#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 -7.72 1.61 0.13 -2.08 -3.45 132.00 120.49 1jgn h PRO 2 Ca 0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.68 1jgn h PRO 2 Cb 0.00 0.00 0.16 0.00 0.13 0.00 0.00 31.00 31.29 1jgn h PRO 2 CO 0.00 0.02 0.37 -0.51 -0.23 0.00 0.00 178.00 177.65 1jgn s LEU 3 N -6.22 2.79 -0.02 1.56 1.02 -1.26 -5.07 118.68 111.48 1jgn s LEU 3 Ca 0.04 0.05 -0.01 0.00 0.02 0.00 0.00 54.13 54.22 1jgn s LEU 3 Cb 0.07 -2.07 -0.00 0.00 0.02 0.00 0.00 46.19 44.21 1jgn s LEU 3 CO 0.60 -2.70 -0.03 0.61 0.02 0.00 0.00 176.35 174.86 1jgn n GLY 4 N -3.66 -0.58 3.76 -3.19 0.00 -1.26 -4.94 105.19 95.33 1jgn n GLY 4 Ca 0.16 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.85 6.80 0.68 1.61 0.01 -1.26 -5.09 113.70 112.61 1jgn s SER 5 Ca -0.02 0.95 0.00 0.00 1.31 0.00 0.00 55.95 58.19 1jgn s SER 5 Cb 0.00 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.93 1jgn s SER 5 CO 0.03 0.10 0.00 -0.81 0.41 0.00 0.00 173.24 172.98 1jgn n PRO 6 N 2.97 -0.35 -2.73 12.44 -0.04 -1.26 -4.96 135.00 141.07 1jgn n PRO 6 Ca -0.09 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.95 1jgn n PRO 6 Cb 0.52 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.95 1jgn n PRO 6 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jgn s LEU 7 N 0.00 4.17 0.02 1.53 1.02 -1.26 -4.92 118.68 119.25 1jgn s LEU 7 Ca 0.00 1.38 0.13 0.00 0.02 0.00 0.00 54.13 55.66 1jgn s LEU 7 Cb 0.00 -3.47 -0.19 0.00 0.02 0.00 0.00 46.19 42.55 1jgn s LEU 7 CO 0.00 -0.52 0.85 0.00 0.02 0.00 0.00 176.35 176.70 1jgn h THR 8 N 5.26 0.92 -0.94 5.49 1.03 -1.94 -3.06 112.91 119.67 1jgn h THR 8 Ca -0.26 -2.65 0.02 0.00 -0.01 0.00 0.00 66.41 63.51 1jgn h THR 8 Cb 1.11 2.41 -0.05 0.00 -1.07 0.00 0.00 68.15 70.55 1jgn h THR 8 CO 0.90 0.53 0.62 0.00 -0.01 0.00 0.00 175.52 177.55 1jgn h ALA 9 N 1.12 1.36 -0.14 0.00 0.00 -1.94 0.11 119.26 119.77 1jgn h ALA 9 Ca -0.20 -0.06 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 1jgn h ALA 9 Cb 1.85 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1jgn h ALA 9 CO 0.08 0.57 -0.40 1.03 0.00 0.00 0.00 179.25 180.53 1jgn h SER 10 N 1.23 0.32 -0.26 0.00 0.87 -1.98 -2.43 113.55 111.30 1jgn h SER 10 Ca 0.36 -0.13 -0.05 0.00 -1.23 0.00 0.00 61.79 60.73 1jgn h SER 10 Cb -0.08 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 1jgn h SER 10 CO -0.09 0.69 0.00 0.24 -0.53 0.00 0.00 176.83 177.14 1jgn h MET 11 N 0.26 0.57 -0.24 2.24 2.86 -0.86 -1.64 114.93 118.12 1jgn h MET 11 Ca 0.02 -0.13 0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1jgn h MET 11 Cb 0.82 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 32.36 1jgn h MET 11 CO 0.07 0.59 -0.06 -0.07 1.06 0.00 0.00 176.91 178.50 1jgn h LEU 12 N 0.54 -0.22 -1.21 1.22 4.07 -0.37 -0.67 115.31 118.68 1jgn h LEU 12 Ca 0.12 0.07 -0.07 0.00 0.08 0.00 0.00 57.88 58.08 1jgn h LEU 12 Cb 0.35 0.15 -0.01 0.00 1.08 0.00 0.00 40.66 42.22 1jgn h LEU 12 CO 0.01 -0.08 -0.23 0.00 -1.08 0.00 0.00 178.44 177.07 1jgn h ALA 13 N 1.24 1.34 -1.02 1.53 0.00 -1.44 -2.95 119.26 117.97 1jgn h ALA 13 Ca 0.12 -0.28 -0.73 0.00 0.00 0.00 0.00 54.91 54.01 1jgn h ALA 13 Cb 0.17 -0.09 -0.29 0.00 0.00 0.00 0.00 17.79 17.59 1jgn h ALA 13 CO -0.24 0.45 0.88 