#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 2.09 0.00 1.61 0.04 -1.26 -4.98 135.00 132.50 1jgn s PRO 2 Ca 0.00 0.41 0.24 0.00 0.04 0.00 0.00 61.00 61.69 1jgn s PRO 2 Cb 0.00 -1.94 0.41 0.00 0.04 0.00 0.00 34.50 33.01 1jgn s PRO 2 CO 0.00 -1.57 1.39 -0.11 0.04 0.00 0.00 177.00 176.75 1jgn n LEU 3 N -3.36 2.93 -1.46 -3.56 7.94 -1.26 -4.13 117.00 114.10 1jgn n LEU 3 Ca 0.07 -1.12 0.08 0.00 -1.11 0.00 0.00 56.01 53.93 1jgn n LEU 3 Cb 0.58 -0.11 0.34 0.00 0.53 0.00 0.00 43.42 44.76 1jgn n LEU 3 CO 0.57 0.56 0.80 0.61 -1.11 0.00 0.00 177.39 178.82 1jgn n GLY 4 N 1.38 3.14 3.59 -3.96 0.00 -1.26 -4.93 105.19 103.15 1jgn n GLY 4 Ca 0.17 -0.89 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 1jgn n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jgn s SER 5 N -1.12 6.62 0.33 1.61 1.04 -1.26 -5.01 113.70 115.91 1jgn s SER 5 Ca 0.48 0.42 -0.29 0.00 0.48 0.00 0.00 55.95 57.04 1jgn s SER 5 Cb 0.35 -2.50 -0.11 0.00 0.10 0.00 0.00 66.02 63.86 1jgn s SER 5 CO 0.17 -1.10 1.45 -2.84 0.98 0.00 0.00 173.24 171.90 1jgn s PRO 6 N 4.02 4.21 0.00 4.02 0.02 -1.26 -4.98 135.00 141.03 1jgn s PRO 6 Ca 0.43 2.42 0.00 0.00 0.02 0.00 0.00 61.00 63.87 1jgn s PRO 6 Cb -0.09 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.40 1jgn s PRO 6 CO 0.27 -0.43 0.00 1.28 -0.33 0.00 0.00 177.00 177.78 1jgn n LEU 7 N 1.20 0.00 0.03 -5.54 7.99 -1.26 -4.41 117.00 115.02 1jgn n LEU 7 Ca 0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 56.00 1jgn n LEU 7 Cb 0.40 -0.41 -0.09 0.00 -0.11 0.00 0.00 43.42 43.21 1jgn n LEU 7 CO 0.62 -0.44 -0.22 0.00 -1.51 0.00 0.00 177.39 175.84 1jgn h THR 8 N 0.00 0.74 -0.93 -5.08 1.03 -1.93 -3.12 112.91 103.62 1jgn h THR 8 Ca 0.00 -2.33 0.02 0.00 -0.01 0.00 0.00 66.41 64.09 1jgn h THR 8 Cb 0.00 2.25 -0.05 0.00 -1.07 0.00 0.00 68.15 69.28 1jgn h THR 8 CO 0.00 0.42 0.61 0.00 -0.01 0.00 0.00 175.52 176.54 1jgn h ALA 9 N 1.29 1.20 -0.24 0.00 0.00 -1.93 0.24 119.26 119.82 1jgn h ALA 9 Ca -0.16 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 1jgn h ALA 9 Cb 1.69 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1jgn h ALA 9 CO 0.06 0.53 -0.29 1.03 0.00 0.00 0.00 179.25 180.59 1jgn h SER 10 N 1.22 0.48 -0.67 0.00 0.87 -1.77 -2.63 113.55 111.05 1jgn h SER 10 Ca 0.35 -0.17 -0.07 0.00 -1.23 0.00 0.00 61.79 60.68 1jgn h SER 10 Cb -0.08 -0.13 -0.03 0.00 -0.44 0.00 0.00 62.40 61.72 1jgn h SER 10 CO -0.10 0.76 0.17 0.24 -0.53 0.00 0.00 176.83 177.37 1jgn h MET 11 N 0.41 1.08 -0.65 2.24 2.86 -0.99 -2.44 114.93 117.44 1jgn h MET 11 Ca 0.06 -0.25 0.12 0.00 -2.06 0.00 0.00 59.70 57.56 1jgn h MET 11 Cb 0.72 -0.15 -0.08 0.00 0.06 0.00 0.00 31.60 32.15 1jgn h MET 11 CO 0.06 0.95 0.21 -0.07 1.06 0.00 0.00 176.91 179.12 1jgn h LEU 12 N 1.03 0.16 -1.08 1.22 3.38 -0.24 1.03 115.31 120.82 1jgn h LEU 12 Ca 0.22 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.21 1jgn h LEU 12 Cb 0.35 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1jgn h LEU 12 CO 0.00 0.08 -0.18 0.00 0.09 0.00 0.00 178.44 178.43 1jgn h ALA 13 N 1.48 1.23 -0.59 1.53 0.00 -1.44 -2.76 119.26 118.71 1jgn h ALA 13 Ca 0.35 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1jgn h ALA 13 Cb 0.49 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1jgn