#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 0.03 1.61 0.11 -2.05 -2.45 132.00 129.25 1jgn h PRO 2 Ca 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 1jgn h PRO 2 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1jgn h PRO 2 CO 0.00 0.00 -0.57 -0.07 -0.21 0.00 0.00 178.00 177.15 1jgn h LEU 3 N 0.00 0.10 -5.09 2.35 3.38 -2.05 -3.37 115.31 110.63 1jgn h LEU 3 Ca 0.00 -0.86 -0.63 0.00 0.09 0.00 0.00 57.88 56.48 1jgn h LEU 3 Cb 0.04 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 1jgn h LEU 3 CO 0.00 1.24 2.62 0.61 0.09 0.00 0.00 178.44 183.00 1jgn n GLY 4 N 1.59 4.48 3.89 0.83 0.00 -0.92 -4.94 105.19 110.12 1jgn n GLY 4 Ca -0.18 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 1jgn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jgn s SER 5 N 1.36 6.54 0.00 1.61 1.04 -1.25 -4.58 113.70 118.41 1jgn s SER 5 Ca 0.63 0.64 0.03 0.00 0.48 0.00 0.00 55.95 57.73 1jgn s SER 5 Cb 0.21 -2.12 0.17 0.00 0.10 0.00 0.00 66.02 64.39 1jgn s SER 5 CO -0.08 0.12 0.65 -2.65 0.98 0.00 0.00 173.24 172.26 1jgn n PRO 6 N 0.50 0.49 -0.62 4.02 -0.02 -1.26 -3.90 135.00 134.21 1jgn n PRO 6 Ca -0.05 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.38 1jgn n PRO 6 Cb 0.52 -1.09 0.01 0.00 -0.02 0.00 0.00 33.50 32.92 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 -0.59 5.67 0.01 2.45 4.32 -1.26 -4.03 117.00 123.57 1jgn n LEU 7 Ca 0.02 -2.67 -0.13 0.00 -0.02 0.00 0.00 56.01 53.21 1jgn n LEU 7 Cb 0.01 -1.11 -0.14 0.00 -1.62 0.00 0.00 43.42 40.57 1jgn n LEU 7 CO 0.02 1.07 -0.47 0.00 -1.22 0.00 0.00 177.39 176.79 1jgn h THR 8 N 1.00 0.96 -0.71 -5.08 1.03 -1.97 -3.09 112.91 105.04 1jgn h THR 8 Ca 0.09 -2.73 0.02 0.00 -0.01 0.00 0.00 66.41 63.78 1jgn h THR 8 Cb 0.97 2.55 -0.04 0.00 -1.07 0.00 0.00 68.15 70.57 1jgn h THR 8 CO 0.23 0.68 0.47 0.00 -0.01 0.00 0.00 175.52 176.89 1jgn h ALA 9 N 0.72 1.53 -0.24 0.00 0.00 -1.94 0.12 119.26 119.45 1jgn h ALA 9 Ca -0.27 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.47 1jgn h ALA 9 Cb 1.99 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1jgn h ALA 9 CO 0.10 0.41 -0.36 1.03 0.00 0.00 0.00 179.25 180.43 1jgn h SER 10 N 0.92 0.56 -0.35 0.00 0.87 -1.87 -2.58 113.55 111.10 1jgn h SER 10 Ca 0.27 -0.24 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 1jgn h SER 10 Cb -0.04 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 61.74 1jgn h SER 10 CO -0.07 0.88 0.03 0.24 -0.53 0.00 0.00 176.83 177.38 1jgn h MET 11 N 0.45 0.70 -0.50 2.24 2.86 -0.93 -2.41 114.93 117.34 1jgn h MET 11 Ca 0.05 -0.16 0.10 0.00 -2.06 0.00 0.00 59.70 57.62 1jgn h MET 11 Cb 0.84 -0.09 -0.08 0.00 0.06 0.00 0.00 31.60 32.33 1jgn h MET 11 CO 0.07 0.70 0.03 -0.07 1.06 0.00 0.00 176.91 178.70 1jgn h LEU 12 N 0.67 -0.15 -1.10 1.22 4.07 -0.44 0.64 115.31 120.22 1jgn h LEU 12 Ca 0.14 0.11 -0.08 0.00 0.08 0.00 0.00 57.88 58.13 1jgn h LEU 12 Cb 0.37 0.19 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 1jgn h LEU 12 CO 0.01 -0.04 -0.18 0.00 -1.08 0.00 0.00 178.44 177.15 1jgn h ALA 13 N 1.43 1.25 -0.75 1.53 0.00 -1.43 -2.79 119.26 118.50 1jgn h ALA 13 Ca 0.26 -0.29 -0.27 0.00 0.00 0.00 0.00 54.91 54.61 1jgn h ALA 13 Cb 0.38 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 