#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jez s ILE 5 N 0.00 4.78 0.46 2.46 1.01 -1.26 -4.98 121.20 123.68 1jez s ILE 5 Ca 0.00 0.17 -0.24 0.00 0.00 0.00 0.00 60.65 60.57 1jez s ILE 5 Cb 0.00 -4.24 -0.08 0.00 0.01 0.00 0.00 42.46 38.16 1jez s ILE 5 CO 0.00 -0.63 1.37 -2.84 0.00 0.00 0.00 174.94 172.83 1jez s PRO 6 N 2.93 3.63 0.06 2.79 0.02 -1.26 -4.80 135.00 138.37 1jez s PRO 6 Ca 0.24 2.28 0.02 0.00 0.02 0.00 0.00 61.00 63.56 1jez s PRO 6 Cb -0.14 -2.57 -0.04 0.00 0.02 0.00 0.00 34.50 31.77 1jez s PRO 6 CO 0.20 -0.81 0.08 -0.51 -0.33 0.00 0.00 177.00 175.62 1jez s ASP 7 N -0.71 5.56 -0.15 2.53 1.01 -1.26 -1.11 116.67 122.54 1jez s ASP 7 Ca 0.63 0.03 -0.02 0.00 0.71 0.00 0.00 52.55 53.89 1jez s ASP 7 Cb -0.41 -1.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.98 1jez s ASP 7 CO 0.51 0.20 -0.07 -0.63 0.21 0.00 0.00 175.17 175.39 1jez s ILE 8 N -1.33 3.52 -0.25 0.77 1.01 -0.04 -4.89 121.20 119.98 1jez s ILE 8 Ca 0.28 -0.49 -0.21 0.00 0.00 0.00 0.00 60.65 60.23 1jez s ILE 8 Cb -0.12 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 1jez s ILE 8 CO 0.20 0.50 0.66 -0.75 0.00 0.00 0.00 174.94 175.55 1jez s LYS 9 N 0.44 4.12 0.72 2.79 2.20 -1.26 -0.63 119.74 128.13 1jez s LYS 9 Ca -0.06 0.61 -0.11 0.00 -0.36 0.00 0.00 55.97 56.05 1jez s LYS 9 Cb -0.15 -3.65 0.03 0.00 -1.51 0.00 0.00 37.83 32.55 1jez s LYS 9 CO 0.04 -0.42 1.07 -0.51 -0.36 0.00 0.00 175.35 175.17 1jez s LEU 10 N 2.53 2.96 0.32 5.43 1.43 -0.18 -4.92 118.68 126.25 1jez s LEU 10 Ca 0.28 1.48 0.23 0.00 -1.03 0.00 0.00 54.13 55.09 1jez s LEU 10 Cb -0.15 -4.28 1.19 0.00 0.03 0.00 0.00 46.19 42.97 1jez s LEU 10 CO 0.08 -1.57 1.70 0.77 0.23 0.00 0.00 176.35 177.56 1jez h SER 11 N -0.81 0.00 1.12 2.29 4.64 -1.82 0.10 113.55 119.07 1jez h SER 11 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1jez h SER 11 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 1jez h SER 11 CO 0.58 0.00 -0.04 -1.54 -0.87 0.00 0.00 176.83 174.96 1jez n SER 12 N -2.30 0.28 0.00 4.97 3.41 -1.26 -4.90 113.62 113.82 1jez n SER 12 Ca -0.01 0.48 0.00 0.00 -0.26 0.00 0.00 58.87 59.08 1jez n SER 12 Cb 0.08 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.49 1jez n SER 12 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jez n GLY 13 N 1.44 0.62 3.83 5.00 0.00 0.35 -5.06 105.19 111.37 1jez n GLY 13 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.73 1jez n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jez s HIS 14 N -2.23 3.61 0.23 1.61 4.02 -1.26 -4.80 115.29 116.47 1jez s HIS 14 Ca 0.00 1.19 -0.21 0.00 1.02 0.00 0.00 55.06 57.05 1jez s HIS 14 Cb 0.00 -2.47 -0.08 0.00 -1.02 0.00 0.00 32.58 29.01 1jez s HIS 14 CO 0.00 0.37 0.77 -0.51 1.02 0.00 0.00 174.74 176.39 1jez s LEU 15 N -2.04 4.37 -0.05 0.89 1.43 -1.26 -1.02 118.68 121.00 1jez s LEU 15 Ca 0.41 1.52 0.01 0.00 -1.03 0.00 0.00 54.13 55.03 1jez s LEU 15 Cb -0.15 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.46 1jez s LEU 15 CO 0.20 0.04 -0.04 -0.32 0.23 0.00 0.00 176.35 176.45 1jez s MET 16 N -1.89 0.85 0.22 1.70 -2.45 0.19 -4.93 119.30 112.99 1jez s MET 16 Ca 0.43 -0.08 -0.32 0.00 -1.25 0.00 0.00 55.69 54.47 1jez s MET 16 Cb -0.18 -0.91 -0.13 0.00 1.25 0.00 0.00 34.83 34.86 1jez s MET 16 CO 0.22 -0.12 1.51 -2.30 1.05 0.00 0.00 175.02 175.38 1jez n PRO 17 N 4.27 2.22 0.00 4.11 -0.02 -1.26 -0.86 135.00 143.45 1jez n PRO 17 Ca -0.21 0.79 0.10 0.00 -2.02 0.00 0.00 63.50 62.16 1jez n PRO 17 Cb 0.51 -2.52 0.51 0.00 -0.02 0.00 0.00 33.50 31.98 1jez n PRO 17 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1jez n SER 18 N 2.67 0.00 -3.70 2.55 3.41 -0.27 -4.59 113.62 113.70 1jez n SER 18 Ca 0.13 0.08 -0.19 0.00 -0.26 0.00 0.00 58.87 58.62 1jez n SER 18 Cb 0.32 -0.32 -0.18 0.00 -0.26 0.00 0.00 64.21 63.77 1jez n SER 18 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1jez s ILE 19 N -2.65 -0.03 0.42 -1.33 1.01 -1.26 -0.71 121.20 116.66 1jez s ILE 19 Ca 0.18 0.35 0.03 0.00 0.00 0.00 0.00 60.65 61.21 1jez s ILE 19 Cb 0.14 -0.19 -0.03 0.00 0.01 0.00 0.00 42.46 42.39 1jez s ILE 19 CO 0.33 0.17 0.06 -0.83 0.00 0.00 0.00 174.94 174.68 1jez s GLY 20 N 1.92 2.62 -0.29 6.18 0.00 0.10 -4.48 107.32 113.37 1jez s GLY 20 Ca 0.02 -1.26 -0.08 0.00 0.00 0.00 0.00 44.72 43.39 1jez s GLY 20 CO -0.03 -1.97 0.12 -0.12 0.00 0.00 0.00 173.10 171.10 1jez s PHE 21 N -3.07 3.15 0.10 1.90 5.36 0.17 -3.71 117.98 121.87 1jez s PHE 21 Ca 0.22 -0.63 -0.31 0.00 -0.96 0.00 0.00 56.93 55.26 1jez s PHE 21 Cb 0.04 -2.31 -0.07 0.00 -0.34 0.00 0.00 43.02 40.35 1jez s PHE 21 CO 0.12 -0.46 1.28 0.20 -1.46 0.00 0.00 175.22 174.90 1jez s GLY 22 N 1.59 2.25 0.00 13.12 0.00 -1.26 -1.98 107.32 121.03 1jez s GLY 22 Ca 0.05 0.98 0.22 0.00 0.00 0.00 0.00 44.72 45.96 1jez s GLY 22 CO 0.05 2.15 1.02 0.00 0.00 0.00 0.00 173.10 176.32 1jez n TRP 24 N -0.49 2.21 -1.61 0.00 -0.00 -1.26 -1.63 117.44 114.66 1jez n TRP 24 Ca 0.07 0.27 -0.16 0.00 -0.00 0.00 0.00 57.50 57.68 1jez n TRP 24 Cb 0.42 -2.54 -0.06 0.00 -0.00 0.00 0.00 31.31 29.13 1jez n TRP 24 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1jez n LYS 25 N 3.70 -1.17 -2.73 5.87 4.76 -1.26 -4.97 118.16 122.37 1jez n LYS 25 Ca 0.18 1.03 -0.43 0.00 -2.87 0.00 0.00 58.31 56.23 1jez n LYS 25 Cb 0.28 -5.27 -0.03 0.00 -1.84 0.00 0.00 35.03 28.17 1jez n LYS 25 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1jez s LEU 26 N -3.90 4.00 0.09 -0.35 2.96 -0.65 -4.97 118.68 115.87 1jez s LEU 26 Ca 0.00 1.00 -0.33 0.00 -0.22 0.00 0.00 54.13 54.58 1jez s LEU 26 Cb 0.00 -3.42 -0.13 0.00 0.50 0.00 0.00 46.19 43.15 1jez s LEU 26 CO 0.00 -0.77 1.71 0.00 -1.32 0.00 0.00 176.35 175.97 1jez n ALA 27 N 6.59 1.46 -0.35 5.97 0.00 -1.26 -4.74 120.51 128.19 1jez n ALA 27 Ca 0.10 0.38 0.23 0.00 0.00 0.00 0.00 53.44 54.14 1jez n ALA 27 Cb 0.47 -2.44 0.47 0.00 0.00 0.00 0.00 19.45 17.95 1jez n ALA 27 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1jez h ASN 28 N 7.24 0.53 0.27 0.00 4.21 -1.93 0.52 115.58 126.41 1jez h ASN 28 Ca -0.46 0.14 -0.05 0.00 1.21 0.00 0.00 56.30 57.14 1jez h ASN 28 Cb 1.25 0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 38.51 1jez h ASN 28 CO 0.92 -0.00 -0.24 0.00 -1.29 0.00 0.00 177.43 176.82 1jez h ALA 29 N 1.73 1.55 -0.00 -0.83 0.00 -2.02 -3.29 119.26 116.40 1jez h ALA 29 Ca 0.68 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.37 1jez h ALA 29 Cb 1.56 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1jez h ALA 29 CO -0.47 0.30 -0.16 0.25 0.00 0.00 0.00 179.25 179.17 1jez n THR 30 N -4.17 0.00 -0.32 0.00 -2.24 -0.45 -4.73 114.28 102.38 1jez n THR 30 Ca -0.02 -0.42 0.18 0.00 -2.27 0.00 0.00 64.05 61.51 1jez n THR 30 Cb 0.30 1.00 0.37 0.00 -2.10 0.00 0.00 70.33 69.90 1jez n THR 30 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jez h ALA 31 N 0.48 1.61 0.47 6.98 0.00 -1.02 0.52 119.26 128.30 1jez h ALA 31 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1jez h ALA 31 Cb 0.08 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1jez h ALA 31 CO 0.00 -0.46 -0.33 0.78 0.00 0.00 0.00 179.25 179.25 1jez h GLY 32 N 0.33 -0.84 0.66 0.00 0.00 -1.79 -0.45 103.07 100.99 1jez h GLY 32 Ca 0.63 0.37 0.03 0.00 0.00 0.00 0.00 47.33 48.36 1jez h GLY 32 CO -0.59 -0.31 -0.03 0.83 0.00 0.00 0.00 176.54 176.44 1jez h GLU 33 N -0.78 0.02 -0.98 4.80 4.39 -1.53 -1.04 114.58 119.47 1jez h GLU 33 Ca -0.05 -0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.69 1jez h GLU 33 Cb 0.65 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.24 1jez h GLU 33 CO 0.03 0.01 0.63 1.96 -1.16 0.00 0.00 179.01 180.49 1jez h GLN 34 N 0.02 1.18 -0.31 2.33 4.20 -0.82 0.13 115.11 121.85 1jez h GLN 34 Ca 0.09 -0.07 -0.09 0.00 0.06 0.00 0.00 58.65 58.64 1jez h GLN 34 Cb 0.13 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 1jez h GLN 34 CO -0.17 0.78 -0.16 0.28 -0.67 0.00 0.00 178.83 178.88 1jez h VAL 35 N 1.21 1.29 0.04 -0.54 2.07 -0.76 -0.31 116.25 119.25 1jez h VAL 35 Ca 0.39 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.65 1jez h VAL 35 Cb 0.03 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1jez h VAL 35 CO -0.13 0.41 -0.12 0.22 0.02 0.00 0.00 177.57 177.97 1jez h TYR 36 N 0.41 -0.30 -0.65 1.57 3.20 -0.63 -0.90 116.97 119.67 1jez h TYR 36 Ca 0.07 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 1jez h TYR 36 Cb 0.69 0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 1jez h TYR 36 CO 0.06 -0.18 0.30 1.96 -1.64 0.00 0.00 178.16 178.66 1jez h GLN 37 N -0.22 0.92 -0.86 1.82 1.08 -0.71 -1.77 115.11 115.36 1jez h GLN 37 Ca 0.03 -0.13 -0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1jez h GLN 37 Cb 0.25 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.47 1jez h GLN 37 CO -0.09 0.72 0.52 0.00 -0.95 0.00 0.00 178.83 179.04 1jez h ALA 38 N 1.41 1.10 -0.42 3.87 0.00 -0.52 0.41 119.26 125.12 1jez h ALA 38 Ca 0.22 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 1jez h ALA 38 Cb 0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1jez h ALA 38 CO -0.03 0.55 -0.03 0.82 0.00 0.00 0.00 179.25 180.56 1jez h ILE 39 N 1.18 1.24 -0.30 0.00 2.04 -0.48 0.18 117.51 121.36 1jez h ILE 39 Ca 0.31 -0.99 -0.15 0.00 1.00 0.00 0.00 64.86 65.03 1jez h ILE 39 Cb -0.06 0.95 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1jez h ILE 39 CO -0.06 0.34 -0.41 0.11 0.00 0.00 0.00 178.15 178.13 1jez h LYS 40 N 0.65 0.75 0.00 2.37 1.57 -0.41 -1.91 116.57 119.58 1jez h LYS 40 Ca 0.13 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1jez h LYS 40 Cb 0.45 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.78 1jez h LYS 40 CO 0.02 1.02 0.00 0.00 -0.57 0.00 0.00 179.45 179.92 1jez n ALA 41 N -2.53 2.17 -0.19 3.86 0.00 0.13 -4.82 120.51 119.13 1jez n ALA 41 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1jez n ALA 41 Cb 0.54 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.81 1jez n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jez n GLY 42 N 0.16 0.66 3.77 0.00 0.00 -0.72 -4.72 105.19 104.35 1jez n GLY 42 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 1jez n GLY 42 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jez s TYR 43 N -2.31 3.27 0.00 1.61 1.51 0.57 -4.94 117.35 117.06 1jez s TYR 43 Ca 0.00 1.60 0.00 0.00 -1.01 0.00 0.00 57.07 57.66 1jez s TYR 43 Cb 0.00 -3.35 0.00 0.00 -0.11 0.00 0.00 41.96 38.50 1jez s TYR 43 CO 0.00 -1.01 0.00 0.54 -1.11 0.00 0.00 175.55 173.97 1jez n ARG 44 N 0.50 2.90 -3.69 -0.62 5.12 -1.26 -4.22 116.66 115.40 1jez n ARG 44 Ca 0.02 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.58 1jez n ARG 44 Cb 0.46 -0.94 -0.07 0.00 -1.16 0.00 0.00 32.46 30.75 1jez n ARG 44 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 1jez s LEU 45 N -3.82 4.32 -0.15 0.55 0.20 -1.26 -1.36 118.68 117.17 1jez s LEU 45 Ca 0.00 0.51 0.00 0.00 0.69 0.00 0.00 54.13 55.33 1jez s LEU 45 Cb 0.00 -2.25 0.03 0.00 -0.43 0.00 0.00 46.19 43.54 1jez s LEU 45 CO 0.00 0.26 -0.10 -0.36 -0.29 0.00 0.00 176.35 175.86 1jez s PHE 46 N -0.32 1.95 -0.55 5.38 0.40 -0.26 -0.65 117.98 123.93 1jez s PHE 46 Ca 0.15 -1.14 -0.20 0.00 -0.60 0.00 0.00 56.93 55.14 1jez s PHE 46 Cb -0.13 -1.46 0.07 0.00 0.51 0.00 0.00 43.02 42.01 1jez s PHE 46 CO 0.04 -0.63 0.73 0.34 0.70 0.00 0.00 175.22 176.40 1jez s ASP 47 N 1.56 6.23 0.01 1.36 2.15 -0.84 -1.43 116.67 125.70 1jez s ASP 47 Ca 0.03 -0.94 0.00 0.00 0.43 0.00 0.00 52.55 52.07 1jez s ASP 47 Cb -0.14 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1jez s ASP 47 CO -0.09 -1.05 0.00 0.61 -0.17 0.00 0.00 175.17 174.47 1jez n GLY 48 N 5.20 4.04 3.60 2.66 0.00 0.10 -1.48 105.19 119.31 1jez n GLY 48 Ca -0.06 -2.21 -0.07 0.00 0.00 0.00 0.00 46.02 43.69 1jez n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jez s ALA 49 N -2.01 -2.00 0.21 4.61 0.00 -1.26 -3.75 121.76 117.56 1jez s ALA 49 Ca 0.00 1.67 -0.10 0.00 0.00 0.00 0.00 51.96 53.53 1jez s ALA 49 Cb -0.00 -0.88 0.17 0.00 0.00 0.00 0.00 23.12 22.40 1jez s ALA 49 CO 0.00 -0.33 1.88 0.93 0.00 0.00 0.00 175.76 178.25 1jez h GLU 50 N 2.31 1.03 0.00 0.00 5.08 -1.92 -2.47 114.58 118.62 1jez h GLU 50 Ca -0.14 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1jez h GLU 50 Cb 1.17 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 1jez h GLU 50 CO 0.27 0.69 -0.00 0.22 -1.00 0.00 0.00 179.01 179.19 1jez h ASP 51 N 1.06 0.00 0.83 1.42 3.58 -1.96 -2.41 116.42 118.95 1jez h ASP 51 Ca 0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.74 1jez h ASP 51 Cb -0.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 40.93 1jez h ASP 51 CO -0.06 0.00 0.00 -1.22 -2.88 0.00 0.00 179.24 175.08 1jez n TYR 52 N -3.09 0.85 -1.65 0.28 4.01 -0.93 -4.90 117.16 111.73 1jez n TYR 52 Ca -0.02 0.32 -0.20 0.00 -0.16 0.00 0.00 57.90 57.85 1jez n TYR 52 Cb 0.15 -1.02 -0.08 0.00 -0.31 0.00 0.00 39.34 38.08 1jez n TYR 52 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1jez n GLY 53 N 0.17 1.70 0.41 2.72 0.00 -0.91 -4.78 105.19 104.50 1jez n GLY 53 Ca 0.02 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.00 1jez n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jez n ASN 54 N -1.25 0.39 0.12 1.61 0.23 -1.26 -4.86 115.26 110.23 1jez n ASN 54 Ca -0.20 -2.14 0.06 0.00 -0.53 0.00 0.00 54.58 51.77 1jez n ASN 54 Cb 0.65 -0.23 0.53 0.00 -2.08 0.00 0.00 39.78 38.66 1jez n ASN 54 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1jez h GLU 55 N 0.00 0.27 -0.08 -3.83 5.08 -1.88 -1.42 114.58 112.71 1jez h GLU 55 Ca 0.00 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1jez h GLU 55 Cb 1.32 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1jez h GLU 55 CO 0.00 0.18 0.05 -0.22 -1.00 0.00 0.00 179.01 178.02 1jez h LYS 56 N 0.28 0.12 -0.28 2.33 3.11 -1.89 -0.12 116.57 120.11 1jez h LYS 56 Ca 0.09 -0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.82 1jez h LYS 56 Cb 0.01 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 31.20 1jez h LYS 56 CO -0.02 0.14 -0.23 0.93 -2.81 0.00 0.00 179.45 177.46 1jez h GLU 57 N 0.06 0.52 -0.62 1.90 3.07 -1.69 -1.60 114.58 116.23 1jez h GLU 57 Ca 0.03 -0.19 -0.10 0.00 -0.50 0.00 0.00 59.36 58.60 1jez h GLU 57 Cb 0.05 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.91 1jez h GLU 57 CO -0.01 0.72 0.01 0.28 -1.40 0.00 0.00 179.01 178.61 1jez h VAL 58 N 0.47 1.27 -0.59 3.13 2.07 -1.06 -2.04 116.25 119.50 1jez h VAL 58 Ca 0.07 -1.15 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1jez h VAL 58 Cb 0.65 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 1jez h VAL 58 CO 0.05 0.42 0.29 1.23 0.02 0.00 0.00 177.57 179.58 1jez h GLY 59 N 1.00 0.88 0.73 2.17 0.00 -0.56 -2.22 103.07 105.07 1jez h GLY 59 Ca 0.18 -0.40 0.01 0.00 0.00 0.00 0.00 47.33 47.12 1jez h GLY 59 CO 0.03 0.38 -0.15 -0.55 0.00 0.00 0.00 176.54 176.26 1jez h ASP 60 N 0.83 -0.41 -0.49 0.19 3.32 -0.62 0.14 116.42 119.38 1jez h ASP 60 Ca 0.21 0.05 0.03 0.00 0.02 0.00 0.00 57.03 57.34 1jez h ASP 60 Cb 0.07 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 1jez h ASP 60 CO -0.03 -0.22 0.26 1.23 -1.72 0.00 0.00 179.24 178.77 1jez h GLY 61 N -0.29 0.68 0.97 2.75 0.00 -1.08 -1.45 103.07 104.65 1jez h GLY 61 Ca 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1jez h GLY 61 CO -0.09 0.14 0.22 -2.08 0.00 0.00 0.00 176.54 174.73 1jez h VAL 62 N 0.52 1.16 -1.00 4.60 2.07 -1.15 -2.25 116.25 120.19 1jez h VAL 62 Ca 0.21 -0.41 0.02 0.00 0.82 0.00 0.00 66.70 67.33 1jez h VAL 62 Cb 0.08 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 1jez h VAL 62 CO -0.13 0.16 0.66 0.50 0.02 0.00 0.00 177.57 178.79 1jez h LYS 63 N 0.52 1.30 -0.16 1.57 3.64 -0.27 -0.85 116.57 122.31 1jez h LYS 63 Ca 0.14 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 1jez h LYS 63 Cb 0.07 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 1jez h LYS 63 CO -0.02 0.86 0.05 -0.09 -2.27 0.00 0.00 179.45 177.98 1jez h ARG 64 N 1.34 0.25 -0.73 1.90 2.43 -1.08 0.41 114.38 118.90 1jez h ARG 64 Ca 0.37 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.57 1jez h ARG 64 Cb -0.12 -0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.33 1jez h ARG 64 CO -0.09 0.37 0.40 0.00 -1.51 0.00 0.00 179.97 179.14 1jez h ALA 65 N 0.87 1.01 -0.06 2.80 0.00 -0.98 0.18 119.26 123.09 1jez h ALA 65 Ca 0.05 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1jez h ALA 65 Cb 0.22 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jez h ALA 65 CO -0.00 0.05 -0.07 0.82 0.00 0.00 0.00 179.25 180.05 1jez h ILE 66 N 0.71 1.39 -0.90 0.00 2.04 -0.88 0.05 117.51 119.91 1jez h ILE 66 Ca 0.34 -1.26 0.06 0.00 1.00 0.00 0.00 64.86 65.01 1jez h ILE 66 Cb 0.28 2.10 -0.06 0.00 -0.74 0.00 0.00 36.82 38.40 1jez h ILE 66 CO -0.22 0.34 0.57 0.44 0.00 0.00 0.00 178.15 179.28 1jez h ASP 67 N -0.31 0.90 0.76 1.72 3.32 0.20 0.04 116.42 123.05 1jez h ASP 67 Ca 0.01 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1jez h ASP 67 Cb 0.59 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1jez h ASP 67 CO 0.02 0.58 0.00 -0.62 -1.72 0.00 0.00 179.24 177.49 1jez n GLU 68 N -4.58 0.15 -0.64 3.56 1.02 0.60 -4.90 120.64 115.85 1jez n GLU 68 Ca 0.13 0.35 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 1jez n GLU 68 Cb 0.18 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 29.83 1jez n GLU 68 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1jez n GLY 69 N 0.18 0.64 0.18 0.62 0.00 0.00 -4.96 105.19 101.85 1jez n GLY 69 Ca 0.03 -0.39 -0.05 0.00 0.00 0.00 0.00 46.02 45.61 1jez n GLY 69 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jez h LEU 70 N 0.00 0.31 -7.81 0.99 3.38 -1.22 -3.47 115.31 107.48 1jez h LEU 70 Ca 0.00 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 1jez h LEU 70 Cb 0.00 -0.09 -0.09 0.00 0.09 0.00 0.00 40.66 40.58 1jez h LEU 70 CO 0.00 0.79 0.07 0.68 0.09 0.00 0.00 178.44 180.07 1jez s VAL 71 N -3.90 0.01 0.17 1.22 -7.23 -1.24 -5.04 120.40 104.40 1jez s VAL 71 Ca -0.05 -0.90 0.05 0.00 -1.81 0.00 0.00 61.98 59.28 1jez s VAL 71 Cb 0.12 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 1jez s VAL 71 CO 0.80 -0.06 0.14 -0.54 -0.31 0.00 0.00 175.10 175.12 1jez s LYS 72 N -3.90 2.88 0.35 4.82 1.02 -1.26 -4.27 119.74 119.38 1jez s LYS 72 Ca 0.11 -0.90 0.13 0.00 0.02 0.00 0.00 55.97 55.34 1jez s LYS 72 Cb -0.02 -2.63 0.99 0.00 -0.52 0.00 0.00 37.83 35.65 1jez s LYS 72 CO 0.01 0.47 1.73 -0.09 -0.92 0.00 0.00 175.35 176.56 1jez h ARG 73 N 2.32 0.47 0.00 1.68 9.65 -1.96 0.16 114.38 126.70 1jez h ARG 73 Ca -0.48 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.37 1jez h ARG 73 Cb 1.20 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.68 1jez h ARG 73 CO 0.63 0.31 0.00 0.39 2.80 0.00 0.00 179.97 184.10 1jez n GLU 74 N -4.82 0.41 0.00 0.20 4.71 -1.26 -1.75 120.64 118.13 1jez n GLU 74 Ca 0.27 0.06 0.10 0.00 -0.01 0.00 0.00 57.16 57.59 1jez n GLU 74 Cb 0.83 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.73 1jez n GLU 74 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1jez n GLU 75 N -1.16 1.16 -4.31 3.49 1.02 0.55 -4.92 120.64 116.47 1jez n GLU 75 Ca 0.11 -0.70 -0.35 0.00 -0.02 0.00 0.00 57.16 56.20 1jez n GLU 75 Cb 0.11 -1.42 -0.09 0.00 -0.02 0.00 0.00 31.44 30.02 1jez n GLU 75 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1jez s ILE 76 N -2.44 4.42 -0.28 -3.67 -1.09 -0.72 -4.87 121.20 112.56 1jez s ILE 76 Ca 0.14 -0.20 -0.02 0.00 -2.23 0.00 0.00 60.65 58.34 1jez s ILE 76 Cb 0.16 -2.88 0.03 0.00 -1.58 0.00 0.00 42.46 38.20 1jez s ILE 76 CO 0.59 0.59 -0.02 0.12 -1.23 0.00 0.00 174.94 175.00 1jez s PHE 77 N -0.75 3.16 -0.24 3.97 2.19 -0.46 -4.96 117.98 120.89 1jez s PHE 77 Ca 0.12 -1.61 -0.07 0.00 0.33 0.00 0.00 56.93 55.69 1jez s PHE 77 Cb -0.12 -2.10 -0.03 0.00 -1.31 0.00 0.00 43.02 39.46 1jez s PHE 77 CO 0.02 -0.74 0.07 -0.51 1.83 0.00 0.00 175.22 175.89 1jez s LEU 78 N 1.32 3.55 -0.09 6.12 1.43 -1.26 -1.10 118.68 128.64 1jez s LEU 78 Ca -0.02 -0.13 -0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1jez s LEU 78 Cb -0.18 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 1jez s LEU 78 CO -0.02 0.01 -0.07 -0.89 0.23 0.00 0.00 176.35 175.61 1jez s THR 79 N 1.34 3.65 0.25 5.49 2.01 -0.51 -0.64 115.64 127.23 1jez s THR 79 Ca 0.05 -0.48 0.01 0.00 0.31 0.00 0.00 61.69 61.58 1jez s THR 79 Cb -0.15 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.81 1jez s THR 79 CO 0.04 0.57 0.15 -0.55 -0.69 0.00 0.00 174.62 174.14 1jez s SER 80 N -0.43 0.81 -0.01 3.53 0.15 0.27 -0.72 113.70 117.30 1jez s SER 80 Ca 0.06 -1.47 0.00 0.00 0.70 0.00 0.00 55.95 55.24 1jez s SER 80 Cb -0.12 0.37 0.01 0.00 -1.71 0.00 0.00 66.02 64.56 1jez s SER 80 CO 0.02 -0.86 0.00 -0.54 1.20 0.00 0.00 173.24 173.06 1jez s LYS 81 N -3.97 0.06 -0.26 5.44 1.02 -1.25 -1.79 119.74 118.98 1jez s LYS 81 Ca 0.38 0.03 -0.29 0.00 0.02 0.00 0.00 55.97 56.11 1jez s LYS 81 Cb 0.06 -0.13 -0.01 0.00 -0.52 0.00 0.00 37.83 37.23 1jez s LYS 81 CO 0.15 -0.04 1.36 -1.17 -0.92 0.00 0.00 175.35 174.74 1jez