#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 0.84 0.00 1.61 0.11 -2.07 -3.44 132.00 129.04 1jgn h PRO 2 Ca 0.00 -0.05 -0.36 0.00 0.11 0.00 0.00 66.00 65.70 1jgn h PRO 2 Cb 0.00 -0.19 0.17 0.00 0.11 0.00 0.00 31.00 31.09 1jgn h PRO 2 CO 0.00 0.55 0.17 1.28 -0.21 0.00 0.00 178.00 179.80 1jgn n LEU 3 N -4.65 0.00 -1.78 2.35 4.77 -1.26 -4.90 117.00 111.53 1jgn n LEU 3 Ca 0.06 -1.10 -0.12 0.00 -0.03 0.00 0.00 56.01 54.82 1jgn n LEU 3 Cb 0.04 -0.90 0.03 0.00 -2.33 0.00 0.00 43.42 40.26 1jgn n LEU 3 CO 0.35 -1.86 1.15 0.61 -1.33 0.00 0.00 177.39 176.30 1jgn n GLY 4 N -3.66 3.64 3.83 -0.72 0.00 -1.26 -4.94 105.19 102.08 1jgn n GLY 4 Ca 0.14 -0.79 -0.32 0.00 0.00 0.00 0.00 46.02 45.06 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 0.66 5.76 0.00 1.61 1.04 -1.26 -4.63 113.70 116.89 1jgn s SER 5 Ca 0.22 1.63 0.00 0.00 0.48 0.00 0.00 55.95 58.28 1jgn s SER 5 Cb 0.18 -2.50 0.00 0.00 0.10 0.00 0.00 66.02 63.79 1jgn s SER 5 CO -0.00 -1.19 0.00 -2.65 0.98 0.00 0.00 173.24 170.38 1jgn n PRO 6 N -2.62 1.02 -0.01 4.02 -0.02 -1.26 -4.93 135.00 131.20 1jgn n PRO 6 Ca 0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1jgn n PRO 6 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 1jgn n PRO 6 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jgn n LEU 7 N 0.00 0.00 0.01 2.45 4.77 -1.26 -4.94 117.00 118.02 1jgn n LEU 7 Ca 0.00 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.86 1jgn n LEU 7 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1jgn n LEU 7 CO 0.00 -0.09 -0.45 0.00 -1.33 0.00 0.00 177.39 175.51 1jgn h THR 8 N -0.17 0.97 -0.43 -5.08 1.03 -1.96 -3.10 112.91 104.16 1jgn h THR 8 Ca 0.00 -2.75 0.03 0.00 -0.01 0.00 0.00 66.41 63.69 1jgn h THR 8 Cb 0.00 2.55 -0.02 0.00 -1.07 0.00 0.00 68.15 69.60 1jgn h THR 8 CO 0.00 0.67 0.29 0.00 -0.01 0.00 0.00 175.52 176.47 1jgn h ALA 9 N 0.76 1.84 -0.07 0.00 0.00 -1.95 0.18 119.26 120.03 1jgn h ALA 9 Ca -0.27 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.42 1jgn h ALA 9 Cb 1.99 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 1jgn h ALA 9 CO 0.10 0.11 -0.79 1.03 0.00 0.00 0.00 179.25 179.70 1jgn h SER 10 N 0.45 0.56 -0.40 0.00 0.87 -1.94 -3.05 113.55 110.05 1jgn h SER 10 Ca 0.18 -0.39 -0.06 0.00 -1.23 0.00 0.00 61.79 60.29 1jgn h SER 10 Cb 0.14 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 1jgn h SER 10 CO -0.04 1.15 0.05 0.24 -0.53 0.00 0.00 176.83 177.70 1jgn h MET 11 N 0.30 0.75 -0.09 2.24 2.86 -0.89 -0.60 114.93 119.49 1jgn h MET 11 Ca -0.05 -0.17 0.04 0.00 -2.06 0.00 0.00 59.70 57.46 1jgn h MET 11 Cb 1.39 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 32.89 1jgn h MET 11 CO 0.14 0.73 -0.26 -0.07 1.06 0.00 0.00 176.91 178.51 1jgn h LEU 12 N 0.71 -0.78 -1.70 1.22 3.38 -0.64 0.57 115.31 118.07 1jgn h LEU 12 Ca 0.15 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.20 1jgn h LEU 12 Cb 0.36 0.34 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1jgn h LEU 12 CO 0.01 -0.31 -0.16 0.00 0.09 0.00 0.00 178.44 178.07 1jgn h ALA 13 N 0.56 1.25 -0.71 1.53 0.00 -1.48 -2.53 119.26 117.87 1jgn h ALA 13 Ca 0.09 -0.15 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 1jgn h ALA 13 Cb 0.47 -0.03 -0.13 0.00 0.00 0.00 0.00 17.79 18.11 1jgn h ALA 13 CO -0.29 0.20 