#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgn s PRO 2 N 0.00 1.90 -0.05 1.61 0.02 -1.23 -4.61 135.00 132.64 1jgn s PRO 2 Ca 0.00 -0.81 -0.05 0.00 0.02 0.00 0.00 61.00 60.16 1jgn s PRO 2 Cb 0.00 -5.12 -0.02 0.00 0.02 0.00 0.00 34.50 29.38 1jgn s PRO 2 CO 0.00 -4.65 -0.10 1.28 -0.33 0.00 0.00 177.00 173.20 1jgn n LEU 3 N 16.78 0.55 0.00 -5.54 7.99 -1.25 -4.95 117.00 130.57 1jgn n LEU 3 Ca 0.43 0.09 0.00 0.00 -0.01 0.00 0.00 56.01 56.53 1jgn n LEU 3 Cb 0.47 -0.57 0.00 0.00 -0.11 0.00 0.00 43.42 43.21 1jgn n LEU 3 CO 0.64 -0.44 0.00 0.61 -1.51 0.00 0.00 177.39 176.69 1jgn n GLY 4 N 1.49 0.27 0.08 -0.72 0.00 -1.26 -4.99 105.19 100.05 1jgn n GLY 4 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 1jgn n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1jgn h SER 5 N 0.00 0.00 -0.37 1.61 0.87 -1.96 -3.42 113.55 110.28 1jgn h SER 5 Ca 0.00 -0.82 -0.11 0.00 -1.23 0.00 0.00 61.79 59.63 1jgn h SER 5 Cb 0.00 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.94 1jgn h SER 5 CO 0.00 1.08 0.31 -2.84 -0.53 0.00 0.00 176.83 174.84 1jgn s PRO 6 N -2.21 1.78 0.00 2.24 0.02 -1.26 -4.67 135.00 130.89 1jgn s PRO 6 Ca -0.20 -0.13 0.00 0.00 0.02 0.00 0.00 61.00 60.69 1jgn s PRO 6 Cb -0.01 -4.95 0.00 0.00 0.02 0.00 0.00 34.50 29.56 1jgn s PRO 6 CO 0.62 -4.48 0.00 -0.11 -0.33 0.00 0.00 177.00 172.70 1jgn n LEU 7 N 17.50 0.00 0.01 -5.54 7.94 -1.26 -3.49 117.00 132.15 1jgn n LEU 7 Ca 0.44 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 55.21 1jgn n LEU 7 Cb 0.45 -0.31 -0.14 0.00 0.53 0.00 0.00 43.42 43.95 1jgn n LEU 7 CO 0.58 -0.33 -0.47 0.00 -1.11 0.00 0.00 177.39 176.07 1jgn h THR 8 N 0.00 0.96 -0.77 1.96 1.03 -1.96 -3.08 112.91 111.05 1jgn h THR 8 Ca 0.00 -2.73 0.02 0.00 -0.01 0.00 0.00 66.41 63.69 1jgn h THR 8 Cb 0.00 2.56 -0.04 0.00 -1.07 0.00 0.00 68.15 69.60 1jgn h THR 8 CO 0.00 0.69 0.51 0.00 -0.01 0.00 0.00 175.52 176.71 1jgn h ALA 9 N 0.71 1.49 -0.24 0.00 0.00 -1.89 0.58 119.26 119.92 1jgn h ALA 9 Ca -0.27 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1jgn h ALA 9 Cb 1.99 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1jgn h ALA 9 CO 0.11 0.45 -0.30 1.03 0.00 0.00 0.00 179.25 180.54 1jgn h SER 10 N 1.00 0.49 -0.41 0.00 0.87 -1.76 -2.44 113.55 111.30 1jgn h SER 10 Ca 0.29 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.61 1jgn h SER 10 Cb -0.05 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 1jgn h SER 10 CO -0.07 0.77 0.07 0.24 -0.53 0.00 0.00 176.83 177.31 1jgn h MET 11 N 0.42 0.76 -0.47 2.24 2.86 -0.89 -2.29 114.93 117.56 1jgn h MET 11 Ca 0.05 -0.17 0.09 0.00 -2.06 0.00 0.00 59.70 57.62 1jgn h MET 11 Cb 0.74 -0.11 -0.08 0.00 0.06 0.00 0.00 31.60 32.22 1jgn h MET 11 CO 0.06 0.72 -0.00 -0.07 1.06 0.00 0.00 176.91 178.68 1jgn h LEU 12 N 0.72 -0.21 -1.33 1.22 4.07 -0.50 0.94 115.31 120.22 1jgn h LEU 12 Ca 0.15 0.11 -0.07 0.00 0.08 0.00 0.00 57.88 58.16 1jgn h LEU 12 Cb 0.35 0.20 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 1jgn h LEU 12 CO 0.01 -0.07 -0.27 0.00 -1.08 0.00 0.00 178.44 177.03 1jgn h ALA 13 N 1.42 1.44 -0.55 1.53 0.00 -1.43 -2.60 119.26 119.08 1jgn h ALA 13 Ca 0.24 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jgn h ALA 13 Cb 0.