58.55 1jgn h GLN 77 Cb 0.52 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.48 27.85 1jgn h GLN 77 CO 0.04 0.44 -0.20 0.00 -0.00 0.00 0.00 178.83 179.11 1jgn h ALA 78 N 1.61 0.87 0.24 0.06 0.00 -1.44 -3.24 119.26 117.36 1jgn h ALA 78 Ca 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1jgn h ALA 78 Cb 0.87 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1jgn h ALA 78 CO -0.27 0.24 -0.11 1.25 0.00 0.00 0.00 179.25 180.36 1jgn h HIS 79 N 0.00 -0.29 0.00 0.00 2.76 0.26 -3.10 115.15 114.79 1jgn h HIS 79 Ca -0.00 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.16 1jgn h HIS 79 Cb 1.15 0.10 0.00 0.00 1.55 0.00 0.00 27.41 30.20 1jgn h HIS 79 CO 0.00 0.09 0.00 1.04 -1.30 0.00 0.00 177.93 177.76 1jgn n GLN 80 N -5.02 0.19 0.08 5.26 6.02 -0.33 -2.51 117.38 121.07 1jgn n GLN 80 Ca -0.08 0.16 -0.04 0.00 -0.01 0.00 0.00 57.00 57.03 1jgn n GLN 80 Cb 0.26 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.00 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 2.57 -0.49 -0.00 -1.58 0.00 -1.56 -2.82 119.26 115.38 1jgn h ALA 81 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jgn h ALA 81 Cb 0.10 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1jgn h ALA 81 CO 0.00 -0.47 -0.00 0.36 0.00 0.00 0.00 179.25 179.14 1jgn n LYS 82 N -3.31 0.59 -0.06 0.00 2.85 -1.22 -3.67 118.16 113.34 1jgn n LYS 82 Ca -0.03 -0.01 -0.19 0.00 -1.05 0.00 0.00 58.31 57.03 1jgn n LYS 82 Cb 0.09 -1.50 -0.13 0.00 -0.65 0.00 0.00 35.03 32.85 1jgn n LYS 82 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1jgn h GLU 83 N 0.03 0.07 0.00 -1.58 4.22 -1.58 -3.32 114.58 112.42 1jgn h GLU 83 Ca 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.32 1jgn h GLU 83 Cb 0.21 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1jgn h GLU 83 CO 0.00 1.06 0.00 0.00 -2.18 0.00 0.00 179.01 177.89 1jgn n ALA 84 N -2.98 2.13 -0.12 2.92 0.00 -1.07 -3.25 120.51 118.15 1jgn n ALA 84 Ca -0.21 -0.11 -0.10 0.00 0.00 0.00 0.00 53.44 53.02 1jgn n ALA 84 Cb 0.66 -1.32 -0.02 0.00 0.00 0.00 0.00 19.45 18.78 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 3.08 0.48 -1.82 0.00 0.00 -1.66 -3.38 119.26 115.95 1jgn h ALA 85 Ca 0.00 -0.17 -0.64 0.00 0.00 0.00 0.00 54.91 54.10 1jgn h ALA 85 Cb 0.09 -0.14 -0.15 0.00 0.00 0.00 0.00 17.79 17.59 1jgn h ALA 85 CO 0.00 0.13 0.42 1.14 0.00 0.00 0.00 179.25 180.94 1jgn s GLN 86 N -5.37 3.20 -0.26 0.00 -2.07 -1.20 -4.89 119.66 109.07 1jgn s GLN 86 Ca -0.13 -0.65 0.06 0.00 -1.82 0.00 0.00 55.36 52.82 1jgn s GLN 86 Cb 0.09 -4.13 0.52 0.00 -1.09 0.00 0.00 33.01 28.40 1jgn s GLN 86 CO 0.75 -1.54 1.54 1.63 -1.32 0.00 0.00 175.29 176.35 1jgn n LYS 87 N 7.21 2.66 -2.09 9.60 5.02 -1.26 -4.71 118.16 134.58 1jgn n LYS 87 Ca -0.03 -2.17 -0.42 