#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jez s ASP 7 N 0.00 6.41 -0.11 2.55 1.01 -1.26 -1.76 116.67 123.51 1jez s ASP 7 Ca 0.00 0.59 -0.01 0.00 0.71 0.00 0.00 52.55 53.83 1jez s ASP 7 Cb 0.00 -2.09 -0.03 0.00 1.01 0.00 0.00 42.92 41.81 1jez s ASP 7 CO 0.00 -0.16 -0.05 -0.63 0.21 0.00 0.00 175.17 174.54 1jez s ILE 8 N -2.04 3.86 -0.34 0.77 1.01 0.12 -4.87 121.20 119.71 1jez s ILE 8 Ca 0.42 -0.40 -0.20 0.00 0.00 0.00 0.00 60.65 60.47 1jez s ILE 8 Cb -0.11 -2.63 -0.00 0.00 0.01 0.00 0.00 42.46 39.73 1jez s ILE 8 CO 0.30 0.56 0.63 -0.75 0.00 0.00 0.00 174.94 175.68 1jez s LYS 9 N -0.34 3.75 0.73 2.79 2.20 -1.26 -0.26 119.74 127.35 1jez s LYS 9 Ca 0.05 0.13 -0.11 0.00 -0.36 0.00 0.00 55.97 55.69 1jez s LYS 9 Cb -0.12 -3.78 0.03 0.00 -1.51 0.00 0.00 37.83 32.44 1jez s LYS 9 CO 0.02 -0.68 1.07 -0.51 -0.36 0.00 0.00 175.35 174.89 1jez s LEU 10 N 2.67 3.06 0.44 5.43 1.43 -0.23 -4.90 118.68 126.59 1jez s LEU 10 Ca 0.25 1.69 0.30 0.00 -1.03 0.00 0.00 54.13 55.34 1jez s LEU 10 Cb -0.15 -4.48 1.61 0.00 0.03 0.00 0.00 46.19 43.20 1jez s LEU 10 CO 0.14 -1.73 1.91 0.77 0.23 0.00 0.00 176.35 177.67 1jez h SER 11 N -0.92 0.00 0.74 2.29 4.64 -1.82 0.14 113.55 118.62 1jez h SER 11 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1jez h SER 11 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1jez h SER 11 CO 0.54 0.00 -0.07 -1.54 -0.87 0.00 0.00 176.83 174.89 1jez n SER 12 N -2.55 0.13 0.00 4.97 3.41 -1.26 -4.91 113.62 113.40 1jez n SER 12 Ca -0.02 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1jez n SER 12 Cb 0.05 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 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 1.41 3.38 3.78 5.00 0.00 0.49 -5.05 105.19 114.20 1jez n GLY 13 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.59 3.63 0.09 1.61 4.02 -1.26 -4.73 115.29 116.07 1jez s HIS 14 Ca 0.00 1.76 -0.22 0.00 1.02 0.00 0.00 55.06 57.62 1jez s HIS 14 Cb 0.00 -2.94 -0.07 0.00 -1.02 0.00 0.00 32.58 28.55 1jez s HIS 14 CO 0.00 0.11 0.67 -0.51 1.02 0.00 0.00 174.74 176.03 1jez s LEU 15 N -2.18 4.53 -0.07 0.89 1.43 -1.26 -1.07 118.68 120.95 1jez s LEU 15 Ca 0.52 1.40 0.01 0.00 -1.03 0.00 0.00 54.13 55.03 1jez s LEU 15 Cb -0.18 -3.07 0.02 0.00 0.03 0.00 0.00 46.19 42.98 1jez s LEU 15 CO 0.23 0.20 -0.09 -0.32 0.23 0.00 0.00 176.35 176.60 1jez s MET 16 N -0.89 1.43 0.29 1.70 1.75 0.64 -4.93 119.30 119.29 1jez s MET 16 Ca 0.33 -0.30 -0.30 0.00 -1.25 0.00 0.00 55.69 54.17 1jez s MET 16 Cb -0.21 -1.28 -0.12 0.00 2.84 0.00 0.00 34.83 36.06 1jez s MET 16 CO 0.22 -0.05 1.53 -2.30 -0.65 0.00 0.00 175.02 173.76 1jez n PRO 17 N 4.08 2.51 0.24 4.11 -0.02 -1.26 0.13 135.00 144.79 1jez n PRO 17 Ca -0.21 0.89 0.14 0.00 -2.02 0.00 0.00 63.50 62.30 1jez n PRO 17 Cb 0.51 -2.63 0.43 0.00 -0.02 0.00 0.00 33.50 31.79 1jez n PRO 17 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jez h SER 18 N 4.37 0.00 -3.48 2.55 4.64 -1.68 -3.42 113.55 116.53 1jez h SER 18 Ca -0.47 0.00 -0.67 0.00 -0.47 0.00 0.00 61.79 60.18 1jez h SER 18 Cb 1.24 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.97 1jez h SER 18 CO 0.76 0.00 -0.82 -0.63 -0.87 0.00 0.00 176.83 175.27 1jez s ILE 19 N -3.41 2.15 0.45 0.95 1.01 -1.26 -0.79 121.20 120.30 1jez s ILE 19 Ca 0.04 -1.29 0.06 0.00 0.00 0.00 0.00 60.65 59.46 1jez s ILE 19 Cb 0.07 -2.10 -0.03 0.00 0.01 0.00 0.00 42.46 40.41 1jez s ILE 19 CO 0.60 0.24 0.19 -0.83 0.00 0.00 0.00 174.94 175.13 1jez s GLY 20 N 1.20 2.45 -0.25 6.18 0.00 -0.29 -4.49 107.32 112.12 1jez s GLY 20 Ca -0.02 -1.73 -0.07 0.00 0.00 0.00 0.00 44.72 42.90 1jez s GLY 20 CO -0.09 -1.97 0.06 -0.12 0.00 0.00 0.00 173.10 170.98 1jez s PHE 21 N -2.68 3.07 0.03 1.90 5.36 0.11 -3.38 117.98 122.39 1jez s PHE 21 Ca 0.34 -0.47 -0.30 0.00 -0.96 0.00 0.00 56.93 55.54 1jez s PHE 21 Cb 0.03 -2.23 -0.04 0.00 -0.34 0.00 0.00 43.02 40.44 1jez s PHE 21 CO 0.19 -0.37 1.10 0.20 -1.46 0.00 0.00 175.22 174.88 1jez s GLY 22 N 1.60 2.60 0.00 13.12 0.00 -1.26 -0.69 107.32 122.69 1jez s GLY 22 Ca 0.06 0.70 0.23 0.00 0.00 0.00 0.00 44.72 45.72 1jez s GLY 22 CO 0.03 1.90 1.19 0.00 0.00 0.00 0.00 173.10 176.22 1jez s TRP 24 N -2.40 2.54 -1.85 0.00 -0.00 -1.26 -1.60 118.94 114.38 1jez s TRP 24 Ca 0.21 0.18 0.00 0.00 -0.00 0.00 0.00 56.10 56.49 1jez s TRP 24 Cb 0.19 -4.15 0.00 0.00 -0.00 0.00 0.00 33.47 29.51 1jez s TRP 24 CO 0.52 -4.54 0.00 1.63 -0.00 0.00 0.00 176.95 174.56 1jez n LYS 25 N 4.81 -1.30 -2.52 5.86 4.76 -1.26 -4.94 118.16 123.57 1jez n LYS 25 Ca 0.17 1.08 -0.43 0.00 -2.87 0.00 0.00 58.31 56.26 1jez n LYS 25 Cb 0.37 -5.40 -0.02 0.00 -1.84 0.00 0.00 35.03 28.13 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 -4.36 3.63 0.25 -0.35 2.96 -0.63 -4.96 118.68 115.22 1jez s LEU 26 Ca 0.00 0.61 -0.30 0.00 -0.22 0.00 0.00 54.13 54.22 1jez s LEU 26 Cb 0.00 -3.55 -0.14 0.00 0.50 0.00 0.00 46.19 43.00 1jez s LEU 26 CO 0.00 -1.30 1.12 0.00 -1.32 0.00 0.00 176.35 174.85 1jez n ALA 27 N 8.14 -0.18 -0.29 5.97 0.00 -1.26 -4.69 120.51 128.20 1jez n ALA 27 Ca 0.14 0.42 0.03 0.00 0.00 0.00 0.00 53.44 54.03 1jez n ALA 27 Cb 0.49 -2.06 0.17 0.00 0.00 0.00 0.00 19.45 18.05 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 2.75 0.67 0.55 0.00 4.21 -1.93 0.45 115.58 122.29 1jez h ASN 28 Ca -0.42 0.05 -0.02 0.00 1.21 0.00 0.00 56.30 57.13 1jez h ASN 28 Cb 1.33 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 38.45 1jez h ASN 28 CO 0.66 0.37 -0.07 0.00 -1.29 0.00 0.00 177.43 177.10 1jez h ALA 29 N 1.47 1.11 0.00 -0.83 0.00 -2.02 -3.20 119.26 115.79 1jez h ALA 29 Ca 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1jez h ALA 29 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1jez h ALA 29 CO -0.26 0.09 0.00 0.25 0.00 0.00 0.00 179.25 179.33 1jez n THR 30 N -3.33 0.33 0.08 0.00 -2.24 -0.84 -4.80 114.28 103.47 1jez n THR 30 Ca -0.01 -0.63 -0.13 0.00 -2.27 0.00 0.00 64.05 61.01 1jez n THR 30 Cb 0.25 0.88 -0.08 0.00 -2.10 0.00 0.00 70.33 69.28 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 0.00 -0.14 -0.38 6.98 0.00 -0.92 -0.73 119.26 124.06 1jez h ALA 31 Ca 0.00 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.89 1jez h ALA 31 Cb 0.21 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.00 1jez h ALA 31 CO 0.00 -0.52 0.05 0.78 0.00 0.00 0.00 179.25 179.56 1jez h GLY 32 N -0.25 0.42 0.98 0.00 0.00 -1.78 0.27 103.07 102.71 1jez h GLY 32 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 1jez h GLY 32 CO 0.02 -0.06 0.08 -2.09 0.00 0.00 0.00 176.54 