s LEU 82 N 0.31 3.94 0.77 3.17 2.96 0.94 -3.01 118.68 127.76 1jez s LEU 82 Ca -0.03 1.38 -0.11 0.00 -0.22 0.00 0.00 54.13 55.16 1jez s LEU 82 Cb -0.04 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.16 1jez s LEU 82 CO -0.01 -1.06 1.08 0.86 -1.32 0.00 0.00 176.35 175.90 1jez s TRP 83 N 4.39 2.77 0.53 5.38 -0.11 -1.26 -1.80 118.94 128.85 1jez s TRP 83 Ca 0.59 1.39 0.28 0.00 1.22 0.00 0.00 56.10 59.58 1jez s TRP 83 Cb -0.19 -3.02 1.43 0.00 -1.50 0.00 0.00 33.47 30.19 1jez s TRP 83 CO 0.23 -1.68 1.94 -0.91 -4.62 0.00 0.00 176.95 171.91 1jez h ASN 84 N -1.04 0.01 1.04 5.86 2.35 -1.90 -1.90 115.58 120.01 1jez h ASN 84 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1jez h ASN 84 Cb 1.24 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1jez h ASN 84 CO 0.55 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.93 1jez n ASN 85 N -4.33 0.58 -1.62 5.81 4.13 -1.26 -0.76 115.26 117.81 1jez n ASN 85 Ca 0.14 0.59 -0.14 0.00 1.68 0.00 0.00 54.58 56.86 1jez n ASN 85 Cb 0.78 -0.73 0.18 0.00 -1.54 0.00 0.00 39.78 38.46 1jez n ASN 85 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1jez n TYR 86 N -2.08 1.93 0.10 3.10 4.01 -0.71 -3.46 117.16 120.06 1jez n TYR 86 Ca 0.04 -1.81 -0.04 0.00 -0.16 0.00 0.00 57.90 55.94 1jez n TYR 86 Cb 0.32 -0.69 0.05 0.00 -0.31 0.00 0.00 39.34 38.70 1jez n TYR 86 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1jez h HIS 87 N 1.11 0.00 -2.53 -0.72 3.86 -1.74 -3.21 115.15 111.93 1jez h HIS 87 Ca 0.39 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 59.07 1jez h HIS 87 Cb 2.00 0.00 0.03 0.00 1.06 0.00 0.00 27.41 30.50 1jez h HIS 87 CO 1.25 0.78 1.12 0.34 0.86 0.00 0.00 177.93 182.27 1jez s ASP 88 N -6.77 6.47 0.31 2.45 -1.08 -1.26 -4.26 116.67 112.53 1jez s ASP 88 Ca -0.00 2.68 0.08 0.00 -0.52 0.00 0.00 52.55 54.79 1jez s ASP 88 Cb 0.11 -2.56 0.91 0.00 -1.46 0.00 0.00 42.92 39.92 1jez s ASP 88 CO 0.79 -0.99 1.47 -2.65 0.52 0.00 0.00 175.17 174.30 1jez n PRO 89 N 6.12 -0.07 0.03 4.34 -0.02 -1.26 0.18 135.00 144.32 1jez n PRO 89 Ca 0.18 1.36 0.07 0.00 -2.02 0.00 0.00 63.50 63.09 1jez n PRO 89 Cb 0.39 -2.26 0.29 0.00 -0.02 0.00 0.00 33.50 31.90 1jez n PRO 89 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 1jez n LYS 90 N -5.29 0.04 -0.00 -0.52 2.85 -1.26 -2.80 118.16 111.18 1jez n LYS 90 Ca 0.27 0.36 0.06 0.00 -1.05 0.00 0.00 58.31 57.95 1jez n LYS 90 Cb 0.89 -1.59 -0.09 0.00 -0.65 0.00 0.00 35.03 33.59 1jez n LYS 90 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1jez n ASN 91 N -1.68 2.09 -0.05 -5.58 5.03 0.13 -4.53 115.26 110.67 1jez n ASN 91 Ca 0.02 -0.09 -0.08 0.00 0.87 0.00 0.00 54.58 55.30 1jez n ASN 91 Cb 0.13 1.47 -0.01 0.00 -1.02 0.00 0.00 39.78 40.35 1jez n ASN 91 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1jez h VAL 92 N 0.00 0.46 -0.45 2.41 2.07 -1.31 -0.80 116.25 118.63 1jez h VAL 92 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 1jez h VAL 92 Cb 0.51 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.72 1jez h VAL 92 CO 0.00 0.00 0.11 -0.08 0.02 0.00 0.00 177.57 177.62 1jez h GLU 93 N -0.19 0.67 -0.33 1.57 4.81 -1.82 -0.20 114.58 119.08 1jez h GLU 93 Ca 0.14 -0.12 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 1jez h GLU 93 Cb 0.41 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 29.64 1jez h GLU 93 CO -0.37 0.61 0.11 1.15 -0.73 0.00 0.00 179.01 179.78 1jez h THR 94 N 0.65 0.90 -0.54 0.32 2.02 -1.54 0.13 112.91 114.85 1jez h THR 94 Ca 0.15 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.17 1jez h THR 94 Cb 0.24 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 1jez h THR 94 CO -0.00 0.05 0.06 0.00 0.37 0.00 0.00 175.52 175.99 1jez h ALA 95 N 1.22 0.72 -0.61 6.16 0.00 -0.57 -2.44 119.26 123.74 1jez h ALA 95 Ca 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1jez h ALA 95 Cb 0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1jez h ALA 95 CO -0.16 0.48 0.35 1.25 0.00 0.00 0.00 179.25 181.18 1jez h LEU 96 N 0.79 0.74 -0.95 0.00 5.85 -0.49 -1.26 115.31 119.99 1jez h LEU 96 Ca 0.16 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1jez h LEU 96 Cb 0.45 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 1jez h LEU 96 CO 0.02 0.60 0.59 0.78 -0.34 0.00 0.00 178.44 180.09 1jez h ASN 97 N 0.82 1.12 -0.32 1.25 2.35 -0.63 0.18 115.58 120.36 1jez h ASN 97 Ca 0.22 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.91 1jez h ASN 97 Cb 0.01 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.08 1jez h ASN 97 CO -0.04 0.85 0.18 0.50 -1.65 0.00 0.00 177.43 177.26 1jez h LYS 98 N 1.30 0.45 -0.41 0.81 1.63 -0.97 0.02 116.57 119.40 1jez h LYS 98 Ca 0.34 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 60.09 1jez h LYS 98 Cb -0.09 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 31.43 1jez h LYS 98 CO -0.07 0.37 0.26 1.15 -3.45 0.00 0.00 179.45 177.72 1jez h THR 99 N 0.40 1.11 -0.54 1.00 2.02 -0.35 -1.09 112.91 115.46 1jez h THR 99 Ca 0.11 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 1jez h THR 99 Cb 0.06 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 1jez h THR 99 CO -0.02 0.11 0.16 -0.07 0.37 0.00 0.00 175.52 176.08 1jez h LEU 100 N 0.55 0.80 -0.95 2.58 3.38 -0.43 -0.18 115.31 121.05 1jez h LEU 100 Ca 0.15 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 1jez h LEU 100 Cb -0.04 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1jez h LEU 100 CO -0.03 0.80 -0.42 0.00 0.09 0.00 0.00 178.44 178.88 1jez h ALA 101 N 1.03 1.12 -0.04 1.53 0.00 -0.87 0.98 119.26 123.00 1jez h ALA 101 Ca 0.17 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1jez h ALA 101 Cb 0.29 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jez h ALA 101 CO -0.00 0.59 -0.11 -0.44 0.00 0.00 0.00 179.25 179.29 1jez h ASP 102 N 0.18 0.17 0.84 0.00 3.32 -0.97 -3.10 116.42 116.87 1jez h ASP 102 Ca 0.02 -0.59 -0.01 0.00 0.02 0.00 0.00 57.03 56.46 1jez h ASP 102 Cb 0.82 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 40.32 1jez h ASP 102 CO 0.06 0.73 -0.05 -0.07 -1.72 0.00 0.00 179.24 178.20 1jez h LEU 103 N -0.39 0.00 -1.59 1.55 3.38 -0.87 -3.36 115.31 114.03 1jez h LEU 103 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.70 1jez h LEU 103 Cb 0.71 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.59 1jez h LEU 103 CO 0.02 0.05 -0.60 0.29 0.09 0.00 0.00 178.44 178.29 1jez n LYS 104 N -3.19 -5.44 -4.14 1.13 5.02 0.33 -4.45 118.16 107.43 1jez n LYS 104 Ca -0.00 0.67 -0.09 0.00 -2.02 0.00 0.00 58.31 56.87 1jez n LYS 104 Cb 0.30 -5.18 -0.10 0.00 -0.02 0.00 0.00 35.03 30.02 1jez n LYS 104 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1jez s VAL 105 N -3.28 0.33 -0.55 -0.18 -7.23 -0.74 -5.03 120.40 103.72 1jez s VAL 105 Ca 0.07 -1.88 0.24 0.00 -1.81 0.00 0.00 61.98 58.61 1jez s VAL 105 Cb -0.03 -1.74 0.17 0.00 0.56 0.00 0.00 36.38 35.34 1jez s VAL 105 CO 0.58 -0.79 1.46 0.44 -0.31 0.00 0.00 175.10 176.47 1jez h ASP 106 N 3.00 0.00 -5.01 4.85 3.32 -1.96 -3.42 116.42 117.20 1jez h ASP 106 Ca -0.35 -0.07 -0.04 0.00 0.02 0.00 0.00 57.03 56.59 1jez h ASP 106 Cb 1.17 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 40.58 1jez h ASP 106 CO 0.64 0.04 0.14 -0.72 -1.72 0.00 0.00 179.24 177.62 1jez s TYR 107 N -3.19 -0.50 0.14 4.55 -0.85 -1.26 -4.61 117.35 111.63 1jez s TYR 107 Ca 0.06 0.42 0.06 0.00 -0.52 0.00 0.00 57.07 57.09 1jez s TYR 107 Cb 0.11 0.46 -0.04 0.00 0.38 0.00 0.00 41.96 42.87 1jez s TYR 107 CO 0.69 -0.76 0.04 0.14 -1.52 0.00 0.00 175.55 174.14 1jez s VAL 108 N -3.14 4.07 0.13 -3.49 -7.23 -0.88 -4.97 120.40 104.90 1jez s VAL 108 Ca -0.02 -1.14 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 1jez s VAL 108 Cb -0.00 -3.02 -0.19 0.00 0.56 0.00 0.00 36.38 33.73 1jez s VAL 108 CO -0.07 -0.02 1.30 0.44 -0.31 0.00 0.00 175.10 176.44 1jez h ASP 109 N 2.91 0.31 -3.39 4.85 3.32 -1.22 -1.71 116.42 121.49 1jez h ASP 109 Ca -0.47 -0.28 -0.21 0.00 0.02 0.00 0.00 57.03 56.09 1jez h ASP 109 Cb 1.19 -0.10 -0.30 0.00 0.22 0.00 0.00 39.33 40.34 1jez h ASP 109 CO 0.60 1.12 -0.52 -0.22 -1.72 0.00 0.00 179.24 178.50 1jez s LEU 110 N -7.35 0.55 -0.14 1.55 2.96 -0.58 -0.82 118.68 114.85 1jez s LEU 110 Ca -0.03 0.44 0.00 0.00 -0.22 0.00 0.00 54.13 54.32 1jez s LEU 110 Cb 0.09 0.60 0.02 0.00 0.50 0.00 0.00 46.19 47.41 1jez s LEU 110 CO 0.85 -0.16 -0.11 0.12 -1.32 0.00 0.00 176.35 175.73 1jez s PHE 111 N 1.19 1.93 0.07 5.38 5.36 -0.88 -0.57 117.98 130.45 1jez s PHE 111 Ca -0.09 -1.07 0.05 0.00 -0.96 0.00 0.00 56.93 54.87 1jez s PHE 111 Cb -0.10 -1.46 -0.04 0.00 -0.34 0.00 0.00 43.02 41.07 1jez s PHE 111 CO -0.07 -0.62 -0.06 -0.51 -1.46 0.00 0.00 175.22 172.50 1jez s LEU 112 N 1.57 3.22 -0.35 6.12 1.43 -0.74 -2.25 118.68 127.68 1jez s LEU 112 Ca 0.05 -0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 52.62 1jez s LEU 112 Cb -0.13 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1jez s LEU 112 CO -0.10 0.21 1.40 -0.63 0.23 0.00 0.00 176.35 177.47 1jez s ILE 113 N -1.18 3.96 0.24 -0.59 1.01 -0.61 -0.04 121.20 123.99 1jez s ILE 113 Ca 0.21 1.03 -0.06 0.00 0.00 0.00 0.00 60.65 61.83 1jez s ILE 113 Cb -0.11 -4.12 0.20 0.00 0.01 0.00 0.00 42.46 38.44 1jez s ILE 113 CO 0.13 -0.60 1.83 -0.74 0.00 0.00 0.00 174.94 175.57 1jez h HIS 114 N 10.25 0.88 -3.17 3.97 2.76 -1.66 -0.69 115.15 127.51 1jez h HIS 114 Ca -0.28 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 57.79 1jez h HIS 114 Cb 1.11 -0.28 -0.21 0.00 1.55 0.00 0.00 27.41 29.58 1jez h HIS 114 CO 0.93 0.41 -0.36 -0.06 -1.30 0.00 0.00 177.93 177.56 1jez s PHE 115 N -6.06 -0.15 -1.40 5.26 0.08 -1.26 -4.37 117.98 110.08 1jez s PHE 115 Ca -0.13 0.27 -0.08 0.00 0.12 0.00 0.00 56.93 57.11 1jez s PHE 115 Cb 0.18 0.06 -0.05 0.00 -0.57 0.00 0.00 43.02 42.64 1jez s PHE 115 CO 0.78 -0.31 2.89 -0.35 -0.10 0.00 0.00 175.22 178.13 1jez n PRO 116 N 1.69 3.74 -3.86 0.24 -0.04 -1.26 -4.77 135.00 130.74 1jez n PRO 116 Ca -0.20 -2.39 -0.17 0.00 -0.04 0.00 0.00 63.50 60.70 1jez n PRO 116 Cb 0.56 -2.68 -0.16 0.00 -0.04 0.00 0.00 33.50 31.18 1jez n PRO 116 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1jez s ILE 117 N 1.22 0.11 -0.55 0.52 1.01 -1.26 -5.01 121.20 117.24 1jez s ILE 117 Ca 0.66 0.15 -0.06 0.00 0.00 0.00 0.00 60.65 61.40 1jez s ILE 117 Cb 0.20 -0.24 0.14 0.00 0.01 0.00 0.00 42.46 42.57 1jez s ILE 117 CO -0.07 0.15 0.40 0.00 0.00 0.00 0.00 174.94 175.42 1jez s ALA 118 N 1.22 3.49 0.54 9.38 0.00 -1.26 -4.52 121.76 130.60 1jez s ALA 