h ALA 13 CO -0.37 0.50 0.09 0.43 0.00 0.00 0.00 179.25 179.90 1jgn n SER 14 N -4.18 5.15 -3.69 0.00 7.64 0.54 -4.86 113.62 114.23 1jgn n SER 14 Ca 0.00 -3.07 -0.23 0.00 1.01 0.00 0.00 58.87 56.58 1jgn n SER 14 Cb 0.35 -0.69 -0.17 0.00 -1.01 0.00 0.00 64.21 62.69 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 -2.87 0.52 1.12 -0.43 0.00 0.33 -4.97 121.76 115.45 1jgn s ALA 15 Ca 0.53 -0.14 -0.16 0.00 0.00 0.00 0.00 51.96 52.19 1jgn s ALA 15 Cb 0.42 -0.84 0.17 0.00 0.00 0.00 0.00 23.12 22.87 1jgn s ALA 15 CO 0.14 -0.75 0.44 -2.30 0.00 0.00 0.00 175.76 173.30 1jgn n PRO 16 N 5.22 -1.80 -0.19 0.00 -0.02 -1.26 -4.75 135.00 132.20 1jgn n PRO 16 Ca -0.06 -0.50 0.10 0.00 -2.02 0.00 0.00 63.50 61.02 1jgn n PRO 16 Cb 0.49 -1.91 0.41 0.00 -0.02 0.00 0.00 33.50 32.48 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 -2.26 0.60 0.00 0.52 0.11 -2.01 0.12 132.00 129.08 1jgn h PRO 17 Ca -0.56 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.52 1jgn h PRO 17 Cb 1.34 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1jgn h PRO 17 CO 0.42 0.40 0.00 1.04 -0.21 0.00 0.00 178.00 179.65 1jgn n GLN 18 N -4.50 0.09 -0.07 1.05 6.02 -1.26 -2.06 117.38 116.65 1jgn n GLN 18 Ca 0.13 0.33 0.03 0.00 -0.01 0.00 0.00 57.00 57.48 1jgn n GLN 18 Cb 0.37 -1.67 0.10 0.00 1.02 0.00 0.00 30.24 30.06 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 -1.84 1.33 -0.02 -1.09 4.07 0.42 -4.34 120.64 119.16 1jgn n GLU 19 Ca 0.03 -0.51 -0.11 0.00 -0.06 0.00 0.00 57.16 56.51 1jgn n GLU 19 Cb 0.20 -1.13 -0.07 0.00 -0.06 0.00 0.00 31.44 30.37 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 0.85 -0.38 -0.15 5.31 3.07 -1.55 0.14 115.11 122.41 1jgn h GLN 20 Ca 0.00 0.03 0.04 0.00 0.09 0.00 0.00 58.65 58.81 1jgn h GLN 20 Cb 0.19 0.09 -0.01 0.00 0.08 0.00 0.00 27.48 27.84 1jgn h GLN 20 CO 0.00 -0.26 0.25 1.57 0.09 0.00 0.00 178.83 180.48 1jgn h LYS 21 N -0.40 0.00 0.00 0.06 5.09 -1.73 0.54 116.57 120.14 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 0.48 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.81 1jgn h LYS 21 CO -0.33 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 177.97 1jgn n GLN 22 N -3.45 0.00 0.00 0.07 7.27 -0.02 -4.25 117.38 117.01 1jgn n GLN 22 Ca 0.01 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.12 1jgn n GLN 22 Cb 0.35 -0.72 0.00 0.00 2.41 0.00 0.00 30.24 32.29 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 -0.63 0.00 0.00 3.69 0.00 -0.88 -4.20 117.12 115.11 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 -0.11 0.00 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 -1.24 -4.74 117.00 114.19 1jgn n LEU 24 Ca 0.00 0.08 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 1jgn n LEU 24 Cb 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 43.42 43.34 1jgn n LEU 24 CO 0.00 -0.08 0.00 0.61 -0.00 0.00 0.00 177.39 177.92 1jgn n GLY 25 N -1.07 2.89 0.02 1.47 0.00 0.18 -1.18 105.19 107.50 1jgn n GLY 25 Ca 0.00 0.09 -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 -0.04 0.00 1.61 3.07 -1.88 -3.05 114.58 114.29 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 -0.78 -4.93 116.66 113.84 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 32.47 