17.89 1jgn h ALA 13 CO -0.39 0.49 0.32 0.43 0.00 0.00 0.00 179.25 180.09 1jgn n SER 14 N -4.18 4.46 -3.72 0.00 7.64 0.22 -4.87 113.62 113.17 1jgn n SER 14 Ca -0.00 -3.33 -0.21 0.00 1.01 0.00 0.00 58.87 56.34 1jgn n SER 14 Cb 0.34 -0.75 -0.18 0.00 -1.01 0.00 0.00 64.21 62.62 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 -3.07 0.43 1.14 -0.43 0.00 0.20 -4.96 121.76 115.08 1jgn s ALA 15 Ca 0.55 0.06 -0.13 0.00 0.00 0.00 0.00 51.96 52.43 1jgn s ALA 15 Cb 0.44 -0.66 0.26 0.00 0.00 0.00 0.00 23.12 23.16 1jgn s ALA 15 CO 0.12 -0.46 0.99 -0.35 0.00 0.00 0.00 175.76 176.05 1jgn n PRO 16 N 5.20 -2.19 -0.34 0.00 -0.04 -1.26 -4.79 135.00 131.59 1jgn n PRO 16 Ca -0.05 -0.60 0.05 0.00 -0.04 0.00 0.00 63.50 62.85 1jgn n PRO 16 Cb 0.50 -2.17 0.20 0.00 -0.04 0.00 0.00 33.50 31.99 1jgn n PRO 16 CO 0.00 0.00 0.00 -1.35 -0.04 0.00 0.00 175.50 174.11 1jgn h PRO 17 N -2.57 0.91 0.00 0.54 0.11 -2.01 0.12 132.00 129.10 1jgn h PRO 17 Ca -0.59 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.47 1jgn h PRO 17 Cb 1.33 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1jgn h PRO 17 CO 0.47 0.60 0.00 1.04 -0.21 0.00 0.00 178.00 179.91 1jgn n GLN 18 N -4.65 0.07 -0.39 1.05 6.02 -1.26 -2.54 117.38 115.68 1jgn n GLN 18 Ca 0.16 0.15 0.05 0.00 -0.01 0.00 0.00 57.00 57.36 1jgn n GLN 18 Cb 0.30 -1.50 0.22 0.00 1.02 0.00 0.00 30.24 30.28 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 -1.45 2.70 -0.00 -1.09 4.07 0.42 -4.35 120.64 120.94 1jgn n GLU 19 Ca 0.06 -1.72 -0.11 0.00 -0.06 0.00 0.00 57.16 55.33 1jgn n GLU 19 Cb 0.21 -1.67 -0.05 0.00 -0.06 0.00 0.00 31.44 29.87 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 2.44 0.09 -0.08 5.31 -0.00 -1.57 -1.59 115.11 119.71 1jgn h GLN 20 Ca 0.00 -0.01 0.02 0.00 -0.00 0.00 0.00 58.65 58.67 1jgn h GLN 20 Cb 1.00 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.48 28.46 1jgn h GLN 20 CO 0.16 0.06 0.18 -0.22 -0.00 0.00 0.00 178.83 179.00 1jgn h LYS 21 N 0.10 0.00 0.00 0.06 3.11 -1.71 0.53 116.57 118.65 1jgn h LYS 21 Ca 0.05 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 1jgn h LYS 21 Cb 0.02 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.25 1jgn h LYS 21 CO -0.04 0.00 0.00 0.94 -2.81 0.00 0.00 179.45 177.54 1jgn n GLN 22 N -3.35 0.00 0.00 1.90 7.27 -0.61 -4.16 117.38 118.44 1jgn n GLN 22 Ca -0.01 0.17 0.00 0.00 0.07 0.00 0.00 57.00 57.24 1jgn n GLN 22 Cb 0.26 -0.85 0.00 0.00 2.41 0.00 0.00 30.24 32.06 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 -1.02 0.00 0.00 3.69 0.00 -1.16 -4.21 117.12 114.42 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 -0.11 0.08 0.00 0.00 0.00 0.00 33.22 33.20 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 -1.22 -4.81 117.00 114.14 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 -0.72 3.03 0.01 1.47 0.00 0.17 -1.28 105.19 107.87 1jgn n GLY 25 Ca 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.89 -2.91 114.58 114.44 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 -2.24 0.00 0.00 2.33 3.00 -0.73 -4.90 116.66 114.12 1jgn n ARG 27 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 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 -0.32 6.15 4.77 -0.41 -3.35 117.00 