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1jgn h ALA 13 CO -0.40 0.40 0.00 -1.13 0.00 0.00 0.00 179.25 178.13 1jgn n SER 14 N -4.18 5.47 -3.77 0.00 3.41 0.50 -4.87 113.62 110.17 1jgn n SER 14 Ca -0.02 -2.90 -0.23 0.00 -0.26 0.00 0.00 58.87 55.46 1jgn n SER 14 Cb 0.35 -0.66 -0.17 0.00 -0.26 0.00 0.00 64.21 63.46 1jgn n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jgn s ALA 15 N -2.70 0.73 1.11 7.33 0.00 0.30 -4.97 121.76 123.55 1jgn s ALA 15 Ca 0.53 -0.16 -0.15 0.00 0.00 0.00 0.00 51.96 52.18 1jgn s ALA 15 Cb 0.40 -0.77 0.18 0.00 0.00 0.00 0.00 23.12 22.93 1jgn s ALA 15 CO 0.16 -0.49 0.56 -2.30 0.00 0.00 0.00 175.76 173.69 1jgn n PRO 16 N 5.14 -1.74 -0.29 0.00 -0.02 -1.26 -4.77 135.00 132.06 1jgn n PRO 16 Ca -0.07 -0.48 0.07 0.00 -2.02 0.00 0.00 63.50 60.99 1jgn n PRO 16 Cb 0.50 -1.97 0.28 0.00 -0.02 0.00 0.00 33.50 32.30 1jgn n PRO 16 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1jgn h PRO 17 N -2.27 0.89 0.00 0.52 0.11 -2.01 0.64 132.00 129.88 1jgn h PRO 17 Ca -0.55 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.51 1jgn h PRO 17 Cb 1.33 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1jgn h PRO 17 CO 0.43 0.59 0.00 1.04 -0.21 0.00 0.00 178.00 179.84 1jgn n GLN 18 N -4.52 0.07 -0.15 1.05 1.13 -1.26 -2.55 117.38 111.14 1jgn n GLN 18 Ca 0.15 0.22 0.03 0.00 -1.94 0.00 0.00 57.00 55.46 1jgn n GLN 18 Cb 0.28 -1.61 0.10 0.00 0.11 0.00 0.00 30.24 29.13 1jgn n GLN 18 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71 1jgn n GLU 19 N -1.73 1.66 0.10 -1.09 4.07 0.22 -4.33 120.64 119.54 1jgn n GLU 19 Ca 0.04 -0.81 -0.14 0.00 -0.06 0.00 0.00 57.16 56.19 1jgn n GLU 19 Cb 0.25 -1.30 -0.07 0.00 -0.06 0.00 0.00 31.44 30.25 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 1.24 -0.61 -0.02 5.31 3.07 -1.60 -0.39 115.11 122.11 1jgn h GLN 20 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.79 1jgn h GLN 20 Cb 0.45 0.14 -0.00 0.00 0.08 0.00 0.00 27.48 28.15 1jgn h GLN 20 CO 0.04 -0.41 0.21 1.57 0.09 0.00 0.00 178.83 180.33 1jgn h LYS 21 N -0.64 0.00 0.00 0.06 5.09 -1.72 -1.03 116.57 118.34 1jgn h LYS 21 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.77 1jgn h LYS 21 Cb 0.68 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.01 1jgn h LYS 21 CO -0.27 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 178.03 1jgn n GLN 22 N -3.02 0.00 0.00 0.07 -0.06 -0.17 -4.27 117.38 109.93 1jgn n GLN 22 Ca -0.02 0.03 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 1jgn n GLN 22 Cb 0.27 -0.70 0.00 0.00 -4.06 0.00 0.00 30.24 25.75 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 -0.58 0.00 0.00 3.69 0.00 -1.11 -4.19 117.12 114.93 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 -0.14 0.03 0.00 0.00 0.00 0.00 33.22 33.11 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 -4.79 117.00 114.15 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 -0.82 3.14 0.02 1.47 0.00 -0.39 -1.17 105.19 107.43 1jgn n GLY 25 Ca 0.01 0.08 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.04 0.00 1.61 3.07 -1.87 -3.00 114.58 114.34 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 -2.44 0.00 0.00 2.33 3.00 -0.69 -4.91 116.66 113.94 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 -0.28 6.15 4.77 -0.32 -3.43 117.00 123.88 1jgn n LEU 28 Ca 0.00 0.86 0.07 0.00 -0.03 0.00 0.00 56.01 56.90 1jgn n LEU 28 Cb 0.48 -0.36 0.15 0.00 -2.33 0.00 0.00 43.42 41.36 1jgn n LEU 28 CO 0.00 -0.36 0.56 0.33 -1.33 0.00 0.00 177.39 176.59 1jgn n PHE 29 N -1.62 0.35 -0.29 -1.77 -0.00 -1.22 -0.42 117.46 112.48 1jgn n PHE 29 Ca 0.00 0.97 -0.03 0.00 -0.00 0.00 0.00 57.45 58.39 1jgn n PHE 29 Cb 0.00 -1.00 0.08 0.00 -0.00 0.00 0.00 39.48 38.56 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 1.02 -0.11 -7.13 0.11 -1.84 1.21 132.00 125.27 1jgn h PRO 30 Ca 0.41 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 66.41 1jgn h PRO 30 Cb 0.71 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 31.59 1jgn h PRO 30 CO -0.80 0.67 -0.15 -0.07 -0.21 0.00 0.00 178.00 177.44 1jgn h LEU 31 N 1.05 0.32 -0.24 2.35 3.38 -0.76 -2.57 115.31 118.83 1jgn h LEU 31 Ca 0.31 -0.52 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1jgn h LEU 31 Cb -0.06 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1jgn h LEU 31 CO -0.09 0.77 0.00 -0.38 0.09 0.00 0.00 178.44 178.84 1jgn n ILE 32 N -4.58 0.65 -0.27 1.22 5.41 -0.75 -2.44 119.36 118.60 1jgn n ILE 32 Ca -0.07 0.05 -0.04 0.00 1.00 0.00 0.00 62.75 63.69 1jgn n ILE 32 Cb 0.37 -0.85 0.12 0.00 -0.71 0.00 0.00 39.64 38.56 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 1.13 -0.03 0.38 4.15 0.19 1.29 115.11 122.24 1jgn h GLN 33 Ca 0.00 -0.17 -0.08 0.00 0.77 0.00 0.00 58.65 59.16 1jgn h GLN 33 Cb 0.47 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1jgn h GLN 33 CO 0.00 0.88 -0.38 0.00 -1.93 0.00 0.00 178.83 177.40 1jgn h ALA 34 N 1.27 1.32 -0.82 3.38 0.00 -1.41 -1.97 119.26 121.03 1jgn h ALA 34 Ca 0.27 -0.36 -0.31 0.00 0.00 0.00 0.00 54.91 54.51 1jgn h ALA 34 Cb 0.13 -0.07 -0.18 0.00 0.00 0.00 0.00 17.79 17.67 1jgn h ALA 34 CO -0.03 0.50 0.39 -1.33 0.00 0.00 0.00 179.25 178.77 1jgn n MET 35 N -4.08 3.30 0.11 0.00 2.81 0.30 -4.58 117.12 114.98 1jgn n MET 35 Ca -0.02 -3.08 0.02 0.00 -1.81 0.00 0.00 57.70 52.81 1jgn n MET 35 Cb 0.42 -2.21 0.36 0.00 -0.71 0.00 0.00 33.22 31.08 1jgn n MET 35 CO 0.00 0.00 0.00 1.12 1.51 0.00 0.00 175.97 178.60 1jgn h HIS 36 N 2.19 0.27 -0.99 2.03 -0.00 0.23 -3.18 115.15 115.70 1jgn h HIS 36 Ca 0.38 -0.04 0.34 0.00 -0.00 0.00 0.00 60.37 61.05 1jgn h HIS 36 Cb 2.51 -0.07 -0.09 0.00 -0.00 0.00 0.00 27.41 29.75 1jgn h HIS 36 CO 1.39 0.41 0.65 -2.30 -0.00 0.00 0.00 177.93 178.08 1jgn n PRO 37 N -4.24 -0.02 0.00 5.12 -0.02 -1.26 -2.02 135.00 132.56 1jgn n PRO 37 Ca -0.01 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1jgn n PRO 37 Cb 0.30 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 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 -3.99 0.00 -2.69 3.45 -1.04 -1.20 -5.00 114.28 103.81 1jgn n THR 38 Ca 0.28 0.05 -0.05 0.00 -2.04 0.00 0.00 64.05 62.29 1jgn n THR 38 Cb 1.11 -0.15 0.08 0.00 -1.82 0.00 0.00 70.33 69.56 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 -0.06 -1.71 -0.33 -4.42 -0.00 -0.86 -5.01 117.00 104.62 1jgn n LEU 39 Ca 0.00 -2.30 0.31 0.00 -0.00 0.00 0.00 56.01 54.02 1jgn n LEU 39 Cb 0.00 0.75 0.66 0.00 -0.00 0.00 0.00 43.42 44.83 1jgn n LEU 39 CO 0.00 1.72 1.28 0.00 -0.00 0.00 0.00 177.39 180.39 1jgn