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 0.02 -0.27 6.15 4.32 -0.32 -3.41 117.00 123.49 1jgn n LEU 28 Ca 0.00 0.88 0.08 0.00 -0.02 0.00 0.00 56.01 56.96 1jgn n LEU 28 Cb 0.44 -0.40 0.17 0.00 -1.62 0.00 0.00 43.42 42.02 1jgn n LEU 28 CO 0.00 -0.40 0.57 0.33 -1.22 0.00 0.00 177.39 176.67 1jgn n PHE 29 N -1.70 0.40 -0.23 -1.77 -0.00 -1.19 -0.36 117.46 112.61 1jgn n PHE 29 Ca 0.00 0.94 -0.06 0.00 -0.00 0.00 0.00 57.45 58.33 1jgn n PHE 29 Cb 0.00 -1.02 0.09 0.00 -0.00 0.00 0.00 39.48 38.55 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 1.06 -0.15 -7.13 0.13 -1.83 1.12 132.00 125.21 1jgn h PRO 30 Ca 0.43 -0.24 -0.07 0.00 -0.87 0.00 0.00 66.00 65.25 1jgn h PRO 30 Cb 0.79 -0.15 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 1jgn h PRO 30 CO -0.76 0.93 -0.17 -0.07 -0.23 0.00 0.00 178.00 177.69 1jgn h LEU 31 N 1.02 0.41 -0.32 1.56 3.38 -0.71 -2.33 115.31 118.31 1jgn h LEU 31 Ca 0.22 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1jgn h LEU 31 Cb 0.33 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1jgn h LEU 31 CO -0.00 0.82 0.00 -0.38 0.09 0.00 0.00 178.44 178.97 1jgn n ILE 32 N -4.52 0.69 -0.22 1.22 5.41 -0.67 -2.53 119.36 118.74 1jgn n ILE 32 Ca -0.06 0.04 -0.03 0.00 1.00 0.00 0.00 62.75 63.70 1jgn n ILE 32 Cb 0.38 -0.89 0.17 0.00 -0.71 0.00 0.00 39.64 38.59 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 1.02 -0.04 0.38 4.15 0.19 1.48 115.11 122.29 1jgn h GLN 33 Ca 0.00 -0.15 -0.11 0.00 0.77 0.00 0.00 58.65 59.16 1jgn h GLN 33 Cb 0.49 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1jgn h GLN 33 CO 0.00 0.79 -0.49 0.00 -1.93 0.00 0.00 178.83 177.20 1jgn h ALA 34 N 1.35 1.11 -0.87 3.38 0.00 -1.42 -2.37 119.26 120.44 1jgn h ALA 34 Ca 0.24 -0.46 -0.37 0.00 0.00 0.00 0.00 54.91 54.33 1jgn h ALA 34 Cb 0.12 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 17.61 1jgn h ALA 34 CO -0.03 0.63 0.46 -1.33 0.00 0.00 0.00 179.25 178.98 1jgn n MET 35 N -3.95 2.99 0.16 0.00 2.81 0.17 -4.62 117.12 114.69 1jgn n MET 35 Ca -0.02 -3.06 0.02 0.00 -1.81 0.00 0.00 57.70 52.84 1jgn n MET 35 Cb 0.52 -2.20 0.37 0.00 -0.71 0.00 0.00 33.22 31.20 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 1.84 0.10 -1.71 2.03 -0.00 0.25 -3.17 115.15 114.49 1jgn h HIS 36 Ca 0.45 -0.02 0.50 0.00 -0.00 0.00 0.00 60.37 61.30 1jgn h HIS 36 Cb 2.60 -0.03 -0.07 0.00 -0.00 0.00 0.00 27.41 29.92 1jgn h HIS 36 CO 1.44 0.38 1.34 -2.30 -0.00 0.00 0.00 177.93 178.79 1jgn n PRO 37 N -4.16 0.00 0.00 5.12 -0.01 -1.26 -2.22 135.00 132.46 1jgn n PRO 37 Ca -0.02 1.03 0.00 0.00 -0.01 0.00 0.00 63.50 64.50 1jgn n PRO 37 Cb 0.36 -2.42 0.00 0.00 -0.01 0.00 0.00 33.50 31.43 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 -3.70 0.00 -2.66 3.45 -1.04 -1.20 -4.98 114.28 104.16 1jgn n THR 38 Ca 0.39 0.06 -0.04 0.00 -2.04 0.00 0.00 64.05 62.42 1jgn n THR 38 Cb 1.85 -0.14 0.04 0.00 -1.82 0.00 0.00 70.33 70.25 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 -0.31 -1.27 -0.35 -4.42 0.00 -0.94 -5.01 117.00 104.69 1jgn n LEU 39 Ca 0.00 -2.30 0.32 0.00 0.00 0.00 0.00 56.01 54.03 1jgn n LEU 39 Cb 0.00 0.57 0.56 0.00 0.00 0.00 0.00 43.42 44.55 1jgn n LEU 39 CO 0.00 1.39 1.01 0.00 0.00 0.00 0.00 177.39 179.78 