#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 -1.57 -2.95 1.61 -0.02 -1.26 -4.91 135.00 125.90 1jgn n PRO 2 Ca 0.00 -0.42 -0.44 0.00 -2.02 0.00 0.00 63.50 60.62 1jgn n PRO 2 Cb 0.00 -2.07 -0.02 0.00 -0.02 0.00 0.00 33.50 31.39 1jgn n PRO 2 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jgn s LEU 3 N -4.99 5.17 -0.13 2.45 1.02 -1.26 -4.77 118.68 116.17 1jgn s LEU 3 Ca 0.64 -2.16 0.18 0.00 0.02 0.00 0.00 54.13 52.81 1jgn s LEU 3 Cb -0.21 -2.39 -0.25 0.00 0.02 0.00 0.00 46.19 43.36 1jgn s LEU 3 CO 0.64 -1.01 0.27 0.61 0.02 0.00 0.00 176.35 176.89 1jgn n GLY 4 N 5.29 -1.02 3.55 -3.19 0.00 -1.26 -4.85 105.19 103.71 1jgn n GLY 4 Ca 0.24 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1jgn n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1jgn s SER 5 N -5.42 6.42 0.65 1.61 0.15 -1.26 -5.05 113.70 110.80 1jgn s SER 5 Ca -0.08 -0.06 -0.16 0.00 0.70 0.00 0.00 55.95 56.35 1jgn s SER 5 Cb 0.08 -2.37 -0.01 0.00 -1.71 0.00 0.00 66.02 62.01 1jgn s SER 5 CO 0.84 -0.85 1.14 -2.16 1.20 0.00 0.00 173.24 173.41 1jgn s PRO 6 N 3.16 2.79 0.43 5.44 0.04 -1.26 -5.05 135.00 140.55 1jgn s PRO 6 Ca 0.29 1.53 -0.04 0.00 0.04 0.00 0.00 61.00 62.81 1jgn s PRO 6 Cb -0.13 -1.94 0.09 0.00 0.04 0.00 0.00 34.50 32.57 1jgn s PRO 6 CO 0.21 -1.28 0.59 1.28 0.04 0.00 0.00 177.00 177.84 1jgn n LEU 7 N -2.22 0.00 0.05 -3.56 4.32 -1.26 -5.01 117.00 109.32 1jgn n LEU 7 Ca 0.11 -0.92 -0.01 0.00 -0.02 0.00 0.00 56.01 55.17 1jgn n LEU 7 Cb 0.51 -0.42 -0.07 0.00 -1.62 0.00 0.00 43.42 41.82 1jgn n LEU 7 CO 0.46 -0.86 -0.16 0.00 -1.22 0.00 0.00 177.39 175.61 1jgn h THR 8 N -0.92 0.64 -0.91 -5.08 1.03 -1.97 -3.11 112.91 102.60 1jgn h THR 8 Ca -0.19 -2.15 0.02 0.00 -0.01 0.00 0.00 66.41 64.07 1jgn h THR 8 Cb 0.62 2.16 -0.05 0.00 -1.07 0.00 0.00 68.15 69.81 1jgn h THR 8 CO 0.17 0.37 0.60 0.00 -0.01 0.00 0.00 175.52 176.64 1jgn h ALA 9 N 1.38 1.17 -0.20 0.00 0.00 -1.95 0.21 119.26 119.87 1jgn h ALA 9 Ca -0.14 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 1jgn h ALA 9 Cb 1.59 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1jgn h ALA 9 CO 0.06 0.52 -0.28 1.03 0.00 0.00 0.00 179.25 180.58 1jgn h SER 10 N 1.21 0.40 -0.48 0.00 0.87 -1.96 -2.41 113.55 111.18 1jgn h SER 10 Ca 0.34 -0.14 -0.06 0.00 -1.23 0.00 0.00 61.79 60.71 1jgn h SER 10 Cb -0.10 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 1jgn h SER 10 CO -0.09 0.67 0.09 0.24 -0.53 0.00 0.00 176.83 177.22 1jgn h MET 11 N 0.35 0.84 -0.58 2.24 2.86 -0.95 -2.27 114.93 117.43 1jgn h MET 11 Ca 0.05 -0.19 0.09 0.00 -2.06 0.00 0.00 59.70 57.58 1jgn h MET 11 Cb 0.68 -0.12 -0.07 0.00 0.06 0.00 0.00 31.60 32.15 1jgn h MET 11 CO 0.05 0.78 0.21 -0.07 1.06 0.00 0.00 176.91 178.95 1jgn h LEU 12 N 0.80 0.21 -0.85 1.22 3.38 -0.15 -0.52 115.31 119.40 1jgn h LEU 12 Ca 0.17 0.07 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 1jgn h LEU 12 Cb 0.35 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1jgn h LEU 12 CO 0.01 0.13 -0.17 0.00 0.09 0.00 0.00 178.44 178.50 1jgn h ALA 13 N 1.39 1.03 -1.01 1.53 0.00 -1.43 -3.12 119.26 117.65 1jgn h ALA 13 Ca 0.29 -0.33 -0.73 0.00 0.00 0.00 0.00 54.91 54.14 1jgn h ALA 13 Cb 0.34 -0.15 -0.29 0.00 0.00 0.00 0.00 17.79 17.69 1jgn h ALA 13 CO -0.29 0.58 0.90 