0.26 0.45 0.00 0.00 0.00 179.25 179.88 1jgn n SER 14 N -3.64 4.62 -3.11 0.00 2.88 0.37 -4.54 113.62 110.21 1jgn n SER 14 Ca -0.01 -3.27 -0.20 0.00 -1.33 0.00 0.00 58.87 54.05 1jgn n SER 14 Cb 0.29 -0.74 -0.03 0.00 -0.75 0.00 0.00 64.21 62.98 1jgn n SER 14 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jgn n ALA 15 N -0.28 2.79 0.12 -1.46 0.00 0.17 -4.92 120.51 116.93 1jgn n ALA 15 Ca 0.41 -3.77 -0.13 0.00 0.00 0.00 0.00 53.44 49.95 1jgn n ALA 15 Cb 1.37 -0.87 -0.06 0.00 0.00 0.00 0.00 19.45 19.88 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 2.99 -0.32 0.00 0.00 0.11 -1.80 -3.40 132.00 129.59 1jgn h PRO 16 Ca 0.11 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1jgn h PRO 16 Cb 0.84 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1jgn h PRO 16 CO 0.59 -0.21 0.00 -0.35 -0.21 0.00 0.00 178.00 177.82 1jgn n PRO 17 N -5.27 0.81 -1.24 1.05 -0.04 -1.26 -4.78 135.00 124.26 1jgn n PRO 17 Ca -0.07 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.00 1jgn n PRO 17 Cb 0.19 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.62 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 -0.14 2.12 -0.20 0.54 6.02 -1.26 -4.42 117.38 120.04 1jgn n GLN 18 Ca 0.00 -2.00 0.09 0.00 -0.01 0.00 0.00 57.00 55.08 1jgn n GLN 18 Cb 0.00 -2.92 0.20 0.00 1.02 0.00 0.00 30.24 28.54 1jgn n GLN 18 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1jgn n GLU 19 N 6.02 2.41 -0.14 -1.09 4.07 -1.26 -4.65 120.64 125.99 1jgn n GLU 19 Ca 0.52 -2.17 -0.08 0.00 -0.06 0.00 0.00 57.16 55.37 1jgn n GLU 19 Cb 0.34 -1.42 -0.02 0.00 -0.06 0.00 0.00 31.44 30.28 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 3.51 -0.25 -0.27 5.31 -0.00 -1.82 0.18 115.11 121.77 1jgn h GLN 20 Ca 0.00 0.02 0.08 0.00 -0.00 0.00 0.00 58.65 58.74 1jgn h GLN 20 Cb 0.86 0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 28.38 1jgn h GLN 20 CO 0.00 -0.16 0.27 1.57 -0.00 0.00 0.00 178.83 180.51 1jgn h LYS 21 N -0.26 0.00 0.00 0.06 5.09 -1.80 0.27 116.57 119.93 1jgn h LYS 21 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.91 1jgn h LYS 21 Cb 0.56 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.89 1jgn h LYS 21 CO -0.58 0.00 0.00 0.94 -2.09 0.00 0.00 179.45 177.72 1jgn n GLN 22 N -3.89 0.00 0.00 0.07 -0.06 0.60 -4.14 117.38 109.97 1jgn n GLN 22 Ca 0.04 0.16 0.00 0.00 -2.00 0.00 0.00 57.00 55.20 1jgn n GLN 22 Cb 0.42 -0.85 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 -0.99 0.00 0.00 3.69 0.00 -1.06 -4.22 117.12 114.54 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 -0.10 0.09 0.00 0.00 0.00 0.00 33.22 33.21 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 -4.77 117.00 114.18 1jgn n LEU 24 Ca 0.00 0.10 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 1jgn n LEU 24 Cb 0.00 -0.10 0.00 0.00 -0.00 0.00 0.00 43.42 43.32 1jgn n LEU 24 CO 0.00 -0.09 0.00 0.61 -0.00 0.00 0.00 177.39 177.91 1jgn n GLY 25 N -0.87 2.82 0.00 1.47 0.00 0.95 -1.09 105.19 108.47 1jgn n GLY 25 Ca 0.02 0.10 -0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.00 0.00 1.61 3.07 -1.83 -3.08 114.58 114.34 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 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1jgn h GLU 26 CO 0.00 -0.00 -0.00 -2.13 -1.40 0.00 0.00 179.01 175.48 