#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 0.20 -6.81 1.61 0.11 -2.00 -3.49 132.00 121.62 1jgn h PRO 2 Ca 0.00 -0.16 -0.47 0.00 0.11 0.00 0.00 66.00 65.48 1jgn h PRO 2 Cb 0.00 0.03 0.03 0.00 0.11 0.00 0.00 31.00 31.17 1jgn h PRO 2 CO 0.00 0.81 -0.02 -0.51 -0.21 0.00 0.00 178.00 178.07 1jgn s LEU 3 N -8.78 3.59 -0.91 2.35 1.02 -1.26 -5.03 118.68 109.66 1jgn s LEU 3 Ca -0.15 0.49 0.00 0.00 0.02 0.00 0.00 54.13 54.49 1jgn s LEU 3 Cb 0.02 -3.37 0.32 0.00 0.02 0.00 0.00 46.19 43.18 1jgn s LEU 3 CO 0.73 -0.72 1.56 0.61 0.02 0.00 0.00 176.35 178.56 1jgn n GLY 4 N -2.18 5.90 3.87 -3.19 0.00 -1.26 -5.03 105.19 103.30 1jgn n GLY 4 Ca 0.01 -2.64 -0.32 0.00 0.00 0.00 0.00 46.02 43.07 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 -1.93 6.65 0.00 1.61 0.01 -1.26 -4.96 113.70 113.82 1jgn s SER 5 Ca 0.41 1.02 0.09 0.00 1.31 0.00 0.00 55.95 58.78 1jgn s SER 5 Cb 0.20 -2.27 0.43 0.00 0.21 0.00 0.00 66.02 64.60 1jgn s SER 5 CO -0.11 -0.13 1.23 -0.81 0.41 0.00 0.00 173.24 173.83 1jgn n PRO 6 N -0.28 0.07 -2.58 12.44 -0.04 -1.26 -4.52 135.00 138.83 1jgn n PRO 6 Ca 0.01 0.26 -0.41 0.00 -0.04 0.00 0.00 63.50 63.32 1jgn n PRO 6 Cb 0.53 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.46 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 -2.76 3.31 -0.05 1.53 1.02 -1.26 -4.82 118.68 115.65 1jgn s LEU 7 Ca 0.07 -0.55 0.00 0.00 0.02 0.00 0.00 54.13 53.67 1jgn s LEU 7 Cb 0.06 -2.55 -0.26 0.00 0.02 0.00 0.00 46.19 43.47 1jgn s LEU 7 CO 0.15 -1.78 0.65 0.00 0.02 0.00 0.00 176.35 175.39 1jgn h THR 8 N 6.06 0.91 -0.65 5.49 1.03 -1.96 -3.06 112.91 120.72 1jgn h THR 8 Ca -0.26 -2.63 0.02 0.00 -0.01 0.00 0.00 66.41 63.53 1jgn h THR 8 Cb 1.05 2.59 -0.03 0.00 -1.07 0.00 0.00 68.15 70.69 1jgn h THR 8 CO 1.28 0.76 0.43 0.00 -0.01 0.00 0.00 175.52 177.97 1jgn h ALA 9 N 0.50 1.58 -0.25 0.00 0.00 -1.93 0.64 119.26 119.80 1jgn h ALA 9 Ca -0.31 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 1jgn h ALA 9 Cb 2.02 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1jgn h ALA 9 CO 0.12 0.37 -0.28 1.03 0.00 0.00 0.00 179.25 180.48 1jgn h SER 10 N 0.83 0.50 -0.49 0.00 0.87 -1.96 -2.50 113.55 110.81 1jgn h SER 10 Ca 0.25 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.57 1jgn h SER 10 Cb -0.03 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 1jgn h SER 10 CO -0.06 0.77 0.10 0.24 -0.53 0.00 0.00 176.83 177.35 1jgn h MET 11 N 0.43 0.85 -0.54 2.24 2.86 -0.84 -2.31 114.93 117.62 1jgn h MET 11 Ca 0.06 -0.19 0.10 0.00 -2.06 0.00 0.00 59.70 57.61 1jgn h MET 11 Cb 0.72 -0.12 -0.08 0.00 0.06 0.00 0.00 31.60 32.18 1jgn h MET 11 CO 0.06 0.79 0.07 -0.07 1.06 0.00 0.00 176.91 178.81 1jgn h LEU 12 N 0.81 -0.10 -1.04 1.22 4.07 -0.64 0.88 115.31 120.51 1jgn h LEU 12 Ca 0.17 0.11 -0.08 0.00 0.08 0.00 0.00 57.88 58.17 1jgn h LEU 12 Cb 0.35 0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.25 1jgn h LEU 12 CO 0.00 -0.03 -0.18 0.00 -1.08 0.00 0.00 178.44 177.16 1jgn h ALA 13 N 1.46 1.20 -0.65 1.53 0.00 -1.43 -2.79 119.26 118.57 1jgn h ALA 13 Ca 0.28 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1jgn h ALA 13 Cb 0.42 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1jgn h ALA 13 CO -0.40 0.51 