#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jgn n PRO 2 N 0.00 -1.18 -3.03 1.61 -0.04 -1.26 -4.96 135.00 126.14 1jgn n PRO 2 Ca 0.00 -1.13 -0.44 0.00 -0.04 0.00 0.00 63.50 61.89 1jgn n PRO 2 Cb 0.00 -0.83 -0.00 0.00 -0.04 0.00 0.00 33.50 32.63 1jgn n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jgn s LEU 3 N 0.00 5.33 -0.68 1.53 1.02 -1.26 -4.96 118.68 119.66 1jgn s LEU 3 Ca 0.42 -3.02 -0.14 0.00 0.02 0.00 0.00 54.13 51.42 1jgn s LEU 3 Cb -0.02 -2.36 0.18 0.00 0.02 0.00 0.00 46.19 44.00 1jgn s LEU 3 CO 0.31 -0.68 0.62 -0.83 0.02 0.00 0.00 176.35 175.78 1jgn s GLY 4 N 2.60 2.40 -0.12 -3.19 0.00 -1.26 -5.05 107.32 102.71 1jgn s GLY 4 Ca 0.39 -2.98 -0.14 0.00 0.00 0.00 0.00 44.72 41.99 1jgn s GLY 4 CO -0.02 1.22 0.34 -0.45 0.00 0.00 0.00 173.10 174.18 1jgn s SER 5 N 2.61 6.55 0.00 1.64 0.15 -1.26 -5.09 113.70 118.30 1jgn s SER 5 Ca 0.12 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.42 1jgn s SER 5 Cb -0.19 -2.21 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 1jgn s SER 5 CO -0.04 0.15 0.00 -0.81 1.20 0.00 0.00 173.24 173.74 1jgn n PRO 6 N 3.11 1.76 -1.36 5.44 -0.04 -1.26 -5.07 135.00 137.58 1jgn n PRO 6 Ca -0.12 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.25 1jgn n PRO 6 Cb 0.52 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.03 1jgn n PRO 6 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1jgn n LEU 7 N 0.00 0.00 0.00 1.53 4.32 -1.26 -5.03 117.00 116.57 1jgn n LEU 7 Ca 0.00 -0.79 -0.10 0.00 -0.02 0.00 0.00 56.01 55.10 1jgn n LEU 7 Cb 0.00 -0.24 -0.14 0.00 -1.62 0.00 0.00 43.42 41.42 1jgn n LEU 7 CO 0.00 -0.68 -0.42 0.00 -1.22 0.00 0.00 177.39 175.08 1jgn h THR 8 N -0.45 1.00 -0.58 -5.08 1.03 -1.97 -3.09 112.91 103.77 1jgn h THR 8 Ca -0.12 -2.81 0.02 0.00 -0.01 0.00 0.00 66.41 63.49 1jgn h THR 8 Cb 0.46 2.53 -0.03 0.00 -1.07 0.00 0.00 68.15 70.03 1jgn h THR 8 CO 0.13 0.63 0.38 0.00 -0.01 0.00 0.00 175.52 176.65 1jgn h ALA 9 N 0.88 1.65 -0.19 0.00 0.00 -1.94 0.17 119.26 119.83 1jgn h ALA 9 Ca -0.25 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.47 1jgn h ALA 9 Cb 1.97 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 1jgn h ALA 9 CO 0.10 0.30 -0.54 1.03 0.00 0.00 0.00 179.25 180.14 1jgn h SER 10 N 0.72 0.61 -0.21 0.00 0.87 -1.97 -2.77 113.55 110.81 1jgn h SER 10 Ca 0.22 -0.32 -0.05 0.00 -1.23 0.00 0.00 61.79 60.41 1jgn h SER 10 Cb 0.01 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 1jgn h SER 10 CO -0.06 1.03 -0.02 0.24 -0.53 0.00 0.00 176.83 177.49 1jgn h MET 11 N 0.43 0.51 -0.19 2.24 2.86 -0.91 -1.67 114.93 118.20 1jgn h MET 11 Ca 0.01 -0.12 0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1jgn h MET 11 Cb 1.08 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.60 1jgn h MET 11 CO 0.10 0.56 -0.20 -0.07 1.06 0.00 0.00 176.91 178.36 1jgn h LEU 12 N 0.49 -0.65 -1.61 1.22 4.07 -0.47 0.68 115.31 119.04 1jgn h LEU 12 Ca 0.10 0.12 -0.04 0.00 0.08 0.00 0.00 57.88 58.14 1jgn h LEU 12 Cb 0.36 0.31 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 1jgn h LEU 12 CO 0.01 -0.25 -0.21 0.00 -1.08 0.00 0.00 178.44 176.91 1jgn h ALA 13 N 0.83 1.35 -0.58 1.53 0.00 -1.44 -2.48 119.26 118.46 1jgn h ALA 13 Ca 0.12 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1jgn