123.84 1jgn n LEU 28 Ca 0.00 0.76 0.13 0.00 -0.03 0.00 0.00 56.01 56.87 1jgn n LEU 28 Cb 0.47 -0.26 0.26 0.00 -2.33 0.00 0.00 43.42 41.55 1jgn n LEU 28 CO 0.00 -0.26 0.72 0.33 -1.33 0.00 0.00 177.39 176.85 1jgn n PHE 29 N -1.34 0.56 -0.30 -1.77 -0.00 -1.23 -0.51 117.46 112.86 1jgn n PHE 29 Ca 0.00 1.12 -0.00 0.00 -0.00 0.00 0.00 57.45 58.57 1jgn n PHE 29 Cb 0.00 -1.18 0.13 0.00 -0.00 0.00 0.00 39.48 38.43 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 0.93 -0.22 -7.13 0.11 -1.83 1.89 132.00 125.74 1jgn h PRO 30 Ca 0.55 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.48 1jgn h PRO 30 Cb 1.10 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 1jgn h PRO 30 CO -0.88 0.61 -0.33 -0.07 -0.21 0.00 0.00 178.00 177.12 1jgn h LEU 31 N 0.95 0.67 -0.25 2.35 3.38 -0.80 -2.59 115.31 119.03 1jgn h LEU 31 Ca 0.35 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1jgn h LEU 31 Cb 0.13 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1jgn h LEU 31 CO -0.16 1.06 0.00 0.40 0.09 0.00 0.00 178.44 179.83 1jgn h ILE 32 N 0.30 0.00 -0.41 1.22 2.04 -1.02 -2.80 117.51 116.84 1jgn h ILE 32 Ca 0.02 -0.47 -0.04 0.00 1.00 0.00 0.00 64.86 65.37 1jgn h ILE 32 Cb 0.92 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 1jgn h ILE 32 CO 0.08 0.00 0.09 -0.61 0.00 0.00 0.00 178.15 177.71 1jgn h GLN 33 N 0.00 0.61 -0.01 2.37 4.15 0.34 1.34 115.11 123.91 1jgn h GLN 33 Ca 0.00 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.19 1jgn h GLN 33 Cb 0.66 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.24 1jgn h GLN 33 CO 0.00 0.57 -0.56 0.00 -1.93 0.00 0.00 178.83 176.91 1jgn h ALA 34 N 1.50 1.06 -0.77 3.38 0.00 -1.38 -2.41 119.26 120.64 1jgn h ALA 34 Ca 0.14 -0.51 -0.24 0.00 0.00 0.00 0.00 54.91 54.29 1jgn h ALA 34 Cb 0.25 -0.09 -0.14 0.00 0.00 0.00 0.00 17.79 17.80 1jgn h ALA 34 CO -0.00 0.70 0.30 -1.33 0.00 0.00 0.00 179.25 178.93 1jgn n MET 35 N -3.87 3.68 0.14 0.00 2.81 0.30 -4.56 117.12 115.62 1jgn n MET 35 Ca -0.01 -3.10 0.03 0.00 -1.81 0.00 0.00 57.70 52.80 1jgn n MET 35 Cb 0.57 -2.23 0.40 0.00 -0.71 0.00 0.00 33.22 31.25 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 2.61 0.18 -1.42 2.03 -0.00 0.22 -3.01 115.15 115.74 1jgn h HIS 36 Ca 0.30 -0.02 0.41 0.00 -0.00 0.00 0.00 60.37 61.06 1jgn h HIS 36 Cb 2.40 -0.05 -0.06 0.00 -0.00 0.00 0.00 27.41 29.71 1jgn h HIS 36 CO 1.33 0.34 1.24 -2.30 -0.00 0.00 0.00 177.93 178.55 1jgn n PRO 37 N -4.26 0.01 0.00 5.12 -0.02 -1.26 -2.48 135.00 132.10 1jgn n PRO 37 Ca -0.01 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 1jgn n PRO 37 Cb 0.28 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 -3.46 0.00 -2.71 3.45 -1.04 -1.14 -4.97 114.28 104.41 1jgn n THR 38 Ca 0.32 0.03 -0.03 0.00 -2.04 0.00 0.00 64.05 62.33 1jgn n THR 38 Cb 1.67 -0.14 0.11 0.00 -1.82 0.00 0.00 70.33 70.14 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 0.00 -0.73 -4.38 -4.42 4.32 -1.04 -5.09 117.00 105.67 1jgn n LEU 39 Ca 0.00 -3.25 -0.51 0.00 -0.02 0.00 0.00 56.01 52.23 1jgn n LEU 39 Cb 0.00 0.18 -0.12 0.00 -1.62 0.00 0.00 43.42 41.86 1jgn n LEU 39 CO 0.00 1.60 1.93 0.00 -1.22 0.00 0.00 177.39 179.70 1jgn n ALA 40 N -1.10 0.37 0.00 -1.18 0.00 -1.23 -3.44 120.51 113.93 