0.12 0.43 0.00 0.00 0.00 179.25 179.92 1jgn n SER 14 N -4.17 5.33 -3.76 0.00 7.64 0.32 -4.87 113.62 114.12 1jgn n SER 14 Ca 0.00 -3.07 -0.21 0.00 1.01 0.00 0.00 58.87 56.60 1jgn n SER 14 Cb 0.36 -0.71 -0.17 0.00 -1.01 0.00 0.00 64.21 62.67 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 -2.88 0.53 1.15 -0.43 0.00 0.28 -4.91 121.76 115.50 1jgn s ALA 15 Ca 0.55 -0.00 -0.14 0.00 0.00 0.00 0.00 51.96 52.37 1jgn s ALA 15 Cb 0.43 -0.64 0.24 0.00 0.00 0.00 0.00 23.12 23.15 1jgn s ALA 15 CO 0.15 -0.39 0.77 -0.35 0.00 0.00 0.00 175.76 175.93 1jgn n PRO 16 N 4.99 -2.18 -0.20 0.00 -0.04 -1.26 -4.77 135.00 131.54 1jgn n PRO 16 Ca -0.10 -0.61 0.08 0.00 -0.04 0.00 0.00 63.50 62.84 1jgn n PRO 16 Cb 0.50 -2.06 0.37 0.00 -0.04 0.00 0.00 33.50 32.27 1jgn n PRO 16 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1jgn h PRO 17 N -2.51 0.70 0.00 0.54 0.13 -2.01 0.70 132.00 129.55 1jgn h PRO 17 Ca -0.59 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1jgn h PRO 17 Cb 1.34 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1jgn h PRO 17 CO 0.46 0.47 0.00 1.04 -0.23 0.00 0.00 178.00 179.74 1jgn n GLN 18 N -4.49 0.05 -0.12 0.86 6.02 -1.26 -2.66 117.38 115.78 1jgn n GLN 18 Ca 0.12 0.15 0.04 0.00 -0.01 0.00 0.00 57.00 57.30 1jgn n GLN 18 Cb 0.29 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 30.15 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 -1.46 1.56 0.10 -1.09 4.07 0.24 -4.36 120.64 119.71 1jgn n GLU 19 Ca 0.06 -0.85 -0.16 0.00 -0.06 0.00 0.00 57.16 56.15 1jgn n GLU 19 Cb 0.22 -1.20 -0.10 0.00 -0.06 0.00 0.00 31.44 30.30 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 1.37 -0.72 -0.06 5.31 3.07 -1.64 -0.36 115.11 122.08 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 0.33 0.16 -0.00 0.00 0.08 0.00 0.00 27.48 28.05 1jgn h GLN 20 CO 0.00 -0.48 0.23 1.57 0.09 0.00 0.00 178.83 180.25 1jgn h LYS 21 N -0.74 0.00 0.00 0.06 5.09 -1.72 0.17 116.57 119.43 1jgn h LYS 21 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1jgn h LYS 21 Cb 0.76 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.09 1jgn h LYS 21 CO -0.30 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 178.00 1jgn n GLN 22 N -3.17 0.00 0.00 0.07 7.27 -0.18 -4.24 117.38 117.13 1jgn n GLN 22 Ca -0.01 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.10 1jgn n GLN 22 Cb 0.31 -0.71 0.00 0.00 2.41 0.00 0.00 30.24 32.25 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 -0.61 0.00 0.00 3.69 0.00 -1.01 -4.20 117.12 114.98 1jgn n MET 23 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.72 1jgn n MET 23 Cb 0.00 -0.14 0.09 0.00 0.00 0.00 0.00 33.22 33.18 1jgn n MET 23 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1jgn n LEU 24 N 0.00 0.00 0.00 3.17 -0.00 -1.23 -4.81 117.00 114.14 1jgn n LEU 24 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 56.01 56.05 1jgn n LEU 24 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 43.42 43.38 1jgn n LEU 24 CO 0.00 -0.04 0.00 0.61 -0.00 0.00 0.00 177.39 177.96 1jgn n GLY 25 N -0.83 3.18 0.02 1.47 0.00 0.60 -1.16 105.19 108.47 1jgn n GLY 25 Ca 0.02 0.07 -0.01 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.03 0.00 1.61 3.07 -1.86 -2.97 114.58 114.40 