1jgn n ALA 40 N -0.57 1.06 -0.03 1.96 0.00 -1.24 -1.15 120.51 120.54 1jgn n ALA 40 Ca -0.17 0.82 -0.15 0.00 0.00 0.00 0.00 53.44 53.94 1jgn n ALA 40 Cb 0.71 -0.91 -0.10 0.00 0.00 0.00 0.00 19.45 19.15 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 -1.05 1.92 0.00 0.00 -1.92 -2.26 103.07 99.77 1jgn h GLY 41 Ca 0.76 0.68 -0.19 0.00 0.00 0.00 0.00 47.33 48.57 1jgn h GLY 41 CO -0.53 -0.18 -0.91 1.70 0.00 0.00 0.00 176.54 176.62 1jgn h LYS 42 N -0.55 0.06 0.15 4.80 1.63 -1.57 -3.34 116.57 117.76 1jgn h LYS 42 Ca 0.04 -0.08 0.02 0.00 -0.85 0.00 0.00 60.65 59.78 1jgn h LYS 42 Cb 0.67 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.28 1jgn h LYS 42 CO -0.46 0.92 -0.35 0.82 -3.45 0.00 0.00 179.45 176.93 1jgn h ILE 43 N 0.03 0.27 -0.63 2.00 2.04 -1.16 -2.47 117.51 117.59 1jgn h ILE 43 Ca -0.03 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.96 1jgn h ILE 43 Cb 1.58 0.27 -0.12 0.00 -0.74 0.00 0.00 36.82 37.81 1jgn h ILE 43 CO 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 178.15 178.17 1jgn h THR 44 N -0.60 0.40 -0.03 -0.27 1.03 -1.53 -2.47 112.91 109.43 1jgn h THR 44 Ca 0.02 -0.01 0.02 0.00 -0.01 0.00 0.00 66.41 66.43 1jgn h THR 44 Cb 0.62 0.36 -0.05 0.00 -1.07 0.00 0.00 68.15 68.01 1jgn h THR 44 CO -0.19 0.01 -0.44 1.23 -0.01 0.00 0.00 175.52 176.12 1jgn h GLY 45 N 0.04 -1.18 0.38 2.99 0.00 -1.57 0.36 103.07 104.08 1jgn h GLY 45 Ca 0.32 0.66 -0.01 0.00 0.00 0.00 0.00 47.33 48.29 1jgn h GLY 45 CO -0.62 -0.29 -0.37 -0.33 0.00 0.00 0.00 176.54 174.94 1jgn h MET 46 N -0.53 -0.71 0.00 4.80 2.86 -1.24 -1.91 114.93 118.20 1jgn h MET 46 Ca 0.01 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 1jgn h MET 46 Cb 0.58 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1jgn h MET 46 CO -0.31 -0.48 0.00 1.28 1.06 0.00 0.00 176.91 178.47 1jgn n LEU 47 N -4.62 0.00 0.00 1.22 7.99 -0.97 -3.08 117.00 117.55 1jgn n LEU 47 Ca -0.09 0.00 0.05 0.00 -0.01 0.00 0.00 56.01 55.96 1jgn n LEU 47 Cb 0.34 0.00 0.22 0.00 -0.11 0.00 0.00 43.42 43.86 1jgn n LEU 47 CO 0.19 0.00 0.64 0.18 -1.51 0.00 0.00 177.39 176.89 1jgn n LEU 48 N -0.91 0.00 -0.31 2.23 4.77 0.12 -1.80 117.00 121.11 1jgn n LEU 48 Ca 0.10 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 1jgn n LEU 48 Cb 0.05 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1jgn n LEU 48 CO 0.08 -0.30 0.25 -0.62 -1.33 0.00 0.00 177.39 175.47 1jgn n GLU 49 N -1.44 0.73 -2.10 3.23 -0.58 -1.18 -4.79 120.64 114.52 1jgn n GLU 49 Ca 0.03 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.48 1jgn n GLU 49 Cb 0.10 -1.22 0.03 0.00 -0.57 0.00 0.00 31.44 29.77 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 -1.39 3.99 0.78 -3.67 2.07 -0.74 -5.05 121.20 117.19 1jgn s ILE 50 Ca 0.00 0.43 -0.11 0.00 -1.41 0.00 0.00 60.65 59.56 1jgn s ILE 50 Cb 0.00 -3.61 0.06 0.00 0.13 0.00 0.00 42.46 39.04 1jgn s ILE 50 CO 0.00 -0.74 1.09 -1.81 -1.91 0.00 0.00 174.94 171.57 1jgn s ASP 51 N -4.27 4.50 -0.01 4.50 1.01 -1.26 -4.97 116.67 116.16 1jgn s ASP 51 Ca 0.55 1.73 0.13 0.00 0.71 0.00 0.00 52.55 55.67 1jgn s ASP 51 Cb -0.11 -2.46 -0.21 0.00 1.01 0.00 0.00 42.92 41.15 1jgn s ASP 51 CO 0.50 -2.03 0.75 0.78 0.21 0.00 0.00 175.17 175.38 1jgn h ASN 52 N -1.12 0.00 0.64 