h ALA 13 Cb 0.41 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1jgn h ALA 13 CO -0.33 0.26 0.07 -1.13 0.00 0.00 0.00 179.25 178.13 1jgn n SER 14 N -3.85 5.29 -2.91 0.00 3.41 0.27 -4.51 113.62 111.32 1jgn n SER 14 Ca -0.02 -3.03 -0.18 0.00 -0.26 0.00 0.00 58.87 55.38 1jgn n SER 14 Cb 0.30 -0.69 -0.01 0.00 -0.26 0.00 0.00 64.21 63.56 1jgn n SER 14 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jgn n ALA 15 N 0.28 3.25 -0.02 7.33 0.00 0.21 -4.95 120.51 126.61 1jgn n ALA 15 Ca 0.31 -3.66 -0.10 0.00 0.00 0.00 0.00 53.44 49.99 1jgn n ALA 15 Cb 1.22 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 19.78 1jgn n ALA 15 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1jgn h PRO 16 N 2.95 0.04 0.00 0.00 0.11 -1.79 -3.39 132.00 129.91 1jgn h PRO 16 Ca 0.07 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 1jgn h PRO 16 Cb 0.94 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1jgn h PRO 16 CO 0.60 0.03 0.00 -0.35 -0.21 0.00 0.00 178.00 178.06 1jgn n PRO 17 N -5.13 1.39 -0.64 1.05 -0.04 -1.26 -4.76 135.00 125.61 1jgn n PRO 17 Ca -0.04 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.36 1jgn n PRO 17 Cb 0.08 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.45 1jgn n PRO 17 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1jgn n GLN 18 N 0.00 1.28 -0.21 0.54 6.02 -1.26 -4.33 117.38 119.42 1jgn n GLN 18 Ca 0.00 -0.54 0.03 0.00 -0.01 0.00 0.00 57.00 56.47 1jgn n GLN 18 Cb 0.00 -1.68 0.11 0.00 1.02 0.00 0.00 30.24 29.69 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 2.38 1.91 0.02 -1.09 4.07 -1.26 -4.46 120.64 122.20 1jgn n GLU 19 Ca 0.23 -0.90 -0.03 0.00 -0.06 0.00 0.00 57.16 56.41 1jgn n GLU 19 Cb 0.59 -1.50 -0.02 0.00 -0.06 0.00 0.00 31.44 30.46 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 1.26 -0.13 0.00 5.31 3.07 -1.81 -1.28 115.11 121.53 1jgn h GLN 20 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.75 1jgn h GLN 20 Cb 0.67 0.03 0.00 0.00 0.08 0.00 0.00 27.48 28.26 1jgn h GLN 20 CO 0.09 -0.09 0.21 1.57 0.09 0.00 0.00 178.83 180.70 1jgn h LYS 21 N -0.14 0.00 0.00 0.06 5.09 -1.73 0.73 116.57 120.59 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 0.13 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.46 1jgn h LYS 21 CO -0.05 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 178.25 1jgn n GLN 22 N -2.71 0.00 0.00 0.07 -0.06 -0.55 -4.26 117.38 109.87 1jgn n GLN 22 Ca -0.02 0.01 0.00 0.00 -2.00 0.00 0.00 57.00 54.99 1jgn n GLN 22 Cb 0.26 -0.67 0.00 0.00 -4.06 0.00 0.00 30.24 25.77 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 -0.53 0.00 0.00 3.69 0.00 -0.78 -4.19 117.12 115.32 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 -0.10 0.05 0.00 0.00 0.00 0.00 33.22 33.17 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 -4.78 117.00 114.16 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 -0.88 3.46 0.03 1.47 0.00 0.24 -1.02 105.19 108.49 1jgn n GLY 25 Ca 0.01 0.07 -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 -0.06 0.00 1.61 3.07 -1.85 -2.89 114.58 114.45 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 -0.04 0.00 -2.13 -1.40 0.00 0.00 179.01 175.44 1jgn n ARG 27 N -2.70 0.00 0.00 2.33 3.00 -0.70 -4.89 116.66 113.70 