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 -2.37 0.00 0.00 2.33 3.00 -0.82 -4.89 116.66 113.90 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 -0.30 6.15 7.99 -0.31 -3.35 117.00 127.18 1jgn n LEU 28 Ca 0.00 0.56 0.07 0.00 -0.01 0.00 0.00 56.01 56.63 1jgn n LEU 28 Cb 0.50 -0.06 0.16 0.00 -0.11 0.00 0.00 43.42 43.91 1jgn n LEU 28 CO 0.00 -0.06 0.58 0.33 -1.51 0.00 0.00 177.39 176.74 1jgn n PHE 29 N -0.75 0.37 -0.25 -1.77 -0.00 -1.24 -0.75 117.46 113.07 1jgn n PHE 29 Ca 0.00 1.01 -0.01 0.00 -0.00 0.00 0.00 57.45 58.45 1jgn n PHE 29 Cb 0.00 -1.03 0.11 0.00 -0.00 0.00 0.00 39.48 38.57 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 0.73 -0.13 -7.13 0.11 -1.85 1.64 132.00 125.36 1jgn h PRO 30 Ca 0.43 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.43 1jgn h PRO 30 Cb 0.74 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.69 1jgn h PRO 30 CO -0.83 0.48 -0.19 -0.07 -0.21 0.00 0.00 178.00 177.18 1jgn h LEU 31 N 0.75 0.39 -0.08 2.35 3.38 -0.94 -2.78 115.31 118.38 1jgn h LEU 31 Ca 0.32 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1jgn h LEU 31 Cb 0.21 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1jgn h LEU 31 CO -0.19 0.83 0.00 -0.38 0.09 0.00 0.00 178.44 178.80 1jgn n ILE 32 N -4.52 0.44 -0.24 1.22 5.41 -0.91 -2.69 119.36 118.07 1jgn n ILE 32 Ca -0.07 -0.06 -0.04 0.00 1.00 0.00 0.00 62.75 63.59 1jgn n ILE 32 Cb 0.40 -0.67 0.14 0.00 -0.71 0.00 0.00 39.64 38.80 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 1.06 -0.07 0.38 5.75 0.27 1.44 115.11 123.94 1jgn h GLN 33 Ca 0.00 -0.17 -0.10 0.00 -0.15 0.00 0.00 58.65 58.23 1jgn h GLN 33 Cb 0.55 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 1jgn h GLN 33 CO 0.00 0.85 -0.41 0.00 -2.65 0.00 0.00 178.83 176.61 1jgn h ALA 34 N 1.30 1.18 -0.88 3.38 0.00 -1.47 -2.28 119.26 120.49 1jgn h ALA 34 Ca 0.25 -0.40 -0.38 0.00 0.00 0.00 0.00 54.91 54.38 1jgn h ALA 34 Cb 0.16 -0.08 -0.23 0.00 0.00 0.00 0.00 17.79 17.64 1jgn h ALA 34 CO -0.03 0.57 0.48 -1.33 0.00 0.00 0.00 179.25 178.94 1jgn n MET 35 N -4.03 2.93 0.08 0.00 2.81 0.17 -4.61 117.12 114.47 1jgn n MET 35 Ca -0.02 -3.05 0.02 0.00 -1.81 0.00 0.00 57.70 52.84 1jgn n MET 35 Cb 0.47 -2.20 0.37 0.00 -0.71 0.00 0.00 33.22 31.15 1jgn n MET 35 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1jgn h HIS 36 N 1.77 0.35 -1.31 2.03 -0.00 0.25 -3.14 115.15 115.09 1jgn h HIS 36 Ca 0.47 -0.03 0.41 0.00 -0.00 0.00 0.00 60.37 61.22 1jgn h HIS 36 Cb 2.63 -0.10 -0.08 0.00 -0.00 0.00 0.00 27.41 29.86 1jgn h HIS 36 CO 1.46 0.40 0.91 -2.30 -0.00 0.00 0.00 177.93 178.40 1jgn n PRO 37 N -4.31 -0.01 0.00 5.12 -0.01 -1.26 -2.05 135.00 132.48 1jgn n PRO 37 Ca 0.00 0.90 0.00 0.00 -0.01 0.00 0.00 63.50 64.39 1jgn n PRO 37 Cb 0.23 -1.92 0.00 0.00 -0.01 0.00 0.00 33.50 31.81 1jgn n PRO 37 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 175.50 177.90 1jgn n THR 38 N -3.83 0.00 -2.68 3.45 -1.04 -1.18 -4.99 114.28 104.00 1jgn n THR 38 Ca 0.33 0.06 -0.05 0.00 -2.04 0.00 0.00 64.05 62.35 1jgn n THR 38 Cb 1.40 -0.16 0.08 0.00 -1.82 0.00 0.00 70.33 69.83 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 -0.16 -1.50 -0.53 -4.42 7.94 -0.87 -5.01 117.00 112.45 1jgn n LEU 39 