0.43 0.00 0.00 0.00 179.25 180.88 1jgn n SER 14 N -4.15 7.44 0.00 0.00 7.64 -0.32 -4.46 113.62 119.77 1jgn n SER 14 Ca 0.01 -3.82 0.00 0.00 1.01 0.00 0.00 58.87 56.07 1jgn n SER 14 Cb 0.38 -1.00 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 1jgn n SER 14 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jgn n ALA 15 N -0.66 2.13 -1.17 -0.43 0.00 -0.51 -4.91 120.51 114.96 1jgn n ALA 15 Ca 0.56 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.64 1jgn n ALA 15 Cb 0.40 0.17 0.05 0.00 0.00 0.00 0.00 19.45 20.08 1jgn n ALA 15 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1jgn n PRO 16 N -1.96 0.13 0.00 0.00 -0.02 -1.26 -4.00 135.00 127.89 1jgn n PRO 16 Ca 0.00 0.07 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1jgn n PRO 16 Cb 0.17 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 1jgn n PRO 16 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1jgn n PRO 17 N 0.34 0.00 -1.22 0.52 -0.02 -1.26 -4.85 135.00 128.52 1jgn n PRO 17 Ca 0.07 0.00 -0.37 0.00 -2.02 0.00 0.00 63.50 61.18 1jgn n PRO 17 Cb 0.51 -0.01 -0.03 0.00 -0.02 0.00 0.00 33.50 33.95 1jgn n PRO 17 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1jgn n GLN 18 N 0.00 2.39 -0.39 -0.52 6.02 -1.26 -4.44 117.38 119.18 1jgn n GLN 18 Ca 0.00 -2.00 0.08 0.00 -0.01 0.00 0.00 57.00 55.07 1jgn n GLN 18 Cb 0.00 -2.87 0.27 0.00 1.02 0.00 0.00 30.24 28.65 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 5.45 3.13 -0.13 -1.09 4.07 -1.26 -4.69 120.64 126.13 1jgn n GLU 19 Ca 0.54 -2.55 -0.10 0.00 -0.06 0.00 0.00 57.16 54.99 1jgn n GLU 19 Cb 0.30 -1.61 -0.05 0.00 -0.06 0.00 0.00 31.44 30.03 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 3.07 -0.31 -0.09 5.31 3.07 -1.82 0.22 115.11 124.55 1jgn h GLN 20 Ca 0.00 0.02 0.03 0.00 0.09 0.00 0.00 58.65 58.79 1jgn h GLN 20 Cb 1.11 0.07 -0.00 0.00 0.08 0.00 0.00 27.48 28.74 1jgn h GLN 20 CO 0.11 -0.21 0.22 1.57 0.09 0.00 0.00 178.83 180.61 1jgn h LYS 21 N -0.32 0.00 0.00 0.06 5.09 -1.82 0.84 116.57 120.42 1jgn h LYS 21 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.88 1jgn h LYS 21 Cb 0.58 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.91 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 -3.31 0.00 0.00 0.07 -0.06 0.74 -4.31 117.38 110.52 1jgn n GLN 22 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 1jgn n GLN 22 Cb 0.30 -0.67 0.00 0.00 -4.06 0.00 0.00 30.24 25.82 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 -0.51 0.00 0.00 3.69 0.00 -1.09 -4.23 117.12 114.98 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 -0.10 0.00 0.00 0.00 0.00 0.00 33.22 33.12 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 -4.77 117.00 114.17 1jgn n LEU 24 Ca 0.00 0.12 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 1jgn n LEU 24 Cb 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 1jgn n LEU 24 CO 0.00 -0.12 0.00 0.61 -0.00 0.00 0.00 177.39 177.88 1jgn n GLY 25 N -1.10 3.11 0.01 1.47 0.00 0.29 -1.06 105.19 107.90 1jgn n GLY 25 Ca 0.00 0.10 -0.00 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 -0.02 0.00 1.61 3.07 -1.87 -3.16 114.58 114.21 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 -0.01 -0.00 -2.13 -1.40 0.00 0.00 179.01 175.46 1jgn n ARG 27 N -2.25 