118 Ca -0.07 -2.88 -0.17 0.00 0.00 0.00 0.00 51.96 48.84 1jez s ALA 118 Cb -0.13 -2.76 -0.07 0.00 0.00 0.00 0.00 23.12 20.16 1jez s ALA 118 CO -0.02 -2.00 1.02 -0.06 0.00 0.00 0.00 175.76 174.70 1jez s PHE 119 N 0.68 3.19 0.32 0.00 0.08 0.06 -0.68 117.98 121.62 1jez s PHE 119 Ca 0.12 1.51 -0.29 0.00 0.12 0.00 0.00 56.93 58.38 1jez s PHE 119 Cb -0.22 -2.92 -0.11 0.00 -0.57 0.00 0.00 43.02 39.20 1jez s PHE 119 CO -0.03 -0.72 1.53 0.21 -0.10 0.00 0.00 175.22 176.11 1jez s LYS 120 N -3.88 4.14 0.42 0.44 2.20 0.91 -4.25 119.74 119.72 1jez s LYS 120 Ca 0.62 2.54 -0.25 0.00 -0.36 0.00 0.00 55.97 58.52 1jez s LYS 120 Cb -0.13 -3.01 -0.10 0.00 -1.51 0.00 0.00 37.83 33.07 1jez s LYS 120 CO 0.30 -0.56 1.15 0.34 -0.36 0.00 0.00 175.35 176.23 1jez n PHE 121 N 1.55 1.70 -3.94 4.03 7.35 -1.22 -4.75 117.46 122.18 1jez n PHE 121 Ca 0.05 0.53 -0.23 0.00 -0.76 0.00 0.00 57.45 57.05 1jez n PHE 121 Cb 0.38 -2.31 -0.17 0.00 0.35 0.00 0.00 39.48 37.73 1jez n PHE 121 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 1jez s VAL 122 N -1.22 0.59 0.44 -2.13 1.01 -1.26 -4.81 120.40 113.02 1jez s VAL 122 Ca 0.62 -0.06 -0.24 0.00 0.00 0.00 0.00 61.98 62.30 1jez s VAL 122 Cb -0.54 -0.68 -0.10 0.00 0.00 0.00 0.00 36.38 35.07 1jez s VAL 122 CO 0.57 0.28 1.07 -2.65 0.00 0.00 0.00 175.10 174.37 1jez n PRO 123 N 4.75 1.43 -0.18 2.72 -0.02 -1.26 -4.86 135.00 137.59 1jez n PRO 123 Ca -0.14 0.52 -0.03 0.00 -2.02 0.00 0.00 63.50 61.83 1jez n PRO 123 Cb 0.50 -2.14 0.07 0.00 -0.02 0.00 0.00 33.50 31.91 1jez n PRO 123 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1jez h ILE 124 N 1.53 0.88 0.00 4.25 1.08 -2.00 -0.48 117.51 122.77 1jez h ILE 124 Ca -0.46 -0.16 0.00 0.00 -0.39 0.00 0.00 64.86 63.85 1jez h ILE 124 Cb 1.33 0.37 0.00 0.00 -3.07 0.00 0.00 36.82 35.46 1jez h ILE 124 CO 0.57 0.09 0.00 -0.62 -0.69 0.00 0.00 178.15 177.49 1jez n GLU 125 N -4.92 0.00 0.01 2.37 -0.58 -1.26 -2.84 120.64 113.42 1jez n GLU 125 Ca 0.06 0.25 -0.20 0.00 -0.42 0.00 0.00 57.16 56.85 1jez n GLU 125 Cb 0.19 -1.51 -0.14 0.00 -0.57 0.00 0.00 31.44 29.41 1jez n GLU 125 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 1jez h GLU 126 N 0.00 0.23 -1.64 3.49 4.81 -1.43 -3.47 114.58 116.57 1jez h GLU 126 Ca 0.00 -0.39 0.09 0.00 -0.13 0.00 0.00 59.36 58.93 1jez h GLU 126 Cb 0.25 0.15 -0.24 0.00 0.63 0.00 0.00 28.75 29.54 1jez h GLU 126 CO 0.00 1.19 0.16 0.21 -0.73 0.00 0.00 179.01 179.84 1jez s LYS 127 N -2.43 0.49 -0.14 1.92 2.20 -1.10 -5.06 119.74 115.63 1jez s LYS 127 Ca -0.18 0.97 -0.06 0.00 -0.36 0.00 0.00 55.97 56.34 1jez s LYS 127 Cb 0.02 0.30 0.06 0.00 -1.51 0.00 0.00 37.83 36.70 1jez s LYS 127 CO 0.77 -0.12 0.31 -0.47 -0.36 0.00 0.00 175.35 175.48 1jez s TYR 128 N 1.91 -0.47 0.34 4.03 5.04 -1.24 -3.30 117.35 123.66 1jez s TYR 128 Ca -0.08 1.04 -0.26 0.00 -2.44 0.00 0.00 57.07 55.33 1jez s TYR 128 Cb -0.06 0.12 -0.09 0.00 0.35 0.00 0.00 41.96 42.27 1jez s TYR 128 CO -0.18 -0.32 1.04 -1.25 -1.34 0.00 0.00 175.55 173.51 1jez s PRO 129 N 1.69 4.40 0.46 4.97 0.04 -1.26 -5.06 135.00 140.24 1jez s PRO 129 Ca -0.06 1.58 0.24 0.00 0.04 0.00 0.00 61.00 62.79 1jez s PRO 129 Cb -0.10 -2.82 1.11 0.00 0.04 0.00 0.00 34.50 32.73 1jez s PRO 129 CO -0.10 0.06 1.92 -1.00 0.04 0.00 0.00 177.00 177.92 1jez h PRO 130 N 3.08 0.00 0.00 0.56 0.13 -1.91 -3.48 132.00 130.38 1jez h PRO 130 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1jez h PRO 130 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1jez h PRO 130 CO 0.64 0.21 0.00 0.41 -0.23 0.00 0.00 178.00 179.03 1jez n GLY 131 N -0.26 3.65 0.39 1.56 0.00 -1.26 -1.42 105.19 107.86 1jez n GLY 131 Ca -0.01 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.08 1jez n GLY 131 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1jez n PHE 132 N 13.93 0.01 -2.13 1.61 3.72 -1.26 -4.88 117.46 128.45 1jez n PHE 132 Ca 0.00 -0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1jez n PHE 132 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 1jez n PHE 132 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 176.76 176.24 1jez s TYR 133 N -1.99 3.14 -0.17 1.38 5.04 -0.50 -4.75 117.35 119.48 1jez s TYR 133 Ca 0.40 0.86 0.14 0.00 -2.44 0.00 0.00 57.07 56.02 1jez s TYR 133 Cb 0.21 -3.73 0.42 0.00 0.35 0.00 0.00 41.96 39.21 1jez s TYR 133 CO 0.34 -2.62 1.21 0.00 -1.34 0.00 0.00 175.55 173.14 1jez n GLY 135 N -0.79 0.44 2.75 0.00 0.00 -1.26 -4.66 105.19 101.66 1jez n GLY 135 Ca 0.17 -0.62 -0.05 0.00 0.00 0.00 0.00 46.02 45.52 1jez n GLY 135 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jez n ASP 136 N 0.62 -3.15 0.00 1.61 2.03 -1.26 -5.11 116.55 111.29 1jez n ASP 136 Ca -0.09 -2.89 0.00 0.00 0.52 0.00 0.00 54.79 52.33 1jez n ASP 136 Cb 0.44 1.70 0.00 0.00 -0.72 0.00 0.00 41.12 42.54 1jez n ASP 136 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1jez n GLY 137 N 2.53 3.36 1.42 0.27 0.00 -1.26 -1.31 105.19 110.19 1jez n GLY 137 Ca 0.15 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.16 1jez n GLY 137 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jez n ASN 138 N 3.85 4.16 -4.77 1.61 3.02 -1.26 -4.63 115.26 117.24 1jez n ASN 138 Ca 0.00 -2.09 -0.38 0.00 -0.03 0.00 0.00 54.58 52.08 1jez n ASN 138 Cb 0.00 -0.51 -0.06 0.00 -0.61 0.00 0.00 39.78 38.60 1jez n ASN 138 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1jez s ASN 139 N -0.98 7.34 -0.04 6.41 0.01 -0.43 -4.99 114.94 122.25 1jez s ASN 139 Ca 0.50 1.92 -0.21 0.00 -0.71 0.00 0.00 52.86 54.37 1jez s ASN 139 Cb 0.27 -2.59 -0.05 0.00 0.41 0.00 0.00 41.25 39.30 1jez s ASN 139 CO 0.32 -0.07 0.59 -0.36 -1.51 0.00 0.00 177.10 176.07 1jez s PHE 140 N -1.48 3.62 -0.03 2.20 0.40 -1.26 -4.05 117.98 117.38 1jez s PHE 140 Ca 0.48 1.14 0.03 0.00 -0.60 0.00 0.00 56.93 57.99 1jez s PHE 140 Cb -0.22 -2.64 0.00 0.00 0.51 0.00 0.00 43.02 40.67 1jez s PHE 140 CO 0.28 0.25 -0.11 0.08 0.70 0.00 0.00 175.22 176.42 1jez s VAL 141 N 0.23 0.92 0.41 -0.44 1.01 -1.26 -5.06 120.40 116.21 1jez s VAL 141 Ca 0.32 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 61.94 1jez s VAL 141 Cb -0.17 -0.81 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 1jez s VAL 141 CO 0.16 0.28 0.22 -0.31 0.00 0.00 0.00 175.10 175.45 1jez s TYR 142 N 0.18 2.64 -0.00 5.22 2.02 -1.26 -0.06 117.35 126.08 1jez s TYR 142 Ca -0.04 -0.55 0.07 0.00 -0.37 0.00 0.00 57.07 56.18 1jez s TYR 142 Cb -0.09 -1.98 -0.02 0.00 -0.40 0.00 0.00 41.96 39.47 1jez s TYR 142 CO 0.01 0.14 -0.21 -1.21 -1.57 0.00 0.00 175.55 172.71 1jez s GLU 143 N -3.95 1.62 -1.41 -0.62 2.02 0.14 -4.45 118.70 112.06 1jez s GLU 143 Ca 0.42 -0.78 -0.14 0.00 0.02 0.00 0.00 54.97 54.49 1jez s GLU 143 Cb 0.02 -1.60 0.06 0.00 0.10 0.00 0.00 34.13 32.71 1jez s GLU 143 CO 0.24 0.43 2.10 -0.25 0.02 0.00 0.00 175.26 177.80 1jez n ASP 144 N 2.42 4.20 -4.02 -0.19 8.00 -1.26 -4.72 116.55 120.96 1jez n ASP 144 Ca -0.16 -2.88 -0.31 0.00 0.71 0.00 0.00 54.79 52.15 1jez n ASP 144 Cb 0.53 -1.65 -0.15 0.00 -0.02 0.00 0.00 41.12 39.82 1jez n ASP 144 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1jez s VAL 145 N 3.05 2.14 0.65 2.53 1.01 -1.26 -5.10 120.40 123.42 1jez s VAL 145 Ca 0.47 -1.98 -0.18 0.00 0.00 0.00 0.00 61.98 60.29 1jez s VAL 145 Cb 0.12 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 1jez s VAL 145 CO -0.05 -0.36 1.24 -2.65 0.00 0.00 0.00 175.10 173.27 1jez n PRO 146 N 4.36 1.02 -0.29 2.72 -0.02 -1.26 -4.88 135.00 136.65 1jez n PRO 146 Ca -0.04 0.40 0.03 0.00 -2.02 0.00 0.00 63.50 61.88 1jez n PRO 146 Cb 0.42 -2.48 0.17 0.00 -0.02 0.00 0.00 33.50 31.60 1jez n PRO 146 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1jez h ILE 147 N 0.42 0.90 -0.14 4.25 1.08 -1.98 -1.80 117.51 120.24 1jez h ILE 147 Ca -0.50 -0.27 -0.01 0.00 -0.39 0.00 0.00 64.86 63.68 1jez h ILE 147 Cb 1.34 0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 1jez h ILE 147 CO 0.52 0.14 0.03 0.25 -0.69 0.00 0.00 178.15 178.41 1jez h LEU 148 N 0.79 0.17 -0.59 1.44 5.85 -1.98 0.12 115.31 121.10 1jez h LEU 148 Ca 0.40 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 59.04 1jez h LEU 148 Cb 0.38 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 1jez h LEU 148 CO -0.25 0.18 0.09 -0.33 -0.34 0.00 0.00 178.44 177.79 1jez h GLU 149 N 0.19 0.99 -0.47 1.25 4.39 -1.68 0.66 114.58 119.90 1jez h GLU 149 Ca 0.05 -0.27 -0.12 0.00 0.34 0.00 0.00 59.36 59.36 1jez h GLU 149 Cb 0.08 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 1jez h GLU 149 CO -0.00 0.93 -0.20 1.15 -1.16 0.00 0.00 179.01 179.74 1jez h THR 150 N 0.89 1.27 -0.25 1.13 2.02 -1.29 -2.79 112.91 113.89 1jez h THR 150 Ca 0.18 -1.35 -0.02 0.00 0.77 0.00 0.00 66.41 65.99 1jez h THR 150 Cb 0.43 1.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 1jez h THR 150 CO 0.01 0.46 0.08 -0.25 0.37 0.00 0.00 175.52 176.20 1jez h TRP 151 N 0.83 0.39 -0.84 3.16 2.91 -0.56 -1.98 115.95 119.85 1jez h TRP 151 Ca 0.11 -0.04 0.05 0.00 1.13 0.00 0.00 58.89 60.14 1jez h TRP 151 Cb 0.76 -0.11 -0.05 0.00 -0.51 0.00 0.00 29.16 29.24 1jez h TRP 151 CO 0.05 0.44 0.55 0.87 -1.03 0.00 0.00 178.44 179.32 1jez h LYS 152 N 0.23 0.97 -0.59 2.65 1.57 -0.86 0.14 116.57 120.68 1jez h LYS 152 Ca 0.08 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1jez h LYS 152 Cb 0.23 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1jez h LYS 152 CO -0.00 0.64 0.32 0.00 -0.57 0.00 0.00 179.45 179.84 1jez h ALA 153 N 1.52 0.76 -0.41 3.86 0.00 -1.20 -1.46 119.26 122.34 1jez h ALA 153 Ca 0.35 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1jez h ALA 153 Cb 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1jez h ALA 153 CO -0.12 0.27 -0.12 -0.07 0.00 0.00 0.00 179.25 179.22 1jez h LEU 154 N 0.80 0.72 -0.79 0.00 3.38 -0.37 -2.30 115.31 116.76 1jez h LEU 154 Ca 0.21 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jez h LEU 154 Cb 0.04 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1jez h LEU 154 CO -0.03 0.86 0.47 -0.33 0.09 0.00 0.00 178.44 179.50 1jez h GLU 155 N 0.66 1.07 -0.35 1.13 5.08 -0.25 -1.57 114.58 120.35 1jez h GLU 155 Ca 0.11 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1jez h GLU 155 Cb 0.58 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1jez h GLU 155 CO 0.04 0.76 0.06 0.87 -1.00 0.00 0.00 179.01 179.73 1jez h LYS 156 N 1.08 0.52 0.00 2.33 1.57 -0.92 -1.58 116.57 119.58 1jez h LYS 156 Ca 0.28 -0.09 -0.04 0.00 -1.87 0.00 0.00 60.65 58.93 1jez h LYS 156 Cb -0.04 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1jez h LYS 156 CO -0.05 0.50 -0.19 -0.07 -0.57 0.00 0.00 179.45 179.07 1jez h LEU 157 N 0.51 0.00 -0.09 2.94 3.38 -0.77 -1.31 115.31 119.97 1jez h LEU 157 Ca 0.12 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 1jez h LEU 157 Cb 0.24 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1jez h LEU 157 CO 0.00 0.19 -0.41 0.58 0.09 0.00 0.00 178.44 178.89 1jez h VAL 158 N 0.00 1.39 -0.43 1.22 2.07 -0.42 -1.74 116.25 118.35 1jez h VAL 158 Ca -0.00 -1.77 0.02 0.00 0.82 0.00 0.00 66.70 65.77 1jez h VAL 158 Cb 0.84 2.