0.43 0.00 0.00 0.00 179.25 180.77 1jgn n SER 14 N -4.18 7.41 0.00 0.00 7.64 -0.39 -4.44 113.62 119.66 1jgn n SER 14 Ca -0.01 -3.82 0.00 0.00 1.01 0.00 0.00 58.87 56.05 1jgn n SER 14 Cb 0.35 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.55 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 -0.66 1.99 -1.52 -0.43 0.00 -0.44 -4.88 120.51 114.58 1jgn n ALA 15 Ca 0.56 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.55 1jgn n ALA 15 Cb 0.40 0.20 -0.01 0.00 0.00 0.00 0.00 19.45 20.04 1jgn n ALA 15 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1jgn n PRO 16 N -1.89 0.86 0.00 0.00 -0.02 -1.26 -3.94 135.00 128.75 1jgn n PRO 16 Ca 0.00 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1jgn n PRO 16 Cb 0.20 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 1jgn n PRO 16 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1jgn n PRO 17 N 0.75 3.51 -1.21 0.52 -0.02 -1.26 -4.92 135.00 132.36 1jgn n PRO 17 Ca 0.12 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.46 1jgn n PRO 17 Cb 0.32 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.72 1jgn n PRO 17 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1jgn n GLN 18 N 0.00 0.04 -0.40 -0.52 6.02 -1.26 -4.51 117.38 116.75 1jgn n GLN 18 Ca 0.00 -0.99 0.08 0.00 -0.01 0.00 0.00 57.00 56.08 1jgn n GLN 18 Cb 0.00 -2.68 0.26 0.00 1.02 0.00 0.00 30.24 28.84 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 6.73 3.17 -0.16 -1.09 4.07 -1.25 -4.72 120.64 127.39 1jgn n GLU 19 Ca 0.27 -2.56 -0.09 0.00 -0.06 0.00 0.00 57.16 54.72 1jgn n GLU 19 Cb 0.45 -1.63 -0.04 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 2.84 -0.26 -0.17 5.31 3.07 -1.83 0.29 115.11 124.35 1jgn h GLN 20 Ca 0.00 0.02 0.05 0.00 0.09 0.00 0.00 58.65 58.81 1jgn h GLN 20 Cb 1.16 0.06 -0.01 0.00 0.08 0.00 0.00 27.48 28.77 1jgn h GLN 20 CO 0.13 -0.17 0.24 1.57 0.09 0.00 0.00 178.83 180.68 1jgn h LYS 21 N -0.27 0.00 0.00 0.06 5.09 -1.83 -0.83 116.57 118.80 1jgn h LYS 21 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.90 1jgn h LYS 21 Cb 0.57 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.90 1jgn h LYS 21 CO -0.62 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 177.68 1jgn n GLN 22 N -3.59 0.00 0.00 0.07 -0.06 0.98 -4.28 117.38 110.50 1jgn n GLN 22 Ca 0.01 0.08 0.00 0.00 -2.00 0.00 0.00 57.00 55.09 1jgn n GLN 22 Cb 0.35 -0.74 0.00 0.00 -4.06 0.00 0.00 30.24 25.79 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 -0.73 0.00 0.00 3.69 0.00 -1.03 -4.12 117.12 114.92 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 -0.07 0.00 0.00 0.00 0.00 0.00 33.22 33.15 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 -4.79 117.00 114.15 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 -0.91 3.19 0.03 1.47 0.00 -0.32 -1.20 105.19 107.45 1jgn n GLY 25 Ca 0.00 0.08 -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 -0.05 0.00 1.61 3.07 -1.89 -3.12 114.58 114.19 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 -0.03 0.00 -2.13 -1.40 0.00 0.00 179.01 175.45 1jgn n ARG 27 N -2.52 0.00 0.00 2.33 3.00 -0.63 -4.90 116.66 113.95 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 0.02 0.00 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 -0.30 6.15 4.32 -0.34 -3.45 117.00 123.38 1jgn n LEU 28 Ca 0.00 0.80 0.05 0.00 -0.02 0.00 0.00 56.01 56.85 1jgn n LEU 28 Cb 0.45 -0.30 0.13 0.00 -1.62 0.00 0.00 43.42 42.07 1jgn n LEU 28 CO 0.00 -0.30 0.56 0.33 -1.22 0.00 0.00 177.39 176.76 1jgn n PHE 29 N -1.44 0.32 -0.31 -1.77 -0.00 -1.22 -0.55 117.46 112.48 1jgn n PHE 29 Ca 0.00 1.02 -0.02 0.00 -0.00 0.00 0.00 57.45 58.45 1jgn n PHE 29 Cb 0.00 -1.00 0.10 0.00 -0.00 0.00 0.00 39.48 38.59 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 1.05 -0.14 -7.13 0.13 -1.83 1.15 132.00 125.23 1jgn h PRO 30 Ca 0.41 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 65.39 1jgn h PRO 30 Cb 0.64 -0.24 -0.00 0.00 0.13 0.00 0.00 31.00 31.53 1jgn h PRO 30 CO -0.86 0.69 -0.24 -0.07 -0.23 0.00 0.00 178.00 177.29 1jgn h LEU 31 N 1.08 0.45 -0.92 1.56 3.38 -0.85 -2.58 115.31 117.43 1jgn h LEU 31 Ca 0.33 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1jgn h LEU 31 Cb -0.02 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1jgn h LEU 31 CO -0.11 0.91 0.00 0.40 0.09 0.00 0.00 178.44 179.73 1jgn h ILE 32 N 0.02 0.00 -0.20 1.22 2.04 -1.09 -1.92 117.51 117.57 1jgn h ILE 32 Ca 0.01 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 1jgn h ILE 32 Cb 0.82 1.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 1jgn h ILE 32 CO 0.05 0.00 -0.04 -0.61 0.00 0.00 0.00 178.15 177.55 1jgn h GLN 33 N 0.00 0.30 0.00 2.37 4.15 0.18 1.43 115.11 123.54 1jgn h GLN 33 Ca 0.00 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.25 1jgn h GLN 33 Cb 0.50 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 1jgn h GLN 33 CO 0.00 0.37 -0.55 0.00 -1.93 0.00 0.00 178.83 176.71 1jgn h ALA 34 N 1.67 1.05 -0.58 3.38 0.00 -1.24 -2.26 119.26 121.28 1jgn h ALA 34 Ca 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1jgn h ALA 34 Cb 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1jgn h ALA 34 CO 0.01 0.69 0.00 -1.33 0.00 0.00 0.00 179.25 178.62 1jgn n MET 35 N -3.83 4.86 -0.02 0.00 2.81 0.45 -4.52 117.12 116.88 1jgn n MET 35 Ca -0.01 -3.16 -0.00 0.00 -1.81 0.00 0.00 57.70 52.71 1jgn n MET 35 Cb 0.57 -2.25 0.29 0.00 -0.71 0.00 0.00 33.22 31.11 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 4.02 0.59 -1.11 2.03 -0.00 0.24 -2.56 115.15 118.37 1jgn h HIS 36 Ca 0.00 -0.06 0.32 0.00 -0.00 0.00 0.00 60.37 60.64 1jgn h HIS 36 Cb 1.96 -0.17 -0.04 0.00 -0.00 0.00 0.00 27.41 29.16 1jgn h HIS 36 CO 1.09 0.55 1.14 -1.35 -0.00 0.00 0.00 177.93 179.35 1jgn h PRO 37 N 0.55 0.00 0.00 5.12 0.11 -1.81 -1.84 132.00 134.13 1jgn h PRO 37 Ca 0.12 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.23 1jgn h PRO 37 Cb 0.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1jgn h PRO 37 CO 0.01 0.00 0.00 2.41 -0.21 0.00 0.00 178.00 180.21 1jgn n THR 38 N -3.45 0.00 -2.67 -1.15 -1.04 -0.96 -4.98 114.28 100.02 1jgn n THR 38 Ca 0.25 0.10 -0.05 0.00 -2.04 0.00 0.00 64.05 62.30 1jgn n THR 38 Cb 1.48 -0.20 0.05 0.00 -1.82 0.00 0.00 70.33 69.84 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 -0.45 -1.43 -4.66 -4.42 -0.00 -0.69 -5.14 117.00 100.21 1jgn n LEU 39 Ca 0.00 -2.35 -0.38 0.00 -0.00 0.00 0.00 56.01 53.29 1jgn n LEU 39 Cb 0.00 0.69 0.06 0.00 -0.00 0.00 0.00 43.42 44.16 1jgn