1jgn n ALA 40 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1jgn n ALA 40 Cb 0.85 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 18.05 1jgn n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jgn n GLY 41 N 6.96 -1.10 0.09 0.00 0.00 -1.26 -4.73 105.19 105.15 1jgn n GLY 41 Ca 0.57 0.46 -0.06 0.00 0.00 0.00 0.00 46.02 46.98 1jgn n GLY 41 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1jgn h LYS 42 N 0.00 0.04 0.33 1.61 1.63 -1.97 -3.32 116.57 114.89 1jgn h LYS 42 Ca 0.00 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 59.74 1jgn h LYS 42 Cb 0.00 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.62 1jgn h LYS 42 CO 0.00 0.92 -0.40 0.82 -3.45 0.00 0.00 179.45 177.34 1jgn h ILE 43 N 0.02 0.00 -0.96 2.00 2.04 -1.91 -2.01 117.51 116.68 1jgn h ILE 43 Ca -0.02 0.00 0.26 0.00 1.00 0.00 0.00 64.86 66.10 1jgn h ILE 43 Cb 1.60 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 37.55 1jgn h ILE 43 CO 0.12 0.00 0.50 0.00 0.00 0.00 0.00 178.15 178.77 1jgn h THR 44 N -0.75 0.44 0.22 -0.27 1.03 -1.94 -1.29 112.91 110.35 1jgn h THR 44 Ca -0.04 -0.15 -0.00 0.00 -0.01 0.00 0.00 66.41 66.21 1jgn h THR 44 Cb 0.67 -0.03 -0.02 0.00 -1.07 0.00 0.00 68.15 67.70 1jgn h THR 44 CO -0.09 0.08 -0.33 1.23 -0.01 0.00 0.00 175.52 176.40 1jgn h GLY 45 N 0.43 -1.12 0.56 2.99 0.00 -1.48 0.59 103.07 105.05 1jgn h GLY 45 Ca 0.64 0.54 0.04 0.00 0.00 0.00 0.00 47.33 48.54 1jgn h GLY 45 CO -0.54 -0.34 -0.10 -0.33 0.00 0.00 0.00 176.54 175.23 1jgn h MET 46 N -0.57 -0.11 0.00 4.80 2.86 -0.75 -0.98 114.93 120.18 1jgn h MET 46 Ca -0.02 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1jgn h MET 46 Cb 0.53 0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.21 1jgn h MET 46 CO -0.10 -0.07 0.00 1.28 1.06 0.00 0.00 176.91 179.08 1jgn n LEU 47 N -5.25 0.00 0.05 1.22 7.99 -0.58 -3.50 117.00 116.94 1jgn n LEU 47 Ca -0.03 0.00 0.07 0.00 -0.01 0.00 0.00 56.01 56.04 1jgn n LEU 47 Cb 0.17 0.00 0.32 0.00 -0.11 0.00 0.00 43.42 43.80 1jgn n LEU 47 CO 0.24 0.00 0.72 -0.11 -1.51 0.00 0.00 177.39 176.73 1jgn n LEU 48 N -0.76 0.23 -0.18 2.23 -0.00 0.20 -1.75 117.00 116.98 1jgn n LEU 48 Ca 0.12 0.57 0.00 0.00 -0.00 0.00 0.00 56.01 56.70 1jgn n LEU 48 Cb 0.05 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 42.91 1jgn n LEU 48 CO 0.09 -0.48 0.30 -0.62 -0.00 0.00 0.00 177.39 176.68 1jgn n GLU 49 N -1.78 0.73 -2.60 1.96 -0.58 -1.23 -4.80 120.64 112.35 1jgn n GLU 49 Ca 0.02 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.46 1jgn n GLU 49 Cb 0.13 -1.13 -0.02 0.00 -0.57 0.00 0.00 31.44 29.85 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 -1.65 4.78 0.67 -3.67 2.07 -0.72 -5.06 121.20 117.62 1jgn s ILE 50 Ca 0.00 0.62 -0.14 0.00 -1.41 0.00 0.00 60.65 59.72 1jgn s ILE 50 Cb 0.00 -3.79 0.00 0.00 0.13 0.00 0.00 42.46 38.81 1jgn s ILE 50 CO 0.00 -0.72 1.09 -1.81 -1.91 0.00 0.00 174.94 171.59 1jgn s ASP 51 N -3.54 5.19 0.30 4.50 1.11 -1.26 -4.94 116.67 118.02 1jgn s ASP 51 Ca 0.52 1.88 0.19 0.00 0.18 0.00 0.00 52.55 55.32 1jgn s ASP 51 Cb -0.10 -2.54 0.13 0.00 1.07 0.00 0.00 42.92 41.48 1jgn s ASP 51 CO 0.38 -1.58 1.38 0.78 1.18 0.00 0.00 175.17 177.31 1jgn h ASN 52 N -0.16 0.00 0.13 0.27 4.21 -1.97 -2.53 115.58 