h ALA 40 N 3.07 2.78 -0.34 1.96 0.00 -1.77 -2.70 119.26 122.25 1jgn h ALA 40 Ca -0.22 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.73 1jgn h ALA 40 Cb 1.16 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.95 1jgn h ALA 40 CO -0.01 -1.15 -0.54 0.78 0.00 0.00 0.00 179.25 178.32 1jgn h GLY 41 N 0.15 -1.05 1.75 0.00 0.00 -1.92 -1.96 103.07 100.04 1jgn h GLY 41 Ca 0.59 0.72 -0.22 0.00 0.00 0.00 0.00 47.33 48.42 1jgn h GLY 41 CO -0.13 -0.15 -0.97 1.70 0.00 0.00 0.00 176.54 176.99 1jgn h LYS 42 N -0.43 0.21 0.25 4.80 1.63 -1.93 -3.28 116.57 117.82 1jgn h LYS 42 Ca 0.06 -0.27 0.01 0.00 -0.85 0.00 0.00 60.65 59.60 1jgn h LYS 42 Cb 0.60 0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.28 1jgn h LYS 42 CO -0.55 1.03 -0.42 0.82 -3.45 0.00 0.00 179.45 176.88 1jgn h ILE 43 N 0.10 0.16 -0.87 2.00 2.04 -1.38 -1.58 117.51 117.99 1jgn h ILE 43 Ca -0.06 0.00 0.18 0.00 1.00 0.00 0.00 64.86 65.98 1jgn h ILE 43 Cb 1.64 0.16 -0.11 0.00 -0.74 0.00 0.00 36.82 37.77 1jgn h ILE 43 CO 0.15 0.00 0.42 0.00 0.00 0.00 0.00 178.15 178.72 1jgn h THR 44 N -0.74 0.61 -0.02 -0.27 1.03 -1.49 -2.34 112.91 109.70 1jgn h THR 44 Ca -0.01 -0.18 0.01 0.00 -0.01 0.00 0.00 66.41 66.23 1jgn h THR 44 Cb 0.71 0.05 -0.02 0.00 -1.07 0.00 0.00 68.15 67.82 1jgn h THR 44 CO -0.16 0.09 -0.16 1.23 -0.01 0.00 0.00 175.52 176.51 1jgn h GLY 45 N 0.51 -1.36 0.54 2.99 0.00 -1.36 0.63 103.07 105.02 1jgn h GLY 45 Ca 0.51 0.64 0.06 0.00 0.00 0.00 0.00 47.33 48.54 1jgn h GLY 45 CO -0.44 -0.46 0.13 -0.33 0.00 0.00 0.00 176.54 175.44 1jgn h MET 46 N -0.18 0.28 0.00 4.80 2.86 -1.19 -0.02 114.93 121.48 1jgn h MET 46 Ca 0.01 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1jgn h MET 46 Cb 0.20 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1jgn h MET 46 CO -0.11 0.19 0.00 1.28 1.06 0.00 0.00 176.91 179.32 1jgn n LEU 47 N -5.04 0.00 0.02 1.22 7.99 -0.90 -3.62 117.00 116.66 1jgn n LEU 47 Ca 0.04 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 56.09 1jgn n LEU 47 Cb 0.18 0.00 0.23 0.00 -0.11 0.00 0.00 43.42 43.72 1jgn n LEU 47 CO 0.24 0.00 0.66 -0.11 -1.51 0.00 0.00 177.39 176.68 1jgn n LEU 48 N -0.70 0.08 -0.73 2.23 -0.00 0.22 -1.61 117.00 116.48 1jgn n LEU 48 Ca 0.09 0.52 0.00 0.00 -0.00 0.00 0.00 56.01 56.63 1jgn n LEU 48 Cb 0.04 -0.52 0.04 0.00 -0.00 0.00 0.00 43.42 42.99 1jgn n LEU 48 CO 0.07 -0.40 0.36 -0.62 -0.00 0.00 0.00 177.39 176.81 1jgn n GLU 49 N -1.59 1.43 -2.23 1.96 -0.58 -1.24 -4.80 120.64 113.59 1jgn n GLU 49 Ca 0.02 -0.37 -0.29 0.00 -0.42 0.00 0.00 57.16 56.09 1jgn n GLU 49 Cb 0.11 -1.53 0.01 0.00 -0.57 0.00 0.00 31.44 29.46 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 -1.10 4.61 0.68 -3.67 2.07 -0.63 -5.05 121.20 118.11 1jgn s ILE 50 Ca 0.07 0.50 -0.14 0.00 -1.41 0.00 0.00 60.65 59.67 1jgn s ILE 50 Cb 0.05 -3.80 0.01 0.00 0.13 0.00 0.00 42.46 38.85 1jgn s ILE 50 CO 0.02 -0.93 1.09 -1.81 -1.91 0.00 0.00 174.94 171.40 1jgn s ASP 51 N -4.17 5.08 0.09 4.50 1.11 -1.26 -4.95 116.67 117.06 1jgn s ASP 51 Ca 0.52 1.90 0.13 0.00 0.18 0.00 0.00 52.55 55.28 1jgn s ASP 51 Cb -0.11 -2.54 -0.14 0.00 1.07 0.00 0.00 42.92 41.20 1jgn s ASP 51 CO 0.49 -1.65 1.00 0.78 1.18 0.00 0.00 175.17 176.98 1jgn h ASN 52 N -0.26 0.00 0.33 