1jgn n ARG 27 N -2.03 0.00 0.00 2.33 3.00 -0.82 -4.88 116.66 114.26 1jgn n ARG 27 Ca -0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1jgn n ARG 27 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 32.46 32.45 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 -0.31 6.15 7.99 -0.25 -3.42 117.00 127.16 1jgn n LEU 28 Ca 0.00 0.68 0.05 0.00 -0.01 0.00 0.00 56.01 56.73 1jgn n LEU 28 Cb 0.50 -0.18 0.13 0.00 -0.11 0.00 0.00 43.42 43.76 1jgn n LEU 28 CO 0.00 -0.18 0.57 0.33 -1.51 0.00 0.00 177.39 176.61 1jgn n PHE 29 N -1.12 0.32 -0.24 -1.77 -0.00 -1.23 -0.94 117.46 112.47 1jgn n PHE 29 Ca 0.00 1.05 -0.01 0.00 -0.00 0.00 0.00 57.45 58.49 1jgn n PHE 29 Cb 0.00 -1.01 0.11 0.00 -0.00 0.00 0.00 39.48 38.58 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 0.71 -0.09 -7.13 0.11 -1.85 1.52 132.00 125.27 1jgn h PRO 30 Ca 0.42 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.44 1jgn h PRO 30 Cb 0.65 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 1jgn h PRO 30 CO -0.89 0.47 -0.13 -0.07 -0.21 0.00 0.00 178.00 177.18 1jgn h LEU 31 N 0.73 0.26 -0.22 2.35 3.38 -1.06 -2.80 115.31 117.95 1jgn h LEU 31 Ca 0.31 -0.53 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1jgn h LEU 31 Cb 0.19 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1jgn h LEU 31 CO -0.18 0.74 0.00 -0.38 0.09 0.00 0.00 178.44 178.70 1jgn n ILE 32 N -4.62 0.62 -0.29 1.22 5.41 -0.85 -2.56 119.36 118.29 1jgn n ILE 32 Ca -0.07 0.01 -0.04 0.00 1.00 0.00 0.00 62.75 63.64 1jgn n ILE 32 Cb 0.36 -0.81 0.10 0.00 -0.71 0.00 0.00 39.64 38.57 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 1.17 -0.11 0.38 5.75 0.24 1.41 115.11 123.95 1jgn h GLN 33 Ca 0.00 -0.18 -0.08 0.00 -0.15 0.00 0.00 58.65 58.24 1jgn h GLN 33 Cb 0.51 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.84 1jgn h GLN 33 CO 0.00 0.92 -0.27 0.00 -2.65 0.00 0.00 178.83 176.82 1jgn h ALA 34 N 1.24 1.33 -0.85 3.38 0.00 -1.46 -1.88 119.26 121.03 1jgn h ALA 34 Ca 0.28 -0.30 -0.36 0.00 0.00 0.00 0.00 54.91 54.52 1jgn h ALA 34 Cb 0.15 -0.08 -0.22 0.00 0.00 0.00 0.00 17.79 17.64 1jgn h ALA 34 CO -0.03 0.46 0.44 -1.33 0.00 0.00 0.00 179.25 178.79 1jgn n MET 35 N -4.15 2.95 0.06 0.00 2.81 0.24 -4.62 117.12 114.41 1jgn n MET 35 Ca -0.01 -3.06 0.01 0.00 -1.81 0.00 0.00 57.70 52.83 1jgn n MET 35 Cb 0.37 -2.19 0.35 0.00 -0.71 0.00 0.00 33.22 31.04 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 1.81 0.39 -1.68 2.03 -0.00 0.27 -3.12 115.15 114.85 1jgn h HIS 36 Ca 0.44 -0.04 0.49 0.00 -0.00 0.00 0.00 60.37 61.27 1jgn h HIS 36 Cb 2.57 -0.11 -0.07 0.00 -0.00 0.00 0.00 27.41 29.80 1jgn h HIS 36 CO 1.43 0.44 1.20 -2.30 -0.00 0.00 0.00 177.93 178.71 1jgn n PRO 37 N -4.28 -0.00 0.00 5.12 -0.02 -1.26 -2.14 135.00 132.41 1jgn n PRO 37 Ca 0.00 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 1jgn n PRO 37 Cb 0.25 -2.16 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 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 -3.70 0.00 -2.67 3.45 -1.04 -1.18 -4.99 114.28 104.15 1jgn n THR 38 Ca 0.38 0.06 -0.05 0.00 -2.04 0.00 0.00 64.05 62.41 1jgn n THR 38 Cb 1.72 -0.15 0.04 0.00 -1.82 0.00 0.00 70.33 70.12 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 -0.24 -1.43 -0.39 -4.42 7.94 -0.91 -5.01 117.00 