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 0.03 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.49 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 -0.24 6.15 7.99 -0.19 -3.40 117.00 127.31 1jgn n LEU 28 Ca 0.00 0.48 0.04 0.00 -0.01 0.00 0.00 56.01 56.52 1jgn n LEU 28 Cb 0.50 0.00 0.09 0.00 -0.11 0.00 0.00 43.42 43.90 1jgn n LEU 28 CO 0.00 0.00 0.44 0.33 -1.51 0.00 0.00 177.39 176.65 1jgn n PHE 29 N -0.53 0.23 -0.29 -1.77 -0.00 -1.24 -0.44 117.46 113.42 1jgn n PHE 29 Ca 0.00 0.82 -0.03 0.00 -0.00 0.00 0.00 57.45 58.24 1jgn n PHE 29 Cb 0.00 -0.88 0.09 0.00 -0.00 0.00 0.00 39.48 38.68 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 1.00 -0.13 -7.13 0.13 -1.84 1.16 132.00 125.19 1jgn h PRO 30 Ca 0.32 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 65.31 1jgn h PRO 30 Cb 0.49 -0.23 -0.00 0.00 0.13 0.00 0.00 31.00 31.39 1jgn h PRO 30 CO -0.69 0.66 -0.22 -0.07 -0.23 0.00 0.00 178.00 177.45 1jgn h LEU 31 N 1.03 0.42 -0.19 1.56 3.38 -0.77 -2.61 115.31 118.13 1jgn h LEU 31 Ca 0.31 -0.54 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1jgn h LEU 31 Cb -0.04 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.59 1jgn h LEU 31 CO -0.10 0.88 0.00 -0.38 0.09 0.00 0.00 178.44 178.94 1jgn n ILE 32 N -4.48 0.62 -0.28 1.22 5.41 -0.86 -2.39 119.36 118.59 1jgn n ILE 32 Ca -0.07 0.06 -0.04 0.00 1.00 0.00 0.00 62.75 63.71 1jgn n ILE 32 Cb 0.42 -0.83 0.12 0.00 -0.71 0.00 0.00 39.64 38.64 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 1.16 -0.08 0.38 5.75 0.18 1.40 115.11 123.89 1jgn h GLN 33 Ca 0.00 -0.16 -0.09 0.00 -0.15 0.00 0.00 58.65 58.25 1jgn h GLN 33 Cb 0.45 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.78 1jgn h GLN 33 CO 0.00 0.88 -0.37 0.00 -2.65 0.00 0.00 178.83 176.70 1jgn h ALA 34 N 1.29 1.23 -0.90 3.38 0.00 -1.44 -2.16 119.26 120.67 1jgn h ALA 34 Ca 0.28 -0.37 -0.41 0.00 0.00 0.00 0.00 54.91 54.41 1jgn h ALA 34 Cb 0.10 -0.08 -0.25 0.00 0.00 0.00 0.00 17.79 17.56 1jgn h ALA 34 CO -0.04 0.53 0.51 -1.33 0.00 0.00 0.00 179.25 178.92 1jgn n MET 35 N -4.07 2.72 0.12 0.00 2.81 0.28 -4.62 117.12 114.36 1jgn n MET 35 Ca -0.01 -3.05 0.03 0.00 -1.81 0.00 0.00 57.70 52.86 1jgn n MET 35 Cb 0.43 -2.18 0.40 0.00 -0.71 0.00 0.00 33.22 31.16 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 1.55 0.24 -1.72 2.03 -0.00 0.25 -3.08 115.15 114.40 1jgn h HIS 36 Ca 0.51 -0.02 0.51 0.00 -0.00 0.00 0.00 60.37 61.36 1jgn h HIS 36 Cb 2.67 -0.07 -0.08 0.00 -0.00 0.00 0.00 27.41 29.94 1jgn h HIS 36 CO 1.48 0.35 1.23 -2.30 -0.00 0.00 0.00 177.93 178.70 1jgn n PRO 37 N -4.29 -0.00 0.00 5.12 -0.02 -1.26 -2.29 135.00 132.26 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 0.26 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 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 -3.77 0.00 -2.68 3.45 -1.04 -1.16 -5.00 114.28 104.07 1jgn n THR 38 Ca 0.39 0.05 -0.05 0.00 -2.04 0.00 0.00 64.05 62.40 1jgn n THR 38 Cb 1.77 -0.14 0.09 0.00 -1.82 0.00 0.00 70.33 70.23 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 -0.04 -1.56 -0.43 -4.42 -0.00 -0.97 -5.01 117.00 104.56 1jgn n LEU 39 Ca 0.00 -2.45 0.35 0.00 -0.00 0.00 0.00 56.01 53.91 1jgn n LEU 39 Cb 0.00 0.91 0.64 0.00 -0.00 0.00 0.00 43.42 44.97 1jgn n LEU 39 CO 