174.50 1jez h GLU 33 N 0.16 0.80 -0.26 4.80 4.57 -1.86 -2.06 114.58 120.72 1jez h GLU 33 Ca 0.19 -0.21 -0.13 0.00 -1.18 0.00 0.00 59.36 58.02 1jez h GLU 33 Cb 0.24 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 1jez h GLU 33 CO -0.27 0.80 -0.37 1.96 -1.18 0.00 0.00 179.01 179.94 1jez h GLN 34 N 0.67 0.60 -0.58 1.92 4.20 -0.76 -1.38 115.11 119.77 1jez h GLN 34 Ca 0.15 -0.29 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 1jez h GLN 34 Cb 0.39 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1jez h GLN 34 CO 0.01 0.88 0.16 0.28 -0.67 0.00 0.00 178.83 179.49 1jez h VAL 35 N 0.50 1.25 0.54 -0.54 2.07 -0.86 -0.20 116.25 119.01 1jez h VAL 35 Ca 0.05 -0.86 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 1jez h VAL 35 Cb 0.88 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1jez h VAL 35 CO 0.08 0.32 -0.28 0.22 0.02 0.00 0.00 177.57 177.93 1jez h TYR 36 N 0.83 -0.72 -0.46 1.57 3.20 -1.16 -1.41 116.97 118.81 1jez h TYR 36 Ca 0.19 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.07 1jez h TYR 36 Cb 0.32 0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 1jez h TYR 36 CO 0.02 -0.44 0.31 1.96 -1.64 0.00 0.00 178.16 178.37 1jez h GLN 37 N -0.75 0.49 -0.73 1.82 1.08 -1.17 -0.65 115.11 115.20 1jez h GLN 37 Ca -0.07 -0.03 -0.06 0.00 -1.45 0.00 0.00 58.65 57.04 1jez h GLN 37 Cb 0.59 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 1jez h GLN 37 CO 0.11 0.32 0.23 0.00 -0.95 0.00 0.00 178.83 178.54 1jez h ALA 38 N 1.73 1.02 -0.27 3.87 0.00 -0.61 0.22 119.26 125.23 1jez h ALA 38 Ca 0.19 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1jez h ALA 38 Cb 0.12 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1jez h ALA 38 CO -0.05 0.66 0.03 0.82 0.00 0.00 0.00 179.25 180.71 1jez h ILE 39 N 1.09 1.24 0.00 0.00 2.04 -0.05 -0.28 117.51 121.54 1jez h ILE 39 Ca 0.24 -0.82 -0.02 0.00 1.00 0.00 0.00 64.86 65.26 1jez h ILE 39 Cb 0.30 1.24 -0.00 0.00 -0.74 0.00 0.00 36.82 37.62 1jez h ILE 39 CO -0.01 0.26 -0.08 0.11 0.00 0.00 0.00 178.15 178.44 1jez h LYS 40 N 0.27 0.00 -0.07 2.37 1.57 -1.05 -0.67 116.57 118.99 1jez h LYS 40 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 1jez h LYS 40 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1jez h LYS 40 CO 0.01 0.08 0.00 0.00 -0.57 0.00 0.00 179.45 178.96 1jez n ALA 41 N -2.42 2.57 0.00 3.86 0.00 0.04 -4.91 120.51 119.66 1jez n ALA 41 Ca -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1jez n ALA 41 Cb 0.16 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.40 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 0.98 1.01 3.76 0.00 0.00 -0.26 -4.80 105.19 105.88 1jez n GLY 42 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.10 3.46 0.00 1.61 1.51 -0.18 -4.93 117.35 116.73 1jez s TYR 43 Ca 0.00 1.63 0.00 0.00 -1.01 0.00 0.00 57.07 57.69 1jez s TYR 43 Cb 0.00 -3.37 0.00 0.00 -0.11 0.00 0.00 41.96 38.48 1jez s TYR 43 CO 0.00 -0.85 0.00 0.54 -1.11 0.00 0.00 175.55 174.13 1jez n ARG 44 N 1.12 2.01 -3.95 -0.62 5.12 -1.26 -4.21 116.66 114.87 1jez n ARG 44 Ca -0.01 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.55 1jez n ARG 44 Cb 0.44 -0.93 -0.08 0.00 -1.16 0.00 0.00 32.46 30.74 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 -3.01 4.11 -0.18 0.55 0.20 -1.26 -0.72 118.68 118.36 1jez s LEU 45 Ca 0.00 0.29 -0.00 0.00 0.69 0.00 0.00 54.13 55.11 1jez s LEU 45 Cb 0.00 -2.01 0.05 0.00 -0.43 0.00 0.00 46.19 43.79 1jez s LEU 45 CO 0.00 0.31 -0.06 -0.36 -0.29 0.00 0.00 176.35 175.95 1jez s PHE 46 N -0.41 1.93 -0.54 5.38 0.40 -0.52 0.04 117.98 124.26 1jez s PHE 46 Ca 0.11 -1.28 -0.22 0.00 -0.60 0.00 0.00 56.93 54.93 1jez s PHE 46 Cb -0.12 -1.41 0.05 0.00 0.51 0.00 0.00 43.02 42.05 1jez s PHE 46 CO 0.02 -0.67 0.84 0.34 0.70 0.00 0.00 175.22 176.45 1jez s ASP 47 N 1.56 6.29 0.38 1.36 2.15 0.13 -1.79 116.67 126.74 1jez s ASP 47 Ca -0.01 -0.58 0.00 0.00 0.43 0.00 0.00 52.55 52.40 1jez s ASP 47 Cb -0.16 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1jez s ASP 47 CO -0.08 -1.13 0.04 0.61 -0.17 0.00 0.00 175.17 174.44 1jez n GLY 48 N 5.15 3.61 3.59 2.66 0.00 -0.36 -0.34 105.19 119.50 1jez n GLY 48 Ca -0.01 -2.32 -0.10 0.00 0.00 0.00 0.00 46.02 43.59 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 -2.63 -1.95 0.23 4.61 0.00 -1.26 -3.50 121.76 117.27 1jez s ALA 49 Ca 0.03 1.64 -0.06 0.00 0.00 0.00 0.00 51.96 53.57 1jez s ALA 49 Cb -0.00 -0.87 0.29 0.00 0.00 0.00 0.00 23.12 22.54 1jez s ALA 49 CO 0.02 -0.29 1.86 0.93 0.00 0.00 0.00 175.76 178.28 1jez h GLU 50 N 2.86 0.95 0.00 0.00 5.08 -1.92 -1.11 114.58 120.44 1jez h GLU 50 Ca -0.20 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.08 1jez h GLU 50 Cb 1.17 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.20 1jez h GLU 50 CO 0.27 0.63 -0.09 0.22 -1.00 0.00 0.00 179.01 179.05 1jez h ASP 51 N 0.98 0.00 0.28 1.42 3.58 -1.96 -2.22 116.42 118.51 1jez h ASP 51 Ca 0.35 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.77 1jez h ASP 51 Cb 0.10 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 1jez h ASP 51 CO -0.15 0.09 -0.16 1.88 -2.88 0.00 0.00 179.24 178.02 1jez h TYR 52 N 0.00 0.00 -0.23 0.28 0.05 -1.59 -3.47 116.97 112.01 1jez h TYR 52 Ca -0.00 0.00 -0.10 0.00 0.05 0.00 0.00 58.73 58.68 1jez h TYR 52 Cb 0.22 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.92 1jez h TYR 52 CO 0.00 0.16 -0.09 0.41 -1.05 0.00 0.00 178.16 177.59 1jez n GLY 53 N -0.81 0.70 0.17 3.88 0.00 -0.83 -4.79 105.19 103.50 1jez n GLY 53 Ca -0.02 -0.30 0.05 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.01 1.43 -0.32 1.61 0.23 -1.26 -4.82 115.26 112.12 1jez n ASN 54 Ca -0.05 -2.43 0.05 0.00 -0.53 0.00 0.00 54.58 51.63 1jez n ASN 54 Cb 0.27 -0.26 0.24 0.00 -2.08 0.00 0.00 39.78 37.95 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 0.99 -0.85 -3.83 5.08 -1.89 -0.49 114.58 113.60 1jez h GLU 55 Ca 0.00 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 1jez h GLU 55 Cb 1.03 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 1jez h GLU 55 CO 0.00 0.66 0.42 -0.22 -1.00 0.00 0.00 179.01 178.87 1jez h LYS 56 N 1.02 1.21 -0.11 2.33 3.64 -1.88 -0.33 116.57 122.45 1jez h LYS 56 Ca 0.42 -0.17 -0.19 0.00 -1.27 0.00 0.00 60.65 59.45 1jez h LYS 56 Cb 0.29 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.88 1jez h LYS 56 CO -0.18 0.92 -0.71 0.93 -2.27 0.00 0.00 179.45 178.14 1jez h GLU 57 N 1.20 0.50 -0.68 1.90 3.07 -1.57 -2.09 114.58 116.91 1jez h GLU 57 Ca 0.29 -0.40 0.00 0.00 -0.50 0.00 0.00 