n LEU 39 CO 0.00 1.47 0.68 0.00 -0.00 0.00 0.00 177.39 179.54 1jgn n ALA 40 N -0.30 0.56 0.00 1.96 0.00 -1.22 -4.18 120.51 117.33 1jgn n ALA 40 Ca -0.15 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1jgn n ALA 40 Cb 0.72 -2.19 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 1.14 2.02 0.11 0.00 0.00 -1.26 -4.84 105.19 102.37 1jgn n GLY 41 Ca 0.14 -0.51 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 -0.03 1.61 1.63 -2.02 -3.32 116.57 114.45 1jgn h LYS 42 Ca 0.00 0.00 0.03 0.00 -0.85 0.00 0.00 60.65 59.83 1jgn h LYS 42 Cb 0.00 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 31.58 1jgn h LYS 42 CO 0.00 0.72 -0.24 0.82 -3.45 0.00 0.00 179.45 177.29 1jgn h ILE 43 N 0.00 0.44 -0.88 2.00 2.04 -1.89 -0.70 117.51 118.53 1jgn h ILE 43 Ca -0.01 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.99 1jgn h ILE 43 Cb 1.43 0.44 -0.07 0.00 -0.74 0.00 0.00 36.82 37.88 1jgn h ILE 43 CO 0.09 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.81 1jgn h THR 44 N -0.36 0.84 0.00 -0.27 1.03 -1.94 -2.85 112.91 109.36 1jgn h THR 44 Ca 0.07 -0.24 0.00 0.00 -0.01 0.00 0.00 66.41 66.23 1jgn h THR 44 Cb 0.46 0.10 0.00 0.00 -1.07 0.00 0.00 68.15 67.64 1jgn h THR 44 CO -0.24 0.13 0.00 0.61 -0.01 0.00 0.00 175.52 176.01 1jgn n GLY 45 N -1.44 -2.88 0.22 2.99 0.00 -0.28 0.04 105.19 103.85 1jgn n GLY 45 Ca 0.17 0.36 -0.02 0.00 0.00 0.00 0.00 46.02 46.53 1jgn n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jgn h MET 46 N 0.00 0.44 0.00 1.61 -0.00 -1.43 -0.41 114.93 115.14 1jgn h MET 46 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1jgn h MET 46 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 31.60 31.50 1jgn h MET 46 CO 0.00 0.29 0.00 1.28 -0.00 0.00 0.00 176.91 178.48 1jgn n LEU 47 N -4.94 0.00 0.00 -0.10 7.99 -1.08 -3.69 117.00 115.18 1jgn n LEU 47 Ca 0.07 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.11 1jgn n LEU 47 Cb 0.21 0.00 0.22 0.00 -0.11 0.00 0.00 43.42 43.75 1jgn n LEU 47 CO 0.25 0.00 0.61 -0.11 -1.51 0.00 0.00 177.39 176.64 1jgn n LEU 48 N -0.62 0.00 -0.82 2.23 -0.00 0.11 -1.95 117.00 115.95 1jgn n LEU 48 Ca 0.06 0.37 0.02 0.00 -0.00 0.00 0.00 56.01 56.46 1jgn n LEU 48 Cb 0.03 -0.37 0.11 0.00 -0.00 0.00 0.00 43.42 43.19 1jgn n LEU 48 CO 0.04 -0.25 0.45 -0.62 -0.00 0.00 0.00 177.39 177.01 1jgn n GLU 49 N -1.37 2.03 -2.22 1.96 -0.58 -1.24 -4.86 120.64 114.36 1jgn n GLU 49 Ca 0.04 -0.88 -0.29 0.00 -0.42 0.00 0.00 57.16 55.61 1jgn n GLU 49 Cb 0.09 -1.64 0.02 0.00 -0.57 0.00 0.00 31.44 29.34 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 -1.53 4.12 0.70 -3.67 2.07 -0.82 -5.05 121.20 117.01 1jgn s ILE 50 Ca 0.15 0.34 -0.13 0.00 -1.41 0.00 0.00 60.65 59.61 1jgn s ILE 50 Cb 0.11 -3.64 0.02 0.00 0.13 0.00 0.00 42.46 39.08 1jgn s ILE 50 CO 0.05 -0.74 1.09 -1.81 -1.91 0.00 0.00 174.94 171.63 1jgn s ASP 51 N -4.25 4.98 0.01 4.50 1.01 -1.26 -4.97 116.67 116.69 1jgn s ASP 51 Ca 0.54 1.86 0.11 0.00 0.71 0.00 0.00 52.55 55.77 1jgn s ASP 51 Cb -0.11 -2.53 -0.22 0.00 1.01 0.00 0.00 42.92 41.07 1jgn s ASP 51 CO 0.48 -1.71 0.86 0.78 0.21 0.00 0.00 175.17 175.79 1jgn h ASN 52 N -0.48 0.00 0.66 0.27 4.21 -1.98 -2.56 115.58 115.72 1jgn h ASN 52 Ca -0.45 