112.54 1jgn n LEU 39 Ca 0.00 -2.39 0.36 0.00 -1.11 0.00 0.00 56.01 52.87 1jgn n LEU 39 Cb 0.00 0.62 0.63 0.00 0.53 0.00 0.00 43.42 45.20 1jgn n LEU 39 CO 0.00 1.45 1.13 0.00 -1.11 0.00 0.00 177.39 178.86 1jgn n ALA 40 N -0.42 1.18 -0.10 1.96 0.00 -1.24 -1.16 120.51 120.73 1jgn n ALA 40 Ca -0.17 0.95 -0.09 0.00 0.00 0.00 0.00 53.44 54.13 1jgn n ALA 40 Cb 0.72 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 19.10 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 -0.43 1.67 0.00 0.00 -1.91 -1.61 103.07 100.79 1jgn h GLY 41 Ca 0.86 0.48 -0.24 0.00 0.00 0.00 0.00 47.33 48.43 1jgn h GLY 41 CO -0.63 -0.20 -1.08 1.70 0.00 0.00 0.00 176.54 176.33 1jgn h LYS 42 N -0.32 0.26 0.13 4.80 1.63 -1.58 -3.33 116.57 118.16 1jgn h LYS 42 Ca 0.14 -0.37 0.02 0.00 -0.85 0.00 0.00 60.65 59.59 1jgn h LYS 42 Cb 0.57 0.13 -0.04 0.00 -0.60 0.00 0.00 32.23 32.28 1jgn h LYS 42 CO -0.53 1.12 -0.33 0.82 -3.45 0.00 0.00 179.45 177.08 1jgn h ILE 43 N 0.11 0.29 -0.67 2.00 2.04 -1.09 -2.28 117.51 117.91 1jgn h ILE 43 Ca -0.09 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.91 1jgn h ILE 43 Cb 1.77 0.29 -0.12 0.00 -0.74 0.00 0.00 36.82 38.02 1jgn h ILE 43 CO 0.17 0.00 -0.10 0.00 0.00 0.00 0.00 178.15 178.23 1jgn h THR 44 N -0.56 0.37 -0.41 -0.27 1.03 -1.44 -0.68 112.91 110.94 1jgn h THR 44 Ca 0.03 -0.01 0.09 0.00 -0.01 0.00 0.00 66.41 66.50 1jgn h THR 44 Cb 0.59 0.32 -0.09 0.00 -1.07 0.00 0.00 68.15 67.91 1jgn h THR 44 CO -0.19 0.01 -0.18 1.23 -0.01 0.00 0.00 175.52 176.37 1jgn h GLY 45 N 0.04 0.14 0.11 2.99 0.00 -1.54 0.44 103.07 105.26 1jgn h GLY 45 Ca 0.34 0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.90 1jgn h GLY 45 CO -0.65 -0.19 -0.10 -0.33 0.00 0.00 0.00 176.54 175.27 1jgn h MET 46 N -0.10 -0.20 -0.04 4.80 2.86 -0.73 -2.55 114.93 118.96 1jgn h MET 46 Ca 0.20 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1jgn h MET 46 Cb 0.41 0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.12 1jgn h MET 46 CO -0.48 -0.14 0.00 1.28 1.06 0.00 0.00 176.91 178.63 1jgn n LEU 47 N -2.87 0.04 0.26 1.22 7.99 -0.91 -3.37 117.00 119.36 1jgn n LEU 47 Ca -0.03 -0.02 0.12 0.00 -0.01 0.00 0.00 56.01 56.08 1jgn n LEU 47 Cb 0.09 -0.02 0.68 0.00 -0.11 0.00 0.00 43.42 44.07 1jgn n LEU 47 CO 0.06 0.01 0.95 0.25 -1.51 0.00 0.00 177.39 177.14 1jgn h LEU 48 N 0.02 0.00 -1.24 2.23 7.12 0.34 -2.49 115.31 121.29 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 0.02 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.15 1jgn h LEU 48 CO 0.00 0.14 0.00 -0.62 -0.13 0.00 0.00 178.44 177.83 1jgn n GLU 49 N -3.56 0.73 -2.15 1.25 1.02 -1.22 -4.67 120.64 112.04 1jgn n GLU 49 Ca -0.01 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.85 1jgn n GLU 49 Cb 0.27 -1.31 0.05 0.00 -0.02 0.00 0.00 31.44 30.44 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 -0.70 3.01 0.65 -3.67 2.07 -0.94 -5.05 121.20 116.57 1jgn s ILE 50 Ca 0.00 0.04 -0.15 0.00 -1.41 0.00 0.00 60.65 59.14 1jgn s ILE 50 Cb 0.00 -3.27 -0.01 0.00 0.13 0.00 0.00 42.46 39.31 1jgn s ILE 50 CO 0.00 -0.31 1.10 -1.81 -1.91 0.00 0.00 174.94 172.00 1jgn s ASP 51 N -4.41 5.23 0.08 4.50 1.01 -1.26 -4.96 116.67 116.85 1jgn s ASP 51 Ca 0.58 1.94 0.09 0.00 0.71 0.00 0.00 52.55 55.87 1jgn s ASP 51 Cb -0.11 -2.54 -0.20 0.00 