115.54 1jgn h ASN 52 Ca -0.46 0.00 -0.22 0.00 1.21 0.00 0.00 56.30 56.83 1jgn h ASN 52 Cb 1.23 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 38.44 1jgn h ASN 52 CO 0.55 0.28 -0.86 0.28 -1.29 0.00 0.00 177.43 176.39 1jgn h SER 53 N 0.00 0.69 1.31 5.81 0.02 -2.00 -3.09 113.55 116.29 1jgn h SER 53 Ca -0.02 -0.50 -0.04 0.00 -0.84 0.00 0.00 61.79 60.39 1jgn h SER 53 Cb 1.23 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 1jgn h SER 53 CO 0.03 1.28 -0.19 -0.33 -1.14 0.00 0.00 176.83 176.48 1jgn h GLU 54 N 0.35 0.00 -0.15 3.45 5.08 -1.95 -3.13 114.58 118.24 1jgn h GLU 54 Ca -0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1jgn h GLU 54 Cb 1.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 1jgn h GLU 54 CO 0.16 0.19 0.06 1.37 -1.00 0.00 0.00 179.01 179.80 1jgn h LEU 55 N 0.00 0.20 -0.72 1.33 8.10 -1.37 -2.06 115.31 120.80 1jgn h LEU 55 Ca -0.00 -0.15 0.08 0.00 0.11 0.00 0.00 57.88 57.92 1jgn h LEU 55 Cb 0.90 -0.05 -0.07 0.00 -0.44 0.00 0.00 40.66 41.00 1jgn h LEU 55 CO 0.03 0.30 0.37 0.25 -4.11 0.00 0.00 178.44 175.28 1jgn h LEU 56 N 0.09 0.51 -0.90 0.17 5.85 -1.53 -0.93 115.31 118.58 1jgn h LEU 56 Ca 0.05 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.86 1jgn h LEU 56 Cb 0.16 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1jgn h LEU 56 CO -0.00 0.30 0.58 0.45 -0.34 0.00 0.00 178.44 179.43 1jgn h HIS 57 N 0.65 1.09 -0.67 1.25 3.86 -1.50 -1.63 115.15 118.19 1jgn h HIS 57 Ca 0.34 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.59 1jgn h HIS 57 Cb 0.32 -0.36 -0.03 0.00 1.06 0.00 0.00 27.41 28.40 1jgn h HIS 57 CO -0.09 0.61 0.44 0.52 0.86 0.00 0.00 177.93 180.27 1jgn h MET 58 N 1.11 0.89 0.00 2.45 2.86 -0.47 0.17 114.93 121.94 1jgn h MET 58 Ca 0.37 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1jgn h MET 58 Cb 0.03 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.50 1jgn h MET 58 CO -0.13 0.59 0.00 1.25 1.06 0.00 0.00 176.91 179.68 1jgn h LEU 59 N 0.91 0.00 -1.02 1.22 6.46 -0.80 -2.90 115.31 119.18 1jgn h LEU 59 Ca 0.24 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 1jgn h LEU 59 Cb -0.09 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.84 1jgn h LEU 59 CO -0.05 0.00 -0.25 -0.62 -0.62 0.00 0.00 178.44 176.90 1jgn n GLU 60 N -3.06 1.63 -3.85 1.25 1.02 -0.46 -4.76 120.64 112.40 1jgn n GLU 60 Ca 0.01 -0.92 -0.28 0.00 -0.02 0.00 0.00 57.16 55.95 1jgn n GLU 60 Cb 0.32 -1.26 -0.12 0.00 -0.02 0.00 0.00 31.44 30.36 1jgn n GLU 60 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jgn s SER 61 N -1.72 4.33 0.47 1.62 0.15 -0.08 -4.93 113.70 113.54 1jgn s SER 61 Ca 0.14 -3.51 0.12 0.00 0.70 0.00 0.00 55.95 53.39 1jgn s SER 61 Cb 0.12 -1.49 1.08 0.00 -1.71 0.00 0.00 66.02 64.03 1jgn s SER 61 CO 0.34 -0.14 2.11 -0.65 1.20 0.00 0.00 173.24 176.10 1jgn h PRO 62 N 5.76 0.26 0.01 5.44 0.11 -1.86 0.28 132.00 142.00 1jgn h PRO 62 Ca 0.10 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 1jgn h PRO 62 Cb 0.81 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1jgn h PRO 62 CO 0.66 0.17 -0.13 0.93 -0.21 0.00 0.00 178.00 179.43 1jgn h GLU 63 N 0.26 0.06 0.13 1.05 5.08 -1.93 -2.97 114.58 116.26 1jgn h GLU 63 Ca 0.07 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1jgn