0.00 0.00 2.33 3.00 -0.71 -4.90 116.66 114.13 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 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 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 -0.22 -3.43 117.00 127.17 1jgn n LEU 28 Ca 0.00 0.57 0.08 0.00 -0.01 0.00 0.00 56.01 56.65 1jgn n LEU 28 Cb 0.50 -0.07 0.17 0.00 -0.11 0.00 0.00 43.42 43.90 1jgn n LEU 28 CO 0.00 -0.07 0.61 0.33 -1.51 0.00 0.00 177.39 176.75 1jgn n PHE 29 N -0.78 0.39 -0.25 -1.77 -0.00 -1.24 -1.07 117.46 112.75 1jgn n PHE 29 Ca 0.00 1.06 -0.03 0.00 -0.00 0.00 0.00 57.45 58.47 1jgn n PHE 29 Cb 0.00 -1.05 0.08 0.00 -0.00 0.00 0.00 39.48 38.50 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 0.83 -0.10 -7.13 0.13 -1.84 1.02 132.00 124.92 1jgn h PRO 30 Ca 0.45 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 65.47 1jgn h PRO 30 Cb 0.78 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 31.73 1jgn h PRO 30 CO -0.87 0.55 -0.18 -0.07 -0.23 0.00 0.00 178.00 177.20 1jgn h LEU 31 N 0.86 0.33 -0.25 1.56 3.38 -1.12 -2.64 115.31 117.43 1jgn h LEU 31 Ca 0.28 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1jgn h LEU 31 Cb 0.01 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1jgn h LEU 31 CO -0.11 0.82 0.00 -0.38 0.09 0.00 0.00 178.44 178.86 1jgn n ILE 32 N -4.55 0.71 -0.30 1.22 5.41 -0.88 -2.33 119.36 118.63 1jgn n ILE 32 Ca -0.07 0.11 -0.05 0.00 1.00 0.00 0.00 62.75 63.74 1jgn n ILE 32 Cb 0.40 -0.91 0.07 0.00 -0.71 0.00 0.00 39.64 38.49 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 1.18 0.00 0.38 5.75 0.15 1.32 115.11 123.89 1jgn h GLN 33 Ca 0.00 -0.16 -0.08 0.00 -0.15 0.00 0.00 58.65 58.26 1jgn h GLN 33 Cb 0.41 -0.22 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 1jgn h GLN 33 CO 0.00 0.90 -0.38 0.00 -2.65 0.00 0.00 178.83 176.70 1jgn h ALA 34 N 1.22 1.37 -0.81 3.38 0.00 -1.44 -2.09 119.26 120.89 1jgn h ALA 34 Ca 0.29 -0.35 -0.34 0.00 0.00 0.00 0.00 54.91 54.51 1jgn h ALA 34 Cb 0.09 -0.06 -0.20 0.00 0.00 0.00 0.00 17.79 17.62 1jgn h ALA 34 CO -0.04 0.48 0.40 -1.33 0.00 0.00 0.00 179.25 178.76 1jgn n MET 35 N -4.08 2.89 0.12 0.00 2.81 0.29 -4.63 117.12 114.52 1jgn n MET 35 Ca -0.02 -3.06 0.03 0.00 -1.81 0.00 0.00 57.70 52.84 1jgn n MET 35 Cb 0.41 -2.16 0.41 0.00 -0.71 0.00 0.00 33.22 31.18 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 1.76 0.25 -1.39 2.03 -0.00 0.23 -3.09 115.15 114.95 1jgn h HIS 36 Ca 0.42 -0.02 0.43 0.00 -0.00 0.00 0.00 60.37 61.20 1jgn h HIS 36 Cb 2.50 -0.07 -0.08 0.00 -0.00 0.00 0.00 27.41 29.75 1jgn h HIS 36 CO 1.39 0.34 0.97 -2.30 -0.00 0.00 0.00 177.93 178.32 1jgn n PRO 37 N -4.31 -0.01 0.00 5.12 -0.02 -1.26 -2.08 135.00 132.43 1jgn n PRO 37 Ca -0.01 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 1jgn n PRO 37 Cb 0.24 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 -3.86 0.00 -2.69 3.45 -1.04 -1.17 -5.00 114.28 103.97 1jgn n THR 38 Ca 0.35 0.05 -0.05 0.00 -2.04 0.00 0.00 64.05 62.36 1jgn n THR 38 Cb 1.48 -0.15 0.10 0.00 -1.82 0.00 0.00 70.33 69.94 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 -0.07 -1.63 -0.37 -4.42 0.00 -0.89 -5.01 117.00 104.61 1jgn n LEU 39 Ca 0.00 -2.38 0.30 0.00 0.00 0.00 0.00 56.01 53.93 1jgn n LEU 39 Cb 0.00 0.88 0.61 0.00 0.00 0.00 0.00 