0.27 4.21 -1.96 -2.68 115.58 114.93 1jgn h ASN 52 Ca -0.44 0.00 -0.15 0.00 1.21 0.00 0.00 56.30 56.91 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 0.53 0.94 -0.70 0.28 -1.29 0.00 0.00 177.43 177.18 1jgn h SER 53 N 0.00 0.07 1.01 5.81 0.02 -2.01 -3.03 113.55 115.42 1jgn h SER 53 Ca -0.24 -0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 60.49 1jgn h SER 53 Cb 1.92 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 64.42 1jgn h SER 53 CO 0.08 0.75 -0.81 1.05 -1.14 0.00 0.00 176.83 176.76 1jgn h GLU 54 N 0.04 0.00 -0.55 3.45 -0.00 -1.96 -3.21 114.58 112.35 1jgn h GLU 54 Ca -0.01 0.00 0.03 0.00 -0.00 0.00 0.00 59.36 59.37 1jgn h GLU 54 Cb 1.25 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 29.96 1jgn h GLU 54 CO 0.10 0.81 0.33 1.37 -0.00 0.00 0.00 179.01 181.62 1jgn h LEU 55 N 0.00 0.54 -0.19 3.06 8.10 -1.35 -1.85 115.31 123.62 1jgn h LEU 55 Ca -0.01 0.00 0.03 0.00 0.11 0.00 0.00 57.88 58.01 1jgn h LEU 55 Cb 1.53 -0.11 -0.03 0.00 -0.44 0.00 0.00 40.66 41.62 1jgn h LEU 55 CO 0.11 0.38 0.03 0.25 -4.11 0.00 0.00 178.44 175.09 1jgn h LEU 56 N 0.66 -0.01 -2.41 0.17 6.46 -1.58 -0.96 115.31 117.64 1jgn h LEU 56 Ca 0.22 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 58.04 1jgn h LEU 56 Cb 0.02 0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 39.99 1jgn h LEU 56 CO -0.10 0.02 0.16 -0.74 -0.62 0.00 0.00 178.44 177.17 1jgn h HIS 57 N 0.10 0.00 0.16 1.25 2.76 -1.38 -2.60 115.15 115.44 1jgn h HIS 57 Ca 0.08 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.25 1jgn h HIS 57 Cb 0.09 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.05 1jgn h HIS 57 CO -0.15 0.00 -0.08 0.52 -1.30 0.00 0.00 177.93 176.93 1jgn h MET 58 N 0.00 -0.21 0.00 5.26 2.86 -0.40 -0.92 114.93 121.52 1jgn h MET 58 Ca 0.04 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1jgn h MET 58 Cb 0.36 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1jgn h MET 58 CO -0.00 0.22 0.00 1.47 1.06 0.00 0.00 176.91 179.66 1jgn n LEU 59 N -4.95 0.00 -0.00 1.22 -0.00 -1.00 -0.46 117.00 111.81 1jgn n LEU 59 Ca -0.08 0.37 0.10 0.00 -0.00 0.00 0.00 56.01 56.40 1jgn n LEU 59 Cb 0.27 -0.37 -0.11 0.00 -0.00 0.00 0.00 43.42 43.21 1jgn n LEU 59 CO 0.28 -0.22 -0.12 -0.62 -0.00 0.00 0.00 177.39 176.71 1jgn n GLU 60 N -1.37 0.09 -3.87 1.47 1.02 -1.10 -4.70 120.64 112.18 1jgn n GLU 60 Ca 0.05 -0.03 -0.29 0.00 -0.02 0.00 0.00 57.16 56.87 1jgn n GLU 60 Cb 0.11 -1.51 -0.13 0.00 -0.02 0.00 0.00 31.44 29.90 1jgn n GLU 60 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1jgn s SER 61 N -3.22 4.29 0.39 1.62 0.01 0.39 -4.94 113.70 112.24 1jgn s SER 61 Ca 0.06 -3.31 0.07 0.00 1.31 0.00 0.00 55.95 54.09 1jgn s SER 61 Cb 0.16 -1.50 0.78 0.00 0.21 0.00 0.00 66.02 65.67 1jgn s SER 61 CO 0.87 -0.17 1.96 1.55 0.41 0.00 0.00 173.24 177.86 1jgn h PRO 62 N 6.04 0.42 0.05 12.44 0.13 -1.84 0.21 132.00 149.44 1jgn h PRO 62 Ca 0.04 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 65.01 1jgn h PRO 62 Cb 0.84 -0.07 0.01 0.00 0.13 0.00 0.00 31.00 31.91 1jgn h PRO 62 CO 0.66 0.41 -0.39 0.93 -0.23 0.00 0.00 178.00 179.37 1jgn h GLU 63 N 0.41 0.18 0.22 0.86 5.08 -1.92 -3.08 114.58 116.33 1jgn h GLU 63 Ca 0.10 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.19 