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 56.91 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 0.54 0.99 -0.71 0.28 -1.29 0.00 0.00 177.43 177.23 1jgn h SER 53 N 0.00 0.05 1.16 5.81 0.02 -2.01 -3.03 113.55 115.55 1jgn h SER 53 Ca -0.20 -0.03 -0.14 0.00 -0.84 0.00 0.00 61.79 60.57 1jgn h SER 53 Cb 1.93 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 64.43 1jgn h SER 53 CO 0.09 0.74 -0.68 1.05 -1.14 0.00 0.00 176.83 176.90 1jgn h GLU 54 N 0.03 0.00 -0.27 3.45 -0.00 -1.96 -3.20 114.58 112.63 1jgn h GLU 54 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.34 1jgn h GLU 54 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 30.00 1jgn h GLU 54 CO 0.10 0.68 0.15 1.37 -0.00 0.00 0.00 179.01 181.30 1jgn h LEU 55 N 0.00 0.33 -0.55 3.06 8.10 -1.33 -2.16 115.31 122.77 1jgn h LEU 55 Ca -0.01 -0.09 -0.01 0.00 0.11 0.00 0.00 57.88 57.88 1jgn h LEU 55 Cb 1.44 -0.08 -0.03 0.00 -0.44 0.00 0.00 40.66 41.55 1jgn h LEU 55 CO 0.09 0.32 0.29 0.25 -4.11 0.00 0.00 178.44 175.28 1jgn h LEU 56 N 0.32 0.70 -2.13 0.17 5.85 -1.61 -2.16 115.31 116.44 1jgn h LEU 56 Ca 0.09 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 1jgn h LEU 56 Cb 0.06 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1jgn h LEU 56 CO -0.02 0.60 -0.01 -0.74 -0.34 0.00 0.00 178.44 177.94 1jgn h HIS 57 N 0.74 0.00 0.06 1.25 2.76 -1.50 -2.76 115.15 115.70 1jgn h HIS 57 Ca 0.19 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.36 1jgn h HIS 57 Cb 0.07 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.04 1jgn h HIS 57 CO -0.01 0.01 -0.03 0.52 -1.30 0.00 0.00 177.93 177.12 1jgn h MET 58 N 0.00 -0.08 0.00 5.26 2.86 -0.73 -1.40 114.93 120.83 1jgn h MET 58 Ca -0.00 0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jgn h MET 58 Cb 0.02 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.70 1jgn h MET 58 CO 0.00 0.32 -0.00 1.25 1.06 0.00 0.00 176.91 179.54 1jgn h LEU 59 N -0.50 0.00 -0.62 1.22 5.85 -1.38 0.64 115.31 120.51 1jgn h LEU 59 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1jgn h LEU 59 Cb 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 1jgn h LEU 59 CO 0.01 0.00 -0.45 -0.62 -0.34 0.00 0.00 178.44 177.05 1jgn n GLU 60 N -3.11 0.85 -3.81 1.25 -0.58 -1.07 -4.57 120.64 109.59 1jgn n GLU 60 Ca -0.02 -0.62 -0.28 0.00 -0.42 0.00 0.00 57.16 55.82 1jgn n GLU 60 Cb 0.15 -1.49 -0.12 0.00 -0.57 0.00 0.00 31.44 29.42 1jgn n GLU 60 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1jgn n SER 61 N -0.53 2.61 -0.15 1.62 7.64 0.22 -4.94 113.62 120.08 1jgn n SER 61 Ca 0.09 -3.12 0.13 0.00 1.01 0.00 0.00 58.87 56.99 1jgn n SER 61 Cb 0.40 -0.73 0.47 0.00 -1.01 0.00 0.00 64.21 63.34 1jgn n SER 61 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1jgn h PRO 62 N 5.34 0.47 0.01 1.43 0.13 -1.81 0.30 132.00 137.86 1jgn h PRO 62 Ca 0.17 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.25 1jgn h PRO 62 Cb 0.77 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.79 1jgn h PRO 62 CO 0.68 0.31 -0.09 0.93 -0.23 0.00 0.00 178.00 179.60 1jgn h GLU 63 N 0.48 0.04 -0.17 0.86 5.08 -1.92 -3.06 114.58 115.89 1jgn h GLU 63 Ca 0.34 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.58 1jgn h GLU 63 Cb 0.67 