59.36 58.76 1jez h GLU 57 Cb 0.10 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.05 1jez h GLU 57 CO -0.04 1.02 0.43 0.28 -1.40 0.00 0.00 179.01 179.30 1jez h VAL 58 N 0.35 1.19 -0.95 3.13 2.07 -0.75 -0.64 116.25 120.65 1jez h VAL 58 Ca -0.03 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.18 1jez h VAL 58 Cb 1.29 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.22 1jez h VAL 58 CO 0.13 0.19 0.62 1.23 0.02 0.00 0.00 177.57 179.75 1jez h GLY 59 N 0.92 1.41 0.82 2.17 0.00 -0.88 -1.63 103.07 105.88 1jez h GLY 59 Ca 0.25 -0.44 0.02 0.00 0.00 0.00 0.00 47.33 47.16 1jez h GLY 59 CO -0.05 0.32 0.07 -0.55 0.00 0.00 0.00 176.54 176.33 1jez h ASP 60 N 1.10 0.07 -0.55 0.19 3.32 -0.43 0.20 116.42 120.32 1jez h ASP 60 Ca 0.41 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.52 1jez h ASP 60 Cb 0.18 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 1jez h ASP 60 CO -0.16 0.07 0.32 1.23 -1.72 0.00 0.00 179.24 178.98 1jez h GLY 61 N 0.17 0.79 0.95 2.75 0.00 -0.72 -1.70 103.07 105.30 1jez h GLY 61 Ca 0.09 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1jez h GLY 61 CO -0.10 0.18 0.08 -2.08 0.00 0.00 0.00 176.54 174.62 1jez h VAL 62 N 0.62 1.08 -0.09 4.60 2.07 -0.87 -2.14 116.25 121.53 1jez h VAL 62 Ca 0.23 -0.23 0.02 0.00 0.82 0.00 0.00 66.70 67.55 1jez h VAL 62 Cb 0.07 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1jez h VAL 62 CO -0.12 0.08 -0.05 0.50 0.02 0.00 0.00 177.57 177.99 1jez h LYS 63 N 0.13 -0.05 -0.03 1.57 3.64 -0.74 0.12 116.57 121.21 1jez h LYS 63 Ca 0.05 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1jez h LYS 63 Cb 0.06 0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 31.84 1jez h LYS 63 CO -0.01 -0.03 -0.33 -0.09 -2.27 0.00 0.00 179.45 176.72 1jez h ARG 64 N -0.05 -0.45 -0.96 1.90 2.43 -1.22 0.65 114.38 116.68 1jez h ARG 64 Ca 0.06 0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.32 1jez h ARG 64 Cb 0.13 0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.72 1jez h ARG 64 CO -0.12 -0.30 0.62 0.00 -1.51 0.00 0.00 179.97 178.65 1jez h ALA 65 N 0.27 1.34 -0.34 2.80 0.00 -1.05 -0.36 119.26 121.91 1jez h ALA 65 Ca 0.07 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.84 1jez h ALA 65 Cb 0.56 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1jez h ALA 65 CO -0.29 0.39 -0.26 0.82 0.00 0.00 0.00 179.25 179.91 1jez h ILE 66 N 1.11 1.29 0.00 0.00 2.04 0.30 -0.99 117.51 121.26 1jez h ILE 66 Ca 0.42 -1.42 -0.05 0.00 1.00 0.00 0.00 64.86 64.81 1jez h ILE 66 Cb 0.18 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1jez h ILE 66 CO -0.18 0.46 -0.24 0.44 0.00 0.00 0.00 178.15 178.64 1jez h ASP 67 N 0.56 0.00 -0.11 1.72 3.32 0.85 -0.88 116.42 121.88 1jez h ASP 67 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1jez h ASP 67 Cb 0.83 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.38 1jez h ASP 67 CO 0.07 0.24 0.00 -0.62 -1.72 0.00 0.00 179.24 177.21 1jez n GLU 68 N -3.87 1.42 -1.91 3.56 1.02 -0.20 -4.91 120.64 115.75 1jez n GLU 68 Ca -0.02 -0.64 -0.17 0.00 -0.02 0.00 0.00 57.16 56.31 1jez n GLU 68 Cb 0.33 -1.32 -0.04 0.00 -0.02 0.00 0.00 31.44 30.38 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 0.96 0.71 0.16 0.62 0.00 -0.33 -4.88 105.19 102.43 1jez n GLY 69 Ca 0.14 -0.17 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 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 0.71 -8.05 0.99 3.38 -1.38 -3.47 115.31 107.48 1jez h LEU 70 Ca -0.39 -0.64 -0.10 0.00 0.09 0.00 0.00 57.88 56.84 1jez h LEU 70 Cb 1.22 -0.22 -0.12 0.00 0.09 0.00 0.00 40.66 41.63 1jez h LEU 70 CO 0.51 1.46 -0.29 0.68 0.09 0.00 0.00 178.44 180.89 1jez s VAL 71 N -3.01 0.06 0.21 1.22 -7.23 -1.23 -5.04 120.40 105.38 1jez s VAL 71 Ca -0.07 -1.34 0.08 0.00 -1.81 0.00 0.00 61.98 58.84 1jez s VAL 71 Cb 0.07 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 1jez s VAL 71 CO 0.91 -0.29 -0.02 -0.54 -0.31 0.00 0.00 175.10 174.85 1jez s LYS 72 N -3.96 2.30 0.24 4.82 1.02 -1.26 -4.22 119.74 118.68 1jez s LYS 72 Ca 0.17 -1.26 -0.09 0.00 0.02 0.00 0.00 55.97 54.81 1jez s LYS 72 Cb 0.03 -2.25 0.39 0.00 -0.52 0.00 0.00 37.83 35.48 1jez s LYS 72 CO -0.00 0.42 1.63 -0.09 -0.92 0.00 0.00 175.35 176.38 1jez h ARG 73 N 2.42 0.07 0.00 1.68 9.65 -1.96 0.14 114.38 126.38 1jez h ARG 73 Ca -0.46 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.42 1jez h ARG 73 Cb 1.22 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.78 1jez h ARG 73 CO 0.58 0.05 0.00 -0.85 2.80 0.00 0.00 179.97 182.55 1jez n GLU 74 N -5.37 0.16 0.02 0.20 0.00 -1.26 -1.37 120.64 113.02 1jez n GLU 74 Ca 0.12 0.18 0.11 0.00 0.00 0.00 0.00 57.16 57.57 1jez n GLU 74 Cb 0.44 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.35 1jez n GLU 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1jez n GLU 75 N -1.28 0.33 -3.68 3.44 1.02 0.50 -4.88 120.64 116.08 1jez n GLU 75 Ca 0.05 -0.03 -0.36 0.00 -0.02 0.00 0.00 57.16 56.80 1jez n GLU 75 Cb 0.08 -1.58 -0.07 0.00 -0.02 0.00 0.00 31.44 29.86 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 -3.23 5.36 -0.31 -3.67 -1.09 -0.47 -4.85 121.20 112.94 1jez s ILE 76 Ca 0.02 0.38 -0.06 0.00 -2.23 0.00 0.00 60.65 58.77 1jez s ILE 76 Cb 0.14 -3.53 0.03 0.00 -1.58 0.00 0.00 42.46 37.52 1jez s ILE 76 CO 0.83 0.49 0.07 0.12 -1.23 0.00 0.00 174.94 175.22 1jez s PHE 77 N -0.16 3.20 -0.22 3.97 2.19 0.10 -4.94 117.98 122.12 1jez s PHE 77 Ca 0.14 -1.32 -0.06 0.00 0.33 0.00 0.00 56.93 56.03 1jez s PHE 77 Cb -0.13 -2.23 -0.03 0.00 -1.31 0.00 0.00 43.02 39.33 1jez s PHE 77 CO 0.03 -0.68 0.03 -0.51 1.83 0.00 0.00 175.22 175.92 1jez s LEU 78 N 1.42 3.38 -0.05 6.12 1.43 -1.26 -1.43 118.68 128.28 1jez s LEU 78 Ca -0.00 -0.18 -0.00 0.00 -1.03 0.00 0.00 54.13 52.92 1jez s LEU 78 Cb -0.18 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 1jez s LEU 78 CO 0.02 0.04 -0.01 -0.89 0.23 0.00 0.00 176.35 175.73 1jez s THR 79 N 1.18 4.15 0.21 5.49 2.01 -0.74 -0.55 115.64 127.38 1jez s THR 79 Ca 0.04 -0.42 -0.03 0.00 0.31 0.00 0.00 61.69 61.59 1jez s THR 79 Cb -0.14 -2.77 -0.03 0.00 0.01 0.00 0.00 72.50 69.56 1jez s THR 79 CO 0.02 0.52 0.18 -0.55 -0.69 0.00 0.00 174.62 174.10 1jez s SER 80 N -1.12 0.14 0.01 3.53 0.15 -0.41 -1.22 113.70 114.77 1jez s SER 80 Ca 0.15 -1.33 0.02 0.00 0.70 0.00 0.00 55.95 55.49 1jez s SER 80 Cb -0.11 0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 64.60 1jez s SER 80 CO 0.05 -0.89 -0.06 -0.54 1.20 0.00 0.00 173.24 173.01 1jez s LYS 81 N -4.13 0.44 -0.39 5.44 1.02 -1.23 -1.49 119.74 119.41 1jez s LYS 81 Ca 0.37 -0.32 -0.27 0.00 0.02 0.00 0.00 55.97 55.76 1jez s LYS 81 Cb 0.06 -0.37 0.02 0.00 -0.52 0.00 0.00 37.83 37.02 1jez s LYS 81 CO 0.12 0.09 1.00 -1.17 -0.92 0.00 0.00 175.35 174.47 1jez s LEU 82 N -0.48 3.91 0.84 3.17 2.96 0.16 -3.10 118.68 126.14 1jez s LEU 82 Ca -0.01 0.62 -0.11 0.00 -0.22 0.00 0.00 54.13 54.41 1jez s LEU 82 Cb -0.04 -3.37 0.10 0.00 0.50 0.00 0.00 46.19 43.38 1jez s LEU 82 CO -0.00 -0.96 1.10 0.86 -1.32 0.00 0.00 176.35 176.03 1jez s TRP 83 N 3.73 2.33 0.51 5.38 -0.00 -1.26 -2.21 118.94 127.41 1jez s TRP 83 Ca 0.41 1.49 0.21 0.00 -0.00 0.00 0.00 56.10 58.22 1jez s TRP 83 Cb -0.11 -3.12 1.30 0.00 -0.00 0.00 0.00 33.47 31.54 1jez s TRP 83 CO 0.21 -2.18 2.01 -0.91 -0.00 0.00 0.00 176.95 176.08 1jez h ASN 84 N -1.40 0.09 0.26 5.86 2.35 -1.90 -2.50 115.58 118.33 1jez h ASN 84 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 1jez h ASN 84 Cb 1.25 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.61 1jez h ASN 84 CO 0.51 0.05 0.00 0.59 -1.65 0.00 0.00 177.43 176.93 1jez n ASN 85 N -4.42 0.00 -0.86 5.81 4.13 -1.26 0.12 115.26 118.78 1jez n ASN 85 Ca 0.08 -0.45 0.03 0.00 1.68 0.00 0.00 54.58 55.93 1jez n ASN 85 Cb 0.49 -0.15 0.21 0.00 -1.54 0.00 0.00 39.78 38.79 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 -1.15 0.78 0.12 3.10 4.01 -0.94 -3.55 117.16 119.52 1jez n TYR 86 Ca 0.16 -1.27 -0.01 0.00 -0.16 0.00 0.00 57.90 56.62 1jez n TYR 86 Cb 0.15 -0.36 0.07 0.00 -0.31 0.00 0.00 39.34 38.89 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 1.10 0.00 -2.12 -0.72 3.86 -1.74 -3.32 115.15 112.20 1jez h HIS 87 Ca 0.10 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.72 1jez h HIS 87 Cb 1.43 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.92 1jez h HIS 87 CO 0.68 0.69 1.17 -3.47 0.86 0.00 0.00 177.93 177.86 1jez n ASP 88 N -3.49 3.68 -0.27 2.45 -0.08 -1.26 -4.21 116.55 113.37 1jez n ASP 88 Ca -0.00 0.91 0.17 0.00 -1.51 0.00 0.00 54.79 54.36 1jez n ASP 88 Cb 0.73 -1.43 0.33 0.00 2.34 0.00 0.00 41.12 43.09 1jez n ASP 88 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1jez n PRO 89 N 7.10 -0.06 0.25 -0.67 -0.02 -1.26 0.09 135.00 140.42 1jez n PRO 89 Ca 0.22 1.17 0.17 0.00 -2.02 0.00 0.00 63.50 63.04 1jez n PRO 89 Cb 0.34 -1.94 0.71 0.00 -0.02 0.00 0.00 33.50 32.59 1jez n PRO 89 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 1jez h LYS 90 N 0.00 0.00 -0.02 -0.52 2.10 -1.94 -2.84 116.57 113.35 1jez h LYS 90 Ca 0.56 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 1jez h LYS 90 Cb 1.30 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.63 1jez h LYS 90 CO -0.70 0.00 -0.39 0.09 -2.00 0.00 0.00 179.45 176.45 1jez n ASN 91 N -2.85 2.01 -0.00 7.07 5.03 0.11 -4.53 115.26 122.11 1jez n ASN 91 Ca 0.00 -1.51 -0.13 0.00 0.87 0.00 0.00 54.58 53.82 1jez n ASN 91 Cb 0.24 0.42 -0.09 0.00 -1.02 0.00 0.00 39.78 39.34 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 2.47 1.26 -0.19 2.41 2.07 -1.33 -2.20 116.25 120.75 1jez h VAL 92 Ca 0.00 -0.78 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 1jez h VAL 92 Cb 0.72 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 1jez h VAL 92 CO 0.00 0.21 -0.19 -0.08 0.02 0.00 0.00 177.57 177.53 1jez h GLU 93 N -0.29 0.32 0.02 1.57 4.81 -1.81 -1.47 114.58 117.73 1jez h GLU 93 Ca 0.00 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1jez h GLU 93 Cb 0.33 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.65 1jez h GLU 93 CO 0.00 0.50 -0.14 1.15 -0.73 0.00 0.00 179.01 179.79 1jez h THR 94 N 0.29 0.65 -0.50 0.32 2.02 -1.76 0.12 112.91 114.05 1jez h THR 94 Ca 0.05 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 1jez h THR 94 Cb 0.50 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 1jez h THR 94 CO 0.03 0.00 0.20 0.00 0.37 0.00 0.00 175.52 176.12 1jez h ALA 95 N 0.68 0.65 -0.86 6.16 0.00 -1.12 -2.39 119.26 122.37 1jez h ALA 95 Ca 0.04 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1jez h ALA 95 Cb 0.30 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.86 1jez h ALA 95 CO -0.13 0.26 0.52 1.25 0.00 0.00 0.00 179.25 181.15 1jez h LEU 96 N 0.67 1.04 -0.62 0.00 5.85 -0.97 -0.98 115.31 120.29 1jez h LEU 96 Ca 0.17 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1jez h LEU 96 Cb 0.20 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1jez h LEU 96 CO -0.01 0.80 0.35 0.78 -0.34 0.00 0.00 178.44 180.01 1jez h ASN 97 N 1.19 0.78 -0.77 1.25 2.35 -0.52 0.19 115.58 120.05 1jez h ASN 97 Ca 0.31 -0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.94 1jez h ASN 97 Cb -0.05 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.09 1jez h ASN 97 CO -0.06 0.64 0.35 0.50 -1.65 0.00 0.00 177.43 177.21 1jez h LYS 98 N 0.85 1.13 -0.37 0.81 1.63 -0.90 0.65 116.57 120.37 1jez h LYS 98 Ca 0.22 -0.17 -0.04 0.00 -0.85 0.00 0.00 60.65 59.81 1jez h LYS 98 Cb 0.03 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.45 1jez h LYS 98 CO -0.04 0.88 0.08 1.15 -3.45 0.00 0.00 179.45 178.08 1jez h THR 99 N 1.11 1.23 -0.65 1.00 2.02 -0.25 -1.59 112.91 115.78 1jez h THR 99 Ca 0.27 -0.79 -0.07 0.00 0.77 0.00 0.00 66.41 66.59 1jez h THR 99 Cb 0.14 1.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 1jez h THR 99 CO -0.03 0.27 0.15 -0.07 0.37 0.00 0.00 175.52 176.21 1jez h LEU 100 N 0.45 1.00 -0.46 2.58 3.38 -0.25 -1.24 115.31 120.78 1jez h LEU 100 Ca 0.12 -0.24 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 1jez h LEU 100 Cb 0.32 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1jez h LEU 100 CO 0.00 0.98 0.06 0.00 0.09 0.00 0.00 178.44 179.58 1jez h ALA 101 N 1.06 0.61 -0.55 1.53 0.00 -0.76 0.13 119.26 121.28 1jez h ALA 101 Ca 0.20 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 1jez h ALA 101 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1jez h ALA 101 CO 0.00 0.34 -0.07 -0.44 0.00 0.00 0.00 179.25 179.09 1jez h ASP 102 N 0.63 1.00 1.27 0.00 3.32 -1.16 -2.56 116.42 118.91 1jez h ASP 102 Ca 0.14 -0.31 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1jez h ASP 102 Cb 0.40 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1jez h ASP 102 CO 0.01 1.09 0.00 0.18 -1.72 0.00 0.00 179.24 178.80 1jez n LEU 103 N -4.16 0.66 -3.45 1.55 4.77 -0.48 -3.93 117.00 111.95 1jez n LEU 103 Ca 0.02 0.58 -0.18 0.00 -0.03 0.00 0.00 56.01 56.40 1jez n LEU 103 Cb 0.38 -0.39 0.09 0.00 -2.33 0.00 0.00 43.42 41.17 1jez n LEU 103 CO 0.45 -0.22 0.13 0.29 -1.33 0.00 0.00 177.39 176.71 1jez n LYS 104 N -2.13 -6.81 -4.15 3.23 5.02 0.41 -4.55 118.16 109.18 1jez n LYS 104 Ca 0.05 0.85 -0.10 0.00 -2.02 0.00 0.00 58.31 57.09 1jez n LYS 104 Cb 0.38 -5.87 -0.10 0.00 -0.02 0.00 0.00 35.03 29.42 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 -3.36 0.23 -0.51 -0.18 -7.23 -0.87 -5.03 120.40 103.45 1jez s VAL 105 Ca 0.08 -1.90 0.24 0.00 -1.81 0.00 0.00 61.98 58.59 1jez s VAL 105 Cb -0.04 -1.93 0.03 0.00 0.56 0.00 0.00 36.38 35.00 1jez s VAL 105 CO 0.73 -0.60 1.22 0.44 -0.31 0.00 0.00 175.10 176.59 1jez h ASP 106 N 2.91 0.00 -5.03 4.85 3.32 -1.95 -3.42 116.42 117.09 1jez h ASP 106 Ca -0.35 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.51 1jez h ASP 106 Cb 1.19 0.00 -0.13 0.00 0.22 0.00 0.00 39.33 40.61 1jez h ASP 106 CO 0.61 0.08 0.10 -0.72 -1.72 0.00 0.00 179.24 177.59 1jez s TYR 107 N -3.23 -0.41 0.09 4.55 1.13 -1.26 -4.67 117.35 113.54 1jez s TYR 107 Ca 0.04 0.18 0.05 0.00 -1.41 0.00 0.00 57.07 55.93 1jez s TYR 107 Cb 0.12 0.44 -0.04 0.00 -1.10 0.00 0.00 41.96 41.38 1jez s TYR 107 CO 0.75 -0.78 -0.03 0.14 -2.51 0.00 0.00 175.55 173.11 1jez s VAL 108 N -3.69 3.83 0.16 -3.49 -7.23 -0.96 -4.99 120.40 104.03 1jez s VAL 108 Ca 0.01 -1.04 0.10 0.00 -1.81 0.00 0.00 61.98 59.25 1jez s VAL 108 Cb 0.00 -2.80 -0.09 0.00 0.56 0.00 0.00 36.38 34.05 1jez s VAL 108 CO -0.12 0.14 1.46 0.44 -0.31 0.00 0.00 175.10 176.71 1jez h ASP 109 N 3.58 0.00 -3.45 4.85 3.32 -1.17 -1.90 116.42 121.65 1jez h ASP 109 Ca -0.48 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.43 1jez h ASP 109 Cb 1.17 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.45 1jez h ASP 109 CO 0.57 0.76 -0.34 -0.22 -1.72 0.00 0.00 179.24 178.29 1jez s LEU 110 N -7.06 0.25 -0.12 1.55 2.96 -0.94 -0.80 118.68 114.53 1jez s LEU 110 Ca 0.00 0.75 -0.00 0.00 -0.22 0.00 0.00 54.13 54.66 1jez s LEU 110 Cb 0.11 1.16 0.02 0.00 0.50 0.00 0.00 46.19 47.99 1jez s LEU 110 CO 0.78 -0.17 -0.08 0.12 -1.32 0.00 0.00 176.35 175.68 1jez s PHE 111 N 0.99 1.55 0.06 5.38 5.36 -0.64 -1.29 117.98 129.40 1jez s PHE 111 Ca -0.07 -0.79 0.05 0.00 -0.96 0.00 0.00 56.93 55.16 1jez s PHE 111 Cb -0.07 -1.27 -0.04 0.00 -0.34 0.00 0.00 43.02 41.30 1jez s PHE 111 CO -0.08 -0.53 -0.04 -0.51 -1.46 0.00 0.00 175.22 172.60 1jez s LEU 112 N 1.68 3.30 -0.39 6.12 1.43 -0.55 -2.64 118.68 127.63 1jez s LEU 112 Ca 0.05 -0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 52.66 1jez s LEU 112 Cb -0.13 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.11 1jez s LEU 112 CO -0.08 0.22 1.36 -0.63 0.23 0.00 0.00 176.35 177.44 1jez s ILE 113 N -1.18 3.99 0.16 -0.59 1.01 -0.82 0.36 121.20 124.12 1jez s ILE 113 Ca 0.22 1.04 -0.16 0.00 0.00 0.00 0.00 60.65 61.74 1jez s ILE 113 Cb -0.11 -4.23 0.03 0.00 0.01 0.00 0.00 42.46 38.16 1jez s ILE 113 CO 0.14 -0.71 1.73 -0.74 0.00 0.00 0.00 174.94 175.35 1jez h HIS 114 N 10.21 0.13 -3.84 3.97 2.76 -1.73 -0.15 115.15 126.49 1jez h HIS 114 Ca -0.27 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 57.77 1jez h HIS 114 Cb 1.10 -0.00 -0.20 0.00 1.55 0.00 0.00 27.41 29.85 1jez h HIS 114 CO 0.95 0.03 -0.62 -0.06 -1.30 0.00 0.00 177.93 176.93 1jez s PHE 115 N -6.17 0.21 -0.96 5.26 0.08 -1.26 -4.24 117.98 110.90 1jez s PHE 115 Ca -0.13 -0.45 -0.07 0.00 0.12 0.00 0.00 56.93 56.40 1jez s PHE 115 Cb 0.12 -0.16 -0.08 0.00 -0.57 0.00 0.00 43.02 42.34 1jez s PHE 115 CO 0.71 -0.25 3.02 -0.35 -0.10 0.00 0.00 175.22 178.25 1jez n PRO 116 N 1.36 3.23 -3.97 0.24 -0.04 -1.26 -4.78 135.00 129.78 1jez n PRO 116 Ca -0.22 -2.12 -0.16 0.00 -0.04 0.00 0.00 63.50 60.95 1jez n PRO 116 Cb 0.56 -2.46 -0.16 0.00 -0.04 0.00 0.00 33.50 31.40 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 0.64 0.21 -0.35 0.52 1.01 -1.26 -5.02 121.20 116.95 1jez s ILE 117 Ca 0.65 0.02 0.01 0.00 0.00 0.00 0.00 60.65 61.33 1jez s ILE 117 Cb 0.25 -0.27 0.09 0.00 0.01 0.00 0.00 42.46 42.54 1jez s ILE 117 CO -0.07 0.13 0.07 0.00 0.00 0.00 0.00 174.94 175.07 1jez s ALA 118 N 0.72 2.93 0.55 9.38 0.00 -1.26 -4.47 121.76 129.62 1jez s ALA 118 Ca -0.07 -2.38 -0.12 0.00 0.00 0.00 0.00 51.96 49.39 1jez s ALA 118 Cb -0.11 -2.06 -0.05 0.00 0.00 0.00 0.00 23.12 20.90 1jez s ALA 118 CO -0.01 -1.63 0.97 -0.06 0.00 0.00 0.00 175.76 175.03 1jez s PHE 119 N 1.03 3.55 0.23 0.00 0.08 0.12 -1.38 117.98 121.61 1jez s PHE 119 Ca 0.06 1.28 -0.30 0.00 0.12 0.00 0.00 56.93 58.09 1jez s PHE 119 Cb -0.20 -2.68 -0.10 0.00 -0.57 0.00 0.00 43.02 39.46 1jez s PHE 119 CO -0.06 -0.50 1.51 0.21 -0.10 0.00 0.00 175.22 176.28 1jez s LYS 120 N -4.66 4.22 0.37 0.44 2.20 0.11 -4.25 119.74 118.17 1jez s LYS 120 Ca 0.55 2.38 -0.26 0.00 -0.36 0.00 0.00 55.97 58.28 1jez s LYS 120 Cb -0.11 -3.11 -0.12 0.00 -1.51 0.00 0.00 37.83 32.99 1jez s LYS 120 CO 0.44 -0.52 1.11 0.34 -0.36 0.00 0.00 175.35 176.35 1jez n PHE 121 N 2.81 1.57 -3.95 4.03 7.35 -1.23 -4.74 117.46 123.30 1jez n PHE 121 Ca 0.09 0.59 -0.23 0.00 -0.76 0.00 0.00 57.45 57.14 1jez n PHE 121 Cb 0.39 -2.30 -0.17 0.00 0.35 0.00 0.00 39.48 37.76 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 -1.17 0.62 0.37 -2.13 1.01 -1.26 -4.81 120.40 113.03 1jez s VAL 122 Ca 0.60 -0.07 -0.26 0.00 0.00 0.00 0.00 61.98 62.24 1jez s VAL 122 Cb -0.59 -0.69 -0.12 0.00 0.00 0.00 0.00 36.38 34.98 1jez s VAL 122 CO 0.59 0.28 1.10 -2.65 0.00 0.00 0.00 175.10 174.42 1jez n PRO 123 N 4.73 1.59 0.19 2.72 -0.02 -1.26 -4.85 135.00 138.09 1jez n PRO 123 Ca -0.14 0.56 0.05 0.00 -2.02 0.00 0.00 63.50 61.95 1jez n PRO 123 Cb 0.50 -2.09 0.49 0.00 -0.02 0.00 0.00 33.50 32.39 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 1.94 1.12 0.00 4.25 2.04 -2.00 -1.38 117.51 123.47 1jez h ILE 124 Ca -0.44 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 64.91 1jez h ILE 124 Cb 1.32 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.59 1jez h ILE 124 CO 0.59 0.16 0.00 -0.33 0.00 0.00 0.00 178.15 178.57 1jez h GLU 125 N 0.09 0.00 0.02 2.37 4.39 -2.01 -3.26 114.58 116.19 1jez h GLU 125 Ca 0.02 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 1jez h GLU 125 Cb 0.25 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1jez h GLU 125 CO 0.01 0.00 -0.42 1.49 -1.16 0.00 0.00 179.01 178.93 1jez h GLU 126 N 0.00 0.05 -2.26 2.33 4.81 -1.61 -3.47 114.58 114.44 1jez h GLU 126 Ca 0.00 -0.09 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 1jez h GLU 126 Cb 0.66 0.03 -0.24 0.00 0.63 0.00 0.00 28.75 29.83 1jez h GLU 126 CO 0.00 1.04 -0.22 0.21 -0.73 0.00 0.00 179.01 179.31 1jez s LYS 127 N -2.29 0.47 -0.13 1.92 2.47 -1.08 -5.07 119.74 116.03 