0.00 1.70 1.25 0.00 -0.00 0.00 0.00 177.39 180.34 1jgn h ALA 40 N 2.28 2.73 -0.28 1.96 0.00 -1.77 -1.93 119.26 122.25 1jgn h ALA 40 Ca -0.28 0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.77 1jgn h ALA 40 Cb 1.19 0.17 -0.08 0.00 0.00 0.00 0.00 17.79 19.07 1jgn h ALA 40 CO 0.01 -1.31 -0.45 0.78 0.00 0.00 0.00 179.25 178.29 1jgn h GLY 41 N 0.13 -0.69 1.32 0.00 0.00 -1.91 -1.70 103.07 100.22 1jgn h GLY 41 Ca 0.78 0.56 -0.31 0.00 0.00 0.00 0.00 47.33 48.36 1jgn h GLY 41 CO -0.35 -0.19 -1.34 1.70 0.00 0.00 0.00 176.54 176.35 1jgn h LYS 42 N -0.41 0.53 -0.44 4.80 1.63 -1.80 -3.36 116.57 117.52 1jgn h LYS 42 Ca 0.10 -0.81 0.08 0.00 -0.85 0.00 0.00 60.65 59.17 1jgn h LYS 42 Cb 0.61 0.29 -0.07 0.00 -0.60 0.00 0.00 32.23 32.46 1jgn h LYS 42 CO -0.50 1.38 0.01 0.82 -3.45 0.00 0.00 179.45 177.71 1jgn h ILE 43 N 0.19 0.68 -0.68 2.00 2.04 -1.30 -0.60 117.51 119.83 1jgn h ILE 43 Ca -0.21 -0.04 0.15 0.00 1.00 0.00 0.00 64.86 65.76 1jgn h ILE 43 Cb 2.03 0.54 -0.12 0.00 -0.74 0.00 0.00 36.82 38.53 1jgn h ILE 43 CO 0.25 0.02 -0.01 0.00 0.00 0.00 0.00 178.15 178.42 1jgn h THR 44 N 0.12 0.41 0.11 -0.27 1.03 -1.45 -0.50 112.91 112.36 1jgn h THR 44 Ca 0.22 -0.04 0.01 0.00 -0.01 0.00 0.00 66.41 66.59 1jgn h THR 44 Cb 0.31 0.30 -0.03 0.00 -1.07 0.00 0.00 68.15 67.66 1jgn h THR 44 CO -0.35 0.02 -0.19 1.23 -0.01 0.00 0.00 175.52 176.22 1jgn h GLY 45 N 0.11 -0.35 0.54 2.99 0.00 -1.28 0.62 103.07 105.70 1jgn h GLY 45 Ca 0.36 0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.92 1jgn h GLY 45 CO -0.60 -0.18 -0.35 -0.33 0.00 0.00 0.00 176.54 175.08 1jgn h MET 46 N -0.37 -0.65 -0.01 4.80 2.86 -0.55 -1.22 114.93 119.79 1jgn h MET 46 Ca 0.02 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 1jgn h MET 46 Cb 0.39 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1jgn h MET 46 CO -0.10 -0.43 0.00 1.28 1.06 0.00 0.00 176.91 178.71 1jgn n LEU 47 N -5.45 0.05 0.30 1.22 7.99 -0.31 -3.66 117.00 117.14 1jgn n LEU 47 Ca -0.09 -0.02 0.19 0.00 -0.01 0.00 0.00 56.01 56.07 1jgn n LEU 47 Cb 0.35 -0.01 0.89 0.00 -0.11 0.00 0.00 43.42 44.55 1jgn n LEU 47 CO 0.26 0.01 1.06 0.25 -1.51 0.00 0.00 177.39 177.46 1jgn h LEU 48 N 0.06 0.00 -1.03 2.23 7.12 0.15 -2.29 115.31 121.55 1jgn h LEU 48 Ca 0.00 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1jgn h LEU 48 Cb 0.01 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.14 1jgn h LEU 48 CO 0.00 0.02 0.00 -0.62 -0.13 0.00 0.00 178.44 177.71 1jgn n GLU 49 N -3.19 0.79 -2.11 1.25 1.02 -1.24 -4.75 120.64 112.41 1jgn n GLU 49 Ca -0.01 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.86 1jgn n GLU 49 Cb 0.21 -1.39 0.07 0.00 -0.02 0.00 0.00 31.44 30.31 1jgn n GLU 49 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 1jgn s ILE 50 N -0.97 2.42 0.66 -3.67 2.07 -0.87 -5.05 121.20 115.80 1jgn s ILE 50 Ca 0.00 -0.11 -0.14 0.00 -1.41 0.00 0.00 60.65 58.99 1jgn s ILE 50 Cb 0.00 -3.08 0.00 0.00 0.13 0.00 0.00 42.46 39.51 1jgn s ILE 50 CO 0.00 -0.09 1.09 -1.81 -1.91 0.00 0.00 174.94 172.22 1jgn s ASP 51 N -4.50 5.18 0.03 4.50 1.11 -1.26 -4.97 116.67 116.76 1jgn s ASP 51 Ca 0.60 1.91 0.13 0.00 0.18 0.00 0.00 52.55 55.37 1jgn s ASP 51 Cb -0.11 -2.54 -0.18 0.00 1.07 0.00 0.00 42.92 41.16 1jgn s ASP 51 CO 0.46 -1.58 