43.42 44.91 1jgn n LEU 39 CO 0.00 1.73 1.25 0.00 0.00 0.00 0.00 177.39 180.38 1jgn h ALA 40 N 2.69 2.61 -0.10 1.96 0.00 -1.77 -1.78 119.26 122.88 1jgn h ALA 40 Ca -0.24 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1jgn h ALA 40 Cb 1.17 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1jgn h ALA 40 CO 0.02 -1.07 -0.26 0.78 0.00 0.00 0.00 179.25 178.72 1jgn h GLY 41 N 0.22 -0.33 1.31 0.00 0.00 -1.91 -1.46 103.07 100.90 1jgn h GLY 41 Ca 0.66 0.32 -0.30 0.00 0.00 0.00 0.00 47.33 48.01 1jgn h GLY 41 CO -0.26 -0.21 -1.25 1.70 0.00 0.00 0.00 176.54 176.53 1jgn h LYS 42 N -0.35 0.56 -0.01 4.80 1.63 -1.78 -3.26 116.57 118.17 1jgn h LYS 42 Ca 0.09 -0.77 0.03 0.00 -0.85 0.00 0.00 60.65 59.15 1jgn h LYS 42 Cb 0.48 0.26 -0.05 0.00 -0.60 0.00 0.00 32.23 32.33 1jgn h LYS 42 CO -0.30 1.35 -0.26 0.82 -3.45 0.00 0.00 179.45 177.61 1jgn h ILE 43 N 0.24 0.41 -0.71 2.00 2.04 -1.31 -1.30 117.51 118.88 1jgn h ILE 43 Ca -0.18 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.83 1jgn h ILE 43 Cb 1.92 0.41 -0.10 0.00 -0.74 0.00 0.00 36.82 38.31 1jgn h ILE 43 CO 0.23 0.00 0.19 0.00 0.00 0.00 0.00 178.15 178.57 1jgn h THR 44 N -0.40 0.57 0.02 -0.27 1.03 -1.40 -1.34 112.91 111.12 1jgn h THR 44 Ca 0.06 -0.10 0.00 0.00 -0.01 0.00 0.00 66.41 66.37 1jgn h THR 44 Cb 0.48 0.24 -0.01 0.00 -1.07 0.00 0.00 68.15 67.79 1jgn h THR 44 CO -0.23 0.05 -0.14 1.23 -0.01 0.00 0.00 175.52 176.42 1jgn h GLY 45 N 0.30 -1.24 0.61 2.99 0.00 -1.29 0.66 103.07 105.10 1jgn h GLY 45 Ca 0.40 0.57 0.06 0.00 0.00 0.00 0.00 47.33 48.36 1jgn h GLY 45 CO -0.47 -0.42 0.22 0.00 0.00 0.00 0.00 176.54 175.87 1jgn h MET 46 N -0.19 0.42 -0.00 4.80 -0.00 -1.18 -0.21 114.93 118.57 1jgn h MET 46 Ca -0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.67 1jgn h MET 46 Cb 0.19 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 31.70 1jgn h MET 46 CO -0.08 0.28 0.00 1.28 -0.00 0.00 0.00 176.91 178.39 1jgn n LEU 47 N -4.94 0.02 0.00 -0.10 7.99 -0.53 -3.53 117.00 115.90 1jgn n LEU 47 Ca 0.05 -0.01 0.04 0.00 -0.01 0.00 0.00 56.01 56.09 1jgn n LEU 47 Cb 0.18 -0.00 0.20 0.00 -0.11 0.00 0.00 43.42 43.69 1jgn n LEU 47 CO 0.26 0.00 0.61 -0.11 -1.51 0.00 0.00 177.39 176.65 1jgn n LEU 48 N -0.83 0.00 -0.66 2.23 -0.00 0.23 -1.76 117.00 116.21 1jgn n LEU 48 Ca 0.17 0.41 0.01 0.00 -0.00 0.00 0.00 56.01 56.60 1jgn n LEU 48 Cb 0.08 -0.41 0.07 0.00 -0.00 0.00 0.00 43.42 43.16 1jgn n LEU 48 CO 0.12 -0.29 0.39 -0.62 -0.00 0.00 0.00 177.39 177.00 1jgn n GLU 49 N -1.41 1.62 -2.16 1.96 -0.58 -1.23 -4.79 120.64 114.05 1jgn n GLU 49 Ca 0.03 -0.54 -0.28 0.00 -0.42 0.00 0.00 57.16 55.95 1jgn n GLU 49 Cb 0.09 -1.55 0.03 0.00 -0.57 0.00 0.00 31.44 29.44 1jgn n GLU 49 CO 0.00 0.00 0.00 -1.50 -0.48 0.00 0.00 177.13 175.15 1jgn s ILE 50 N -1.39 3.78 0.70 -3.67 2.07 -0.72 -5.05 121.20 116.92 1jgn s ILE 50 Ca 0.09 0.29 -0.13 0.00 -1.41 0.00 0.00 60.65 59.50 1jgn s ILE 50 Cb 0.07 -3.53 0.02 0.00 0.13 0.00 0.00 42.46 39.14 1jgn s ILE 50 CO 0.03 -0.62 1.09 -1.81 -1.91 0.00 0.00 174.94 171.72 1jgn s ASP 51 N -4.30 4.96 0.05 4.50 1.11 -1.26 -4.95 116.67 116.77 1jgn s ASP 51 Ca 0.55 1.87 0.12 0.00 0.18 0.00 0.00 52.55 55.27 1jgn s ASP 51 Cb -0.11 -2.53 -0.18 0.00 1.07 0.00 0.00 42.92 41.17 1jgn s ASP 51 CO 0.49 -1.73 0.92 0.78 1.18 0.00 0.00 175.17 176.81 1jgn h ASN 52 N -0.48 0.00 0.52 0.27 4.21 -1.97 -2.76 115.58 115.37 1jgn h ASN 52 Ca -0.45 0.00 -0.16 0.00 1.21 0.00 0.00 56.30 56.89 1jgn h ASN 52 Cb 1.23 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.42 1jgn h ASN 52 CO 0.54 0.88 -0.72 0.28 -1.29 0.00 0.00 177.43 177.12 1jgn h SER 53 N 0.00 0.20 0.84 5.81 0.02 -2.01 -3.03 113.55 115.38 1jgn h SER 53 Ca -0.17 -0.14 -0.16 0.00 -0.84 0.00 0.00 61.79 60.49 1jgn h SER 53 Cb 1.82 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 64.28 1jgn h SER 53 CO 0.09 0.85 -0.76 -0.33 -1.14 0.00 0.00 176.83 175.54 1jgn h GLU 54 N 0.11 0.00 -0.25 3.45 5.08 -1.96 -3.17 114.58 117.84 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 1.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.51 1jgn h GLU 54 CO 0.11 0.76 0.15 1.37 -1.00 0.00 0.00 179.01 180.39 1jgn h LEU 55 N 0.00 0.24 -0.84 1.33 8.10 -1.36 -0.01 115.31 122.77 1jgn h LEU 55 Ca -0.01 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 57.97 1jgn h LEU 55 Cb 1.38 -0.05 -0.04 0.00 -0.44 0.00 0.00 40.66 41.52 1jgn h LEU 55 CO 0.10 0.17 0.45 0.25 -4.11 0.00 0.00 178.44 175.31 1jgn h LEU 56 N 0.30 1.05 -1.32 0.17 5.85 -1.59 -2.02 115.31 117.75 1jgn h LEU 56 Ca 0.10 -0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 1jgn h LEU 56 Cb -0.01 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.75 1jgn h LEU 56 CO -0.04 0.85 -0.27 0.45 -0.34 0.00 0.00 178.44 179.09 1jgn h HIS 57 N 1.17 0.11 0.36 1.25 3.86 -1.41 -2.10 115.15 118.40 1jgn h HIS 57 Ca 0.29 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.47 1jgn h HIS 57 Cb 0.04 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.49 1jgn h HIS 57 CO 0.01 0.37 -0.17 0.52 0.86 0.00 0.00 177.93 179.51 1jgn h MET 58 N 0.10 -0.47 0.00 2.45 2.86 -0.27 0.42 114.93 120.01 1jgn h MET 58 Ca 0.01 0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1jgn h MET 58 Cb 0.53 0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.30 1jgn h MET 58 CO 0.04 -0.17 0.00 -0.11 1.06 0.00 0.00 176.91 177.73 1jgn n LEU 59 N -5.19 0.41 0.01 1.22 7.94 -1.05 -0.24 117.00 120.10 1jgn n LEU 59 Ca -0.10 0.63 0.11 0.00 -1.11 0.00 0.00 56.01 55.54 1jgn n LEU 59 Cb 0.27 -0.61 0.01 0.00 0.53 0.00 0.00 43.42 43.61 1jgn n LEU 59 CO 0.32 -0.59 0.01 1.21 -1.11 0.00 0.00 177.39 177.23 1jgn n GLU 60 N -1.99 0.19 -3.82 1.96 4.07 -0.80 -4.58 120.64 115.67 1jgn n GLU 60 Ca 0.01 -0.02 -0.28 0.00 -0.06 0.00 0.00 57.16 56.82 1jgn n GLU 60 Cb 0.14 -1.55 -0.12 0.00 -0.06 0.00 0.00 31.44 29.85 1jgn n GLU 60 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1jgn n SER 61 N -1.78 2.62 -0.16 4.31 7.64 0.14 -4.94 113.62 121.46 1jgn n SER 61 Ca 0.03 -3.12 0.15 0.00 1.01 0.00 0.00 58.87 56.93 1jgn n SER 61 Cb 0.40 -0.73 0.50 0.00 -1.01 0.00 0.00 64.21 63.37 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 5.35 0.41 0.00 1.43 0.13 -1.81 0.53 132.00 138.05 1jgn h PRO 62 Ca 0.17 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.26 1jgn h PRO 62 Cb 0.77 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1jgn h PRO 62 CO 0.68 0.27 -0.04 0.93 -0.23 0.00 0.00 178.00 179.61 1jgn h GLU 63 N 0.42 0.02 0.00 0.86 5.08 -1.92 -2.87 114.58 116.17 1jgn h GLU 63 Ca 0.36 