1jgn h GLU 63 Cb 0.19 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1jgn h GLU 63 CO -0.00 1.07 -0.10 0.77 -1.00 0.00 0.00 179.01 179.74 1jgn h SER 64 N -0.57 -0.25 0.66 1.42 0.02 -1.90 -3.07 113.55 109.86 1jgn h SER 64 Ca -0.06 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.58 1jgn h SER 64 Cb 1.24 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.84 1jgn h SER 64 CO 0.08 0.25 -0.39 0.25 -1.14 0.00 0.00 176.83 175.88 1jgn h LEU 65 N -0.86 -0.98 -1.29 5.07 7.12 -0.77 0.05 115.31 123.65 1jgn h LEU 65 Ca -0.03 0.05 0.23 0.00 0.13 0.00 0.00 57.88 58.26 1jgn h LEU 65 Cb 0.51 0.28 -0.09 0.00 -0.53 0.00 0.00 40.66 40.83 1jgn h LEU 65 CO 0.05 -0.61 0.63 -0.09 -0.13 0.00 0.00 178.44 178.29 1jgn h ARG 66 N -0.98 0.50 -0.19 1.25 2.43 -1.66 0.71 114.38 116.44 1jgn h ARG 66 Ca -0.09 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.93 1jgn h ARG 66 Cb 0.78 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1jgn h ARG 66 CO 0.10 0.33 -0.42 1.03 -1.51 0.00 0.00 179.97 179.50 1jgn h SER 67 N 0.51 0.46 0.52 -3.80 0.87 -1.40 0.14 113.55 110.86 1jgn h SER 67 Ca 0.56 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.89 1jgn h SER 67 Cb 1.23 -0.13 0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1jgn h SER 67 CO -0.29 0.83 -0.25 0.50 -0.53 0.00 0.00 176.83 177.08 1jgn h LYS 68 N 0.36 -0.67 0.00 2.24 3.64 0.23 -2.76 116.57 119.61 1jgn h LYS 68 Ca 0.03 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 1jgn h LYS 68 Cb 0.89 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1jgn h LYS 68 CO 0.07 -0.37 0.00 0.28 -2.27 0.00 0.00 179.45 177.17 1jgn h VAL 69 N -0.99 0.00 -0.38 2.00 2.07 -0.82 -2.21 116.25 115.92 1jgn h VAL 69 Ca -0.07 -0.22 0.07 0.00 0.82 0.00 0.00 66.70 67.30 1jgn h VAL 69 Cb 0.62 1.14 -0.06 0.00 -1.52 0.00 0.00 31.29 31.46 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 -0.11 -0.18 0.57 3.58 -0.41 0.23 116.42 120.10 1jgn h ASP 70 Ca 0.00 0.08 -0.08 0.00 0.42 0.00 0.00 57.03 57.45 1jgn h ASP 70 Cb 0.23 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 1jgn h ASP 70 CO 0.00 -0.02 -0.14 -0.08 -2.88 0.00 0.00 179.24 176.12 1jgn h GLU 71 N 0.13 0.56 -0.95 0.28 4.81 -1.37 -2.44 114.58 115.60 1jgn h GLU 71 Ca 0.18 -0.18 0.10 0.00 -0.13 0.00 0.00 59.36 59.34 1jgn h GLU 71 Cb 0.25 -0.05 -0.08 0.00 0.63 0.00 0.00 28.75 29.50 1jgn h GLU 71 CO -0.29 0.69 0.59 0.00 -0.73 0.00 0.00 179.01 179.27 1jgn h ALA 72 N 1.34 1.39 -0.41 2.92 0.00 -0.66 0.25 119.26 124.09 1jgn h ALA 72 Ca 0.09 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1jgn h ALA 72 Cb 0.55 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1jgn h ALA 72 CO 0.03 0.23 0.23 0.28 0.00 0.00 0.00 179.25 180.03 1jgn h VAL 73 N 0.97 1.12 -0.08 0.00 2.07 -0.19 -2.15 116.25 117.99 1jgn h VAL 73 Ca 0.45 -0.30 -0.18 0.00 0.82 0.00 0.00 66.70 67.49 1jgn h VAL 73 Cb 0.39 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 1jgn h VAL 73 CO -0.24 0.13 -0.72 0.00 0.02 0.00 0.00 177.57 176.76 1jgn h ALA 74 N 1.70 0.60 -0.26 1.67 0.00 -0.49 -2.95 119.26 119.52 1jgn h ALA 74 Ca 0.15 -0.60 0.07 0.00 0.00 0.00 0.00 54.91 54.53 1jgn h ALA 74 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1jgn h ALA 74 CO -0.03 0.76 0.19 -0.39 0.00 0.00 0.00 179.25 179.78 1jgn h VAL 75 N 0.28 0.84 0.20 0.00 -1.51 -0.46 -0.99 116.25 114.61 1jgn h VAL 75 Ca -0.03 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.43 1jgn h VAL 75 Cb 1.30 0.