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 1jez h VAL 158 CO 0.03 0.52 0.28 0.00 0.02 0.00 0.00 177.57 178.42 1jez h ALA 159 N 0.45 1.78 0.00 1.67 0.00 -1.06 0.31 119.26 122.42 1jez h ALA 159 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jez h ALA 159 Cb 1.06 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1jez h ALA 159 CO 0.09 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.51 1jez n ALA 160 N -2.49 2.38 -1.11 0.00 0.00 -0.52 -4.90 120.51 113.87 1jez n ALA 160 Ca 0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.30 1jez n ALA 160 Cb 0.12 -1.42 -0.02 0.00 0.00 0.00 0.00 19.45 18.13 1jez n ALA 160 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jez n GLY 161 N 0.78 0.68 0.09 0.00 0.00 0.10 -4.93 105.19 101.91 1jez n GLY 161 Ca 0.16 -0.88 0.11 0.00 0.00 0.00 0.00 46.02 45.40 1jez n GLY 161 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jez n LYS 162 N -2.87 0.22 -3.76 1.61 5.02 -0.67 -4.71 118.16 113.01 1jez n LYS 162 Ca -0.04 -0.18 -0.13 0.00 -2.02 0.00 0.00 58.31 55.94 1jez n LYS 162 Cb 0.13 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.51 1jez n LYS 162 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1jez s ILE 163 N -2.90 -0.03 -0.08 -0.18 1.01 -1.22 -2.07 121.20 115.73 1jez s ILE 163 Ca 0.11 0.12 -0.17 0.00 0.00 0.00 0.00 60.65 60.71 1jez s ILE 163 Cb 0.17 -0.30 -0.29 0.00 0.01 0.00 0.00 42.46 42.04 1jez s ILE 163 CO 0.79 0.05 0.67 0.11 0.00 0.00 0.00 174.94 176.56 1jez h LYS 164 N 6.86 0.29 -4.38 2.79 1.57 -1.39 -3.39 116.57 118.91 1jez h LYS 164 Ca -0.37 -0.49 -0.28 0.00 -1.87 0.00 0.00 60.65 57.63 1jez h LYS 164 Cb 1.16 0.18 -0.24 0.00 0.08 0.00 0.00 32.23 33.41 1jez h LYS 164 CO 0.40 1.23 -0.74 -1.12 -0.57 0.00 0.00 179.45 178.65 1jez s SER 165 N -7.07 0.67 0.18 0.86 0.01 -0.00 -5.00 113.70 103.34 1jez s SER 165 Ca -0.17 -0.36 0.10 0.00 1.31 0.00 0.00 55.95 56.83 1jez s SER 165 Cb 0.04 0.00 -0.04 0.00 0.21 0.00 0.00 66.02 66.23 1jez s SER 165 CO 0.80 -0.11 -0.22 0.27 0.41 0.00 0.00 173.24 174.39 1jez s ILE 166 N -0.87 2.16 0.00 1.44 -4.36 -1.26 -2.08 121.20 116.24 1jez s ILE 166 Ca -0.06 -1.96 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 1jez s ILE 166 Cb -0.07 -2.01 0.00 0.00 1.25 0.00 0.00 42.46 41.64 1jez s ILE 166 CO 0.00 -0.16 0.00 0.61 0.24 0.00 0.00 174.94 175.63 1jez n GLY 167 N 0.36 2.17 3.08 6.27 0.00 -0.95 -0.25 105.19 115.87 1jez n GLY 167 Ca -0.13 -0.97 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 1jez n GLY 167 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1jez s VAL 168 N -2.99 0.35 0.11 1.61 -7.23 -0.07 -1.57 120.40 110.61 1jez s VAL 168 Ca 0.00 -1.50 0.09 0.00 -1.81 0.00 0.00 61.98 58.75 1jez s VAL 168 Cb 0.00 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.80 1jez s VAL 168 CO 0.00 -0.76 -0.22 -0.44 -0.31 0.00 0.00 175.10 173.37 1jez s SER 169 N -2.38 2.74 -1.46 4.85 0.01 -0.27 -0.81 113.70 116.39 1jez s SER 169 Ca -0.00 -0.71 -0.04 0.00 1.31 0.00 0.00 55.95 56.50 1jez s SER 169 Cb 0.00 -0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.09 1jez s SER 169 CO -0.05 0.08 0.36 0.59 0.41 0.00 0.00 173.24 174.63 1jez n ASN 170 N 0.98 -5.19 -4.73 2.44 5.03 0.58 -4.27 115.26 110.11 1jez n ASN 170 Ca -0.19 -0.17 -0.36 0.00 0.87 0.00 0.00 54.58 54.73 1jez n ASN 170 Cb 0.54 -4.26 -0.07 0.00 -1.02 0.00 0.00 39.78 34.96 1jez n ASN 170 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1jez s PHE 171 N -3.00 3.43 0.80 3.10 0.40 -1.26 -4.54 117.98 116.91 1jez s PHE 171 Ca 0.21 0.47 -0.12 0.00 -0.60 0.00 0.00 56.93 56.90 1jez s PHE 171 Cb -0.10 -2.26 0.07 0.00 0.51 0.00 0.00 43.02 41.24 1jez s PHE 171 CO 0.26 0.25 1.17 -1.25 0.70 0.00 0.00 175.22 176.35 1jez s PRO 172 N 0.44 2.06 0.20 0.24 0.04 -1.26 -4.82 135.00 131.89 1jez s PRO 172 Ca 0.13 0.14 -0.12 0.00 0.04 0.00 0.00 61.00 61.18 1jez s PRO 172 Cb -0.12 -1.96 0.23 0.00 0.04 0.00 0.00 34.50 32.68 1jez s PRO 172 CO 0.01 -1.53 1.71 0.78 0.04 0.00 0.00 177.00 178.01 1jez h GLY 173 N -1.00 0.67 1.67 0.56 0.00 -1.97 -1.57 103.07 101.41 1jez h GLY 173 Ca -0.46 -0.03 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 1jez h GLY 173 CO 0.66 -0.08 -0.00 0.00 0.00 0.00 0.00 176.54 177.11 1jez h ALA 174 N 1.42 1.48 -0.04 3.60 0.00 -1.99 -0.39 119.26 123.35 1jez h ALA 174 Ca 0.27 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 1jez h ALA 174 Cb 0.38 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1jez h ALA 174 CO -0.35 0.37 -0.54 1.25 0.00 0.00 0.00 179.25 179.98 1jez h LEU 175 N 0.41 0.54 -0.41 0.00 5.85 -1.87 -2.14 115.31 117.68 1jez h LEU 175 Ca 0.09 -0.71 -0.00 0.00 0.84 0.00 0.00 57.88 58.10 1jez h LEU 175 Cb 0.28 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 1jez h LEU 175 CO 0.01 1.17 0.26 0.25 -0.34 0.00 0.00 178.44 179.79 1jez h LEU 176 N -0.05 0.49 -0.27 2.25 5.85 -1.12 -1.32 115.31 121.15 1jez h LEU 176 Ca -0.06 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.68 1jez h LEU 176 Cb 1.22 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 1jez h LEU 176 CO 0.11 0.39 -0.11 0.25 -0.34 0.00 0.00 178.44 178.74 1jez h LEU 177 N 0.55 -0.38 -0.91 2.25 5.85 -1.07 -1.07 115.31 120.53 1jez h LEU 177 Ca 0.15 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1jez h LEU 177 Cb -0.02 0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1jez h LEU 177 CO -0.03 -0.14 0.37 -0.78 -0.34 0.00 0.00 178.44 177.52 1jez h ASP 178 N -0.07 1.05 -0.53 1.25 3.58 -1.04 -2.58 116.42 118.08 1jez h ASP 178 Ca 0.14 -0.13 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1jez h ASP 178 Cb 0.28 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.03 1jez h ASP 178 CO -0.32 0.90 0.33 0.25 -2.88 0.00 0.00 179.24 177.52 1jez h LEU 179 N 1.14 0.62 -1.96 2.28 5.85 -0.71 -1.82 115.31 120.71 1jez h LEU 179 Ca 0.27 -0.04 0.17 0.00 0.84 0.00 0.00 57.88 59.13 1jez h LEU 179 Cb 0.14 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 1jez h LEU 179 CO -0.03 0.47 0.43 -0.07 -0.34 0.00 0.00 178.44 178.90 1jez h LEU 180 N 0.71 0.04 -0.78 2.25 3.38 -0.82 -0.44 115.31 119.65 1jez h LEU 180 Ca 0.19 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 1jez h LEU 180 Cb -0.05 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1jez h LEU 180 CO -0.04 0.02 -0.61 0.03 0.09 0.00 0.00 178.44 177.93 1jez h ARG 181 N 0.04 0.02 -0.00 1.13 3.08 -1.11 -3.33 114.38 114.20 1jez h ARG 181 Ca 0.29 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.33 1jez h ARG 181 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 1jez h ARG 181 CO -0.01 0.62 -0.41 0.41 -1.07 0.00 0.00 179.97 179.50 1jez n GLY 182 N 0.21 -0.08 3.74 0.04 0.00 -0.43 -5.01 105.19 103.66 1jez n GLY 182 Ca -0.01 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 1jez n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jez s ALA 183 N -1.83 3.32 -0.13 4.61 0.00 -0.30 -4.96 121.76 122.47 1jez s ALA 183 Ca 0.06 0.52 -0.15 0.00 0.00 0.00 0.00 51.96 52.39 1jez s ALA 183 Cb 0.09 -3.17 -0.25 0.00 0.00 0.00 0.00 23.12 19.78 1jez s ALA 183 CO 0.39 0.10 0.46 1.15 0.00 0.00 0.00 175.76 177.85 1jez h THR 184 N 3.70 0.93 -3.39 0.00 2.02 -1.92 -3.41 112.91 110.85 1jez h THR 184 Ca -0.44 -2.35 -0.73 0.00 0.77 0.00 0.00 66.41 63.66 1jez h THR 184 Cb 1.21 2.59 -0.22 0.00 -1.74 0.00 0.00 68.15 69.98 1jez h THR 184 CO 0.70 0.67 -0.38 -0.63 0.37 0.00 0.00 175.52 176.25 1jez s ILE 185 N -2.47 5.14 0.36 3.11 1.01 -1.26 -5.05 121.20 122.04 1jez s ILE 185 Ca -0.22 -0.95 -0.28 0.00 0.00 0.00 0.00 60.65 59.19 1jez s ILE 185 Cb 0.05 -4.00 -0.12 0.00 0.01 0.00 0.00 42.46 38.40 1jez s ILE 185 CO 0.73 -0.47 1.43 0.29 0.00 0.00 0.00 174.94 176.92 1jez n LYS 186 N 5.16 2.48 -1.67 2.79 4.76 -1.26 -4.86 118.16 125.56 1jez n LYS 186 Ca -0.12 0.87 -0.44 0.00 -2.87 0.00 0.00 58.31 55.75 1jez n LYS 186 Cb 0.45 -2.55 -0.03 0.00 -1.84 0.00 0.00 35.03 31.05 1jez n LYS 186 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1jez n PRO 187 N 0.63 2.69 0.11 1.97 -0.04 -1.26 -4.84 135.00 134.26 1jez n PRO 187 Ca 0.03 0.98 -0.01 0.00 -0.04 0.00 0.00 63.50 64.46 1jez n PRO 187 Cb 0.38 -2.90 0.03 0.00 -0.04 0.00 0.00 33.50 30.96 1jez n PRO 187 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jez h ALA 188 N 9.95 0.62 -3.53 0.55 0.00 -0.95 -3.43 119.26 122.48 1jez h ALA 188 Ca -0.49 -0.63 -0.32 0.00 0.00 0.00 0.00 54.91 53.47 1jez h ALA 188 Cb 1.25 -0.11 -0.24 0.00 0.00 0.00 0.00 17.79 18.68 1jez h ALA 188 CO 0.94 0.87 -0.75 0.08 0.00 0.00 0.00 179.25 180.39 1jez s VAL 189 N -3.02 0.60 -0.23 0.00 1.01 -1.25 -1.00 120.40 116.52 1jez s VAL 189 Ca 0.02 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.24 1jez s VAL 189 Cb 0.10 -0.59 0.05 0.00 0.00 0.00 0.00 36.38 35.94 1jez s VAL 189 CO 0.77 -0.14 -0.08 -0.22 0.00 0.00 0.00 175.10 175.43 1jez s LEU 190 N -0.99 2.63 -0.24 3.92 2.96 -0.04 -0.89 118.68 126.03 1jez s LEU 190 Ca -0.04 -1.12 -0.09 0.00 -0.22 0.00 0.00 54.13 52.66 1jez s LEU 190 Cb -0.07 -1.26 -0.04 0.00 0.50 0.00 0.00 46.19 45.32 1jez s LEU 190 CO 0.00 -0.20 0.12 -1.58 -1.32 0.00 0.00 176.35 173.38 1jez s GLN 191 N 1.34 3.92 0.07 1.98 0.74 0.01 -1.54 119.66 126.19 1jez s GLN 191 Ca -0.05 -0.35 -0.02 0.00 0.05 0.00 0.00 55.36 55.00 1jez s GLN 191 Cb -0.18 -3.43 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 1jez s GLN 191 CO -0.07 0.01 0.01 0.14 -0.55 0.00 0.00 175.29 174.83 1jez s VAL 192 N 1.16 0.19 0.11 1.34 -7.23 -0.75 -0.31 120.40 114.91 1jez s VAL 192 Ca 0.06 -1.79 -0.31 0.00 -1.81 0.00 0.00 61.98 58.13 1jez s VAL 192 Cb -0.14 -1.63 -0.09 0.00 0.56 0.00 0.00 36.38 35.08 1jez s VAL 192 CO 0.05 -0.85 1.54 -0.70 -0.31 0.00 0.00 175.10 174.82 1jez s GLU 193 N -3.95 4.24 -0.16 4.82 2.12 -1.26 -2.31 118.70 122.20 1jez s GLU 193 Ca 0.11 2.26 -0.07 0.00 0.36 0.00 0.00 54.97 57.63 1jez s GLU 193 Cb 0.08 -3.33 0.07 0.00 0.26 0.00 0.00 34.13 31.20 1jez s GLU 193 CO -0.07 -0.60 0.35 -1.58 -0.54 0.00 0.00 175.26 172.81 1jez s HIS 194 N 1.65 -0.58 0.11 5.30 2.46 -0.91 -4.89 115.29 118.44 1jez s HIS 194 Ca 0.69 1.21 -0.26 0.00 0.47 0.00 0.00 55.06 57.18 1jez s HIS 194 Cb -0.40 0.16 0.08 0.00 -0.13 0.00 0.00 32.58 32.29 1jez s HIS 194 CO 0.31 -0.38 1.04 -3.38 -2.47 0.00 0.00 174.74 169.86 1jez s HIS 195 N 2.11 -0.11 0.63 3.88 -3.43 -1.11 -4.56 115.29 112.70 1jez s HIS 195 Ca -0.04 -0.15 0.26 0.00 -0.80 0.00 0.00 55.06 54.33 1jez s HIS 195 Cb -0.11 0.62 1.29 0.00 -1.43 0.00 0.00 32.58 32.95 1jez s HIS 195 CO -0.11 -0.69 1.72 -1.35 -2.00 0.00 0.00 174.74 172.32 1jez h PRO 196 N 2.00 0.00 -0.00 -0.38 0.11 -1.93 0.11 132.00 131.91 1jez h PRO 196 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1jez h PRO 196 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1jez h PRO 196 CO 0.26 0.00 -0.67 0.66 -0.21 0.00 0.00 178.00 178.04 1jez n TYR 197 N -3.24 0.00 -3.27 0.65 4.01 -1.26 -1.91 117.16 112.13 1jez n TYR 197 Ca 0.06 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.57 1jez n TYR 197 Cb 0.73 -0.11 -0.08 0.00 -0.31 0.00 0.00 39.34 39.57 1jez n TYR 197 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 1jez n LEU 198 N -1.24 -0.80 0.05 7.72 7.94 0.38 -0.35 117.00 130.70 1jez n LEU 198 Ca 0.06 -4.23 -0.01 0.00 -1.11 0.00 0.00 56.01 50.72 1jez n LEU 198 Cb 0.35 0.59 -0.07 0.00 0.53 0.00 0.00 43.42 44.82 1jez n LEU 198 CO 0.36 1.90 -0.12 1.56 -1.11 0.00 0.00 177.39 179.99 1jez h GLN 199 N 5.27 0.00 -6.99 1.96 4.20 -1.76 -2.94 115.11 114.85 1jez h GLN 199 Ca 0.21 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.56 1jez h GLN 199 Cb 0.93 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.68 1jez h GLN 199 CO 0.34 0.42 -0.58 1.04 -0.67 0.00 0.00 178.83 179.38 1jez n GLN 200 N -3.02 -0.64 0.07 1.46 6.02 -1.26 -4.79 117.38 115.22 1jez n GLN 200 Ca -0.07 -0.15 0.15 0.00 -0.01 0.00 0.00 57.00 56.92 1jez n GLN 200 Cb 0.85 -1.20 0.65 0.00 1.02 0.00 0.00 30.24 31.57 1jez n GLN 200 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 1jez h PRO 201 N -0.29 0.05 -0.09 -1.09 0.13 -2.00 -2.21 132.00 126.50 1jez h PRO 201 Ca -0.41 -0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.50 1jez h PRO 201 Cb 0.81 -0.01 0.01 0.00 0.13 0.00 0.00 31.00 31.94 1jez h PRO 201 CO 0.32 0.03 -0.84 0.87 -0.23 0.00 0.00 178.00 178.15 1jez h LYS 202 N 0.05 0.65 -0.21 0.86 1.57 -1.99 -2.24 116.57 115.26 1jez h LYS 202 Ca 0.17 -0.58 -0.02 0.00 -1.87 0.00 0.00 60.65 58.35 1jez h LYS 202 Cb 0.63 0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1jez h LYS 202 CO -0.01 1.19 0.04 1.25 -0.57 0.00 0.00 179.45 181.35 1jez h LEU 203 N 0.42 0.33 -0.27 2.94 5.85 -1.78 -1.53 115.31 121.28 1jez h LEU 203 Ca -0.07 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.44 1jez h LEU 203 Cb 1.46 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 42.36 1jez h LEU 203 CO 0.16 0.50 0.03 0.40 -0.34 0.00 0.00 178.44 179.19 1jez h ILE 204 N 0.15 0.84 -0.20 4.05 1.08 -1.46 -1.74 117.51 120.23 1jez h ILE 204 Ca 0.06 -0.04 0.00 0.00 -0.39 0.00 0.00 64.86 64.49 1jez h ILE 204 Cb 0.30 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 1jez h ILE 204 CO 0.00 0.02 0.13 -0.08 -0.69 0.00 0.00 178.15 177.54 1jez h GLU 205 N 0.12 0.26 -0.53 2.37 4.81 -1.29 -1.18 114.58 119.14 1jez h GLU 205 Ca 0.13 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1jez h GLU 205 Cb 0.15 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.44 1jez h GLU 205 CO -0.19 0.17 0.31 0.35 -0.73 0.00 0.00 179.01 178.92 1jez h PHE 206 N 0.27 0.71 -0.13 0.92 3.57 -1.13 -2.11 116.94 119.03 1jez h PHE 206 Ca 0.07 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1jez h PHE 206 Cb -0.03 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 1jez h PHE 206 CO -0.06 0.50 0.05 0.00 -2.23 0.00 0.00 178.31 176.57 1jez h ALA 207 N 1.15 0.17 -0.72 2.41 0.00 -1.09 -2.16 119.26 119.01 1jez h ALA 207 Ca 0.19 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1jez h ALA 207 Cb 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1jez h ALA 207 CO -0.03 -0.25 0.32 1.96 0.00 0.00 0.00 179.25 181.24 1jez h GLN 208 N 0.06 1.04 0.00 0.00 4.20 -1.18 -0.76 115.11 118.47 1jez h GLN 208 Ca 0.04 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.53 1jez h GLN 208 Cb 0.16 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1jez h GLN 208 CO -0.00 0.83 -0.30 0.87 -0.67 0.00 0.00 178.83 179.55 1jez h LYS 209 N 1.03 0.00 -0.12 1.46 1.57 -1.29 -1.95 116.57 117.28 1jez h LYS 209 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1jez h LYS 209 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1jez h LYS 209 CO -0.03 0.30 0.00 0.00 -0.57 0.00 0.00 179.45 179.16 1jez n ALA 210 N -2.35 2.52 -0.14 3.86 0.00 -0.79 -4.90 120.51 118.72 1jez n ALA 210 Ca -0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1jez n ALA 210 Cb 0.40 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1jez n ALA 210 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jez n GLY 211 N 0.85 1.88 3.75 0.00 0.00 -0.73 -5.03 105.19 105.90 1jez n GLY 211 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1jez n GLY 211 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jez s VAL 212 N -2.85 3.55 -0.09 1.61 1.01 -0.36 -4.52 120.40 118.74 1jez s VAL 212 Ca 0.00 1.44 -0.14 0.00 0.00 0.00 0.00 61.98 63.28 1jez s VAL 212 Cb 0.00 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 1jez s VAL 212 CO 0.00 0.30 0.35 -0.89 0.00 0.00 0.00 175.10 174.86 1jez s THR 213 N -0.70 5.21 -0.10 3.92 2.01 -0.17 -3.65 115.64 122.16 1jez s THR 213 Ca 0.48 0.69 -0.15 0.00 0.31 0.00 0.00 61.69 63.01 1jez s THR 213 Cb -0.32 -3.67 -0.05 0.00 0.01 0.00 0.00 72.50 68.47 1jez s THR 213 CO 0.39 0.47 0.37 -0.63 -0.69 0.00 0.00 174.62 174.53 1jez s ILE 214 N -0.18 5.20 -0.10 1.82 -1.09 -1.26 -0.86 121.20 124.73 1jez s ILE 214 Ca 0.20 0.73 0.03 0.00 -2.23 0.00 0.00 60.65 59.39 1jez s ILE 214 Cb -0.15 -3.69 0.01 0.00 -1.58 0.00 0.00 42.46 37.05 1jez s ILE 214 CO 0.08 0.44 -0.20 -0.89 -1.23 0.00 0.00 174.94 173.14 1jez s THR 215 N -0.02 1.80 -0.08 2.92 2.01 -0.59 -1.18 115.64 120.49 1jez s THR 215 Ca 0.21 -0.86 -0.05 0.00 0.31 0.00 0.00 61.69 61.30 1jez s THR 215 Cb -0.15 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 1jez s THR 215 CO 0.08 0.50 0.15 0.00 -0.69 0.00 0.00 174.62 174.66 1jez s ALA 216 N 0.51 3.88 0.14 7.40 0.00 -0.11 -1.81 121.76 131.76 1jez s ALA 216 Ca -0.16 -0.69 0.09 0.00 0.00 0.00 0.00 51.96 51.20 1jez s ALA 216 Cb -0.17 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 20.99 1jez s ALA 216 CO 0.06 0.66 -0.20 1.52 0.00 0.00 0.00 175.76 177.80 1jez s TYR 217 N -1.12 1.88 0.21 0.00 -0.85 -0.98 -3.27 117.35 113.23 1jez s TYR 217 Ca 0.19 -0.43 0.00 0.00 -0.52 0.00 0.00 57.07 56.31 1jez s TYR 217 Cb -0.12 -0.98 0.00 0.00 0.38 0.00 0.00 41.96 41.24 1jez s TYR 217 CO 0.09 0.30 0.00 0.43 -1.52 0.00 0.00 175.55 174.84 1jez n SER 218 N 0.65 -5.32 -4.67 -0.18 7.64 -1.26 -2.13 113.62 108.34 1jez n SER 218 Ca -0.16 0.37 -0.37 0.00 1.01 0.00 0.00 58.87 59.72 1jez n SER 218 Cb 0.55 -2.72 -0.09 0.00 -1.01 0.00 0.00 64.21 60.95 1jez n SER 218 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jez s THR 238 N -1.82 5.31 -1.20 0.44 2.01 -1.26 -4.48 115.64 114.65 1jez s THR 238 Ca 0.00 0.36 0.06 0.00 0.31 0.00 0.00 61.69 62.42 1jez s THR 238 Cb 0.00 -3.57 0.07 0.00 0.01 0.00 0.00 72.50 69.01 1jez s THR 238 CO 0.00 0.32 1.11 0.18 -0.69 0.00 0.00 174.62 175.54 1jez n LEU 239 N 4.28 0.00 0.13 4.42 4.77 -1.26 -1.35 117.00 127.99 1jez n LEU 239 Ca -0.13 0.40 0.10 0.00 -0.03 0.00 0.00 56.01 56.36 1jez n LEU 239 Cb 0.52 -0.40 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1jez n LEU 239 CO 0.37 -0.33 0.23 -0.26 -1.33 0.00 0.00 177.39 176.07 1jez h PHE 240 N 0.00 0.00 0.00 -1.77 -1.00 -2.00 -3.33 116.94 108.84 1jez h PHE 240 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1jez h PHE 240 Cb 0.08 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.64 1jez h PHE 240 CO 0.00 0.07 -1.48 0.00 -1.61 0.00 0.00 178.31 175.30 1jez n ALA 241 N -2.18 3.73 -1.72 2.45 0.00 -0.46 -4.70 120.51 117.64 1jez n ALA 241 Ca 0.00 -0.55 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 1jez n ALA 241 Cb 0.58 -0.78 -0.02 0.00 0.00 0.00 0.00 19.45 19.23 1jez n ALA 241 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1jez n HIS 242 N -1.90 2.60 -0.30 0.00 -0.00 -1.09 -4.84 115.22 109.69 1jez n HIS 242 Ca 0.00 0.31 -0.04 0.00 -0.00 0.00 0.00 57.72 57.98 1jez n HIS 242 Cb 0.45 -2.55 0.07 0.00 -0.00 0.00 0.00 29.99 27.96 1jez n HIS 242 CO 0.00 0.00 0.00 -0.44 -0.00 0.00 0.00 176.34 175.90 1jez h ASP 243 N 4.70 0.98 -0.22 0.26 3.32 -1.93 0.61 116.42 124.14 1jez h ASP 243 Ca -0.46 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 56.54 1jez h ASP 243 Cb 1.24 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 40.52 1jez h ASP 243 CO 0.79 0.76 0.09 0.74 -1.72 0.00 0.00 179.24 179.90 1jez h THR 244 N 1.12 0.97 -0.23 0.35 2.02 -1.97 0.32 112.91 115.49 1jez h THR 244 Ca 0.29 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.34 1jez h THR 244 Cb -0.05 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 1jez h THR 244 CO -0.06 0.04 -0.09 0.40 0.37 0.00 0.00 175.52 176.19 1jez h ILE 245 N 0.21 1.30 -0.44 3.11 1.08 -1.82 -1.76 117.51 119.18 1jez h ILE 245 Ca 0.09 -1.13 0.04 0.00 -0.39 0.00 0.00 64.86 63.47 1jez h ILE 245 Cb 0.04 1.55 -0.04 0.00 -3.07 0.00 0.00 36.82 35.31 1jez h ILE 245 CO -0.08 0.35 0.22 0.11 -0.69 0.00 0.00 178.15 178.06 1jez h LYS 246 N 0.19 0.43 -0.61 2.37 1.57 -0.73 0.62 116.57 120.41 1jez h LYS 246 Ca 0.05 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1jez h LYS 246 Cb 0.57 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1jez h LYS 246 CO 0.03 0.28 0.27 0.00 -0.57 0.00 0.00 179.45 179.46 1jez h ALA 247 N 1.24 0.79 -0.04 3.86 0.00 -0.30 0.36 119.26 125.16 1jez h ALA 247 Ca 0.19 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1jez h ALA 247 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1jez h ALA 247 CO -0.14 0.38 -0.60 0.82 0.00 0.00 0.00 179.25 179.71 1jez h ILE 248 N 0.84 1.40 -0.08 0.00 2.04 -1.05 0.03 117.51 120.69 1jez h ILE 248 Ca 0.21 -2.01 -0.01 0.00 1.00 0.00 0.00 64.86 64.04 1jez h ILE 248 Cb 0.17 2.04 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 1jez h ILE 248 CO -0.02 0.59 -0.00 0.00 0.00 0.00 0.00 178.15 178.71 1jez h ALA 249 N 1.27 0.10 -0.49 1.87 0.00 -0.54 -2.72 119.26 118.75 1jez h ALA 249 Ca -0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 1jez h ALA 249 Cb 1.