0.00 -2.02 0.00 0.00 58.31 53.68 1jgn n LYS 87 Cb 0.46 -1.92 -0.00 0.00 -0.02 0.00 0.00 35.03 33.55 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 -0.21 5.89 -3.38 7.82 0.00 -1.26 -4.87 120.51 124.49 1jgn n ALA 88 Ca 0.33 -4.14 -0.45 0.00 0.00 0.00 0.00 53.44 49.18 1jgn n ALA 88 Cb 1.16 -3.05 -0.02 0.00 0.00 0.00 0.00 19.45 17.55 1jgn n ALA 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1jgn s VAL 89 N 0.58 5.57 -1.22 0.00 0.11 -1.26 -4.79 120.40 119.39 1jgn s VAL 89 Ca 0.46 -3.06 0.17 0.00 -2.93 0.00 0.00 61.98 56.62 1jgn s VAL 89 Cb 0.13 -4.40 0.55 0.00 -1.53 0.00 0.00 36.38 31.13 1jgn s VAL 89 CO -0.04 -1.10 1.47 0.59 -3.33 0.00 0.00 175.10 172.70 1jgn n ASN 90 N 3.22 3.89 -0.45 3.54 3.02 -1.26 -4.32 115.26 122.90 1jgn n ASN 90 Ca 0.19 -2.23 0.14 0.00 -0.03 0.00 0.00 54.58 52.64 1jgn n ASN 90 Cb 0.42 -0.44 0.54 0.00 -0.61 0.00 0.00 39.78 39.69 1jgn n ASN 90 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1jgn n SER 91 N 0.93 1.39 -2.39 6.41 7.64 -1.26 -4.90 113.62 121.44 1jgn n SER 91 Ca 0.21 -1.48 0.00 0.00 1.01 0.00 0.00 58.87 58.61 1jgn n SER 91 Cb 0.67 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1jgn n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jgn n ALA 92 N 0.09 0.00 -3.36 -0.43 0.00 -1.26 -5.11 120.51 110.44 1jgn n ALA 92 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1jgn n ALA 92 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1jgn n ALA 92 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1jgn n THR 93 N -1.77 0.00 0.00 0.00 -2.24 -1.26 -5.13 114.28 103.88 1jgn n THR 93 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1jgn n THR 93 Cb 0.00 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 67.91 1jgn n THR 93 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jgn n GLY 94 N 5.00 1.39 3.57 3.38 0.00 -1.26 -4.82 105.19 112.45 1jgn n GLY 94 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.40 -1.19 1.61 1.01 -1.26 -4.96 120.40 120.01 1jgn s VAL 95 Ca 0.00 0.88 -0.18 0.00 0.00 0.00 0.00 61.98 62.68 1jgn s VAL 95 Cb 0.00 -4.48 -0.03 0.00 0.00 0.00 0.00 36.38 31.87 1jgn s VAL 95 CO 0.00 -0.88 1.99 -2.65 0.00 0.00 0.00 175.10 173.57 1jgn n PRO 96 N 7.34 2.37 -3.42 2.72 -0.02 -1.26 -4.88 135.00 137.84 1jgn n PRO 96 Ca 0.08 -2.52 -0.44 0.00 -2.02 0.00 0.00 63.50 58.59 1jgn n PRO 96 Cb 0.49 -3.30 -0.05 0.00 -0.02 0.00 0.00 33.50 30.61 1jgn n PRO 96 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1jgn s THR 97 N 5.12 4.93 0.00 3.45 -4.23 -1.26 -5.23 115.64 118.43 1jgn s THR 97 Ca 0.55 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1jgn s THR 97 Cb 0.10 -4.14 0.00 0.00 1.34 0.00 0.00 72.50 69.79 1jgn s THR 97 CO 0.04 -0.90 0.28 1.33 -0.54 0.00 0.00 174.62 174.83