1jez s LYS 127 Ca -0.20 1.21 -0.06 0.00 -1.56 0.00 0.00 55.97 55.36 1jez s LYS 127 Cb -0.00 0.52 0.06 0.00 -1.46 0.00 0.00 37.83 36.94 1jez s LYS 127 CO 0.69 -0.21 0.30 -0.47 0.16 0.00 0.00 175.35 175.82 1jez s TYR 128 N 2.54 -0.45 0.58 4.03 5.04 -1.25 -3.53 117.35 124.30 1jez s TYR 128 Ca -0.05 1.01 -0.18 0.00 -2.44 0.00 0.00 57.07 55.41 1jez s TYR 128 Cb -0.11 0.08 -0.04 0.00 0.35 0.00 0.00 41.96 42.24 1jez s TYR 128 CO -0.16 -0.32 1.11 -2.14 -1.34 0.00 0.00 175.55 172.70 1jez s PRO 129 N 1.85 3.22 0.26 4.97 0.02 -1.26 -5.09 135.00 138.97 1jez s PRO 129 Ca -0.05 1.48 0.11 0.00 0.02 0.00 0.00 61.00 62.57 1jez s PRO 129 Cb -0.11 -2.00 0.27 0.00 0.02 0.00 0.00 34.50 32.68 1jez s PRO 129 CO -0.10 -0.93 1.55 -1.00 -0.33 0.00 0.00 177.00 176.19 1jez h PRO 130 N 0.80 0.00 0.00 5.54 0.13 -1.91 -3.49 132.00 133.07 1jez h PRO 130 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1jez h PRO 130 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1jez h PRO 130 CO 0.56 0.65 0.00 0.41 -0.23 0.00 0.00 178.00 179.40 1jez n GLY 131 N 0.55 2.94 0.16 1.56 0.00 -1.26 -1.86 105.19 107.28 1jez n GLY 131 Ca -0.01 -0.22 0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 13.57 0.00 -1.91 1.61 3.72 -1.26 -4.88 117.46 128.31 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 -0.18 -0.03 0.00 -0.94 0.00 0.00 39.48 38.34 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 -2.64 2.69 -0.15 1.38 5.04 -0.78 -4.81 117.35 118.09 1jez s TYR 133 Ca 0.21 0.43 0.17 0.00 -2.44 0.00 0.00 57.07 55.44 1jez s TYR 133 Cb 0.19 -3.97 0.33 0.00 0.35 0.00 0.00 41.96 38.86 1jez s TYR 133 CO 0.56 -3.76 1.19 0.00 -1.34 0.00 0.00 175.55 172.20 1jez n GLY 135 N -1.31 0.43 2.51 0.00 0.00 -1.26 -4.64 105.19 100.91 1jez n GLY 135 Ca 0.17 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 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 1.51 -1.58 0.00 1.61 2.03 -1.26 -5.11 116.55 113.74 1jez n ASP 136 Ca 0.00 -2.93 0.00 0.00 0.52 0.00 0.00 54.79 52.38 1jez n ASP 136 Cb 0.00 0.66 0.00 0.00 -0.72 0.00 0.00 41.12 41.06 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 1.85 3.52 0.98 0.27 0.00 -1.26 -0.81 105.19 109.73 1jez n GLY 137 Ca 0.17 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 4.81 2.90 -4.79 1.61 3.02 -1.26 -4.64 115.26 116.92 1jez n ASN 138 Ca 0.00 -1.93 -0.36 0.00 -0.03 0.00 0.00 54.58 52.26 1jez n ASN 138 Cb 0.00 -0.26 -0.06 0.00 -0.61 0.00 0.00 39.78 38.85 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 -1.35 7.29 -0.05 6.41 0.01 0.01 -5.03 114.94 122.22 1jez s ASN 139 Ca 0.37 1.82 -0.18 0.00 -0.71 0.00 0.00 52.86 54.16 1jez s ASN 139 Cb 0.21 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 39.24 1jez s ASN 139 CO 0.29 -0.11 0.49 -0.36 -1.51 0.00 0.00 177.10 175.90 1jez s PHE 140 N -1.68 3.63 -0.04 2.20 0.40 -1.26 -4.17 117.98 117.05 1jez s PHE 140 Ca 0.52 1.01 0.02 0.00 -0.60 0.00 0.00 56.93 57.88 1jez s PHE 140 Cb -0.17 -2.49 0.01 0.00 0.51 0.00 0.00 43.02 40.88 1jez s PHE 140 CO 0.22 0.37 -0.09 0.08 0.70 0.00 0.00 175.22 176.50 1jez s VAL 141 N -0.14 0.83 0.28 -0.44 1.01 -1.26 -5.06 120.40 115.62 1jez s VAL 141 Ca 0.27 -0.35 0.10 0.00 0.00 0.00 0.00 61.98 61.99 1jez s VAL 141 Cb -0.16 -0.75 -0.05 0.00 0.00 0.00 0.00 36.38 35.42 1jez s VAL 141 CO 0.13 0.27 -0.02 -0.31 0.00 0.00 0.00 175.10 175.17 1jez s TYR 142 N 0.39 2.61 0.10 5.22 2.02 -1.26 0.05 117.35 126.48 1jez s TYR 142 Ca -0.07 -0.28 0.08 0.00 -0.37 0.00 0.00 57.07 56.44 1jez s TYR 142 Cb -0.11 -1.23 -0.04 0.00 -0.40 0.00 0.00 41.96 40.18 1jez s TYR 142 CO 0.01 0.60 -0.16 -1.21 -1.57 0.00 0.00 175.55 173.21 1jez s GLU 143 N -3.67 1.93 -1.35 -0.62 2.02 -0.48 -4.63 118.70 111.90 1jez s GLU 143 Ca 0.32 -1.10 -0.11 0.00 0.02 0.00 0.00 54.97 54.11 1jez s GLU 143 Cb -0.05 -2.17 0.12 0.00 0.10 0.00 0.00 34.13 32.12 1jez s GLU 143 CO 0.19 0.50 2.04 -0.25 0.02 0.00 0.00 175.26 177.76 1jez n ASP 144 N 0.96 4.80 -4.14 -0.19 8.00 -1.26 -4.76 116.55 119.97 1jez n ASP 144 Ca -0.15 -3.01 -0.34 0.00 0.71 0.00 0.00 54.79 52.00 1jez n ASP 144 Cb 0.52 -1.54 -0.14 0.00 -0.02 0.00 0.00 41.12 39.95 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 1.37 2.87 0.57 2.53 1.01 -1.26 -5.09 120.40 122.39 1jez s VAL 145 Ca 0.43 -1.59 -0.20 0.00 0.00 0.00 0.00 61.98 60.62 1jez s VAL 145 Cb 0.12 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1jez s VAL 145 CO -0.03 -0.22 1.29 -2.84 0.00 0.00 0.00 175.10 173.29 1jez s PRO 146 N 1.19 3.04 0.24 2.72 0.02 -1.26 -4.89 135.00 136.06 1jez s PRO 146 Ca -0.03 2.05 -0.07 0.00 0.02 0.00 0.00 61.00 62.97 1jez s PRO 146 Cb -0.20 -2.11 0.42 0.00 0.02 0.00 0.00 34.50 32.63 1jez s PRO 146 CO -0.03 -1.21 1.66 0.82 -0.33 0.00 0.00 177.00 177.92 1jez h ILE 147 N 1.17 0.44 -0.10 2.83 1.08 -1.98 -1.18 117.51 119.76 1jez h ILE 147 Ca -0.51 -0.06 0.03 0.00 -0.39 0.00 0.00 64.86 63.94 1jez h ILE 147 Cb 1.30 0.26 -0.00 0.00 -3.07 0.00 0.00 36.82 35.31 1jez h ILE 147 CO 0.56 0.03 0.07 0.25 -0.69 0.00 0.00 178.15 178.38 1jez h LEU 148 N 0.16 0.01 -0.32 1.44 5.85 -1.98 0.16 115.31 120.63 1jez h LEU 148 Ca 0.39 -0.00 -0.12 0.00 0.84 0.00 0.00 57.88 59.00 1jez h LEU 148 Cb 0.68 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1jez h LEU 148 CO -0.57 0.01 -0.26 -0.33 -0.34 0.00 0.00 178.44 176.95 1jez h GLU 149 N 0.01 0.74 -0.65 1.25 4.39 -1.57 -0.08 114.58 118.67 1jez h GLU 149 Ca 0.05 -0.37 -0.07 0.00 0.34 0.00 0.00 59.36 59.31 1jez h GLU 149 Cb 0.18 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 1jez h GLU 149 CO -0.00 0.99 0.14 1.15 -1.16 0.00 0.00 179.01 180.12 1jez h THR 150 N 0.51 1.25 -0.30 1.13 2.02 -1.17 -2.69 112.91 113.66 1jez h THR 150 Ca 0.06 -0.95 -0.03 0.00 0.77 0.00 0.00 66.41 66.26 1jez h THR 150 Cb 0.82 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.82 1jez h THR 150 CO 0.07 0.36 0.08 -0.25 0.37 0.00 0.00 175.52 176.15 1jez h TRP 151 N 0.98 0.49 -0.94 3.16 2.91 -0.38 -2.29 115.95 119.87 1jez h TRP 151 Ca 0.20 -0.05 0.06 0.00 1.13 0.00 0.00 58.89 60.23 1jez h TRP 151 Cb 0.37 -0.14 -0.06 0.00 -0.51 0.00 0.00 29.16 28.82 1jez h TRP 151 CO 0.03 0.52 0.61 0.87 -1.03 0.00 0.00 178.44 179.44 1jez h LYS 152 N 0.32 1.06 -0.99 2.65 1.57 -0.92 -0.06 116.57 120.21 1jez h LYS 152 Ca 0.10 -0.06 0.01 0.00 -1.87 0.00 0.00 60.65 58.82 1jez h LYS 152 Cb 0.27 -0.24 -0.05 0.00 0.08 0.00 0.00 32.23 32.29 1jez h LYS 152 CO -0.00 0.70 0.64 0.00 -0.57 0.00 0.00 179.45 180.23 1jez h ALA 153 N 1.49 1.26 -0.60 3.86 0.00 -1.13 -1.28 119.26 122.84 1jez