Ca 0.00 -2.40 0.43 0.00 -1.11 0.00 0.00 56.01 52.93 1jgn n LEU 39 Cb 0.00 0.82 0.71 0.00 0.53 0.00 0.00 43.42 45.48 1jgn n LEU 39 CO 0.00 1.61 1.28 0.00 -1.11 0.00 0.00 177.39 179.17 1jgn n ALA 40 N 0.06 1.49 -0.03 1.96 0.00 -1.25 -1.45 120.51 121.30 1jgn n ALA 40 Ca -0.09 0.82 -0.14 0.00 0.00 0.00 0.00 53.44 54.04 1jgn n ALA 40 Cb 0.73 -1.08 -0.08 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.94 1.97 0.00 0.00 -1.92 -1.38 103.07 100.81 1jgn h GLY 41 Ca 0.90 0.63 -0.19 0.00 0.00 0.00 0.00 47.33 48.67 1jgn h GLY 41 CO -0.37 -0.20 -0.89 1.70 0.00 0.00 0.00 176.54 176.79 1jgn h LYS 42 N -0.53 0.02 0.58 4.80 1.63 -1.69 -3.30 116.57 118.09 1jgn h LYS 42 Ca 0.06 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.81 1jgn h LYS 42 Cb 0.66 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.28 1jgn h LYS 42 CO -0.45 0.89 -0.42 0.82 -3.45 0.00 0.00 179.45 176.84 1jgn h ILE 43 N 0.01 0.15 -0.77 2.00 2.04 -1.21 -2.47 117.51 117.26 1jgn h ILE 43 Ca -0.01 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.03 1jgn h ILE 43 Cb 1.56 0.15 -0.12 0.00 -0.74 0.00 0.00 36.82 37.67 1jgn h ILE 43 CO 0.12 0.00 0.15 0.00 0.00 0.00 0.00 178.15 178.42 1jgn h THR 44 N -0.97 0.43 0.03 -0.27 1.03 -1.39 -2.12 112.91 109.65 1jgn h THR 44 Ca -0.07 -0.07 0.00 0.00 -0.01 0.00 0.00 66.41 66.26 1jgn h THR 44 Cb 0.81 0.19 -0.02 0.00 -1.07 0.00 0.00 68.15 68.06 1jgn h THR 44 CO 0.03 0.04 -0.16 1.23 -0.01 0.00 0.00 175.52 176.64 1jgn h GLY 45 N 0.22 -1.23 0.54 2.99 0.00 -1.53 0.49 103.07 104.55 1jgn h GLY 45 Ca 0.45 0.57 0.05 0.00 0.00 0.00 0.00 47.33 48.40 1jgn h GLY 45 CO -0.58 -0.41 -0.06 -0.33 0.00 0.00 0.00 176.54 175.16 1jgn h MET 46 N -0.23 0.00 0.00 4.80 2.86 -1.19 -0.18 114.93 120.99 1jgn h MET 46 Ca -0.00 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1jgn h MET 46 Cb 0.23 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 1jgn h MET 46 CO -0.09 0.00 0.00 1.28 1.06 0.00 0.00 176.91 179.16 1jgn n LEU 47 N -5.21 0.00 0.01 1.22 7.99 -0.82 -3.37 117.00 116.81 1jgn n LEU 47 Ca -0.02 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.03 1jgn n LEU 47 Cb 0.14 0.00 0.22 0.00 -0.11 0.00 0.00 43.42 43.66 1jgn n LEU 47 CO 0.23 0.00 0.66 -0.11 -1.51 0.00 0.00 177.39 176.65 1jgn n LEU 48 N -0.83 0.04 -0.65 2.23 -0.00 0.17 -1.87 117.00 116.08 1jgn n LEU 48 Ca 0.13 0.51 0.01 0.00 -0.00 0.00 0.00 56.01 56.66 1jgn n LEU 48 Cb 0.06 -0.51 0.05 0.00 -0.00 0.00 0.00 43.42 43.02 1jgn n LEU 48 CO 0.10 -0.36 0.33 -0.62 -0.00 0.00 0.00 177.39 176.84 1jgn n GLU 49 N -1.55 1.46 -2.18 1.96 -0.58 -1.22 -4.77 120.64 113.77 1jgn n GLU 49 Ca 0.02 -0.38 -0.28 0.00 -0.42 0.00 0.00 57.16 56.10 1jgn n GLU 49 Cb 0.11 -1.58 0.04 0.00 -0.57 0.00 0.00 31.44 29.44 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 -1.23 3.67 0.71 -3.67 2.07 -0.78 -5.06 121.20 116.91 1jgn s ILE 50 Ca 0.07 0.23 -0.12 0.00 -1.41 0.00 0.00 60.65 59.41 1jgn s ILE 50 Cb 0.05 -3.49 0.02 0.00 0.13 0.00 0.00 42.46 39.17 1jgn s ILE 50 CO 0.02 -0.57 1.09 -1.81 -1.91 0.00 0.00 174.94 171.76 1jgn s ASP 51 N -4.31 4.94 0.03 4.50 1.11 -1.26 -4.95 116.67 116.72 1jgn s ASP 51 Ca 0.55 1.85 0.11 0.00 0.18 0.00 0.00 52.55 55.24 1jgn s ASP 51 Cb -0.11 -2.53 -0.22 