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.33 1jgn h VAL 75 CO 0.12 0.00 -0.10 -0.07 -1.23 0.00 0.00 177.57 176.30 1jgn h LEU 76 N 0.00 -0.23 -1.62 4.19 -0.00 -1.45 0.17 115.31 116.37 1jgn h LEU 76 Ca 0.12 -0.29 0.24 0.00 -0.00 0.00 0.00 57.88 57.95 1jgn h LEU 76 Cb 0.50 0.06 -0.06 0.00 -0.00 0.00 0.00 40.66 41.15 1jgn h LEU 76 CO -0.00 0.28 0.64 1.56 -0.00 0.00 0.00 178.44 180.92 1jgn h GLN 77 N -0.87 0.28 0.06 1.13 1.08 -1.30 0.53 115.11 116.02 1jgn h GLN 77 Ca -0.03 -0.02 -0.25 0.00 -1.45 0.00 0.00 58.65 56.90 1jgn h GLN 77 Cb 0.51 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 1jgn h GLN 77 CO 0.05 0.18 -1.23 0.00 -0.95 0.00 0.00 178.83 176.88 1jgn h ALA 78 N 1.59 0.29 -0.17 3.87 0.00 -1.18 -2.99 119.26 120.66 1jgn h ALA 78 Ca 0.49 -0.98 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1jgn h ALA 78 Cb 1.43 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 1jgn h ALA 78 CO -0.15 1.17 0.03 1.25 0.00 0.00 0.00 179.25 181.54 1jgn h HIS 79 N 0.04 0.23 0.00 0.00 -0.00 0.31 0.63 115.15 116.36 1jgn h HIS 79 Ca -0.11 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 1jgn h HIS 79 Cb 1.90 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 29.23 1jgn h HIS 79 CO 0.03 0.22 -0.13 1.96 -0.00 0.00 0.00 177.93 180.01 1jgn h GLN 80 N 0.24 0.00 0.01 5.26 1.08 -1.26 -3.36 115.11 117.07 1jgn h GLN 80 Ca 0.06 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1jgn h GLN 80 Cb 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.55 1jgn h GLN 80 CO -0.00 0.00 -0.01 0.00 -0.95 0.00 0.00 178.83 177.87 1jgn h ALA 81 N -1.40 -0.02 -0.00 3.87 0.00 -1.59 -2.16 119.26 117.96 1jgn h ALA 81 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jgn h ALA 81 Cb 0.13 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1jgn h ALA 81 CO 0.00 -0.02 0.05 0.87 0.00 0.00 0.00 179.25 180.15 1jgn h LYS 82 N -1.00 0.00 0.05 0.00 1.79 -1.26 0.16 116.57 116.31 1jgn h LYS 82 Ca -0.00 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 58.10 1jgn h LYS 82 Cb 0.22 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 30.83 1jgn h LYS 82 CO 0.00 0.00 -2.20 -1.91 -1.08 0.00 0.00 179.45 174.27 1jgn n GLU 83 N -3.08 0.70 0.26 3.15 0.00 0.05 -3.98 120.64 117.73 1jgn n GLU 83 Ca -0.03 0.20 0.15 0.00 0.00 0.00 0.00 57.16 57.48 1jgn n GLU 83 Cb 0.12 -1.63 0.54 0.00 0.00 0.00 0.00 31.44 30.47 1jgn n GLU 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1jgn h ALA 84 N 0.21 1.00 -0.19 4.31 0.00 -0.70 -3.34 119.26 120.55 1jgn h ALA 84 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1jgn h ALA 84 Cb 2.