0.85 0.78 1.18 0.00 0.00 175.17 176.87 1jgn h ASN 52 N -0.09 0.00 0.64 0.27 4.21 -1.96 -2.82 115.58 115.83 1jgn h ASN 52 Ca -0.46 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 56.90 1jgn h ASN 52 Cb 1.24 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.42 1jgn h ASN 52 CO 0.55 0.85 -0.71 -1.28 -1.29 0.00 0.00 177.43 175.54 1jgn h SER 53 N 0.00 0.06 0.91 5.81 0.87 -2.00 -3.02 113.55 116.19 1jgn h SER 53 Ca -0.19 -0.04 -0.17 0.00 -1.23 0.00 0.00 61.79 60.15 1jgn h SER 53 Cb 1.81 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 63.73 1jgn h SER 53 CO 0.08 0.75 -0.81 -0.33 -0.53 0.00 0.00 176.83 175.98 1jgn h GLU 54 N 0.03 0.00 -0.43 2.24 5.08 -1.96 -3.19 114.58 116.36 1jgn h GLU 54 Ca -0.01 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.37 1jgn h GLU 54 Cb 1.25 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.47 1jgn h GLU 54 CO 0.10 0.81 0.25 1.37 -1.00 0.00 0.00 179.01 180.54 1jgn h LEU 55 N 0.00 0.40 -0.25 1.33 8.10 -1.36 0.11 115.31 123.64 1jgn h LEU 55 Ca -0.01 0.01 -0.00 0.00 0.11 0.00 0.00 57.88 57.99 1jgn h LEU 55 Cb 1.49 -0.08 -0.01 0.00 -0.44 0.00 0.00 40.66 41.62 1jgn h LEU 55 CO 0.11 0.29 0.15 0.25 -4.11 0.00 0.00 178.44 175.13 1jgn h LEU 56 N 0.50 0.30 -2.14 0.17 5.85 -1.59 -1.73 115.31 116.67 1jgn h LEU 56 Ca 0.17 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1jgn h LEU 56 Cb 0.02 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.98 1jgn h LEU 56 CO -0.09 0.26 -0.00 0.45 -0.34 0.00 0.00 178.44 178.72 1jgn h HIS 57 N 0.32 0.00 0.24 1.25 3.86 -1.42 -2.94 115.15 116.46 1jgn h HIS 57 Ca 0.09 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1jgn h HIS 57 Cb 0.01 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1jgn h HIS 57 CO -0.05 0.00 -0.12 0.52 0.86 0.00 0.00 177.93 179.15 1jgn h MET 58 N 0.00 -0.31 0.00 2.45 2.86 0.15 -0.27 114.93 119.81 1jgn h MET 58 Ca -0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1jgn h MET 58 Cb 0.29 0.07 0.00 0.00 0.06 0.00 0.00 31.60 32.02 1jgn h MET 58 CO 0.00 0.05 0.00 1.25 1.06 0.00 0.00 176.91 179.27 1jgn h LEU 59 N -0.81 0.00 0.00 1.22 7.12 -1.40 -0.20 115.31 121.23 1jgn h LEU 59 Ca -0.03 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.98 1jgn h LEU 59 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 1jgn h LEU 59 CO 0.05 0.00 -0.98 1.21 -0.13 0.00 0.00 178.44 178.60 1jgn n GLU 60 N -2.75 0.21 -3.88 1.25 4.07 -1.12 -4.66 120.64 113.76 1jgn n GLU 60 Ca -0.01 -0.01 -0.29 0.00 -0.06 0.00 0.00 57.16 56.78 1jgn n GLU 60 Cb 0.13 -1.56 -0.13 0.00 -0.06 0.00 0.00 31.44 29.81 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 -3.64 4.22 0.46 4.31 0.15 -0.09 -4.95 113.70 114.17 1jgn s SER 61 Ca 0.05 -3.13 0.12 0.00 0.70 0.00 0.00 55.95 53.70 1jgn s SER 61 Cb 0.15 -1.50 1.07 0.00 -1.71 0.00 0.00 66.02 64.03 1jgn s SER 61 CO 0.80 -0.20 2.08 -0.65 1.20 0.00 0.00 173.24 176.47 1jgn h PRO 62 N 6.28 0.29 0.00 5.44 0.11 -1.83 0.22 132.00 142.51 1jgn h PRO 62 Ca -0.01 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.08 1jgn h PRO 62 Cb 0.87 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1jgn h PRO 62 CO 0.65 0.19 -0.03 0.93 -0.21 0.00 0.00 178.00 179.53 1jgn h GLU 63 N 0.29 0.01 -0.16 1.05 4.39 -1.92 -2.97 114.58 115.28 