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 1jgn h GLU 63 CO -0.11 0.95 -0.13 0.77 -1.00 0.00 0.00 179.01 179.49 1jgn h SER 64 N -0.84 0.41 0.82 1.42 0.02 -1.85 -3.08 113.55 110.45 1jgn h SER 64 Ca -0.01 -0.45 -0.04 0.00 -0.84 0.00 0.00 61.79 60.45 1jgn h SER 64 Cb 0.99 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.42 1jgn h SER 64 CO 0.02 0.78 -0.42 0.25 -1.14 0.00 0.00 176.83 176.31 1jgn h LEU 65 N 0.05 -1.01 -1.82 5.07 5.85 -0.58 -2.74 115.31 120.12 1jgn h LEU 65 Ca 0.03 0.04 0.26 0.00 0.84 0.00 0.00 57.88 59.05 1jgn h LEU 65 Cb 0.64 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.90 1jgn h LEU 65 CO 0.03 -0.69 0.65 -0.09 -0.34 0.00 0.00 178.44 178.01 1jgn h ARG 66 N -1.13 0.13 -0.55 1.25 9.65 -1.65 0.37 114.38 122.44 1jgn h ARG 66 Ca -0.11 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.72 1jgn h ARG 66 Cb 0.88 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.41 1jgn h ARG 66 CO 0.17 0.08 0.18 1.03 2.80 0.00 0.00 179.97 184.24 1jgn h SER 67 N 0.13 0.80 0.57 -3.80 0.87 -1.41 0.35 113.55 111.06 1jgn h SER 67 Ca 0.46 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.80 1jgn h SER 67 Cb 1.62 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 63.37 1jgn h SER 67 CO -0.07 0.78 -0.27 0.50 -0.53 0.00 0.00 176.83 177.24 1jgn h LYS 68 N 0.77 -0.73 0.00 2.24 3.64 -0.02 -2.91 116.57 119.55 1jgn h LYS 68 Ca 0.18 0.05 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1jgn h LYS 68 Cb 0.26 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1jgn h LYS 68 CO -0.01 -0.43 -0.01 0.28 -2.27 0.00 0.00 179.45 177.01 1jgn h VAL 69 N -1.08 0.08 -0.33 2.00 2.07 -1.28 -1.50 116.25 116.21 1jgn h VAL 69 Ca -0.08 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.36 1jgn h VAL 69 Cb 0.64 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1jgn h VAL 69 CO 0.13 0.01 -0.00 -0.78 0.02 0.00 0.00 177.57 176.95 1jgn h ASP 70 N 0.00 -0.14 0.47 0.57 3.58 -0.08 0.37 116.42 121.18 1jgn h ASP 70 Ca -0.00 0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.44 1jgn h ASP 70 Cb 0.13 0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 1jgn h ASP 70 CO 0.00 -0.03 -0.42 -0.08 -2.88 0.00 0.00 179.24 175.83 1jgn h GLU 71 N 0.09 0.00 -0.79 0.28 4.57 -1.27 -2.49 114.58 114.98 1jgn h GLU 71 Ca 0.16 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.34 1jgn h GLU 71 Cb 0.22 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 1jgn h GLU 71 CO -0.27 0.42 0.49 0.00 -1.18 0.00 0.00 179.01 178.47 1jgn h ALA 72 N 1.58 1.39 0.00 2.92 0.00 -0.20 0.16 119.26 125.11 1jgn h ALA 72 Ca -0.00 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1jgn h ALA 72 Cb 0.77 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1jgn h ALA 72 CO 0.05 0.54 -0.22 0.28 0.00 0.00 0.00 179.25 179.91 1jgn h VAL 73 N 1.08 1.09 -0.16 0.00 2.07 0.02 -2.51 116.25 117.85 1jgn h VAL 73 Ca 0.29 -0.78 -0.21 0.00 0.82 0.00 0.00 66.70 66.82 1jgn h VAL 73 Cb -0.08 1.43 0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1jgn h VAL 73 CO -0.06 0.22 -0.74 0.00 0.02 0.00 0.00 177.57 177.01 1jgn h ALA 74 N 1.78 0.39 -0.22 1.67 0.00 -0.63 -2.88 119.26 119.37 1jgn h ALA 74 Ca -0.00 -0.59 0.06 0.00 0.00 0.00 0.00 54.91 54.37 1jgn h ALA 74 Cb 0.41 