h ALA 153 Ca 0.40 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 1jez h ALA 153 Cb 0.17 -0.40 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1jez h ALA 153 CO -0.15 0.66 -0.01 -0.07 0.00 0.00 0.00 179.25 179.68 1jez h LEU 154 N 1.35 1.05 -1.37 0.00 3.38 -0.55 -2.52 115.31 116.65 1jez h LEU 154 Ca 0.36 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1jez h LEU 154 Cb -0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.31 1jez h LEU 154 CO -0.08 1.10 0.24 -0.33 0.09 0.00 0.00 178.44 179.46 1jez h GLU 155 N 0.96 0.67 -0.37 1.13 5.08 -0.38 -1.33 114.58 120.34 1jez h GLU 155 Ca 0.17 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1jez h GLU 155 Cb 0.57 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1jez h GLU 155 CO 0.03 0.52 0.08 0.87 -1.00 0.00 0.00 179.01 179.51 1jez h LYS 156 N 0.68 0.59 0.00 2.33 6.56 -0.90 -2.28 116.57 123.55 1jez h LYS 156 Ca 0.17 -0.15 -0.04 0.00 -1.06 0.00 0.00 60.65 59.57 1jez h LYS 156 Cb 0.06 -0.08 -0.01 0.00 -0.57 0.00 0.00 32.23 31.64 1jez h LYS 156 CO -0.02 0.64 -0.21 -0.07 -2.06 0.00 0.00 179.45 177.73 1jez h LEU 157 N 0.45 0.00 -0.29 2.94 3.38 -0.99 -0.33 115.31 120.47 1jez h LEU 157 Ca 0.11 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 57.89 1jez h LEU 157 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1jez h LEU 157 CO 0.00 0.21 -0.64 0.58 0.09 0.00 0.00 178.44 178.68 1jez h VAL 158 N 0.00 1.29 0.00 1.22 2.07 -0.94 -1.39 116.25 118.49 1jez h VAL 158 Ca -0.00 -1.84 -0.06 0.00 0.82 0.00 0.00 66.70 65.61 1jez h VAL 158 Cb 0.46 1.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1jez h VAL 158 CO 0.03 0.59 -0.29 0.00 0.02 0.00 0.00 177.57 177.92 1jez h ALA 159 N 0.70 1.16 0.00 1.67 0.00 -0.81 -0.97 119.26 121.01 1jez h ALA 159 Ca -0.01 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1jez h ALA 159 Cb 1.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1jez h ALA 159 CO 0.13 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.74 1jez n ALA 160 N -2.32 2.21 -0.92 0.00 0.00 -0.20 -4.90 120.51 114.38 1jez n ALA 160 Ca -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1jez n ALA 160 Cb 0.40 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 1.17 0.59 0.11 0.00 0.00 -0.37 -4.92 105.19 101.78 1jez n GLY 161 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.21 1jez n GLY 161 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jez h LYS 162 N 1.47 0.00 -4.41 1.61 1.57 -1.48 -3.44 116.57 111.89 1jez h LYS 162 Ca 0.00 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.39 1jez h LYS 162 Cb 0.00 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.00 1jez h LYS 162 CO 0.00 0.00 -0.77 0.42 -0.57 0.00 0.00 179.45 178.53 1jez s ILE 163 N -3.17 0.62 -0.12 1.86 1.01 -1.17 -2.26 121.20 117.97 1jez s ILE 163 Ca 0.07 -0.27 -0.08 0.00 0.00 0.00 0.00 60.65 60.37 1jez s ILE 163 Cb 0.11 -0.57 -0.05 0.00 0.01 0.00 0.00 42.46 41.96 1jez s ILE 163 CO 0.67 0.20 0.06 0.11 0.00 0.00 0.00 174.94 175.99 1jez h LYS 164 N 6.42 0.00 -5.45 2.79 6.56 -1.45 -3.39 116.57 122.04 1jez h LYS 164 Ca -0.33 0.00 -0.42 0.00 -1.06 0.00 0.00 60.65 58.84 1jez h LYS 164 Cb 1.17 0.00 -0.19 0.00 -0.57 0.00 0.00 32.23 32.64 1jez h LYS 164 CO 0.49 0.20 -0.77 -1.12 -2.06 0.00 0.00 179.45 176.19 1jez s SER 165 N -5.78 1.97 0.11 0.86 0.01 0.02 -5.00 113.70 105.89 1jez s SER 165 Ca -0.09 -0.77 0.07 0.00 1.31 0.00 0.00 55.95 56.48 1jez s SER 165 Cb 0.01 -0.07 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 1jez s SER 165 CO 0.19 -0.12 -0.18 0.27 0.41 0.00 0.00 173.24 173.80 1jez s ILE 166 N -1.93 1.58 0.00 1.44 -4.36 -1.26 -1.62 121.20 115.05 1jez s ILE 166 Ca 0.07 -1.60 0.00 0.00 -0.26 0.00 0.00 60.65 58.86 1jez s ILE 166 Cb -0.06 -1.53 0.00 0.00 1.25 0.00 0.00 42.46 42.12 1jez s ILE 166 CO 0.03 -0.18 0.00 0.61 0.24 0.00 0.00 174.94 175.64 1jez n GLY 167 N 0.89 2.43 3.11 6.27 0.00 -1.08 -0.99 105.19 115.82 1jez n GLY 167 Ca -0.18 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.91 0.52 -0.03 1.61 -7.23 -0.37 -1.94 120.40 110.04 1jez s VAL 168 Ca 0.00 -1.55 0.06 0.00 -1.81 0.00 0.00 61.98 58.68 1jez s VAL 168 Cb 0.00 -1.18 -0.01 0.00 0.56 0.00 0.00 36.38 35.74 1jez s VAL 168 CO 0.00 -0.70 -0.21 -0.44 -0.31 0.00 0.00 175.10 173.44 1jez s SER 169 N -2.41 2.47 -1.22 4.85 0.01 -0.07 -1.22 113.70 116.11 1jez s SER 169 Ca 0.02 -0.39 -0.08 0.00 1.31 0.00 0.00 55.95 56.81 1jez s SER 169 Cb -0.01 -0.40 0.01 0.00 0.21 0.00 0.00 66.02 65.83 1jez s SER 169 CO -0.04 0.24 1.06 0.59 0.41 0.00 0.00 173.24 175.50 1jez n ASN 170 N 2.72 -5.88 -4.59 2.44 4.13 -0.47 -4.08 115.26 109.53 1jez n ASN 170 Ca -0.16 -0.49 -0.35 0.00 1.68 0.00 0.00 54.58 55.26 1jez n ASN 170 Cb 0.53 -4.58 -0.10 0.00 -1.54 0.00 0.00 39.78 34.08 1jez n ASN 170 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 1jez s PHE 171 N -3.29 3.20 0.91 3.10 0.40 -1.26 -4.54 117.98 116.50 1jez s PHE 171 Ca 0.52 -0.04 -0.14 0.00 -0.60 0.00 0.00 56.93 56.67 1jez s PHE 171 Cb -0.23 -2.13 0.14 0.00 0.51 0.00 0.00 43.02 41.32 1jez s PHE 171 CO 0.66 0.02 1.19 -1.25 0.70 0.00 0.00 175.22 176.53 1jez s PRO 172 N 0.73 1.10 0.14 0.24 0.04 -1.26 -4.81 135.00 131.18 1jez s PRO 172 Ca 0.04 0.06 -0.25 0.00 0.04 0.00 0.00 61.00 60.89 1jez s PRO 172 Cb -0.13 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.55 1jez s PRO 172 CO 0.02 -2.18 1.62 0.78 0.04 0.00 0.00 177.00 177.28 1jez h GLY 173 N -1.48 -0.34 1.74 0.56 0.00 -1.96 -2.43 103.07 99.17 1jez h GLY 173 Ca -0.47 0.35 0.02 0.00 0.00 0.00 0.00 47.33 47.23 1jez h GLY 173 CO 0.56 -0.21 0.14 0.00 0.00 0.00 0.00 176.54 177.03 1jez h ALA 174 N 0.56 1.94 0.01 3.60 0.00 -1.99 -0.22 119.26 123.16 1jez h ALA 174 Ca 0.11 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 1jez h ALA 174 Cb 0.51 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.26 1jez h ALA 174 CO -0.36 0.04 -0.77 1.25 0.00 0.00 0.00 179.25 179.41 1jez h LEU 175 N 0.20 0.66 -0.49 0.00 5.85 -1.89 -1.53 115.31 118.10 1jez h LEU 175 Ca 0.08 -0.76 -0.04 0.00 0.84 0.00 0.00 57.88 58.00 1jez h LEU 175 Cb 0.08 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.89 1jez h LEU 175 CO -0.02 1.34 0.15 0.25 -0.34 0.00 0.00 178.44 179.83 1jez h LEU 176 N 0.05 0.72 -0.06 2.25 5.85 -1.02 -0.27 115.31 122.82 1jez h LEU 176 Ca -0.10 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.44 1jez h LEU 176 Cb 1.47 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.28 1jez h LEU 176 CO 0.15 0.74 -0.08 0.25 -0.34 0.00 0.00 178.44 179.16 