0.00 1.07 0.00 0.00 42.92 41.14 1jgn s ASP 51 CO 0.48 -1.74 0.92 0.78 1.18 0.00 0.00 175.17 176.79 1jgn h ASN 52 N -0.56 0.00 0.35 0.27 4.21 -1.97 -2.61 115.58 115.27 1jgn h ASN 52 Ca -0.45 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 56.89 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 0.98 -0.70 0.28 -1.29 0.00 0.00 177.43 177.23 1jgn h SER 53 N 0.00 0.36 0.85 5.81 0.02 -2.01 -3.04 113.55 115.54 1jgn h SER 53 Ca -0.17 -0.23 -0.15 0.00 -0.84 0.00 0.00 61.79 60.39 1jgn h SER 53 Cb 1.90 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 64.31 1jgn h SER 53 CO 0.10 0.95 -0.73 -0.33 -1.14 0.00 0.00 176.83 175.68 1jgn h GLU 54 N 0.21 0.00 -0.38 3.45 5.08 -1.96 -3.20 114.58 117.78 1jgn h GLU 54 Ca -0.02 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1jgn h GLU 54 Cb 1.26 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1jgn h GLU 54 CO 0.11 0.73 0.20 1.37 -1.00 0.00 0.00 179.01 180.42 1jgn h LEU 55 N 0.00 0.30 -0.42 1.33 8.10 -1.34 -1.96 115.31 121.32 1jgn h LEU 55 Ca -0.01 0.01 0.01 0.00 0.11 0.00 0.00 57.88 58.01 1jgn h LEU 55 Cb 1.35 -0.05 -0.02 0.00 -0.44 0.00 0.00 40.66 41.50 1jgn h LEU 55 CO 0.09 0.22 0.26 0.25 -4.11 0.00 0.00 178.44 175.16 1jgn h LEU 56 N 0.40 0.44 -1.85 0.17 6.46 -1.57 -0.97 115.31 118.39 1jgn h LEU 56 Ca 0.16 -0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.91 1jgn h LEU 56 Cb 0.05 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 1jgn h LEU 56 CO -0.10 0.32 0.00 0.45 -0.62 0.00 0.00 178.44 178.49 1jgn h HIS 57 N 0.53 0.00 0.14 1.25 3.86 -1.42 -2.98 115.15 116.54 1jgn h HIS 57 Ca 0.16 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.36 1jgn h HIS 57 Cb -0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.44 1jgn h HIS 57 CO -0.06 0.00 -0.07 0.52 0.86 0.00 0.00 177.93 179.19 1jgn h MET 58 N 0.00 -0.18 0.00 2.45 2.86 -0.44 -1.56 114.93 118.06 1jgn h MET 58 Ca 0.00 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1jgn h MET 58 Cb 0.09 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1jgn h MET 58 CO 0.00 0.16 0.00 1.47 1.06 0.00 0.00 176.91 179.60 1jgn n LEU 59 N -4.88 0.26 0.00 1.22 -0.00 -1.15 -0.73 117.00 111.73 1jgn n LEU 59 Ca -0.06 0.59 0.10 0.00 -0.00 0.00 0.00 56.01 56.65 1jgn n LEU 59 Cb 0.21 -0.59 -0.09 0.00 -0.00 0.00 0.00 43.42 42.94 1jgn n LEU 59 CO 0.17 -0.56 -0.14 -1.84 -0.00 0.00 0.00 177.39 175.03 1jgn n GLU 60 N -1.82 0.15 -3.89 1.47 0.28 -1.14 -4.73 120.64 110.97 1jgn n GLU 60 Ca 0.01 -0.04 -0.30 0.00 -0.16 0.00 0.00 57.16 56.67 1jgn n GLU 60 Cb 0.09 -1.51 -0.14 0.00 1.43 0.00 0.00 31.44 31.31 1jgn n GLU 60 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1jgn s SER 61 N -3.37 4.21 0.40 -1.84 0.15 0.10 -4.96 113.70 108.38 1jgn s SER 61 Ca 0.05 -2.72 0.11 0.00 0.70 0.00 0.00 55.95 54.09 1jgn s SER 61 Cb 0.16 -1.45 0.83 0.00 -1.71 0.00 0.00 66.02 63.85 1jgn s SER 61 CO 0.86 -0.27 1.92 1.55 1.20 0.00 0.00 173.24 178.50 1jgn h PRO 62 N 6.80 0.15 0.05 5.44 0.13 -1.85 0.11 132.00 142.83 1jgn h PRO 62 Ca -0.06 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.94 1jgn h PRO 62 Cb 0.93 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.05 1jgn h PRO 62 CO 0.60 0.33 -0.38 1.05 -0.23 0.00 0.00 