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1jgn h ALA 74 CO 0.03 0.70 0.16 -0.39 0.00 0.00 0.00 179.25 179.74 1jgn h VAL 75 N 0.51 0.91 0.13 0.00 -1.51 -0.63 -0.14 116.25 115.52 1jgn h VAL 75 Ca -0.04 -0.01 -0.01 0.00 -1.23 0.00 0.00 66.70 65.41 1jgn h VAL 75 Cb 1.36 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 1jgn h VAL 75 CO 0.15 0.01 -0.06 0.25 -1.23 0.00 0.00 177.57 176.69 1jgn h LEU 76 N 0.04 -0.14 -1.55 4.19 7.12 -1.42 0.37 115.31 123.92 1jgn h LEU 76 Ca 0.10 -0.40 0.11 0.00 0.13 0.00 0.00 57.88 57.82 1jgn h LEU 76 Cb 0.36 0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 40.48 1jgn h LEU 76 CO -0.01 0.38 0.45 1.56 -0.13 0.00 0.00 178.44 180.69 1jgn h GLN 77 N -0.73 0.48 0.00 1.25 1.08 -1.18 0.17 115.11 116.18 1jgn h GLN 77 Ca -0.02 -0.03 -0.07 0.00 -1.45 0.00 0.00 58.65 57.09 1jgn h GLN 77 Cb 0.53 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.84 1jgn h GLN 77 CO 0.03 0.32 -0.40 0.00 -0.95 0.00 0.00 178.83 177.83 1jgn h ALA 78 N 1.66 0.78 -0.03 3.87 0.00 -1.02 -3.23 119.26 121.30 1jgn h ALA 78 Ca 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1jgn h ALA 78 Cb 0.57 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jgn h ALA 78 CO -0.10 0.39 -0.03 1.25 0.00 0.00 0.00 179.25 180.76 1jgn h HIS 79 N 0.00 0.09 0.00 0.00 6.17 0.16 -2.97 115.15 118.59 1jgn h HIS 79 Ca -0.01 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.04 1jgn h HIS 79 Cb 1.24 -0.02 0.00 0.00 2.52 0.00 0.00 27.41 31.15 1jgn h HIS 79 CO 0.00 0.57 0.00 1.04 0.71 0.00 0.00 177.93 180.25 1jgn n GLN 80 N -4.78 0.27 0.13 5.26 6.02 -0.63 -2.65 117.38 121.01 1jgn n GLN 80 Ca -0.08 0.11 -0.05 0.00 -0.01 0.00 0.00 57.00 56.97 1jgn n GLN 80 Cb 0.28 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.02 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 2.85 -0.89 0.00 -1.58 0.00 -1.53 -1.59 119.26 116.51 1jgn h ALA 81 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jgn h ALA 81 Cb 0.15 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1jgn h ALA 81 CO 0.00 -0.86 0.00 0.87 0.00 0.00 0.00 179.25 179.26 1jgn h LYS 82 N -0.40 0.00 0.00 0.00 1.79 -1.70 -3.15 116.57 113.11 1jgn h LYS 82 Ca -0.03 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.33 1jgn h LYS 82 Cb 0.26 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 1jgn h LYS 82 CO 0.06 0.00 -0.51 1.49 -1.08 0.00 0.00 179.45 179.41 1jgn h GLU 83 N 0.00 0.00 0.00 3.15 4.22 -1.55 -3.06 114.58 117.34 1jgn h GLU 83 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1jgn h GLU 83 Cb 0.76 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.01 1jgn h GLU 83 CO 0.00 0.51 0.00 0.00 -2.18 0.00 0.00 179.01 177.34 1jgn h ALA 84 N 1.49 1.00 -0.11 2.92 0.00 -1.24 -2.63 119.26 120.69 1jgn h ALA 84 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1jgn h ALA 84 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 1jgn h ALA 84 CO 0.07 0.00 -0.15 0.00 0.00 0.00 0.00 179.25 179.16 1jgn h ALA 85 N 2.13 1.54 0.01 0.00 0.00 -1.71 -2.94 119.26 118.29 1jgn h ALA 85 Ca 0.00 -0.20 -0.32 0.00 0.00 0.00 0.00 54.91 54.39 1jgn h ALA 85 Cb 0.34 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1jgn h ALA 85 CO 0.00 0.33 -1.94 1.04 0.00 0.00 0.00 