1jgn h GLU 63 Ca 0.11 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.74 1jgn h GLU 63 Cb 0.09 0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1jgn h GLU 63 CO -0.02 0.90 -0.12 0.77 -1.16 0.00 0.00 179.01 179.38 1jgn h SER 64 N -0.86 0.37 0.53 1.42 0.02 -1.88 -2.99 113.55 110.16 1jgn h SER 64 Ca -0.00 -0.45 -0.03 0.00 -0.84 0.00 0.00 61.79 60.47 1jgn h SER 64 Cb 0.91 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 63.35 1jgn h SER 64 CO 0.01 0.75 -0.26 0.25 -1.14 0.00 0.00 176.83 176.44 1jgn h LEU 65 N 0.01 -0.60 -1.93 5.07 5.85 -0.72 -2.75 115.31 120.22 1jgn h LEU 65 Ca 0.03 0.02 0.27 0.00 0.84 0.00 0.00 57.88 59.04 1jgn h LEU 65 Cb 0.62 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 1jgn h LEU 65 CO 0.03 -0.43 0.73 -0.09 -0.34 0.00 0.00 178.44 178.34 1jgn h ARG 66 N -0.72 0.00 -0.40 1.25 2.43 -1.65 0.51 114.38 115.79 1jgn h ARG 66 Ca -0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 1jgn h ARG 66 Cb 0.55 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 1jgn h ARG 66 CO 0.12 0.00 0.20 1.03 -1.51 0.00 0.00 179.97 179.81 1jgn h SER 67 N 0.00 0.53 0.55 -3.80 0.87 -1.33 0.23 113.55 110.59 1jgn h SER 67 Ca 0.44 -0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.85 1jgn h SER 67 Cb 1.89 -0.14 0.01 0.00 -0.44 0.00 0.00 62.40 63.72 1jgn h SER 67 CO -0.00 0.50 -0.26 0.11 -0.53 0.00 0.00 176.83 176.64 1jgn h LYS 68 N 0.51 -0.71 -0.02 2.24 1.57 0.24 -2.99 116.57 117.42 1jgn h LYS 68 Ca 0.14 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1jgn h LYS 68 Cb 0.11 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1jgn h LYS 68 CO -0.02 -0.47 0.12 0.28 -0.57 0.00 0.00 179.45 178.78 1jgn h VAL 69 N -0.99 0.06 -0.21 0.50 2.07 -1.40 0.11 116.25 116.39 1jgn h VAL 69 Ca -0.08 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1jgn h VAL 69 Cb 0.57 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1jgn h VAL 69 CO 0.12 0.00 0.02 -0.78 0.02 0.00 0.00 177.57 176.95 1jgn h ASP 70 N 0.00 -0.04 0.44 0.57 1.82 -0.39 0.52 116.42 119.34 1jgn h ASP 70 Ca 0.01 0.04 -0.06 0.00 -0.39 0.00 0.00 57.03 56.63 1jgn h ASP 70 Cb 0.24 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.30 1jgn h ASP 70 CO -0.00 0.01 -0.28 -0.08 -1.61 0.00 0.00 179.24 177.28 1jgn h GLU 71 N 0.09 0.00 -0.42 0.28 4.81 -0.78 -2.32 114.58 116.25 1jgn h GLU 71 Ca 0.09 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.24 1jgn h GLU 71 Cb 0.11 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 1jgn h GLU 71 CO -0.14 0.28 -0.09 0.00 -0.73 0.00 0.00 179.01 178.32 1jgn h ALA 72 N 1.72 1.06 -0.29 2.92 0.00 0.07 0.20 119.26 124.94 1jgn h ALA 72 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1jgn h ALA 72 Cb 0.57 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1jgn h ALA 72 CO 0.04 0.58 0.19 0.28 0.00 0.00 0.00 179.25 180.34 1jgn h VAL 73 N 0.67 1.07 -0.06 0.00 2.07 0.47 0.16 116.25 120.62 1jgn h VAL 73 Ca 0.12 -0.13 -0.18 0.00 0.82 0.00 0.00 66.70 67.32 1jgn h VAL 73 Cb 0.55 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1jgn h VAL 73 CO 0.03 0.07 -0.74 0.00 0.02 0.00 0.00 177.57 176.96 1jgn h ALA 74 N 1.82 0.63 -0.65 1.67 0.00 -1.15 -2.94 119.26 118.64 1jgn h ALA 74 Ca 0.11 -0.62 0.13 0.00 0.00 0.00 0.00 54.91 54.53 