1.01 0.00 0.00 42.92 41.08 1jgn s ASP 51 CO 0.47 -1.55 1.10 0.78 0.21 0.00 0.00 175.17 176.18 1jgn h ASN 52 N 0.05 0.00 0.55 0.27 4.21 -1.96 -2.13 115.58 116.56 1jgn h ASN 52 Ca -0.47 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 56.88 1jgn h ASN 52 Cb 1.24 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.42 1jgn h ASN 52 CO 0.55 0.96 -0.73 -1.28 -1.29 0.00 0.00 177.43 175.64 1jgn h SER 53 N 0.00 0.18 1.25 5.81 0.87 -2.01 -3.07 113.55 116.58 1jgn h SER 53 Ca -0.09 -0.12 -0.15 0.00 -1.23 0.00 0.00 61.79 60.20 1jgn h SER 53 Cb 1.81 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 63.70 1jgn h SER 53 CO 0.11 0.85 -0.70 -0.33 -0.53 0.00 0.00 176.83 176.23 1jgn h GLU 54 N 0.10 0.00 -0.35 2.24 5.08 -1.95 -3.19 114.58 116.51 1jgn h GLU 54 Ca -0.02 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1jgn h GLU 54 Cb 1.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.52 1jgn h GLU 54 CO 0.11 0.70 0.21 1.37 -1.00 0.00 0.00 179.01 180.40 1jgn h LEU 55 N 0.00 0.36 -0.47 1.33 8.10 -1.28 -1.17 115.31 122.17 1jgn h LEU 55 Ca -0.01 -0.00 -0.01 0.00 0.11 0.00 0.00 57.88 57.98 1jgn h LEU 55 Cb 1.51 -0.08 -0.02 0.00 -0.44 0.00 0.00 40.66 41.63 1jgn h LEU 55 CO 0.09 0.26 0.27 0.25 -4.11 0.00 0.00 178.44 175.20 1jgn h LEU 56 N 0.44 0.58 -0.98 0.17 6.46 -1.60 -2.43 115.31 117.95 1jgn h LEU 56 Ca 0.13 -0.07 0.07 0.00 -0.12 0.00 0.00 57.88 57.89 1jgn h LEU 56 Cb -0.02 -0.15 -0.07 0.00 -0.73 0.00 0.00 40.66 39.70 1jgn h LEU 56 CO -0.05 0.48 0.63 -0.74 -0.62 0.00 0.00 178.44 178.14 1jgn h HIS 57 N 0.63 1.16 -0.78 1.25 2.76 -1.44 -1.45 115.15 117.28 1jgn h HIS 57 Ca 0.17 0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.40 1jgn h HIS 57 Cb 0.02 -0.38 -0.05 0.00 1.55 0.00 0.00 27.41 28.55 1jgn h HIS 57 CO -0.02 0.59 0.50 0.52 -1.30 0.00 0.00 177.93 178.22 1jgn h MET 58 N 1.13 0.96 0.00 5.26 2.86 -0.74 0.21 114.93 124.61 1jgn h MET 58 Ca 0.43 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.99 1jgn h MET 58 Cb 0.19 -0.22 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 1jgn h MET 58 CO -0.18 0.63 -0.09 1.25 1.06 0.00 0.00 176.91 179.59 1jgn h LEU 59 N 0.99 0.00 -2.01 1.22 6.46 -0.97 -1.75 115.31 119.25 1jgn h LEU 59 Ca 0.31 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.07 1jgn h LEU 59 Cb -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1jgn h LEU 59 CO -0.10 0.09 0.00 -0.62 -0.62 0.00 0.00 178.44 177.18 1jgn n GLU 60 N -3.64 1.84 -3.75 1.25 1.02 -0.37 -4.70 120.64 112.27 1jgn n GLU 60 Ca -0.02 -1.79 -0.28 0.00 -0.02 0.00 0.00 57.16 55.05 1jgn n GLU 60 Cb 0.20 -1.36 -0.11 0.00 -0.02 0.00 0.00 31.44 30.15 1jgn n GLU 60 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1jgn n SER 61 N 1.03 2.71 -0.11 1.62 7.64 0.62 -4.94 113.62 122.19 1jgn n SER 61 Ca 0.13 -3.15 0.07 0.00 1.01 0.00 0.00 58.87 56.93 1jgn n SER 61 Cb 0.47 -0.72 0.41 0.00 -1.01 0.00 0.00 64.21 63.36 1jgn n SER 61 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1jgn h PRO 62 N 5.18 0.59 0.05 1.43 0.13 -1.84 0.34 132.00 137.88 1jgn h PRO 62 Ca 0.17 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 65.17 1jgn h PRO 62 Cb 0.76 -0.13 0.01 0.00 0.13 0.00 0.00 31.00 31.76 1jgn h PRO 62 CO 0.69 0.39 -0.40 0.93 -0.23 0.00 0.00 178.00 179.38 1jgn h GLU 