h GLU 63 Cb -0.02 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1jgn h GLU 63 CO -0.02 0.95 -0.06 0.77 -1.00 0.00 0.00 179.01 179.65 1jgn h SER 64 N -0.79 -0.15 0.63 1.42 0.02 -1.91 -2.93 113.55 109.84 1jgn h SER 64 Ca -0.02 -0.38 -0.03 0.00 -0.84 0.00 0.00 61.79 60.53 1jgn h SER 64 Cb 1.01 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.59 1jgn h SER 64 CO 0.02 0.35 -0.39 0.25 -1.14 0.00 0.00 176.83 175.92 1jgn h LEU 65 N -0.71 -0.98 -1.43 5.07 7.12 -0.63 -0.18 115.31 123.58 1jgn h LEU 65 Ca -0.02 0.05 0.23 0.00 0.13 0.00 0.00 57.88 58.28 1jgn h LEU 65 Cb 0.52 0.29 -0.08 0.00 -0.53 0.00 0.00 40.66 40.86 1jgn h LEU 65 CO 0.03 -0.60 0.63 -0.09 -0.13 0.00 0.00 178.44 178.29 1jgn h ARG 66 N -0.95 0.41 -0.31 1.25 2.43 -1.66 0.72 114.38 116.27 1jgn h ARG 66 Ca -0.08 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 58.95 1jgn h ARG 66 Cb 0.76 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.21 1jgn h ARG 66 CO 0.08 0.27 -0.27 0.77 -1.51 0.00 0.00 179.97 179.32 1jgn h SER 67 N 0.42 0.65 0.54 -3.80 0.02 -1.28 0.26 113.55 110.36 1jgn h SER 67 Ca 0.53 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 61.21 1jgn h SER 67 Cb 1.30 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 63.67 1jgn h SER 67 CO -0.23 0.89 -0.26 0.50 -1.14 0.00 0.00 176.83 176.59 1jgn h LYS 68 N 0.55 -0.70 0.00 3.45 3.64 0.22 -2.74 116.57 120.99 1jgn h LYS 68 Ca 0.07 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1jgn h LYS 68 Cb 0.75 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 1jgn h LYS 68 CO 0.06 -0.40 0.00 0.28 -2.27 0.00 0.00 179.45 177.12 1jgn h VAL 69 N -1.04 0.00 -0.22 2.00 2.07 -0.88 -2.04 116.25 116.14 1jgn h VAL 69 Ca -0.07 -0.15 0.03 0.00 0.82 0.00 0.00 66.70 67.33 1jgn h VAL 69 Cb 0.63 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 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 0.77 0.57 1.82 -0.16 0.24 116.42 119.66 1jgn h ASP 70 Ca 0.00 0.04 -0.02 0.00 -0.39 0.00 0.00 57.03 56.66 1jgn h ASP 70 Cb 0.20 0.05 -0.00 0.00 0.68 0.00 0.00 39.33 40.26 1jgn h ASP 70 CO 0.00 0.03 -0.08 -0.08 -1.61 0.00 0.00 179.24 177.49 1jgn h GLU 71 N 0.12 0.00 0.10 0.28 4.81 -1.34 -2.99 114.58 115.55 1jgn h GLU 71 Ca 0.10 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1jgn h GLU 71 Cb 0.11 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1jgn h GLU 71 CO -0.14 0.08 -0.05 0.00 -0.73 0.00 0.00 179.01 178.18 1jgn h ALA 72 N 1.92 -0.13 -0.35 2.92 0.00 -0.45 -0.53 119.26 122.63 1jgn h ALA 72 Ca -0.00 -0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.90 1jgn h ALA 72 Cb 0.50 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1jgn h ALA 72 CO 0.01 -0.47 0.27 -0.39 0.00 0.00 0.00 179.25 178.67 1jgn h VAL 73 N -0.33 0.74 -0.08 0.00 -1.51 -1.00 0.29 116.25 114.37 1jgn h VAL 73 Ca -0.01 0.00 -0.13 0.00 -1.23 0.00 0.00 66.70 65.33 1jgn h VAL 73 Cb 0.27 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 30.23 1jgn h VAL 73 CO 0.02 0.00 -0.53 0.00 -1.23 0.00 0.00 177.57 175.83 1jgn h ALA 74 N 1.79 0.95 -0.54 5.19 0.00 -1.27 -2.70 119.26 122.69 1jgn h ALA 74 Ca 0.17 -0.50 0.08 0.00 0.00 0.00 0.00 54.91 54.66 1jgn h ALA 74 Cb 0.71 