0.27 4.21 -1.98 -2.64 115.58 115.52 1jgn h ASN 52 Ca -0.46 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 56.87 1jgn h ASN 52 Cb 1.24 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.43 1jgn h ASN 52 CO 0.54 0.79 -0.75 -1.28 -1.29 0.00 0.00 177.43 175.44 1jgn h SER 53 N 0.00 0.41 0.89 5.81 0.87 -2.01 -3.11 113.55 116.41 1jgn h SER 53 Ca -0.13 -0.28 -0.16 0.00 -1.23 0.00 0.00 61.79 59.99 1jgn h SER 53 Cb 1.72 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 63.53 1jgn h SER 53 CO 0.08 1.02 -0.76 -0.33 -0.53 0.00 0.00 176.83 176.31 1jgn h GLU 54 N 0.23 0.00 -0.44 2.24 5.08 -1.96 -3.18 114.58 116.54 1jgn h GLU 54 Ca -0.03 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1jgn h GLU 54 Cb 1.32 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 1jgn h GLU 54 CO 0.12 0.76 0.26 1.37 -1.00 0.00 0.00 179.01 180.52 1jgn h LEU 55 N 0.00 0.43 -0.56 1.33 8.10 -1.40 -1.77 115.31 121.44 1jgn h LEU 55 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 1jgn h LEU 55 Cb 1.41 -0.09 -0.03 0.00 -0.44 0.00 0.00 40.66 41.51 1jgn h LEU 55 CO 0.10 0.31 0.36 0.25 -4.11 0.00 0.00 178.44 175.35 1jgn h LEU 56 N 0.53 0.65 -0.83 0.17 7.12 -1.56 -0.39 115.31 121.00 1jgn h LEU 56 Ca 0.18 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 58.16 1jgn h LEU 56 Cb 0.01 -0.16 0.00 0.00 -0.53 0.00 0.00 40.66 39.97 1jgn h LEU 56 CO -0.08 0.49 0.00 1.57 -0.13 0.00 0.00 178.44 180.29 1jgn n HIS 57 N -4.68 0.60 0.03 1.25 -0.00 -0.90 -2.63 115.22 108.89 1jgn n HIS 57 Ca 0.04 0.27 -0.07 0.00 0.46 0.00 0.00 57.72 58.42 1jgn n HIS 57 Cb 0.03 -0.94 -0.05 0.00 -0.12 0.00 0.00 29.99 28.91 1jgn n HIS 57 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 1jgn h MET 58 N 0.00 -0.17 0.00 1.57 2.86 -0.21 -1.08 114.93 117.91 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 0.17 0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1jgn h MET 58 CO 0.00 0.14 0.00 1.47 1.06 0.00 0.00 176.91 179.58 1jgn n LEU 59 N -4.87 0.00 0.00 1.22 -0.00 -1.16 -0.96 117.00 111.23 1jgn n LEU 59 Ca -0.05 0.43 0.11 0.00 -0.00 0.00 0.00 56.01 56.50 1jgn n LEU 59 Cb 0.19 -0.43 -0.12 0.00 -0.00 0.00 0.00 43.42 43.06 1jgn n LEU 59 CO 0.16 -0.28 -0.41 1.21 -0.00 0.00 0.00 177.39 178.07 1jgn n GLU 60 N -1.43 0.42 -3.87 1.47 4.07 -1.08 -4.71 120.64 115.50 1jgn n GLU 60 Ca 0.03 -0.10 -0.29 0.00 -0.06 0.00 0.00 57.16 56.74 1jgn n GLU 60 Cb 0.11 -1.54 -0.13 0.00 -0.06 0.00 0.00 31.44 29.82 1jgn n GLU 60 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1jgn s SER 61 N -4.05 4.18 0.47 4.31 0.15 -0.14 -4.95 113.70 113.68 1jgn s SER 61 Ca -0.01 -3.08 0.12 0.00 0.70 0.00 0.00 55.95 53.68 1jgn s SER 61 Cb 0.14 -1.47 1.10 0.00 -1.71 0.00 0.00 66.02 64.08 1jgn s SER 61 CO 0.88 -0.21 2.11 -0.65 1.20 0.00 0.00 173.24 176.56 1jgn h PRO 62 N 6.33 0.21 0.00 5.44 0.11 -1.85 0.23 132.00 142.47 1jgn h PRO 62 Ca -0.01 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 1jgn h PRO 62 Cb 0.87 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1jgn h PRO 62 CO 0.64 0.15 -0.00 0.93 -0.21 0.00 0.00 178.00 179.51 1jgn h GLU 63 N 0.21 -0.00 0.18 1.05 4.39 -1.92 -3.01 114.58 115.48 1jgn h GLU 63 Ca 0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.75 1jgn h GLU 63 