63 N 0.60 0.19 0.12 0.86 4.39 -1.92 -3.08 114.58 115.74 1jgn h GLU 63 Ca 0.26 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1jgn h GLU 63 Cb 0.26 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1jgn h GLU 63 CO -0.08 1.07 -0.06 0.77 -1.16 0.00 0.00 179.01 179.55 1jgn h SER 64 N -0.56 -0.14 0.70 1.42 0.02 -1.89 -3.08 113.55 110.02 1jgn h SER 64 Ca -0.06 -0.42 -0.03 0.00 -0.84 0.00 0.00 61.79 60.44 1jgn h SER 64 Cb 1.25 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 1jgn h SER 64 CO 0.08 0.44 -0.45 0.25 -1.14 0.00 0.00 176.83 176.00 1jgn h LEU 65 N -0.81 -1.14 -1.38 5.07 7.12 -0.52 -0.41 115.31 123.24 1jgn h LEU 65 Ca -0.02 0.07 0.22 0.00 0.13 0.00 0.00 57.88 58.28 1jgn h LEU 65 Cb 0.55 0.34 -0.08 0.00 -0.53 0.00 0.00 40.66 40.94 1jgn h LEU 65 CO 0.03 -0.68 0.63 -0.09 -0.13 0.00 0.00 178.44 178.19 1jgn h ARG 66 N -1.09 0.45 -0.26 1.25 2.43 -1.66 0.59 114.38 116.10 1jgn h ARG 66 Ca -0.09 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 58.92 1jgn h ARG 66 Cb 0.88 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 1jgn h ARG 66 CO 0.08 0.30 -0.39 0.77 -1.51 0.00 0.00 179.97 179.22 1jgn h SER 67 N 0.47 0.64 0.45 -3.80 0.02 -1.36 0.15 113.55 110.11 1jgn h SER 67 Ca 0.53 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1jgn h SER 67 Cb 1.23 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.60 1jgn h SER 67 CO -0.25 0.96 -0.22 0.50 -1.14 0.00 0.00 176.83 176.68 1jgn h LYS 68 N 0.50 -0.59 0.00 3.45 3.64 0.18 -2.76 116.57 120.99 1jgn h LYS 68 Ca 0.04 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1jgn h LYS 68 Cb 0.90 0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1jgn h LYS 68 CO 0.08 -0.28 -0.03 0.28 -2.27 0.00 0.00 179.45 177.22 1jgn h VAL 69 N -0.90 0.14 -0.46 2.00 2.07 -0.86 -2.29 116.25 115.95 1jgn h VAL 69 Ca -0.06 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.22 1jgn h VAL 69 Cb 0.58 1.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.55 1jgn h VAL 69 CO 0.10 0.03 0.06 -0.78 0.02 0.00 0.00 177.57 177.00 1jgn h ASP 70 N 0.00 -0.07 0.18 0.57 1.82 -0.40 0.25 116.42 118.78 1jgn h ASP 70 Ca -0.00 0.09 -0.11 0.00 -0.39 0.00 0.00 57.03 56.62 1jgn h ASP 70 Cb 0.27 0.14 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 1jgn h ASP 70 CO 0.00 -0.00 -0.40 -0.08 -1.61 0.00 0.00 179.24 177.16 1jgn h GLU 71 N 0.18 0.29 -0.81 0.28 4.57 -1.38 -2.70 114.58 115.01 1jgn h GLU 71 Ca 0.23 -0.13 0.08 0.00 -1.18 0.00 0.00 59.36 58.36 1jgn h GLU 71 Cb 0.32 -0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.83 1jgn h GLU 71 CO -0.33 0.64 0.47 0.00 -1.18 0.00 0.00 179.01 178.61 1jgn h ALA 72 N 1.35 1.15 -0.16 2.92 0.00 -0.47 0.39 119.26 124.43 1jgn h ALA 72 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1jgn h ALA 72 Cb 0.81 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1jgn h ALA 72 CO 0.06 0.13 0.06 0.28 0.00 0.00 0.00 179.25 179.78 1jgn h VAL 73 N 0.81 1.07 -0.10 0.00 2.07 -0.33 -1.91 116.25 117.86 1jgn h VAL 73 Ca 0.38 -0.21 -0.20 0.00 0.82 0.00 0.00 66.70 67.50 1jgn h VAL 73 Cb 0.31 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1jgn h VAL 73 CO -0.23 0.08 -0.74 0.00 0.02 0.00 0.00 177.57 176.70 1jgn h ALA 74 N 1.85 0.51 -0.19 1.67 0.00 -0.23 -3.00 119.26 119.88 1jgn h ALA 74 