178.00 179.36 1jgn h GLU 63 N 0.14 0.17 0.26 0.86 -0.00 -1.92 -3.04 114.58 111.05 1jgn h GLU 63 Ca 0.03 -0.25 -0.01 0.00 -0.00 0.00 0.00 59.36 59.12 1jgn h GLU 63 Cb 0.39 0.09 0.00 0.00 -0.00 0.00 0.00 28.75 29.23 1jgn h GLU 63 CO 0.03 1.07 -0.12 0.77 -0.00 0.00 0.00 179.01 180.75 1jgn h SER 64 N -0.60 -0.29 0.71 3.06 0.02 -1.91 -3.00 113.55 111.54 1jgn h SER 64 Ca -0.06 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.62 1jgn h SER 64 Cb 1.24 0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.86 1jgn h SER 64 CO 0.07 0.19 -0.42 0.25 -1.14 0.00 0.00 176.83 175.78 1jgn h LEU 65 N -0.89 -1.06 -1.88 5.07 7.12 -0.97 -1.76 115.31 120.94 1jgn h LEU 65 Ca -0.04 0.06 0.27 0.00 0.13 0.00 0.00 57.88 58.30 1jgn h LEU 65 Cb 0.51 0.31 -0.05 0.00 -0.53 0.00 0.00 40.66 40.89 1jgn h LEU 65 CO 0.06 -0.66 0.69 -0.09 -0.13 0.00 0.00 178.44 178.31 1jgn h ARG 66 N -1.06 0.08 -0.45 1.25 2.43 -1.66 0.65 114.38 115.62 1jgn h ARG 66 Ca -0.10 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 58.95 1jgn h ARG 66 Cb 0.84 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1jgn h ARG 66 CO 0.11 0.05 -0.20 0.77 -1.51 0.00 0.00 179.97 179.19 1jgn h SER 67 N 0.09 0.96 0.68 -3.80 0.02 -1.30 0.41 113.55 110.60 1jgn h SER 67 Ca 0.48 -0.39 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1jgn h SER 67 Cb 1.76 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 64.04 1jgn h SER 67 CO -0.05 1.14 -0.33 0.11 -1.14 0.00 0.00 176.83 176.56 1jgn h LYS 68 N 0.77 -0.88 0.00 3.45 1.57 0.11 -2.86 116.57 118.74 1jgn h LYS 68 Ca 0.10 0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.94 1jgn h LYS 68 Cb 0.77 0.20 -0.00 0.00 0.08 0.00 0.00 32.23 33.28 1jgn h LYS 68 CO 0.06 -0.57 -0.00 0.28 -0.57 0.00 0.00 179.45 178.65 1jgn h VAL 69 N -1.20 0.10 -0.31 0.50 2.07 -1.17 -1.00 116.25 115.25 1jgn h VAL 69 Ca -0.09 -0.03 0.05 0.00 0.82 0.00 0.00 66.70 67.44 1jgn h VAL 69 Cb 0.71 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 1jgn h VAL 69 CO 0.15 0.00 0.02 -0.78 0.02 0.00 0.00 177.57 176.99 1jgn h ASP 70 N 0.00 -0.07 0.60 0.57 3.58 -0.67 0.22 116.42 120.65 1jgn h ASP 70 Ca -0.00 0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.45 1jgn h ASP 70 Cb 0.03 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 1jgn h ASP 70 CO 0.00 -0.00 -0.30 -0.08 -2.88 0.00 0.00 179.24 175.98 1jgn h GLU 71 N 0.12 0.00 0.30 0.28 4.81 -1.16 -3.11 114.58 115.83 1jgn h GLU 71 Ca 0.15 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1jgn h GLU 71 Cb 0.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.57 1jgn h GLU 71 CO -0.23 0.30 -0.15 0.00 -0.73 0.00 0.00 179.01 178.21 1jgn h ALA 72 N 1.70 -0.41 -0.54 2.92 0.00 -0.27 -0.78 119.26 121.88 1jgn h ALA 72 Ca -0.00 -0.13 0.16 0.00 0.00 0.00 0.00 54.91 54.94 1jgn h ALA 72 Cb 0.68 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1jgn h ALA 72 CO 0.04 -0.67 0.41 -0.39 0.00 0.00 0.00 179.25 178.64 1jgn h VAL 73 N -0.52 0.67 -0.21 0.00 -1.51 -0.80 0.18 116.25 114.05 1jgn h VAL 73 Ca -0.04 0.00 -0.16 0.00 -1.23 0.00 0.00 66.70 65.27 1jgn h VAL 73 Cb 0.39 0.71 -0.01 0.00 -2.13 0.00 0.00 31.29 30.25 1jgn h VAL 73 CO 0.07 0.00 -0.51 0.00 -1.23 0.00 0.00 177.57 175.90 1jgn h ALA 74 N 1.69 0.72 -0.32 5.19 0.00 -1.26 -2.61 119.26 122.68 1jgn h ALA 74 Ca 0.26 -0.49 0.09 0.00 0.00 0.00 0.00 54.91 54.77 1jgn h ALA 74 Cb 1.