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.66 1jgn h GLU 63 Cb 0.81 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1jgn h GLU 63 CO -0.11 0.91 -0.18 0.77 -1.00 0.00 0.00 179.01 179.40 1jgn h SER 64 N -0.86 0.00 0.04 1.42 0.02 -1.82 -3.07 113.55 109.28 1jgn h SER 64 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1jgn h SER 64 Cb 0.93 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1jgn h SER 64 CO 0.01 0.18 -0.02 0.25 -1.14 0.00 0.00 176.83 176.10 1jgn h LEU 65 N 0.00 -0.04 -1.98 5.07 5.85 -0.04 -2.95 115.31 121.21 1jgn h LEU 65 Ca -0.00 0.00 0.23 0.00 0.84 0.00 0.00 57.88 58.95 1jgn h LEU 65 Cb 0.70 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 1jgn h LEU 65 CO 0.02 0.21 0.60 -0.09 -0.34 0.00 0.00 178.44 178.84 1jgn h ARG 66 N -0.53 0.00 -0.36 1.25 2.43 -1.62 0.58 114.38 116.14 1jgn h ARG 66 Ca -0.01 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 1jgn h ARG 66 Cb 0.04 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1jgn h ARG 66 CO 0.01 0.00 -0.34 1.03 -1.51 0.00 0.00 179.97 179.16 1jgn h SER 67 N 0.00 0.93 0.70 -3.80 0.87 -1.65 0.19 113.55 110.79 1jgn h SER 67 Ca 0.38 -0.46 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 1jgn h SER 67 Cb 1.58 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 63.29 1jgn h SER 67 CO -0.00 1.20 -0.34 0.50 -0.53 0.00 0.00 176.83 177.66 1jgn h LYS 68 N 0.67 -0.91 0.00 2.24 3.64 0.26 -2.84 116.57 119.63 1jgn h LYS 68 Ca 0.06 0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1jgn h LYS 68 Cb 0.93 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1jgn h LYS 68 CO 0.09 -0.60 0.00 0.28 -2.27 0.00 0.00 179.45 176.95 1jgn h VAL 69 N -1.23 0.00 -0.37 2.00 2.07 -1.10 -1.65 116.25 115.97 1jgn h VAL 69 Ca -0.10 -0.12 0.07 0.00 0.82 0.00 0.00 66.70 67.37 1jgn h VAL 69 Cb 0.73 1.11 -0.06 0.00 -1.52 0.00 0.00 31.29 31.56 1jgn h VAL 69 CO 0.16 0.00 -0.00 -0.78 0.02 0.00 0.00 177.57 176.97 1jgn h ASP 70 N 0.00 -0.16 0.07 0.57 3.58 -0.36 0.31 116.42 120.44 1jgn h ASP 70 Ca 0.00 0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.45 1jgn h ASP 70 Cb 0.12 0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.31 1jgn h ASP 70 CO 0.00 -0.04 -0.26 -0.08 -2.88 0.00 0.00 179.24 175.98 1jgn h GLU 71 N 0.10 0.31 -0.85 0.28 4.81 -1.28 -2.48 114.58 115.47 1jgn h GLU 71 Ca 0.18 -0.11 0.05 0.00 -0.13 0.00 0.00 59.36 59.35 1jgn h GLU 71 Cb 0.25 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.56 1jgn h GLU 71 CO -0.30 0.55 0.56 0.00 -0.73 0.00 0.00 179.01 179.09 1jgn h ALA 72 N 1.46 1.51 -0.09 2.92 0.00 -0.33 0.17 119.26 124.89 1jgn h ALA 72 Ca 0.04 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1jgn h ALA 72 Cb 0.61 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1jgn h ALA 72 CO 0.04 0.38 -0.21 0.28 0.00 0.00 0.00 179.25 179.74 1jgn h VAL 73 N 1.01 1.20 -0.17 0.00 2.07 -0.08 -2.55 116.25 117.73 1jgn h VAL 73 Ca 0.35 -0.92 -0.18 0.00 0.82 0.00 0.00 66.70 66.77 1jgn h VAL 73 Cb 0.11 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1jgn h VAL 73 CO -0.12 0.28 -0.63 0.00 0.02 0.00 0.00 177.57 177.12 1jgn h ALA 74 N 1.64 0.58 -0.37 1.67 0.00 -0.64 -2.84 119.26 119.29 1jgn h ALA 74 Ca 0.03 -0.55 0.07 0.00 0.00 0.00 0.00 54.91 54.46 1jgn h ALA 74 