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1jgn h ALA 74 CO -0.00 0.68 0.36 -0.39 0.00 0.00 0.00 179.25 179.90 1jgn h VAL 75 N 0.17 0.93 -0.10 0.00 -1.51 0.11 0.22 116.25 116.07 1jgn h VAL 75 Ca 0.00 -0.14 -0.02 0.00 -1.23 0.00 0.00 66.70 65.32 1jgn h VAL 75 Cb 1.00 0.49 -0.00 0.00 -2.13 0.00 0.00 31.29 30.64 1jgn h VAL 75 CO 0.08 0.07 -0.01 -0.07 -1.23 0.00 0.00 177.57 176.42 1jgn h LEU 76 N 0.41 0.18 -1.33 4.19 3.38 -1.42 0.27 115.31 120.99 1jgn h LEU 76 Ca 0.24 -0.33 0.13 0.00 0.09 0.00 0.00 57.88 58.02 1jgn h LEU 76 Cb 0.43 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1jgn h LEU 76 CO -0.06 0.46 0.55 1.56 0.09 0.00 0.00 178.44 181.04 1jgn h GLN 77 N -0.11 0.66 0.00 1.13 1.08 -0.80 0.20 115.11 117.27 1jgn h GLN 77 Ca 0.03 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.17 1jgn h GLN 77 Cb 0.38 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.65 1jgn h GLN 77 CO 0.01 0.44 -0.25 0.00 -0.95 0.00 0.00 178.83 178.07 1jgn h ALA 78 N 1.60 0.87 0.11 3.87 0.00 -0.40 -3.29 119.26 122.02 1jgn h ALA 78 Ca 0.42 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1jgn h ALA 78 Cb 0.65 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1jgn h ALA 78 CO -0.18 0.09 -0.06 1.25 0.00 0.00 0.00 179.25 180.35 1jgn h HIS 79 N 0.00 -0.15 0.00 0.00 -0.00 0.28 -1.52 115.15 113.76 1jgn h HIS 79 Ca -0.00 -0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1jgn h HIS 79 Cb 1.06 0.05 0.00 0.00 -0.00 0.00 0.00 27.41 28.52 1jgn h HIS 79 CO 0.00 -0.09 0.00 1.04 -0.00 0.00 0.00 177.93 178.88 1jgn n GLN 80 N -2.47 0.02 -0.00 5.26 6.02 -1.15 -1.61 117.38 123.45 1jgn n GLN 80 Ca -0.02 0.38 -0.00 0.00 -0.01 0.00 0.00 57.00 57.35 1jgn n GLN 80 Cb 0.06 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.82 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 2.19 -0.02 0.00 -1.58 0.00 -1.53 -2.95 119.26 115.36 1jgn h ALA 81 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1jgn h ALA 81 Cb 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1jgn h ALA 81 CO 0.00 -0.02 -0.14 -0.22 0.00 0.00 0.00 179.25 178.86 1jgn h LYS 82 N -0.06 0.00 -0.02 0.00 3.64 -1.27 -1.76 116.57 117.10 1jgn h LYS 82 Ca -0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1jgn h LYS 82 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1jgn h LYS 82 CO 0.00 0.14 -0.23 1.49 -2.27 0.00 0.00 179.45 178.58 1jgn h GLU 83 N 0.00 0.19 0.00 1.90 4.81 -1.47 -3.19 114.58 116.81 1jgn h GLU 83 Ca -0.00 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1jgn h GLU 83 Cb 0.52 0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1jgn h GLU 83 CO 0.02 0.88 0.00 0.00 -0.73 0.00 0.00 179.01 179.17 1jgn n ALA 84 N -2.51 2.51 -0.02 2.92 0.00 -1.12 -3.29 120.51 119.00 1jgn n ALA 84 Ca -0.09 -0.15 -0.16 0.00 0.00 0.00 0.00 53.44 53.04 1jgn n ALA 84 Cb 0.47 -1.49 -0.09 0.00 0.00 0.00 0.00 19.45 18.34 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 3.50 0.17 0.00 0.00 0.00 -1.31 -3.06 119.26 118.57 1jgn h ALA 85 Ca 0.00 -0.51 -0.19 0.00 0.00 0.00 0.00 54.91 54.22 1jgn h ALA 85 Cb 0.25 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1jgn h ALA 85 CO 0.00 0.35 -0.99 1.96 0.00 0.00 0.00 179.25 180.58 1jgn h GLN 86 N 0.06 0.00 -0.04 0.00 4.20 -1.64 -3.21 115.11 114.49 1jgn h GLN 86 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1jgn h GLN 86 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 1jgn h GLN 86 CO 0.10 0.74 0.00 1.17 -0.67 0.00 0.00 178.83 180.17 1jgn n LYS 87 N -3.24 1.09 -1.12 1.46 4.81 -1.21 -4.11 118.16 115.85 1jgn n LYS 87 Ca -0.02 -0.15 -0.20 0.00 -0.87 0.00 0.00 58.31 57.07 1jgn n LYS 87 Cb 0.89 -1.11 -0.02 0.00 0.02 0.00 0.00 35.03 34.81 1jgn n LYS 87 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1jgn n ALA 88 N -0.46 5.70 -2.69 3.14 0.00 -1.16 -4.91 120.51 120.15 1jgn n ALA 88 Ca 0.05 -2.15 -0.37 0.00 0.00 0.00 0.00 53.44 50.97 1jgn n ALA 88 Cb 0.05 -1.74 -0.08 0.00 0.00 0.00 0.00 19.45 17.68 1jgn n ALA 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1jgn s VAL 89 N -1.93 5.31 -2.23 0.00 -7.23 -1.26 -4.96 120.40 108.12 1jgn s VAL 89 Ca 0.44 0.40 0.21 0.00 -1.81 0.00 0.00 61.98 61.21 1jgn s VAL 89 Cb 0.30 -3.58 0.48 0.00 0.56 0.00 0.00 36.38 34.14 1jgn s VAL 89 CO -0.09 0.34 1.45 0.59 -0.31 0.00 0.00 175.10 177.08 1jgn n ASN 90 N 4.08 3.09 0.00 4.85 3.02 -1.26 -4.09 115.26 124.95 1jgn n ASN 90 Ca -0.13 -1.95 0.14 0.00 -0.03 0.00 0.00 54.58 52.61 1jgn n ASN 90 Cb 0.52 -0.30 0.75 0.00 -0.61 0.00 0.00 39.78 40.13 1jgn n ASN 90 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1jgn n SER 91 N 1.22 0.00 0.24 6.41 3.41 -1.26 -3.23 113.62 120.41 1jgn n SER 91 Ca 0.19 -0.21 0.16 0.00 -0.26 0.00 0.00 58.87 58.75 1jgn n SER 91 Cb 0.52 -0.26 0.62 0.00 -0.26 0.00 0.00 64.21 64.84 1jgn n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jgn h ALA 92 N 3.42 1.00 -2.38 7.33 0.00 -2.02 -3.44 119.26 123.17 1jgn h ALA 92 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1jgn h ALA 92 Cb 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1jgn h ALA 92 CO 0.00 0.00 -0.55 0.95 0.00 0.00 0.00 179.25 179.65 1jgn s THR 93 N -3.56 4.34 -0.94 0.00 -4.23 -1.20 -5.05 115.64 105.00 1jgn s THR 93 Ca 0.02 -1.35 -0.24 0.00 -1.18 0.00 0.00 61.69 58.94 1jgn s THR 93 Cb 0.09 -3.30 0.05 0.00 1.34 0.00 0.00 72.50 70.68 1jgn s THR 93 CO 0.51 -0.27 1.38 -0.83 -0.54 0.00 0.00 174.62 174.87 1jgn s GLY 94 N -3.56 1.22 0.06 3.99 0.00 -1.26 -4.99 107.32 102.78 1jgn s GLY 94 Ca 0.32 -2.09 0.02 0.00 0.00 0.00 0.00 44.72 42.98 1jgn s GLY 94 CO 0.24 2.62 0.09 -1.34 0.00 0.00 0.00 173.10 174.71 1jgn s VAL 95 N 4.98 4.62 0.00 1.40 -7.23 -1.26 -5.12 120.40 117.78 1jgn s VAL 95 Ca 0.42 -0.68 0.00 0.00 -1.81 0.00 0.00 61.98 59.91 1jgn s VAL 95 Cb -0.02 -3.21 0.00 0.00 0.56 0.00 0.00 36.38 33.71 1jgn s VAL 95 CO -0.04 0.17 0.00 -2.65 -0.31 0.00 0.00 175.10 172.27 1jgn n PRO 96 N 0.58 0.86 -1.21 4.82 -0.02 -1.26 -5.05 135.00 133.71 1jgn n PRO 96 Ca -0.09 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.26 1jgn n PRO 96 Cb 0.52 0.00 0.08 0.00 -0.02 0.00 0.00 33.50 34.08 1jgn n PRO 96 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1jgn n THR 97 N -0.85 0.00 -0.17 3.45 -2.24 -1.26 -5.25 114.28 107.96 1jgn n THR 97 Ca 0.00 -0.61 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1jgn n THR 97 Cb 0.00 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 66.73 1jgn n THR 97 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83