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1jez h ALA 249 CO 0.09 -0.21 0.15 0.00 0.00 0.00 0.00 179.25 179.29 1jez h ALA 250 N 0.71 1.35 -1.01 0.00 0.00 -0.82 0.10 119.26 119.60 1jez h ALA 250 Ca 0.02 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.79 1jez h ALA 250 Cb 0.36 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.90 1jez h ALA 250 CO 0.00 0.48 0.67 -0.22 0.00 0.00 0.00 179.25 180.18 1jez h LYS 251 N 0.71 1.30 -0.11 0.00 3.64 -0.74 -2.70 116.57 118.67 1jez h LYS 251 Ca 0.17 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1jez h LYS 251 Cb 0.21 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1jez h LYS 251 CO -0.01 0.86 0.00 0.66 -2.27 0.00 0.00 179.45 178.69 1jez n TYR 252 N -4.40 0.11 -3.36 1.91 4.01 -1.01 -4.96 117.16 109.46 1jez n TYR 252 Ca 0.13 -0.06 -0.17 0.00 -0.16 0.00 0.00 57.90 57.64 1jez n TYR 252 Cb 0.04 -0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.15 1jez n TYR 252 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 1jez n ASN 253 N 1.35 -3.03 -4.47 7.72 5.15 0.13 -5.02 115.26 117.10 1jez n ASN 253 Ca 0.15 -0.55 -0.22 0.00 -0.60 0.00 0.00 54.58 53.35 1jez n ASN 253 Cb 0.59 -4.73 -0.11 0.00 -0.53 0.00 0.00 39.78 35.00 1jez n ASN 253 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1jez s LYS 254 N -5.49 1.67 0.66 1.20 3.01 0.11 -5.02 119.74 115.88 1jez s LYS 254 Ca 0.13 -1.91 -0.08 0.00 -1.01 0.00 0.00 55.97 53.10 1jez s LYS 254 Cb -0.06 -1.06 0.02 0.00 -1.01 0.00 0.00 37.83 35.72 1jez s LYS 254 CO 0.67 -0.11 1.00 0.95 0.51 0.00 0.00 175.35 178.38 1jez s THR 255 N -3.13 3.38 0.30 2.17 -4.23 -1.26 -4.28 115.64 108.59 1jez s THR 255 Ca 0.34 0.17 0.02 0.00 -1.18 0.00 0.00 61.69 61.04 1jez s THR 255 Cb 0.08 -3.40 0.12 0.00 1.34 0.00 0.00 72.50 70.63 1jez s THR 255 CO 0.15 -0.47 1.80 -0.65 -0.54 0.00 0.00 174.62 174.91 1jez h PRO 256 N -0.45 0.58 -0.49 3.99 0.11 -1.91 -2.31 132.00 131.52 1jez h PRO 256 Ca -0.45 -0.16 -0.02 0.00 0.11 0.00 0.00 66.00 65.48 1jez h PRO 256 Cb 1.26 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1jez h PRO 256 CO 0.62 0.66 0.24 0.00 -0.21 0.00 0.00 178.00 179.31 1jez h ALA 257 N 1.38 0.64 -1.01 -0.75 0.00 -1.94 -0.98 119.26 116.60 1jez h ALA 257 Ca 0.10 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.92 1jez h ALA 257 Cb 0.47 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1jez h ALA 257 CO 0.02 0.20 0.66 0.93 0.00 0.00 0.00 179.25 181.07 1jez h GLU 258 N 0.65 1.27 -0.39 0.00 5.08 -1.86 -0.98 114.58 118.36 1jez h GLU 258 Ca 0.17 -0.08 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1jez h GLU 258 Cb 0.12 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1jez h GLU 258 CO -0.02 0.84 0.01 0.28 -1.00 0.00 0.00 179.01 179.12 1jez h VAL 259 N 1.31 1.26 -0.71 3.13 2.07 -0.91 -1.35 116.25 121.05 1jez h VAL 259 Ca 0.39 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1jez h VAL 259 Cb -0.07 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.79 1jez h VAL 259 CO -0.11 0.33 0.33 -0.07 0.02 0.00 0.00 177.57 178.07 1jez h LEU 260 N 0.51 0.94 -0.37 2.57 3.38 -0.70 0.41 115.31 122.05 1jez h LEU 260 Ca 0.11 -0.14 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1jez h LEU 260 Cb 0.45 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1jez h LEU 260 CO 0.02 0.82 -0.28 -0.07 0.09 0.00 0.00 178.44 179.02 1jez h LEU 261 N 1.00 0.89 -1.06 1.67 3.38 -1.11 -2.94 115.31 117.14 1jez h LEU 261 Ca 0.24 -0.44 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 1jez h LEU 261 Cb 0.14 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1jez h LEU 261 CO -0.03 1.14 -0.41 -0.09 0.09 0.00 0.00 178.44 179.15 1jez h ARG 262 N 0.65 0.12 -0.82 1.13 9.65 -1.09 0.01 114.38 124.03 1jez h ARG 262 Ca 0.07 -0.06 0.06 0.00 -1.10 0.00 0.00 59.98 58.95 1jez h ARG 262 Cb 0.86 -0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.38 1jez h ARG 262 CO 0.07 0.52 0.54 2.35 2.80 0.00 0.00 179.97 186.25 1jez h TRP 263 N 0.10 0.92 0.00 2.20 7.01 -0.74 0.10 115.95 125.55 1jez h TRP 263 Ca 0.01 0.02 -0.13 0.00 2.11 0.00 0.00 58.89 60.90 1jez h TRP 263 Cb 0.77 -0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 27.51 1jez h TRP 263 CO 0.01 0.49 -0.72 0.00 -2.79 0.00 0.00 178.44 175.42 1jez h ALA 264 N 1.55 0.15 -0.63 2.65 0.00 -1.37 -3.35 119.26 118.26 1jez h ALA 264 Ca 0.35 -0.90 0.12 0.00 0.00 0.00 0.00 54.91 54.47 1jez h ALA 264 Cb 0.20 0.42 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 1jez h ALA 264 CO -0.12 0.40 0.17 0.00 0.00 0.00 0.00 179.25 179.70 1jez h ALA 265 N -0.27 0.78 0.00 0.00 0.00 -0.85 0.38 119.26 119.29 1jez h ALA 265 Ca -0.20 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jez h ALA 265 Cb 1.19 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1jez h ALA 265 CO -0.11 -0.28 -0.00 0.37 0.00 0.00 0.00 179.25 179.22 1jez h GLN 266 N 0.31 0.00 -0.64 0.00 4.15 -0.96 0.29 115.11 118.25 1jez h GLN 266 Ca 0.33 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.75 1jez h GLN 266 Cb 0.49 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1jez h GLN 266 CO -0.40 0.00 0.00 0.54 -1.93 0.00 0.00 178.83 177.05 1jez n ARG 267 N -3.84 3.97 -1.41 1.69 1.74 0.07 -4.91 116.66 113.96 1jez n ARG 267 Ca -0.03 -2.64 -0.04 0.00 -0.77 0.00 0.00 57.85 54.38 1jez n ARG 267 Cb 0.09 -2.02 -0.01 0.00 -1.02 0.00 0.00 32.46 29.49 1jez n ARG 267 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jez n GLY 268 N 0.76 0.52 3.55 -0.13 0.00 0.09 -5.04 105.19 104.94 1jez n GLY 268 Ca 0.23 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 1jez n GLY 268 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jez s ILE 269 N -2.15 4.73 0.51 -0.61 1.01 -0.91 -4.64 121.20 119.14 1jez s ILE 269 Ca 0.00 -0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.41 1jez s ILE 269 Cb 0.00 -3.20 -0.07 0.00 0.01 0.00 0.00 42.46 39.21 1jez s ILE 269 CO 0.00 0.36 1.14 0.00 0.00 0.00 0.00 174.94 176.44 1jez s ALA 270 N 1.22 2.81 0.10 9.38 0.00 -0.33 -3.56 121.76 131.39 1jez s ALA 270 Ca 0.05 0.87 0.06 0.00 0.00 0.00 0.00 51.96 52.94 1jez s ALA 270 Cb -0.14 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.57 1jez s ALA 270 CO 0.04 -0.72 -0.15 0.14 0.00 0.00 0.00 175.76 175.07 1jez s VAL 271 N -1.68 1.33 -0.45 0.00 -7.23 0.11 -0.93 120.40 111.55 1jez s VAL 271 Ca 0.69 -1.57 0.03 0.00 -1.81 0.00 0.00 61.98 59.32 1jez s VAL 271 Cb -0.26 -1.40 0.12 0.00 0.56 0.00 0.00 36.38 35.40 1jez s VAL 271 CO 0.30 -0.30 0.20 -0.63 -0.31 0.00 0.00 175.10 174.36 1jez s ILE 272 N -1.73 2.13 -0.08 -0.62 -1.09 -1.20 -0.72 121.20 117.89 1jez s ILE 272 Ca 0.05 -2.83 -0.39 0.00 -2.23 0.00 0.00 60.65 55.26 1jez s ILE 272 Cb -0.07 -2.51 -0.17 0.00 -1.58 0.00 0.00 42.46 38.13 1jez s ILE 272 CO 0.03 -0.78 1.44 -2.65 -1.23 0.00 0.00 174.94 171.76 1jez n PRO 273 N 3.55 0.89 0.27 2.79 -0.02 -1.24 -4.58 135.00 136.66 1jez n PRO 273 Ca 0.05 0.32 0.10 0.00 -2.02 0.00 0.00 63.50 61.96 1jez n PRO 273 Cb 0.35 -1.95 0.72 0.00 -0.02 0.00 0.00 33.50 32.60 1jez n PRO 273 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1jez h LYS 274 N 5.15 0.00 0.00 -0.52 1.57 -1.96 -3.41 116.57 117.40 1jez h LYS 274 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1jez h LYS 274 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1jez h LYS 274 CO 0.83 0.03 0.00 -1.13 -0.57 0.00 0.00 179.45 178.61 1jez n SER 275 N -4.23 0.00 -0.03 0.86 3.41 -1.26 -5.02 113.62 107.35 1jez n SER 275 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1jez n SER 275 Cb 0.12 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1jez n SER 275 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1jez n ASN 276 N 0.00 -0.23 -4.69 4.04 4.13 -1.26 -4.94 115.26 112.32 1jez n ASN 276 Ca 0.00 0.00 -0.42 0.00 1.68 0.00 0.00 54.58 55.84 1jez n ASN 276 Cb 0.00 -0.08 -0.03 0.00 -1.54 0.00 0.00 39.78 38.13 1jez n ASN 276 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1jez s LEU 277 N -0.06 4.36 0.00 3.41 2.96 -1.26 -4.57 118.68 123.52 1jez s LEU 277 Ca 0.00 2.44 0.00 0.00 -0.22 0.00 0.00 54.13 56.35 1jez s LEU 277 Cb 0.00 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.13 1jez s LEU 277 CO 0.00 -0.87 0.00 -2.65 -1.32 0.00 0.00 176.35 171.51 1jez n PRO 278 N 5.63 0.00 -0.07 0.98 -0.02 -1.26 0.23 135.00 140.49 1jez n PRO 278 Ca 0.16 0.00 -0.15 0.00 -2.02 0.00 0.00 63.50 61.49 1jez n PRO 278 Cb 0.41 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.83 1jez n PRO 278 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1jez h GLU 279 N 0.00 0.70 0.00 -0.52 9.09 -2.05 -3.15 114.58 118.65 1jez h GLU 279 Ca 0.00 -0.45 0.00 0.00 0.05 0.00 0.00 59.36 58.96 1jez h GLU 279 Cb 0.00 0.05 0.00 0.00 -1.65 0.00 0.00 28.75 27.15 1jez h GLU 279 CO 0.00 1.07 0.00 0.54 0.05 0.00 0.00 179.01 180.67 1jez n ARG 280 N -4.18 0.30 0.11 1.06 1.74 0.62 -3.97 116.66 112.34 1jez n ARG 280 Ca -0.05 0.09 -0.10 0.00 -0.77 0.00 0.00 57.85 57.02 1jez n ARG 280 Cb 0.56 -1.50 -0.05 0.00 -1.02 0.00 0.00 32.46 30.45 1jez n ARG 280 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1jez h LEU 281 N 0.00 -0.82 -1.45 0.55 3.38 -1.55 0.38 115.31 115.81 1jez h LEU 281 Ca 0.00 0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.06 1jez h LEU 281 Cb 0.07 0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1jez h LEU 281 CO 0.00 -0.34 0.39 0.58 0.09 0.00 0.00 178.44 179.16 1jez h VAL 282 N -0.49 1.12 0.23 1.22 2.07 -1.83 -2.99 116.25 115.59 1jez h VAL 282 Ca -0.02 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1jez h VAL 282 Cb 0.45 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1jez h VAL 282 CO -0.09 0.14 -0.11 1.56 0.02 0.00 0.00 177.57 179.08 1jez h GLN 283 N 0.75 -0.30 0.00 1.57 4.20 -1.70 -3.03 115.11 116.59 1jez h GLN 283 Ca 0.22 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.95 1jez h GLN 283 Cb -0.03 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.82 1jez h GLN 283 CO -0.05 -0.06 0.00 0.09 -0.67 0.00 0.00 178.83 178.14 1jez n ASN 284 N -5.14 0.00 0.00 1.46 3.02 0.10 -2.19 115.26 112.51 1jez n ASN 284 Ca -0.09 -0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 1jez n ASN 284 Cb 0.21 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.38 1jez n ASN 284 CO 0.00 0.00 0.00 -2.11 -2.62 0.00 0.00 177.26 172.53 1jez n ARG 285 N -0.90 0.24 -2.42 3.52 1.85 -1.15 -4.78 116.66 113.02 1jez n ARG 285 Ca 0.02 -0.56 -0.07 0.00 -1.00 0.00 0.00 57.85 56.24 1jez n ARG 285 Cb 0.01 -0.78 0.04 0.00 -1.05 0.00 0.00 32.46 30.68 1jez n ARG 285 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1jez n SER 286 N -0.10 2.63 -0.42 2.89 3.41 -0.93 -4.70 113.62 116.39 1jez n SER 286 Ca 0.00 -2.64 0.14 0.00 -0.26 0.00 0.00 58.87 56.11 1jez n SER 286 Cb 0.20 -0.43 0.52 0.00 -0.26 0.00 0.00 64.21 64.24 1jez n SER 286 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1jez n PHE 287 N -0.59 0.00 -1.33 7.33 1.16 -1.24 -4.50 117.46 118.29 1jez n PHE 287 Ca 0.19 0.00 -0.23 0.00 -1.87 0.00 0.00 57.45 55.55 1jez n PHE 287 Cb 0.87 -0.02 -0.10 0.00 -1.61 0.00 0.00 39.48 38.62 1jez n PHE 287 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 1jez n ASN 288 N -0.02 6.19 -0.93 5.98 3.02 -1.26 -4.41 115.26 123.83 1jez n ASN 288 Ca 0.18 -2.91 0.08 0.00 -0.03 0.00 0.00 54.58 51.90 1jez n ASN 288 Cb 0.34 -1.32 0.23 0.00 -0.61 0.00 0.00 39.78 38.42 1jez n ASN 288 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1jez n THR 289 N 1.63 1.35 -3.69 3.41 -2.24 -1.26 -5.01 114.28 108.47 1jez n THR 289 Ca 0.49 -1.18 -0.10 0.00 -2.27 0.00 0.00 64.05 60.99 1jez n THR 289 Cb 0.66 0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 69.17 1jez n THR 289 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1jez s PHE 290 N -1.44 -0.22 -0.03 4.78 -0.71 -1.26 -5.18 117.98 113.91 1jez s PHE 290 Ca 0.34 -0.11 0.07 0.00 -1.04 0.00 0.00 56.93 56.19 1jez s PHE 290 Cb 0.21 0.48 -0.02 0.00 -1.21 0.00 0.00 43.02 42.48 1jez s PHE 290 CO 0.18 -0.96 -0.25 -0.51 -1.34 0.00 0.00 175.22 172.35 1jez s ASP 291 N -2.85 3.15 0.28 1.98 1.01 -1.26 -5.08 116.67 113.91 1jez s ASP 291 Ca 0.08 -0.45 -0.14 0.00 0.71 0.00 0.00 52.55 52.75 1jez s ASP 291 Cb -0.02 -0.52 -0.08 0.00 1.01 0.00 0.00 42.92 43.31 1jez s ASP 291 CO -0.03 0.30 0.67 -0.76 0.21 0.00 0.00 175.17 175.56 1jez s LEU 292 N -0.51 4.12 0.49 1.23 1.43 -1.26 -5.08 118.68 119.09 1jez s LEU 292 Ca 0.07 1.17 0.09 0.00 -1.03 0.00 0.00 54.13 54.42 1jez s LEU 292 Cb -0.11 -3.91 0.04 0.00 0.03 0.00 0.00 46.19 42.24 1jez s LEU 292 CO 0.00 -0.14 0.65 0.42 0.23 0.00 0.00 176.35 177.51 1jez s THR 293 N -1.89 2.62 0.21 5.49 -4.23 -1.26 -4.94 115.64 111.63 1jez s THR 293 Ca 0.51 -1.02 -0.09 0.00 -1.18 0.00 0.00 61.69 59.91 1jez s THR 293 Cb -0.11 -2.64 0.14 0.00 1.34 0.00 0.00 72.50 71.24 1jez s THR 293 CO 0.19 0.00 1.79 0.50 -0.54 0.00 0.00 174.62 176.55 1jez h LYS 294 N 0.47 0.58 -0.66 3.99 3.64 -1.99 -0.45 116.57 122.15 1jez h LYS 294 Ca -0.36 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1jez h LYS 294 Cb 1.28 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 1jez h LYS 294 CO 0.44 0.38 0.39 0.93 -2.27 0.00 0.00 179.45 179.33 1jez h GLU 295 N 0.60 0.90 -0.17 1.90 3.07 -1.99 -0.36 114.58 118.53 1jez h GLU 295 Ca 0.30 -0.08 0.02 0.00 -0.50 0.00 0.00 59.36 59.10 1jez h GLU 295 Cb 0.26 -0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1jez h GLU 295 CO -0.22 0.64 0.05 -0.44 -1.40 0.00 0.00 179.01 177.64 1jez h ASP 296 N 0.90 0.06 -0.93 1.42 3.32 -1.66 -0.74 116.42 118.78 1jez h ASP 296 Ca 0.24 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.32 1jez h ASP 296 Cb -0.02 0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 1jez h ASP 296 CO -0.04 0.06 0.61 -0.26 -1.72 0.00 0.00 179.24 177.89 1jez h PHE 297 N 0.13 1.15 -0.21 4.55 0.04 -0.69 -0.25 116.94 121.66 1jez h PHE 297 Ca 0.07 0.03 -0.11 0.00 2.80 0.00 0.00 57.97 60.76 1jez h PHE 297 Cb 0.05 -0.39 -0.01 0.00 2.20 0.00 0.00 35.95 37.80 1jez h PHE 297 CO -0.11 0.70 -0.33 0.93 -0.60 0.00 0.00 178.31 178.89 1jez h GLU 298 N 1.22 0.44 -0.11 1.51 5.08 -0.67 -0.15 114.58 121.91 1jez h GLU 298 Ca 0.35 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1jez h GLU 298 Cb -0.09 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 1jez h GLU 298 CO -0.09 0.72 -0.02 0.93 -1.00 0.00 0.00 179.01 179.56 1jez h GLU 299 N 0.37 0.20 -0.32 2.33 4.39 -0.32 -3.01 114.58 118.22 1jez h GLU 299 Ca 0.04 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 1jez h GLU 299 Cb 0.77 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.39 1jez h GLU 299 CO 0.06 0.49 -0.08 0.82 -1.16 0.00 0.00 179.01 179.14 1jez h ILE 300 N -0.10 1.22 -0.13 3.13 2.04 -0.94 -2.55 117.51 120.19 1jez h ILE 300 Ca 0.03 -0.95 0.04 0.00 1.00 0.00 0.00 64.86 64.98 1jez h ILE 300 Cb 0.40 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1jez h ILE 300 CO 0.01 0.31 0.16 0.00 0.00 0.00 0.00 178.15 178.63 1jez h ALA 301 N 1.43 1.70 0.00 1.87 0.00 -0.89 -0.39 119.26 122.98 1jez h ALA 301 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jez h ALA 301 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1jez h ALA 301 CO 0.02 -0.22 0.00 1.63 0.00 0.00 0.00 179.25 180.68 1jez n LYS 302 N -3.76 0.22 0.09 0.00 5.02 -0.96 -2.62 118.16 116.15 1jez n LYS 302 Ca 0.00 0.36 0.13 0.00 -2.02 0.00 0.00 58.31 56.78 1jez n LYS 302 Cb 0.27 -1.85 0.44 0.00 -0.02 0.00 0.00 35.03 33.86 1jez n LYS 302 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1jez n LEU 303 N -2.25 0.68 -4.55 -0.35 4.77 -0.16 -4.78 117.00 110.36 1jez n LEU 303 Ca 0.03 0.58 -0.34 0.00 -0.03 0.00 0.00 56.01 56.24 1jez n LEU 303 Cb 0.29 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 1jez n LEU 303 CO 0.23 -0.21 1.79 -0.62 -1.33 0.00 0.00 177.39 177.25 1jez s ASP 304 N -4.27 4.68 0.00 -1.43 2.15 -0.80 -4.29 116.67 112.71 1jez s ASP 304 Ca 0.10 0.67 0.14 0.00 0.43 0.00 0.00 52.55 53.89 1jez s ASP 304 Cb 0.13 -2.52 0.28 0.00 -0.30 0.00 0.00 42.92 40.51 1jez s ASP 304 CO 0.56 -2.81 1.18 2.30 -0.17 0.00 0.00 175.17 176.22 1jez n ILE 305 N 7.81 0.62 -2.85 4.11 -5.35 -1.10 -4.98 119.36 117.62 1jez n ILE 305 Ca 0.33 -0.81 -0.14 0.00 -0.27 0.00 0.00 62.75 61.85 1jez n ILE 305 Cb 0.53 0.80 0.03 0.00 -1.74 0.00 0.00 39.64 39.26 1jez n ILE 305 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jez n GLY 306 N 0.78 -0.06 3.55 3.28 0.00 0.25 -4.97 105.19 108.01 1jez n GLY 306 Ca 0.12 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.54 1jez n GLY 306 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jez s LEU 307 N -4.54 4.33 -0.33 0.99 2.96 0.53 -4.96 118.68 117.66 1jez s LEU 307 Ca 0.24 -0.03 -0.07 0.00 -0.22 0.00 0.00 54.13 54.04 1jez s LEU 307 Cb -0.10 -2.78 0.03 0.00 0.50 0.00 0.00 46.19 43.83 1jez s LEU 307 CO 0.29 -0.68 0.12 -0.60 -1.32 0.00 0.00 176.35 174.16 1jez s ARG 308 N 2.80 2.80 0.17 1.98 3.52 -1.26 -4.24 118.95 124.73 1jez s ARG 308 Ca 0.24 -1.06 0.10 0.00 -0.13 0.00 0.00 55.73 54.88 1jez s ARG 308 Cb -0.14 -3.49 -0.11 0.00 -1.56 0.00 0.00 34.95 29.65 1jez s ARG 308 CO 0.17 -0.60 1.33 0.74 -0.81 0.00 0.00 175.30 176.13 1jez h PHE 309 N 8.26 0.00 -3.60 5.12 0.04 -2.00 -3.40 116.94 121.37 1jez h PHE 309 Ca -0.26 0.00 -0.74 0.00 2.80 0.00 0.00 57.97 59.77 1jez h PHE 309 Cb 1.10 0.00 -0.31 0.00 2.20 0.00 0.00 35.95 38.94 1jez h PHE 309 CO 0.59 0.82 -0.20 1.21 -0.60 0.00 0.00 178.31 180.14 1jez s ASN 310 N -6.61 5.87 -0.19 2.17 2.47 -1.26 -5.02 114.94 112.37 1jez s ASN 310 Ca 0.02 -2.63 -0.00 0.00 0.42 0.00 0.00 52.86 50.66 1jez s ASN 310 Cb 0.09 -2.01 0.05 0.00 -1.45 0.00 0.00 41.25 37.93 1jez s ASN 310 CO 0.79 -0.50 -0.04 -0.62 -3.72 0.00 0.00 177.10 173.01 1jez s ASP 311 N 1.57 3.09 0.09 -4.21 -1.08 -1.26 -4.99 116.67 109.88 1jez s ASP 311 Ca 0.15 -0.80 0.06 0.00 -0.52 0.00 0.00 52.55 51.44 1jez s ASP 311 Cb -0.18 -0.95 0.32 0.00 -1.46 0.00 0.00 42.92 40.65 1jez s ASP 311 CO -0.05 -0.21 1.17 -2.65 0.52 0.00 0.00 175.17 173.95 1jez n PRO 312 N 4.84 0.04 0.14 4.34 -0.02 -1.26 -1.12 135.00 141.96 1jez n PRO 312 Ca -0.12 0.53 0.02 0.00 -2.02 0.00 0.00 63.50 61.91 1jez n PRO 312 Cb 0.47 -1.63 0.37 0.00 -0.02 0.00 0.00 33.50 32.68 1jez n PRO 312 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 1jez h TRP 313 N 0.00 0.18 0.00 6.00 2.91 -1.90 -1.95 115.95 121.19 1jez h TRP 313 Ca 0.00 -0.03 -0.01 0.00 1.13 0.00 0.00 58.89 59.98 1jez h TRP 313 Cb 0.02 -0.05 -0.00 0.00 -0.51 0.00 0.00 29.16 28.62 1jez h TRP 313 CO 0.00 0.39 -0.05 -0.44 -1.03 0.00 0.00 178.44 177.32 1jez h ASP 314 N 0.16 0.00 0.10 2.65 3.32 -1.46 0.10 116.42 121.29 1jez h ASP 314 Ca 0.03 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.07 1jez h ASP 314 Cb 0.50 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.05 1jez h ASP 314 CO 0.03 0.05 -0.05 -0.50 -1.72 0.00 0.00 179.24 177.05 1jez h TRP 315 N 0.00 -0.12 -0.07 4.55 6.55 -1.49 -3.43 115.95 121.93 1jez h TRP 315 Ca -0.00 -0.00 -0.18 0.00 0.95 0.00 0.00 58.89 59.65 1jez h TRP 315 Cb 0.77 0.04 -0.19 0.00 -0.86 0.00 0.00 29.16 28.92 1jez h TRP 315 CO 0.00 0.32 -0.41 -3.47 -1.05 0.00 0.00 178.44 173.83 1jez n ASP 316 N -4.83 -1.02 -3.88 -3.49 2.03 -1.17 -4.99 116.55 99.21 1jez n ASP 316 Ca -0.06 -2.21 -0.27 0.00 0.52 0.00 0.00 54.79 52.77 1jez n ASP 316 Cb 0.25 0.52 0.01 0.00 -0.72 0.00 0.00 41.12 41.18 1jez n ASP 316 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1jez n ASN 317 N -1.36 -2.69 -4.60 1.67 5.03 0.02 -4.91 115.26 108.43 1jez n ASN 317 Ca -0.13 -0.85 -0.43 0.00 0.87 0.00 0.00 54.58 54.03 1jez n ASN 317 Cb 0.87 -3.69 -0.04 0.00 -1.02 0.00 0.00 39.78 35.90 1jez n ASN 317 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1jez s ILE 318 N -3.53 4.52 0.00 2.41 1.01 -1.03 -4.91 121.20 119.67 1jez s ILE 318 Ca 0.34 1.12 0.00 0.00 0.00 0.00 0.00 60.65 62.11 1jez s ILE 318 Cb -0.17 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 37.91 1jez s ILE 318 CO 0.84 -0.64 0.73 -0.81 0.00 0.00 0.00 174.94 175.06 1jez n PRO 319 N 6.95 0.40 -0.21 2.79 -0.04 -1.26 -3.17 135.00 140.47 1jez n PRO 319 Ca 0.07 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.47 1jez n PRO 319 Cb 0.48 -1.30 0.08 0.00 -0.04 0.00 0.00 33.50 32.72 1jez n PRO 319 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1jez h ILE 320 N 1.40 1.26 -0.41 0.52 1.08 -1.93 -3.25 117.51 116.19 1jez h ILE 320 Ca 0.00 -1.01 -0.16 0.00 -0.39 0.00 0.00 64.86 63.30 1jez h ILE 320 Cb 0.40 0.67 -0.09 0.00 -3.07 0.00 0.00 36.82 34.73 1jez h ILE 320 CO 0.00 0.38 0.04 0.49 -0.69 0.00 0.00 178.15 178.36 1jez n PHE 321 N -4.22 1.31 -0.01 1.37 3.72 -1.26 -4.72 117.46 113.65 1jez n PHE 321 Ca 0.04 -1.38 0.00 0.00 -0.05 0.00 0.00 57.45 56.06 1jez n PHE 321 Cb 0.29 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.33 1jez n PHE 321 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04