Cb 0.46 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1jgn h ALA 74 CO 0.03 0.70 0.25 -0.39 0.00 0.00 0.00 179.25 179.85 1jgn h VAL 75 N 0.45 0.92 -0.00 0.00 -1.51 -0.68 -1.05 116.25 114.38 1jgn h VAL 75 Ca -0.01 -0.07 -0.00 0.00 -1.23 0.00 0.00 66.70 65.39 1jgn h VAL 75 Cb 1.20 0.70 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 1jgn h VAL 75 CO 0.12 0.04 -0.01 0.25 -1.23 0.00 0.00 177.57 176.74 1jgn h LEU 76 N 0.21 0.01 -1.27 4.19 7.12 -1.41 0.48 115.31 124.63 1jgn h LEU 76 Ca 0.17 -0.56 0.12 0.00 0.13 0.00 0.00 57.88 57.74 1jgn h LEU 76 Cb 0.40 -0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.46 1jgn h LEU 76 CO -0.03 0.57 0.56 1.56 -0.13 0.00 0.00 178.44 180.97 1jgn h GLN 77 N -0.55 0.73 0.00 1.25 1.08 -1.13 0.11 115.11 116.60 1jgn h GLN 77 Ca 0.00 -0.04 -0.09 0.00 -1.45 0.00 0.00 58.65 57.06 1jgn h GLN 77 Cb 0.57 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.82 1jgn h GLN 77 CO 0.00 0.48 -0.53 0.00 -0.95 0.00 0.00 178.83 177.83 1jgn h ALA 78 N 1.59 0.71 0.27 3.87 0.00 -1.20 -3.20 119.26 121.30 1jgn h ALA 78 Ca 0.42 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1jgn h ALA 78 Cb 0.59 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1jgn h ALA 78 CO -0.19 0.55 -0.13 1.25 0.00 0.00 0.00 179.25 180.73 1jgn h HIS 79 N 0.00 -0.34 0.00 0.00 6.17 0.15 -2.82 115.15 118.31 1jgn h HIS 79 Ca -0.02 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.05 1jgn h HIS 79 Cb 1.34 0.11 0.00 0.00 2.52 0.00 0.00 27.41 31.38 1jgn h HIS 79 CO 0.00 -0.02 0.00 1.96 0.71 0.00 0.00 177.93 180.58 1jgn h GLN 80 N -0.67 0.00 0.29 5.26 4.20 -1.42 -2.37 115.11 120.39 1jgn h GLN 80 Ca -0.04 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1jgn h GLN 80 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1jgn h GLN 80 CO 0.06 0.00 -0.14 0.00 -0.67 0.00 0.00 178.83 178.08 1jgn h ALA 81 N 2.14 -0.93 0.00 3.87 0.00 -1.49 -0.00 119.26 122.85 1jgn h ALA 81 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1jgn h ALA 81 Cb 0.24 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jgn h ALA 81 CO 0.00 -0.90 0.00 1.17 0.00 0.00 0.00 179.25 179.52 1jgn n LYS 82 N -3.20 0.09 0.10 0.00 0.00 -1.21 -2.40 118.16 111.53 1jgn n LYS 82 Ca -0.05 0.26 0.01 0.00 0.00 0.00 0.00 58.31 58.53 1jgn n LYS 82 Cb 0.15 -1.64 -0.02 0.00 0.00 0.00 0.00 35.03 33.51 1jgn n LYS 82 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1jgn h GLU 83 N 0.00 0.00 0.00 1.64 4.57 -1.35 -3.28 114.58 116.16 1jgn h GLU 83 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1jgn h GLU 83 Cb 0.38 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1jgn h GLU 83 CO 0.00 0.46 -0.05 0.00 -1.18 0.00 0.00 179.01 178.23 1jgn h ALA 84 N 1.44 1.40 -0.22 2.92 0.00 -0.62 -2.54 119.26 121.63 1jgn h ALA 84 Ca -0.06 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1jgn h ALA 84 Cb 1.48 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1jgn h ALA 84 CO 0.06 0.07 0.06 0.00 0.00 0.00 0.00 179.25 179.44 1jgn h ALA 85 N 1.95 0.29 -3.01 0.00 0.00 -1.71 -3.44 119.26 113.33 1jgn h ALA 85 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1jgn h ALA 85 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jgn h ALA 85 CO 0.01 -0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.23 