Cb -0.01 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1jgn h GLU 63 CO -0.01 0.86 -0.09 0.77 -1.16 0.00 0.00 179.01 179.38 1jgn h SER 64 N -0.90 -0.20 0.61 1.42 0.02 -1.89 -2.98 113.55 109.62 1jgn h SER 64 Ca -0.00 -0.31 -0.03 0.00 -0.84 0.00 0.00 61.79 60.62 1jgn h SER 64 Cb 0.87 0.05 -0.00 0.00 0.14 0.00 0.00 62.40 63.46 1jgn h SER 64 CO 0.00 0.25 -0.37 0.25 -1.14 0.00 0.00 176.83 175.81 1jgn h LEU 65 N -0.71 -0.94 -1.44 5.07 7.12 -0.73 0.18 115.31 123.86 1jgn h LEU 65 Ca -0.02 0.05 0.25 0.00 0.13 0.00 0.00 57.88 58.29 1jgn h LEU 65 Cb 0.50 0.27 -0.08 0.00 -0.53 0.00 0.00 40.66 40.82 1jgn h LEU 65 CO 0.04 -0.57 0.66 -0.09 -0.13 0.00 0.00 178.44 178.34 1jgn h ARG 66 N -0.92 0.37 -0.25 1.25 2.43 -1.67 0.82 114.38 116.42 1jgn h ARG 66 Ca -0.08 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 58.93 1jgn h ARG 66 Cb 0.73 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1jgn h ARG 66 CO 0.08 0.25 -0.41 1.03 -1.51 0.00 0.00 179.97 179.41 1jgn h SER 67 N 0.39 0.62 0.27 -3.80 0.87 -1.32 0.13 113.55 110.70 1jgn h SER 67 Ca 0.55 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 1jgn h SER 67 Cb 1.43 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1jgn h SER 67 CO -0.24 0.96 -0.13 0.50 -0.53 0.00 0.00 176.83 177.39 1jgn h LYS 68 N 0.48 -0.35 0.00 2.24 3.11 0.26 -2.80 116.57 119.52 1jgn h LYS 68 Ca 0.04 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.90 1jgn h LYS 68 Cb 0.92 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 32.23 1jgn h LYS 68 CO 0.08 -0.04 0.00 0.28 -2.81 0.00 0.00 179.45 176.96 1jgn h VAL 69 N -0.68 0.00 -0.32 2.00 2.07 -0.83 -2.57 116.25 115.92 1jgn h VAL 69 Ca -0.04 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.17 1jgn h VAL 69 Cb 0.47 1.31 -0.05 0.00 -1.52 0.00 0.00 31.29 31.51 1jgn h VAL 69 CO 0.06 0.00 0.03 -0.78 0.02 0.00 0.00 177.57 176.90 1jgn h ASP 70 N 0.00 -0.05 0.62 0.57 3.58 -0.47 0.25 116.42 120.92 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 0.38 0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1jgn h ASP 70 CO 0.00 0.01 -0.29 -0.08 -2.88 0.00 0.00 179.24 176.00 1jgn h GLU 71 N 0.13 0.00 -0.20 0.28 4.57 -1.41 -3.02 114.58 114.93 1jgn h GLU 71 Ca 0.15 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.33 1jgn h GLU 71 Cb 0.18 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.76 1jgn h GLU 71 CO -0.22 0.29 0.12 0.00 -1.18 0.00 0.00 179.01 178.01 1jgn h ALA 72 N 1.71 0.25 0.00 2.92 0.00 -0.37 -0.14 119.26 123.64 1jgn h ALA 72 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jgn h ALA 72 Cb 0.67 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1jgn h ALA 72 CO 0.04 -0.24 -0.01 -0.39 0.00 0.00 0.00 179.25 178.65 1jgn h VAL 73 N 0.24 0.84 -0.01 0.00 -1.51 -0.90 0.09 116.25 115.00 1jgn h VAL 73 Ca 0.07 -0.03 -0.12 0.00 -1.23 0.00 0.00 66.70 65.39 1jgn h VAL 73 Cb 0.02 1.02 -0.02 0.00 -2.13 0.00 0.00 31.29 30.18 1jgn h VAL 73 CO -0.01 0.01 -0.57 0.00 -1.23 0.00 0.00 177.57 175.76 1jgn h ALA 74 N 1.99 1.04 -0.27 5.19 0.00 -1.06 -2.22 119.26 123.94 1jgn h ALA 74 Ca -0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 1jgn h ALA 74 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1jgn h ALA 74 CO 0.00 0.71 -0.37 -0.39 0.00 0.00 0.00 179.25 179.21 1jgn h VAL 75 N 0.02 1.29 0.27 0.00 -1.51 0.69 -2.01 116.25 115.00 1jgn h VAL 75 Ca -0.01 -1.52 -0.01 0.00 -1.23 0.00 0.00 66.70 63.94 1jgn h VAL 75 Cb 1.02 1.49 0.00 0.00 -2.13 0.00 0.00 31.29 31.67 1jgn h VAL 75 CO 0.08 0.48 -0.13 0.25 -1.23 0.00 0.00 177.57 177.02 1jgn h LEU 76 N 0.50 -0.30 -1.34 4.19 5.85 -1.35 0.24 115.31 123.10 1jgn h LEU 76 Ca 0.05 -0.21 0.18 0.00 0.84 0.00 0.00 57.88 58.75 1jgn h LEU 76 Cb 0.87 0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.90 1jgn h LEU 76 CO 0.07 0.18 0.60 0.06 -0.34 0.00 0.00 178.44 179.01 1jgn h GLN 77 N -0.94 0.55 0.00 1.25 -0.00 -1.47 0.46 115.11 114.96 1jgn h GLN 77 Ca -0.04 -0.03 -0.09 0.00 -0.00 0.00 0.00 58.65 58.49 1jgn h GLN 77 Cb 0.49 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.48 27.83 1jgn h GLN 77 CO 0.06 0.36 -0.51 0.00 -0.00 0.00 0.00 178.83 178.75 1jgn h ALA 78 N 1.61 0.71 0.43 0.06 0.00 -1.37 -2.98 119.26 117.71 1jgn h ALA 78 Ca 0.49 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1jgn h ALA 78 Cb 0.99 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1jgn h ALA 78 CO -0.23 0.56 -0.20 1.25 0.00 0.00 0.00 179.25 180.63 1jgn h HIS 79 N 0.00 -0.53 0.00 0.00 -0.00 0.34 -2.82 115.15 112.14 1jgn h HIS 79 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.34 1jgn h HIS 79 Cb 1.35 0.18 0.00 0.00 -0.00 0.00 0.00 27.41 28.93 1jgn h HIS 79 CO 0.00 -0.22 0.00 1.04 -0.00 0.00 0.00 177.93 178.75 1jgn n GLN 80 N -5.24 0.94 0.00 5.26 6.02 -0.58 -3.22 117.38 120.56 1jgn n GLN 80 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1jgn n GLN 80 Cb 0.29 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.17 1jgn n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jgn n ALA 81 N -0.88 -0.19 0.65 -1.58 0.00 -1.07 -2.60 120.51 114.85 1jgn n ALA 81 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.74 1jgn n ALA 81 Cb 0.08 0.00 0.45 0.00 0.00 0.00 0.00 19.45 19.98 1jgn n ALA 81 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jgn n LYS 82 N -1.76 0.20 0.05 0.00 4.76 -1.24 -3.39 118.16 116.77 1jgn n LYS 82 Ca 0.00 0.21 -0.20 0.00 -2.87 0.00 0.00 58.31 55.45 1jgn n LYS 82 Cb 0.00 -1.76 -0.11 0.00 -1.84 0.00 0.00 35.03 31.33 1jgn n LYS 82 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1jgn h GLU 83 N 0.00 0.70 -0.50 1.97 4.22 -1.68 -2.49 114.58 116.80 1jgn h GLU 83 Ca 0.00 -0.77 -0.05 0.00 0.08 0.00 0.00 59.36 58.62 1jgn h GLU 83 Cb 0.63 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 30.07 1jgn h GLU 83 CO 0.00 1.34 0.10 0.00 -2.18 0.00 0.00 179.01 178.27 1jgn h ALA 84 N 0.39 1.25 -0.00 2.92 0.00 -1.51 -1.38 119.26 120.92 1jgn h ALA 84 Ca -0.14 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1jgn h ALA 84 Cb 1.72 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1jgn h ALA 84 CO 0.21 0.52 -0.14 0.00 0.00 0.00 0.00 179.25 179.84 1jgn n ALA 85 N -2.47 2.77 -0.07 0.00 0.00 -1.23 -2.51 120.51 117.00 1jgn n ALA 85 Ca 0.03 -0.23 -0.06 0.00 0.00 0.00 0.00 53.44 53.18 1jgn n ALA 85 Cb 0.23 -1.34 -0.03 0.00 0.00 0.00 0.00 19.45 18.31 1jgn n ALA 85 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1jgn h GLN 86 N 0.32 0.00 0.11 0.00 4.20 -0.80 -3.40 115.11 115.54 1jgn h GLN 86 