Ca 0.06 -0.61 0.05 0.00 0.00 0.00 0.00 54.91 54.42 1jgn h ALA 74 Cb 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jgn h ALA 74 CO -0.01 0.74 0.15 -0.39 0.00 0.00 0.00 179.25 179.75 1jgn h VAL 75 N 0.35 0.73 0.18 0.00 -1.51 -0.09 -1.48 116.25 114.44 1jgn h VAL 75 Ca -0.04 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.42 1jgn h VAL 75 Cb 1.33 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 1jgn h VAL 75 CO 0.14 0.00 -0.09 -0.07 -1.23 0.00 0.00 177.57 176.32 1jgn h LEU 76 N 0.00 -0.21 -1.54 4.19 -0.00 -1.45 0.12 115.31 116.43 1jgn h LEU 76 Ca 0.09 -0.32 0.23 0.00 -0.00 0.00 0.00 57.88 57.87 1jgn h LEU 76 Cb 0.40 0.05 -0.07 0.00 -0.00 0.00 0.00 40.66 41.04 1jgn h LEU 76 CO -0.00 0.31 0.63 1.56 -0.00 0.00 0.00 178.44 180.93 1jgn h GLN 77 N -0.83 0.34 0.02 1.13 1.08 -1.32 0.41 115.11 115.95 1jgn h GLN 77 Ca -0.03 -0.02 -0.23 0.00 -1.45 0.00 0.00 58.65 56.92 1jgn h GLN 77 Cb 0.52 -0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.85 1jgn h GLN 77 CO 0.04 0.23 -1.15 0.00 -0.95 0.00 0.00 178.83 177.00 1jgn h ALA 78 N 1.60 0.37 -0.05 3.87 0.00 -1.26 -3.04 119.26 120.75 1jgn h ALA 78 Ca 0.50 -0.99 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1jgn h ALA 78 Cb 1.33 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1jgn h ALA 78 CO -0.18 1.25 -0.20 1.25 0.00 0.00 0.00 179.25 181.37 1jgn h HIS 79 N 0.01 0.08 0.20 0.00 -0.00 0.26 0.11 115.15 115.81 1jgn h HIS 79 Ca -0.07 -0.01 -0.34 0.00 -0.00 0.00 0.00 60.37 59.95 1jgn h HIS 79 Cb 1.84 -0.02 0.02 0.00 -0.00 0.00 0.00 27.41 29.24 1jgn h HIS 79 CO 0.01 0.28 -1.62 1.96 -0.00 0.00 0.00 177.93 178.56 1jgn h GLN 80 N 0.07 0.42 0.03 5.26 4.20 -1.27 -3.25 115.11 120.57 1jgn h GLN 80 Ca 0.01 -0.72 -0.00 0.00 0.06 0.00 0.00 58.65 58.00 1jgn h GLN 80 Cb 0.40 0.27 0.00 0.00 0.30 0.00 0.00 27.48 28.45 1jgn h GLN 80 CO 0.03 1.34 -0.01 0.00 -0.67 0.00 0.00 178.83 179.52 1jgn h ALA 81 N 0.10 -0.04 -0.18 3.87 0.00 -1.41 -2.27 119.26 119.33 1jgn h ALA 81 Ca -0.31 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.36 1jgn h ALA 81 Cb 2.07 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 1jgn h ALA 81 CO 0.19 -0.05 0.12 0.87 0.00 0.00 0.00 179.25 180.38 1jgn h LYS 82 N -0.98 0.17 0.09 0.00 1.79 -1.00 0.71 116.57 117.35 1jgn h LYS 82 Ca -0.00 -0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.31 1jgn h LYS 82 Cb 0.52 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.14 1jgn h LYS 82 CO 0.01 0.11 -0.70 1.49 -1.08 0.00 0.00 179.45 179.28 1jgn h GLU 83 N 0.17 0.20 -0.01 3.15 4.81 -1.68 -3.28 114.58 117.95 1jgn h GLU 83 Ca 0.07 -0.34 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1jgn h GLU 83 Cb 0.08 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.58 1jgn h GLU 83 CO -0.01 1.16 0.00 0.00 -0.73 0.00 0.00 179.01 179.43 1jgn n ALA 84 N -2.73 2.53 -0.03 2.92 0.00 -0.85 -3.76 120.51 118.59 1jgn n ALA 84 Ca -0.15 -0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 1jgn n ALA 84 Cb 0.74 -1.09 -0.11 0.00 0.00 0.00 0.00 19.45 18.99 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 3.18 -0.00 0.00 0.00 0.00 -0.92 -3.22 119.26 118.31 1jgn h ALA 85 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1jgn h ALA 85 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1jgn