179.25 178.69 1jgn n GLN 86 N -4.27 0.65 -2.79 0.00 6.02 -1.01 -4.84 117.38 111.14 1jgn n GLN 86 Ca -0.01 0.20 -0.43 0.00 -0.01 0.00 0.00 57.00 56.76 1jgn n GLN 86 Cb 0.27 -1.71 -0.04 0.00 1.02 0.00 0.00 30.24 29.79 1jgn n GLN 86 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1jgn s LYS 87 N -2.56 3.88 -1.19 -1.09 2.20 -1.11 -4.97 119.74 114.90 1jgn s LYS 87 Ca -0.08 0.65 -0.20 0.00 -0.36 0.00 0.00 55.97 55.98 1jgn s LYS 87 Cb 0.07 -3.79 0.07 0.00 -1.51 0.00 0.00 37.83 32.67 1jgn s LYS 87 CO 0.82 -0.92 1.62 0.00 -0.36 0.00 0.00 175.35 176.50 1jgn s ALA 88 N 3.46 3.12 0.44 3.13 0.00 -1.26 -4.80 121.76 125.85 1jgn s ALA 88 Ca 0.39 -2.69 -0.10 0.00 0.00 0.00 0.00 51.96 49.55 1jgn s ALA 88 Cb -0.12 -4.58 -0.06 0.00 0.00 0.00 0.00 23.12 18.36 1jgn s ALA 88 CO 0.18 -3.40 0.82 0.14 0.00 0.00 0.00 175.76 173.50 1jgn s VAL 89 N 4.40 4.77 1.07 0.00 -7.23 -1.26 -5.08 120.40 117.07 1jgn s VAL 89 Ca 0.50 0.64 -0.17 0.00 -1.81 0.00 0.00 61.98 61.15 1jgn s VAL 89 Cb 0.02 -3.76 0.23 0.00 0.56 0.00 0.00 36.38 33.43 1jgn s VAL 89 CO 0.01 -0.63 1.20 0.20 -0.31 0.00 0.00 175.10 175.56 1jgn s ASN 90 N -3.36 2.16 0.00 4.85 0.01 -1.26 -4.93 114.94 112.41 1jgn s ASN 90 Ca 0.52 0.54 0.17 0.00 -0.71 0.00 0.00 52.86 53.38 1jgn s ASN 90 Cb -0.10 -0.76 0.85 0.00 0.41 0.00 0.00 41.25 41.64 1jgn s ASN 90 CO 0.35 -3.35 1.57 -1.20 -1.51 0.00 0.00 177.10 172.96 1jgn n SER 91 N -4.23 0.56 -4.45 -1.22 7.64 -1.26 -4.60 113.62 106.06 1jgn n SER 91 Ca 0.13 -1.59 -0.44 0.00 1.01 0.00 0.00 58.87 57.98 1jgn n SER 91 Cb 0.59 -0.04 -0.01 0.00 -1.01 0.00 0.00 64.21 63.74 1jgn n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jgn s ALA 92 N -1.92 3.75 -0.26 -0.43 0.00 -1.26 -4.99 121.76 116.65 1jgn s ALA 92 Ca 0.26 -3.12 -0.08 0.00 0.00 0.00 0.00 51.96 49.01 1jgn s ALA 92 Cb 0.13 -4.07 -0.03 0.00 0.00 0.00 0.00 23.12 19.15 1jgn s ALA 92 CO 0.20 -2.84 0.11 0.95 0.00 0.00 0.00 175.76 174.18 1jgn s THR 93 N 1.96 4.55 -0.78 0.00 -4.23 -1.26 -5.00 115.64 110.88 1jgn s THR 93 Ca 0.38 -0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 60.73 1jgn s THR 93 Cb -0.04 -3.17 0.37 0.00 1.34 0.00 0.00 72.50 71.00 1jgn s THR 93 CO -0.04 0.28 1.89 0.61 -0.54 0.00 0.00 174.62 176.82 1jgn n GLY 94 N 4.96 5.62 0.07 3.99 0.00 -1.26 -4.67 105.19 113.90 1jgn n GLY 94 Ca -0.15 -2.51 -0.13 0.00 0.00 0.00 0.00 46.02 43.22 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 2.02 1.47 -3.34 1.61 2.07 -2.03 -3.46 116.25 114.61 1jgn h VAL 95 Ca 0.53 -2.17 -0.53 0.00 0.82 0.00 0.00 66.70 65.36 1jgn h VAL 95 Cb 0.21 2.84 0.05 0.00 -1.52 0.00 0.00 31.29 32.87 1jgn h VAL 95 CO 1.36 0.50 0.73 -2.16 0.02 0.00 0.00 177.57 178.02 1jgn s PRO 96 N -2.17 4.31 -0.31 1.57 0.04 -1.26 -4.91 135.00 132.27 1jgn s PRO 96 Ca -0.18 2.22 -0.01 0.00 0.04 0.00 0.00 61.00 63.07 1jgn s PRO 96 Cb -0.02 -3.14 0.20 0.00 0.04 0.00 0.00 34.50 31.58 1jgn s PRO 96 CO 0.60 -0.38 2.03 0.25 0.04 0.00 0.00 177.00 179.55 1jgn n THR 97 N 2.57 2.76 -0.34 1.26 -2.24 -1.26 -5.20 114.28 111.83 1jgn n THR 97 Ca 0.07 -1.63 0.00 0.00 -2.27 0.00 0.00 64.05 60.22 1jgn n THR 97 Cb 0.41 -1.35 0.00 0.00 -2.10 0.00 0.00 70.33 67.29 1jgn n THR 97 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83