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1jgn h ALA 74 CO -0.00 0.68 0.26 -0.39 0.00 0.00 0.00 179.25 179.79 1jgn h VAL 75 N 0.46 0.68 0.07 0.00 -1.51 0.77 0.95 116.25 117.66 1jgn h VAL 75 Ca 0.02 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.48 1jgn h VAL 75 Cb 1.05 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.02 1jgn h VAL 75 CO 0.10 0.00 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.34 1jgn h LEU 76 N 0.00 -0.08 -1.49 4.19 -0.00 -1.40 0.11 115.31 116.65 1jgn h LEU 76 Ca 0.15 -0.49 0.18 0.00 -0.00 0.00 0.00 57.88 57.72 1jgn h LEU 76 Cb 0.66 0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 41.28 1jgn h LEU 76 CO -0.00 0.49 0.57 1.56 -0.00 0.00 0.00 178.44 181.06 1jgn h GLN 77 N -0.68 0.44 0.00 1.13 1.08 -0.94 0.47 115.11 116.61 1jgn h GLN 77 Ca -0.01 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.13 1jgn h GLN 77 Cb 0.57 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.89 1jgn h GLN 77 CO 0.02 0.29 -0.36 0.00 -0.95 0.00 0.00 178.83 177.82 1jgn h ALA 78 N 1.62 0.82 0.62 3.87 0.00 -0.80 -3.31 119.26 122.07 1jgn h ALA 78 Ca 0.45 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1jgn h ALA 78 Cb 1.03 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1jgn h ALA 78 CO -0.17 0.19 -0.34 1.25 0.00 0.00 0.00 179.25 180.18 1jgn h HIS 79 N 0.00 -0.90 0.00 0.00 6.17 0.27 -2.14 115.15 118.55 1jgn h HIS 79 Ca -0.01 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.06 1jgn h HIS 79 Cb 1.12 0.31 0.00 0.00 2.52 0.00 0.00 27.41 31.36 1jgn h HIS 79 CO 0.00 -0.53 0.00 1.04 0.71 0.00 0.00 177.93 179.15 1jgn n GLN 80 N -4.53 0.29 -0.01 5.26 6.02 -1.12 -2.11 117.38 121.18 1jgn n GLN 80 Ca -0.11 0.09 -0.00 0.00 -0.01 0.00 0.00 57.00 56.97 1jgn n GLN 80 Cb 0.36 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 30.12 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 2.70 -0.01 0.00 -1.58 0.00 -1.48 -3.02 119.26 115.86 1jgn h ALA 81 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jgn h ALA 81 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1jgn h ALA 81 CO 0.00 -0.01 0.00 0.87 0.00 0.00 0.00 179.25 180.11 1jgn h LYS 82 N -0.13 0.00 0.00 0.00 1.79 -1.53 -2.79 116.57 113.91 1jgn h LYS 82 Ca -0.00 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1jgn h LYS 82 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1jgn h LYS 82 CO 0.00 0.00 -0.00 1.49 -1.08 0.00 0.00 179.45 179.86 1jgn h GLU 83 N 0.00 -0.00 0.00 3.15 4.57 -1.61 -3.29 114.58 117.40 1jgn h GLU 83 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jgn h GLU 83 Cb 0.69 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.28 1jgn h GLU 83 CO 0.00 0.98 0.00 0.00 -1.18 0.00 0.00 179.01 178.81 1jgn n ALA 84 N -2.61 2.47 -0.07 2.92 0.00 -1.14 -3.42 120.51 118.67 1jgn n ALA 84 Ca -0.10 -0.16 -0.14 0.00 0.00 0.00 0.00 53.44 53.04 1jgn n ALA 84 Cb 0.47 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.41 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 3.59 0.32 -0.96 0.00 0.00 -1.56 -3.37 119.26 117.28 1jgn h ALA 85 Ca 0.00 -0.43 -0.65 0.00 0.00 0.00 0.00 54.91 53.83 1jgn h ALA 85 Cb 0.08 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 1jgn h ALA 85 CO 0.00 0.37 1.96 -0.65 0.00 0.00 0.00 179.25 180.93 1jgn s GLN 86 N -4.12 3.86 0.00 0.00 -0.21 -1.22 -4.70 119.66 113.26 1jgn s GLN 86 Ca -0.13 -1.71 0.20 0.00 0.02 0.00 0.00 55.36 53.74 1jgn s GLN 86 Cb 0.07 -5.47 0.53 0.00 1.00 0.00 0.00 33.01 29.14 1jgn s GLN 86 CO 0.82 -2.24 1.44 1.63 -2.12 0.00 0.00 175.29 174.82 1jgn n LYS 87 N 8.52 2.20 0.00 2.91 4.76 -1.26 -3.98 118.16 131.31 1jgn n LYS 87 Ca 0.43 -1.83 0.14 0.00 -2.87 0.00 0.00 58.31 54.18 1jgn n LYS 87 Cb 0.48 -1.44 0.54 0.00 -1.84 0.00 0.00 35.03 32.76 1jgn n LYS 87 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jgn n ALA 88 N 1.01 2.73 -2.84 7.82 0.00 -1.26 -4.82 120.51 123.15 1jgn n ALA 88 Ca 0.18 -0.39 -0.34 0.00 0.00 0.00 0.00 53.44 52.89 1jgn n ALA 88 Cb 0.47 -1.21 -0.10 0.00 0.00 0.00 0.00 19.45 18.61 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 -2.18 4.62 -0.21 0.00 0.11 -1.26 -5.09 120.40 116.39 1jgn s VAL 89 Ca 0.34 -0.10 -0.07 0.00 -2.93 0.00 0.00 61.98 59.22 1jgn s VAL 89 Cb 0.21 -3.06 -0.04 0.00 -1.53 0.00 0.00 36.38 31.95 1jgn s VAL 89 CO 0.40 0.48 0.07 0.20 -3.33 0.00 0.00 175.10 172.92 1jgn s ASN 90 N 0.29 5.44 0.00 3.54 0.01 -1.26 -5.04 114.94 117.92 1jgn s ASN 90 Ca 0.02 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.13 1jgn s ASN 90 Cb -0.13 -1.95 0.00 0.00 0.41 0.00 0.00 41.25 39.58 1jgn s ASN 90 CO 0.01 0.08 0.00 -1.20 -1.51 0.00 0.00 177.10 174.48 1jgn n SER 91 N 4.17 0.00 0.00 -1.22 7.64 -1.26 -5.00 113.62 117.95 1jgn n SER 91 Ca -0.16 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.72 1jgn n SER 91 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 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 -2.78 0.00 -3.89 -0.43 0.00 -1.26 -5.07 120.51 107.07 1jgn n ALA 92 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1jgn n ALA 92 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.18 0.00 0.00 0.00 -2.24 -1.26 -5.15 114.28 103.45 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 -0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.12 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 0.28 3.43 3.38 0.00 -1.26 -4.96 105.19 111.07 1jgn n GLY 94 Ca 0.00 -0.05 -0.36 0.00 0.00 0.00 0.00 46.02 45.62 1jgn n GLY 94 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jgn s VAL 95 N 0.00 4.07 -1.12 1.61 -7.23 -1.26 -5.00 120.40 111.47 1jgn s VAL 95 Ca 0.00 -0.26 -0.22 0.00 -1.81 0.00 0.00 61.98 59.69 1jgn s VAL 95 Cb 0.00 -2.87 -0.09 0.00 0.56 0.00 0.00 36.38 33.98 1jgn s VAL 95 CO 0.00 0.39 1.92 -2.65 -0.31 0.00 0.00 175.10 174.45 1jgn n PRO 96 N 4.60 1.70 -4.14 4.82 -0.02 -1.26 -4.92 135.00 135.78 1jgn n PRO 96 Ca -0.17 -2.41 -0.35 0.00 -2.02 0.00 0.00 63.50 58.56 1jgn n PRO 96 Cb 0.51 -3.56 -0.10 0.00 -0.02 0.00 0.00 33.50 30.34 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 9.40 4.58 0.00 3.45 -4.23 -1.26 -5.31 115.64 122.27 1jgn s THR 97 Ca 0.65 -0.12 0.00 0.00 -1.18 0.00 0.00 61.69 61.04 1jgn s THR 97 Cb 0.03 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1jgn s THR 97 CO 0.13 0.50 0.19 1.33 -0.54 0.00 0.00 174.62 176.23