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1jgn h ALA 84 CO 0.01 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1jgn n ALA 85 N -2.10 -0.13 -2.96 0.00 0.00 -0.02 -4.52 120.51 110.77 1jgn n ALA 85 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.01 1jgn n ALA 85 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 1jgn n ALA 85 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1jgn s GLN 86 N -1.46 3.62 0.00 0.00 -0.21 -1.25 -4.86 119.66 115.49 1jgn s GLN 86 Ca 0.00 -1.86 0.00 0.00 0.02 0.00 0.00 55.36 53.52 1jgn s GLN 86 Cb 0.00 -4.88 0.00 0.00 1.00 0.00 0.00 33.01 29.13 1jgn s GLN 86 CO 0.00 -1.73 0.00 0.36 -2.12 0.00 0.00 175.29 171.80 1jgn n LYS 87 N 6.27 0.00 0.00 2.91 2.85 -1.26 -4.18 118.16 124.75 1jgn n LYS 87 Ca 0.23 0.00 0.14 0.00 -1.05 0.00 0.00 58.31 57.63 1jgn n LYS 87 Cb 0.49 -0.28 0.56 0.00 -0.65 0.00 0.00 35.03 35.15 1jgn n LYS 87 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jgn n ALA 88 N -0.96 2.80 0.72 0.58 0.00 -1.26 -3.44 120.51 118.96 1jgn n ALA 88 Ca 0.00 -0.33 0.12 0.00 0.00 0.00 0.00 53.44 53.23 1jgn n ALA 88 Cb 0.00 -1.27 0.20 0.00 0.00 0.00 0.00 19.45 18.38 1jgn n ALA 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1jgn n VAL 89 N -0.67 0.21 -1.95 0.00 0.31 -1.26 -4.57 118.33 110.39 1jgn n VAL 89 Ca 0.15 -0.17 -0.42 0.00 -0.01 0.00 0.00 64.34 63.89 1jgn n VAL 89 Cb 0.30 0.02 -0.00 0.00 -0.91 0.00 0.00 33.84 33.24 1jgn n VAL 89 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1jgn n ASN 90 N -1.88 4.10 -2.19 4.52 5.15 -1.22 -4.69 115.26 119.05 1jgn n ASN 90 Ca 0.04 -2.85 -0.26 0.00 -0.60 0.00 0.00 54.58 50.91 1jgn n ASN 90 Cb 0.40 -1.66 0.14 0.00 -0.53 0.00 0.00 39.78 38.12 1jgn n ASN 90 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1jgn n SER 91 N 6.94 5.01 -3.87 1.20 3.41 -1.26 -4.98 113.62 120.07 1jgn n SER 91 Ca 0.51 -3.56 -0.30 0.00 -0.26 0.00 0.00 58.87 55.26 1jgn n SER 91 Cb 0.41 -0.88 0.22 0.00 -0.26 0.00 0.00 64.21 63.71 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 -3.23 1.36 0.17 7.33 0.00 -1.26 -5.08 121.76 121.05 1jgn s ALA 92 Ca 0.55 -1.14 0.08 0.00 0.00 0.00 0.00 51.96 51.45 1jgn s ALA 92 Cb 0.45 -2.81 -0.04 0.00 0.00 0.00 0.00 23.12 20.73 1jgn s ALA 92 CO 0.06 -3.12 -0.04 0.95 0.00 0.00 0.00 175.76 173.62 1jgn s THR 93 N -3.45 3.51 0.45 0.00 -4.23 -1.26 -5.13 115.64 105.52 1jgn s THR 93 Ca 0.73 -1.51 -0.09 0.00 -1.18 0.00 0.00 61.69 59.65 1jgn s THR 93 Cb -0.06 -2.75 -0.05 0.00 1.34 0.00 0.00 72.50 70.98 1jgn s THR 93 CO 0.55 -0.10 0.80 -0.83 -0.54 0.00 0.00 174.62 174.49 1jgn s GLY 94 N -2.87 1.79 -0.52 3.99 0.00 -1.26 -5.05 107.32 103.40 1jgn s GLY 94 Ca 0.26 -0.28 -0.08 0.00 0.00 0.00 0.00 44.72 44.63 1jgn s GLY 94 CO 0.17 -0.09 0.38 -1.34 0.00 0.00 0.00 173.10 172.22 1jgn s VAL 95 N -2.55 4.12 0.14 1.40 -7.23 -1.26 -4.93 120.40 110.10 1jgn s VAL 95 Ca 0.50 -2.06 0.25 0.00 -1.81 0.00 0.00 61.98 58.86 1jgn s VAL 95 Cb -0.10 -3.71 0.25 0.00 0.56 0.00 0.00 36.38 33.38 1jgn s VAL 95 CO 0.37 -0.80 1.85 1.55 -0.31 0.00 0.00 175.10 177.76 1jgn h PRO 96 N 8.12 0.00 -6.22 4.82 0.13 -2.08 -3.42 132.00 133.34 1jgn h PRO 96 Ca -0.14 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.43 1jgn h PRO 96 Cb 1.05 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.14 1jgn h PRO 96 CO 0.81 0.20 0.27 0.95 -0.23 0.00 0.00 178.00 180.00 1jgn s THR 97 N -3.68 4.93 -1.48 1.56 -4.23 -1.26 -5.38 115.64 106.10 1jgn s THR 97 Ca 0.00 1.79 0.12 0.00 -1.18 0.00 0.00 61.69 62.42 1jgn s THR 97 Cb 0.10 -4.20 0.09 0.00 1.34 0.00 0.00 72.50 69.84 1jgn s THR 97 CO 0.63 0.18 0.87 1.33 -0.54 0.00 0.00 174.62 177.09