h ALA 85 CO 0.00 -0.17 0.00 1.96 0.00 0.00 0.00 179.25 181.04 1jgn h GLN 86 N -0.65 0.00 0.00 0.00 4.20 -1.77 -3.43 115.11 113.46 1jgn h GLN 86 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jgn h GLN 86 Cb 0.65 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.43 1jgn h GLN 86 CO 0.00 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.79 1jgn n LYS 87 N -2.32 0.43 -2.17 1.46 5.02 -1.21 -4.90 118.16 114.46 1jgn n LYS 87 Ca 0.04 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.03 1jgn n LYS 87 Cb 0.37 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.33 1jgn n LYS 87 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jgn s ALA 88 N -3.67 2.03 0.27 7.82 0.00 -1.26 -4.95 121.76 122.01 1jgn s ALA 88 Ca 0.00 -2.09 -0.22 0.00 0.00 0.00 0.00 51.96 49.65 1jgn s ALA 88 Cb 0.00 -4.63 -0.09 0.00 0.00 0.00 0.00 23.12 18.40 1jgn s ALA 88 CO 0.00 -4.74 0.82 0.54 0.00 0.00 0.00 175.76 172.38 1jgn s VAL 89 N 9.40 4.43 -1.84 0.00 0.11 -1.26 -4.95 120.40 126.29 1jgn s VAL 89 Ca 0.65 1.49 0.04 0.00 -2.93 0.00 0.00 61.98 61.24 1jgn s VAL 89 Cb -0.02 -3.90 0.14 0.00 -1.53 0.00 0.00 36.38 31.07 1jgn s VAL 89 CO 0.07 0.16 1.06 0.59 -3.33 0.00 0.00 175.10 173.65 1jgn n ASN 90 N 0.59 0.97 -4.75 3.54 5.03 -1.26 -4.86 115.26 114.53 1jgn n ASN 90 Ca -0.00 -2.03 -0.40 0.00 0.87 0.00 0.00 54.58 53.02 1jgn n ASN 90 Cb 0.51 -0.16 -0.05 0.00 -1.02 0.00 0.00 39.78 39.05 1jgn n ASN 90 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1jgn s SER 91 N -0.88 7.30 -0.46 6.41 0.15 -1.26 -5.01 113.70 119.94 1jgn s SER 91 Ca 0.10 1.55 -0.29 0.00 0.70 0.00 0.00 55.95 58.01 1jgn s SER 91 Cb 0.06 -2.49 0.02 0.00 -1.71 0.00 0.00 66.02 61.90 1jgn s SER 91 CO 0.06 0.05 1.26 0.00 1.20 0.00 0.00 173.24 175.82 1jgn s ALA 92 N -0.33 3.09 -0.00 5.45 0.00 -1.26 -5.01 121.76 123.69 1jgn s ALA 92 Ca 0.39 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1jgn s ALA 92 Cb -0.22 -3.93 -0.04 0.00 0.00 0.00 0.00 23.12 18.94 1jgn s ALA 92 CO 0.25 -2.37 0.03 0.99 0.00 0.00 0.00 175.76 174.65 1jgn s THR 93 N 4.94 4.33 -0.15 0.00 2.01 -1.26 -5.05 115.64 120.46 1jgn s THR 93 Ca 0.53 -0.54 -0.11 0.00 0.31 0.00 0.00 61.69 61.88 1jgn s THR 93 Cb -0.10 -2.95 -0.04 0.00 0.01 0.00 0.00 72.50 69.43 1jgn s THR 93 CO 0.32 0.37 -0.19 0.61 -0.69 0.00 0.00 174.62 175.03 1jgn n GLY 94 N 1.33 -0.90 3.18 4.40 0.00 -1.26 -4.80 105.19 107.14 1jgn n GLY 94 Ca -0.14 -0.18 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.33 4.25 -0.01 1.61 -7.23 -1.26 -5.06 120.40 110.37 1jgn s VAL 95 Ca -0.17 -2.41 -0.32 0.00 -1.81 0.00 0.00 61.98 57.27 1jgn s VAL 95 Cb 0.02 -3.75 -0.10 0.00 0.56 0.00 0.00 36.38 33.11 1jgn s VAL 95 CO 0.26 -0.86 1.92 -2.65 -0.31 0.00 0.00 175.10 173.46 1jgn n PRO 96 N 4.13 2.57 -0.02 4.82 -0.02 -1.26 -4.85 135.00 140.37 1jgn n PRO 96 Ca 0.03 0.94 0.13 0.00 -2.02 0.00 0.00 63.50 62.58 1jgn n PRO 96 Cb 0.41 -2.85 0.62 0.00 -0.02 0.00 0.00 33.50 31.67 1jgn n PRO 96 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1jgn n THR 97 N 5.30 0.04 0.49 3.45 -2.24 -1.26 -5.26 114.28 114.81 1jgn n THR 97 Ca 0.21 -0.14 0.06 0.00 -2.27 0.00 0.00 64.05 61.91 1jgn n THR 97 Cb 0.36 -0.01 0.05 0.00 -2.10 0.00 0.00 70.33 68.63 1jgn n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02