1jgn h ALA 74 Cb -0.04 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1jgn h ALA 74 CO -0.02 0.78 0.44 0.28 0.00 0.00 0.00 179.25 180.73 1jgn h VAL 75 N 0.22 0.81 -0.08 0.00 2.07 0.22 0.26 116.25 119.75 1jgn h VAL 75 Ca -0.03 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 1jgn h VAL 75 Cb 1.31 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1jgn h VAL 75 CO 0.12 0.06 -0.16 0.25 0.02 0.00 0.00 177.57 177.86 1jgn h LEU 76 N 0.32 0.29 -2.09 2.57 7.12 -1.18 -2.67 115.31 119.66 1jgn h LEU 76 Ca 0.31 -0.56 -0.02 0.00 0.13 0.00 0.00 57.88 57.75 1jgn h LEU 76 Cb 0.79 -0.08 -0.00 0.00 -0.53 0.00 0.00 40.66 40.84 1jgn h LEU 76 CO -0.08 0.79 -0.08 1.56 -0.13 0.00 0.00 178.44 180.51 1jgn h GLN 77 N -0.20 0.00 0.00 1.25 1.08 -0.95 -1.47 115.11 114.82 1jgn h GLN 77 Ca 0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.10 1jgn h GLN 77 Cb 0.74 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.16 1jgn h GLN 77 CO 0.04 0.08 -0.56 0.00 -0.95 0.00 0.00 178.83 177.43 1jgn h ALA 78 N 1.92 0.68 -0.39 3.87 0.00 -0.48 -3.30 119.26 121.56 1jgn h ALA 78 Ca -0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 1jgn h ALA 78 Cb 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1jgn h ALA 78 CO 0.01 0.63 -0.20 1.25 0.00 0.00 0.00 179.25 180.94 1jgn h HIS 79 N 0.00 0.96 0.00 0.00 -0.00 -0.91 -2.68 115.15 112.52 1jgn h HIS 79 Ca -0.02 -0.24 0.00 0.00 -0.00 0.00 0.00 60.37 60.11 1jgn h HIS 79 Cb 1.39 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 1jgn h HIS 79 CO 0.00 1.01 0.00 1.04 -0.00 0.00 0.00 177.93 179.98 1jgn n GLN 80 N -4.23 0.16 -0.00 5.26 6.02 -1.17 -0.62 117.38 122.79 1jgn n GLN 80 Ca -0.02 0.58 -0.09 0.00 -0.01 0.00 0.00 57.00 57.46 1jgn n GLN 80 Cb 0.43 -1.95 -0.07 0.00 1.02 0.00 0.00 30.24 29.67 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 2.07 -0.11 0.00 -1.58 0.00 -1.60 -2.67 119.26 115.38 1jgn h ALA 81 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1jgn h ALA 81 Cb 0.11 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1jgn h ALA 81 CO 0.00 -0.15 -0.00 1.57 0.00 0.00 0.00 179.25 180.67 1jgn h LYS 82 N -0.94 0.00 -0.01 0.00 2.10 -1.54 -3.25 116.57 112.94 1jgn h LYS 82 Ca -0.01 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.57 1jgn h LYS 82 Cb 0.53 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.87 1jgn h LYS 82 CO 0.02 0.00 -0.28 1.49 -2.00 0.00 0.00 179.45 178.68 1jgn h GLU 83 N 0.00 0.21 0.00 0.07 4.57 -0.98 -3.16 114.58 115.29 1jgn h GLU 83 Ca 0.00 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1jgn h GLU 83 Cb 0.98 0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.62 1jgn h GLU 83 CO 0.00 0.92 0.00 0.00 -1.18 0.00 0.00 179.01 178.75 1jgn n ALA 84 N -2.53 1.39 0.51 2.92 0.00 -1.01 -1.52 120.51 120.27 1jgn n ALA 84 Ca -0.10 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.57 1jgn n ALA 84 Cb 0.51 -1.30 0.45 0.00 0.00 0.00 0.00 19.45 19.11 1jgn n ALA 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jgn n ALA 85 N -1.71 1.95 -0.01 0.00 0.00 -1.19 -1.91 120.51 117.64 1jgn n ALA 85 Ca 0.01 0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 1jgn n ALA 85 Cb 0.13 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.10 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 