1jgn n GLN 86 N -4.76 0.96 -2.35 0.00 1.13 -0.96 -4.93 117.38 106.47 1jgn n GLN 86 Ca -0.04 0.00 -0.40 0.00 -1.94 0.00 0.00 57.00 54.62 1jgn n GLN 86 Cb 0.17 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.49 1jgn n GLN 86 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1jgn s LYS 87 N -0.32 3.05 -1.44 -1.09 1.02 -1.26 -4.90 119.74 114.80 1jgn s LYS 87 Ca 0.00 0.20 -0.10 0.00 0.02 0.00 0.00 55.97 56.09 1jgn s LYS 87 Cb 0.00 -4.23 0.05 0.00 -0.52 0.00 0.00 37.83 33.13 1jgn s LYS 87 CO 0.00 -2.27 2.38 0.00 -0.92 0.00 0.00 175.35 174.54 1jgn n ALA 88 N 10.44 6.29 -2.01 5.17 0.00 -1.26 -4.94 120.51 134.21 1jgn n ALA 88 Ca 0.11 -3.92 -0.19 0.00 0.00 0.00 0.00 53.44 49.43 1jgn n ALA 88 Cb 0.50 -3.23 0.04 0.00 0.00 0.00 0.00 19.45 16.76 1jgn n ALA 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1jgn s VAL 89 N 1.48 2.57 -0.17 0.00 -7.23 -1.26 -5.07 120.40 110.72 1jgn s VAL 89 Ca 0.53 -0.87 -0.13 0.00 -1.81 0.00 0.00 61.98 59.70 1jgn s VAL 89 Cb 0.15 -2.70 -0.07 0.00 0.56 0.00 0.00 36.38 34.31 1jgn s VAL 89 CO -0.06 0.00 -0.12 -3.20 -0.31 0.00 0.00 175.10 171.41 1jgn n ASN 90 N -2.20 1.84 -4.60 4.85 5.15 -1.26 -4.82 115.26 114.22 1jgn n ASN 90 Ca 0.11 0.54 -0.43 0.00 -0.60 0.00 0.00 54.58 54.21 1jgn n ASN 90 Cb 0.60 -0.88 -0.02 0.00 -0.53 0.00 0.00 39.78 38.95 1jgn n ASN 90 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1jgn s SER 91 N -6.08 6.49 -0.08 1.20 0.01 -1.26 -4.90 113.70 109.08 1jgn s SER 91 Ca -0.21 0.49 -0.05 0.00 1.31 0.00 0.00 55.95 57.50 1jgn s SER 91 Cb 0.04 -2.55 -0.02 0.00 0.21 0.00 0.00 66.02 63.70 1jgn s SER 91 CO 0.34 -1.37 -0.09 0.00 0.41 0.00 0.00 173.24 172.53 1jgn h ALA 92 N 9.79 0.00 -5.38 1.44 0.00 -2.01 -3.49 119.26 119.61 1jgn h ALA 92 Ca -0.25 -0.33 -0.46 0.00 0.00 0.00 0.00 54.91 53.87 1jgn h ALA 92 Cb 1.07 0.26 -0.05 0.00 0.00 0.00 0.00 17.79 19.07 1jgn h ALA 92 CO 1.13 0.26 -0.24 0.25 0.00 0.00 0.00 179.25 180.65 1jgn n THR 93 N -3.78 0.00 -3.38 0.00 -2.24 -1.26 -5.08 114.28 98.54 1jgn n THR 93 Ca -0.04 -1.74 -0.45 0.00 -2.27 0.00 0.00 64.05 59.55 1jgn n THR 93 Cb 0.13 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.27 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 -3.60 2.67 -0.02 3.38 0.00 -1.26 -5.05 107.32 103.44 1jgn s GLY 94 Ca 0.21 -3.34 -0.11 0.00 0.00 0.00 0.00 44.72 41.48 1jgn s GLY 94 CO 0.13 1.24 0.32 -1.34 0.00 0.00 0.00 173.10 173.45 1jgn s VAL 95 N 0.06 5.20 0.00 1.40 -7.23 -1.26 -5.05 120.40 113.53 1jgn s VAL 95 Ca 0.18 0.52 0.00 0.00 -1.81 0.00 0.00 61.98 60.87 1jgn s VAL 95 Cb -0.11 -3.60 0.00 0.00 0.56 0.00 0.00 36.38 33.23 1jgn s VAL 95 CO -0.08 0.52 0.94 -2.65 -0.31 0.00 0.00 175.10 173.51 1jgn n PRO 96 N 1.62 0.00 -0.02 4.82 -0.02 -1.26 -4.74 135.00 135.40 1jgn n PRO 96 Ca -0.14 0.48 -0.03 0.00 -2.02 0.00 0.00 63.50 61.79 1jgn n PRO 96 Cb 0.53 -1.44 -0.01 0.00 -0.02 0.00 0.00 33.50 32.56 1jgn n PRO 96 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1jgn n THR 97 N -1.89 0.70 -0.41 3.45 -1.04 -1.26 -5.32 114.28 108.50 1jgn n THR 97 Ca 0.00 0.28 0.00 0.00 -2.04 0.00 0.00 64.05 62.29 1jgn n THR 97 Cb 0.00 -1.70 0.00 0.00 -1.82 0.00 0.00 70.33 66.81 1jgn n THR 97 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76