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1jgn h GLN 86 Cb 0.40 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1jgn h GLN 86 CO 0.00 0.16 -0.05 -0.22 -0.67 0.00 0.00 178.83 178.04 1jgn h LYS 87 N -1.00 -0.15 -5.07 1.46 3.11 -1.51 -3.40 116.57 110.01 1jgn h LYS 87 Ca -0.04 0.01 -0.70 0.00 -2.81 0.00 0.00 60.65 57.11 1jgn h LYS 87 Cb 0.51 0.03 -0.17 0.00 -1.00 0.00 0.00 32.23 31.61 1jgn h LYS 87 CO -0.03 -0.10 1.09 0.00 -2.81 0.00 0.00 179.45 177.61 1jgn s ALA 88 N -3.00 3.50 -1.41 5.00 0.00 -1.04 -4.91 121.76 119.90 1jgn s ALA 88 Ca -0.02 -2.91 -0.09 0.00 0.00 0.00 0.00 51.96 48.94 1jgn s ALA 88 Cb 0.00 -4.13 0.07 0.00 0.00 0.00 0.00 23.12 19.05 1jgn s ALA 88 CO 0.07 -2.98 2.39 0.28 0.00 0.00 0.00 175.76 175.51 1jgn n VAL 89 N 5.39 4.53 -2.76 0.00 0.31 -1.26 -4.33 118.33 120.21 1jgn n VAL 89 Ca 0.29 -3.71 -0.40 0.00 -0.01 0.00 0.00 64.34 60.51 1jgn n VAL 89 Cb 0.47 -2.36 -0.06 0.00 -0.91 0.00 0.00 33.84 30.99 1jgn n VAL 89 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1jgn s ASN 90 N 1.36 7.58 -0.05 4.52 0.01 -1.26 -5.00 114.94 122.10 1jgn s ASN 90 Ca 0.53 1.87 -0.04 0.00 -0.71 0.00 0.00 52.86 54.52 1jgn s ASN 90 Cb 0.16 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.21 1jgn s ASN 90 CO -0.06 0.10 -0.08 -1.54 -1.51 0.00 0.00 177.10 174.01 1jgn n SER 91 N 1.89 0.59 -4.79 -1.22 3.41 -1.26 -4.96 113.62 107.29 1jgn n SER 91 Ca -0.01 0.27 -0.38 0.00 -0.26 0.00 0.00 58.87 58.49 1jgn n SER 91 Cb 0.48 -0.60 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 1jgn n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jgn s ALA 92 N -2.94 3.37 0.39 7.33 0.00 -1.26 -5.08 121.76 123.58 1jgn s ALA 92 Ca -0.06 0.36 0.08 0.00 0.00 0.00 0.00 51.96 52.33 1jgn s ALA 92 Cb 0.01 -2.99 -0.01 0.00 0.00 0.00 0.00 23.12 20.13 1jgn s ALA 92 CO 0.10 0.27 0.43 0.95 0.00 0.00 0.00 175.76 177.51 1jgn s THR 93 N -1.38 3.14 -0.96 0.00 -4.23 -1.26 -5.06 115.64 105.88 1jgn s THR 93 Ca 0.42 -1.20 -0.12 0.00 -1.18 0.00 0.00 61.69 59.61 1jgn s THR 93 Cb -0.20 -3.10 0.24 0.00 1.34 0.00 0.00 72.50 70.79 1jgn s THR 93 CO 0.25 -0.06 0.94 -0.83 -0.54 0.00 0.00 174.62 174.37 1jgn s GLY 94 N -4.18 2.91 -0.20 3.99 0.00 -1.26 -5.03 107.32 103.56 1jgn s GLY 94 Ca 0.48 -3.56 -0.18 0.00 0.00 0.00 0.00 44.72 41.47 1jgn s GLY 94 CO 0.30 1.31 0.48 0.54 0.00 0.00 0.00 173.10 175.73 1jgn s VAL 95 N -0.44 5.13 -0.05 1.40 0.11 -1.26 -5.00 120.40 120.30 1jgn s VAL 95 Ca 0.24 0.88 -0.03 0.00 -2.93 0.00 0.00 61.98 60.14 1jgn s VAL 95 Cb -0.10 -3.81 -0.01 0.00 -1.53 0.00 0.00 36.38 30.93 1jgn s VAL 95 CO -0.08 0.20 -0.06 1.55 -3.33 0.00 0.00 175.10 173.37 1jgn h PRO 96 N 7.42 0.00 -7.38 1.54 0.13 -2.09 -3.48 132.00 128.14 1jgn h PRO 96 Ca -0.35 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.33 1jgn h PRO 96 Cb 1.16 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.39 1jgn h PRO 96 CO 0.73 0.00 0.24 0.95 -0.23 0.00 0.00 178.00 179.69 1jgn s THR 97 N -1.46 2.17 0.00 1.56 -4.23 -1.26 -5.34 115.64 107.08 1jgn s THR 97 Ca -0.05 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.16 1jgn s THR 97 Cb 0.01 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.97 1jgn s THR 97 CO 0.08 0.00 0.40 0.55 -0.54 0.00 0.00 174.62 175.11