0.00 -0.10 0.00 0.00 1.08 -1.41 -3.40 115.11 111.28 1jgn h GLN 86 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1jgn h GLN 86 Cb 0.53 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.99 1jgn h GLN 86 CO 0.00 0.31 0.00 1.17 -0.95 0.00 0.00 178.83 179.36 1jgn n LYS 87 N -4.80 0.00 -2.28 1.46 3.00 -1.23 -4.64 118.16 109.66 1jgn n LYS 87 Ca -0.05 0.37 -0.35 0.00 -0.00 0.00 0.00 58.31 58.27 1jgn n LYS 87 Cb 0.22 -0.86 -0.04 0.00 0.00 0.00 0.00 35.03 34.35 1jgn n LYS 87 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1jgn s ALA 88 N -3.24 2.24 -0.57 3.14 0.00 -0.80 -4.94 121.76 117.60 1jgn s ALA 88 Ca 0.00 -1.58 -0.20 0.00 0.00 0.00 0.00 51.96 50.18 1jgn s ALA 88 Cb 0.00 -4.46 0.08 0.00 0.00 0.00 0.00 23.12 18.73 1jgn s ALA 88 CO 0.00 -4.05 0.74 0.08 0.00 0.00 0.00 175.76 172.52 1jgn s VAL 89 N 7.64 4.72 -1.08 0.00 1.01 -1.26 -4.28 120.40 127.15 1jgn s VAL 89 Ca 0.57 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 1jgn s VAL 89 Cb -0.06 -4.46 0.29 0.00 0.00 0.00 0.00 36.38 32.15 1jgn s VAL 89 CO 0.02 -1.07 1.23 -0.46 0.00 0.00 0.00 175.10 174.82 1jgn n ASN 90 N 6.60 5.75 -3.92 3.32 6.94 -1.26 -5.03 115.26 127.65 1jgn n ASN 90 Ca -0.07 -3.20 -0.30 0.00 -0.02 0.00 0.00 54.58 51.00 1jgn n ASN 90 Cb 0.44 -1.30 0.21 0.00 -2.36 0.00 0.00 39.78 36.77 1jgn n ASN 90 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 1jgn s SER 91 N -0.04 2.57 -0.98 0.53 1.04 -1.26 -4.94 113.70 110.63 1jgn s SER 91 Ca 0.31 0.18 -0.24 0.00 0.48 0.00 0.00 55.95 56.69 1jgn s SER 91 Cb -0.04 -0.14 0.03 0.00 0.10 0.00 0.00 66.02 65.97 1jgn s SER 91 CO -0.01 -3.06 1.54 0.00 0.98 0.00 0.00 173.24 172.68 1jgn s ALA 92 N -3.87 2.52 0.59 5.32 0.00 -1.26 -4.97 121.76 120.08 1jgn s ALA 92 Ca 0.76 -2.06 0.06 0.00 0.00 0.00 0.00 51.96 50.73 1jgn s ALA 92 Cb -0.03 -4.52 0.10 0.00 0.00 0.00 0.00 23.12 18.68 1jgn s ALA 92 CO 0.54 -3.82 0.79 0.25 0.00 0.00 0.00 175.76 173.52 1jgn n THR 93 N 7.05 0.00 -2.72 0.00 -2.24 -1.26 -5.01 114.28 110.10 1jgn n THR 93 Ca 0.33 -1.65 -0.43 0.00 -2.27 0.00 0.00 64.05 60.02 1jgn n THR 93 Cb 0.50 -0.68 -0.00 0.00 -2.10 0.00 0.00 70.33 68.05 1jgn n THR 93 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1jgn s GLY 94 N -4.55 1.89 -0.33 3.38 0.00 -1.26 -4.95 107.32 101.50 1jgn s GLY 94 Ca 0.57 -3.02 -0.10 0.00 0.00 0.00 0.00 44.72 42.17 1jgn s GLY 94 CO 0.37 2.46 0.17 0.14 0.00 0.00 0.00 173.10 176.23 1jgn s VAL 95 N 3.29 4.52 1.15 1.40 1.01 -1.26 -5.09 120.40 125.42 1jgn s VAL 95 Ca 0.48 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 1jgn s VAL 95 Cb 0.01 -3.40 0.28 0.00 0.00 0.00 0.00 36.38 33.27 1jgn s VAL 95 CO 0.03 -0.05 1.04 -2.84 0.00 0.00 0.00 175.10 173.28 1jgn s PRO 96 N 1.58 -0.80 0.15 2.72 0.02 -1.26 -5.00 135.00 132.40 1jgn s PRO 96 Ca 0.03 0.99 -0.13 0.00 0.02 0.00 0.00 61.00 61.91 1jgn s PRO 96 Cb -0.18 -1.56 -0.07 0.00 0.02 0.00 0.00 34.50 32.72 1jgn s PRO 96 CO 0.06 -3.69 0.52 0.95 -0.33 0.00 0.00 177.00 174.51 1jgn s THR 97 N -2.44 4.92 -0.59 0.99 -4.23 -1.26 -5.27 115.64 107.76 1jgn s THR 97 Ca 0.69 0.69 0.05 0.00 -1.18 0.00 0.00 61.69 61.93 1jgn s THR 97 Cb -0.25 -3.70 0.04 0.00 1.34 0.00 0.00 72.50 69.93 1jgn s THR 97 CO 0.64 0.19 0.65 0.52 -0.54 0.00 0.00 174.62 176.09