1jez h LEU 177 N 0.67 -0.23 -1.00 2.25 5.85 -1.05 0.11 115.31 121.90 1jez h LEU 177 Ca 0.16 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1jez h LEU 177 Cb 0.27 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 1jez h LEU 177 CO -0.00 -0.11 0.36 -0.78 -0.34 0.00 0.00 178.44 177.57 1jez h ASP 178 N -0.10 0.97 -0.59 1.25 3.58 -1.09 -1.96 116.42 118.47 1jez h ASP 178 Ca 0.05 -0.11 -0.05 0.00 0.42 0.00 0.00 57.03 57.34 1jez h ASP 178 Cb 0.18 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.95 1jez h ASP 178 CO -0.12 0.82 0.18 0.25 -2.88 0.00 0.00 179.24 177.49 1jez h LEU 179 N 1.06 0.90 -1.96 2.28 5.85 -0.40 -1.75 115.31 121.29 1jez h LEU 179 Ca 0.26 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 1jez h LEU 179 Cb 0.11 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.90 1jez h LEU 179 CO -0.03 0.85 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.74 1jez h LEU 180 N 0.93 0.00 -0.55 2.25 3.38 -0.08 -0.36 115.31 120.89 1jez h LEU 180 Ca 0.21 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.02 1jez h LEU 180 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1jez h LEU 180 CO -0.01 0.11 -0.56 0.03 0.09 0.00 0.00 178.44 178.10 1jez h ARG 181 N 0.00 0.48 -0.00 1.13 3.08 -0.74 -3.31 114.38 115.01 1jez h ARG 181 Ca -0.00 -0.31 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1jez h ARG 181 Cb 0.28 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1jez h ARG 181 CO 0.01 0.92 -0.69 0.41 -1.07 0.00 0.00 179.97 179.55 1jez n GLY 182 N 0.26 -0.44 3.76 0.04 0.00 -0.96 -5.00 105.19 102.84 1jez n GLY 182 Ca -0.03 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.45 3.41 -0.21 4.61 0.00 -0.18 -4.95 121.76 121.99 1jez s ALA 183 Ca 0.08 0.90 -0.18 0.00 0.00 0.00 0.00 51.96 52.76 1jez s ALA 183 Cb 0.13 -3.33 -0.19 0.00 0.00 0.00 0.00 23.12 19.73 1jez s ALA 183 CO 0.63 -0.16 0.15 2.41 0.00 0.00 0.00 175.76 178.78 1jez n THR 184 N 1.18 1.56 -3.39 0.00 -1.04 -1.26 -4.63 114.28 106.70 1jez n THR 184 Ca -0.01 -0.16 -0.42 0.00 -2.04 0.00 0.00 64.05 61.42 1jez n THR 184 Cb 0.45 -1.97 -0.09 0.00 -1.82 0.00 0.00 70.33 66.89 1jez n THR 184 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1jez s ILE 185 N -2.41 5.16 0.45 12.58 1.01 -1.26 -5.05 121.20 131.68 1jez s ILE 185 Ca -0.30 -0.17 -0.24 0.00 0.00 0.00 0.00 60.65 59.95 1jez s ILE 185 Cb 0.07 -3.89 -0.07 0.00 0.01 0.00 0.00 42.46 38.58 1jez s ILE 185 CO 0.60 -0.21 1.24 -0.54 0.00 0.00 0.00 174.94 176.03 1jez s LYS 186 N 2.00 3.76 0.10 2.79 -0.14 -1.26 -4.91 119.74 122.07 1jez s LYS 186 Ca 0.11 1.97 -0.31 0.00 -1.36 0.00 0.00 55.97 56.38 1jez s LYS 186 Cb -0.17 -2.52 -0.10 0.00 -1.68 0.00 0.00 37.83 33.36 1jez s LYS 186 CO 0.12 -0.61 1.84 -1.25 -0.76 0.00 0.00 175.35 174.69 1jez s PRO 187 N -2.54 4.14 0.31 -1.68 0.04 -1.26 -4.85 135.00 129.16 1jez s PRO 187 Ca 0.62 2.57 0.18 0.00 0.04 0.00 0.00 61.00 64.40 1jez s PRO 187 Cb -0.34 -3.71 0.12 0.00 0.04 0.00 0.00 34.50 30.61 1jez s PRO 187 CO 0.42 -0.85 1.43 0.00 0.04 0.00 0.00 177.00 178.03 1jez h ALA 188 N 8.98 0.75 -3.66 8.56 0.00 -1.41 -3.43 119.26 129.05 1jez h ALA 188 Ca -0.46 -0.34 -0.26 0.00 0.00 0.00 0.00 54.91 53.85 1jez h ALA 188 Cb 1.22 -0.03 -0.27 0.00 0.00 0.00 0.00 17.79 18.71 1jez h ALA 188 CO 0.95 0.45 -0.73 0.08 0.00 0.00 0.00 179.25 179.99 1jez s VAL 189 N -3.04 0.22 -0.22 0.00 1.01 -1.26 -1.15 120.40 115.96 1jez s VAL 189 Ca 0.04 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1jez s VAL 189 Cb 0.07 -0.22 0.05 0.00 0.00 0.00 0.00 36.38 36.27 1jez s VAL 189 CO 0.73 -0.05 -0.12 -0.22 0.00 0.00 0.00 175.10 175.44 1jez s LEU 190 N -0.36 2.76 -0.29 3.92 2.96 0.58 -1.24 118.68 127.00 1jez s LEU 190 Ca -0.02 -1.08 -0.09 0.00 -0.22 0.00 0.00 54.13 52.73 1jez s LEU 190 Cb -0.03 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 1jez s LEU 190 CO -0.00 -0.14 0.12 -1.58 -1.32 0.00 0.00 176.35 173.42 1jez s GLN 191 N 1.26 3.41 0.14 1.98 0.74 -0.36 -1.06 119.66 125.77 1jez s GLN 191 Ca -0.04 -0.66 0.03 0.00 0.05 0.00 0.00 55.36 54.75 1jez s GLN 191 Cb -0.17 -3.47 -0.04 0.00 1.10 0.00 0.00 33.01 30.42 1jez s GLN 191 CO -0.08 -0.35 -0.07 0.14 -0.55 0.00 0.00 175.29 174.39 1jez s VAL 192 N 1.60 0.93 0.10 1.34 -7.23 -0.51 -1.37 120.40 115.26 1jez s VAL 192 Ca 0.05 -2.01 -0.31 0.00 -1.81 0.00 0.00 61.98 57.90 1jez s VAL 192 Cb -0.16 -1.86 -0.09 0.00 0.56 0.00 0.00 36.38 34.83 1jez s VAL 192 CO 0.05 -0.73 1.61 -0.70 -0.31 0.00 0.00 175.10 175.02 1jez s GLU 193 N -3.81 4.21 -0.16 4.82 2.12 -1.26 -2.08 118.70 122.55 1jez s GLU 193 Ca 0.17 2.31 -0.07 0.00 0.36 0.00 0.00 54.97 57.74 1jez s GLU 193 Cb 0.04 -3.45 0.07 0.00 0.26 0.00 0.00 34.13 31.05 1jez s GLU 193 CO -0.00 -0.68 0.36 -1.58 -0.54 0.00 0.00 175.26 172.82 1jez s HIS 194 N 2.12 -0.59 0.24 5.30 2.46 0.12 -4.87 115.29 120.08 1jez s HIS 194 Ca 0.72 1.23 -0.21 0.00 0.47 0.00 0.00 55.06 57.27 1jez s HIS 194 Cb -0.40 0.18 0.06 0.00 -0.13 0.00 0.00 32.58 32.29 1jez s HIS 194 CO 0.32 -0.37 0.91 -3.38 -2.47 0.00 0.00 174.74 169.74 1jez s HIS 195 N 1.98 0.00 0.62 3.88 -3.43 -1.15 -4.37 115.29 112.83 1jez s HIS 195 Ca -0.05 -0.46 0.33 0.00 -0.80 0.00 0.00 55.06 54.08 1jez s HIS 195 Cb -0.11 0.73 1.85 0.00 -1.43 0.00 0.00 32.58 33.62 1jez s HIS 195 CO -0.11 -1.12 2.15 -1.35 -2.00 0.00 0.00 174.74 172.31 1jez h PRO 196 N 2.00 0.00 0.00 -0.38 0.11 -1.94 -1.66 132.00 130.13 1jez h PRO 196 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1jez h PRO 196 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1jez h PRO 196 CO 0.33 0.00 -0.79 1.88 -0.21 0.00 0.00 178.00 179.21 1jez h TYR 197 N 0.00 0.00 -2.44 0.65 0.05 -1.91 -2.14 116.97 111.18 1jez h TYR 197 Ca 0.04 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.23 1jez h TYR 197 Cb 0.36 0.00 -0.39 0.00 1.01 0.00 0.00 36.73 37.71 1jez h TYR 197 CO 0.00 0.00 -0.93 -0.11 -1.05 0.00 0.00 178.16 176.07 1jez n LEU 198 N -2.24 0.07 0.07 3.88 7.94 -0.64 -1.00 117.00 125.07 1jez n LEU 198 Ca 0.02 -4.51 -0.03 0.00 -1.11 0.00 0.00 56.01 50.38 1jez n LEU 198 Cb 0.47 0.36 -0.07 0.00 0.53 0.00 0.00 43.42 44.71 1jez n LEU 198 CO 0.38 1.86 0.06 1.56 -1.11 0.00 0.00 177.39 180.14 1jez h GLN 199 N 5.49 0.00 -6.75 1.96 4.20 -1.75 -3.03 115.11 115.22 1jez h GLN 199 Ca 0.24 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.55 1jez h GLN 199 Cb 0.88 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.59 1jez h GLN 199 CO 0.43 0.64 -0.65 1.04 -0.67 0.00 0.00 178.83 179.62 1jez n GLN 200 N -3.18 -0.72 -0.00 1.46 6.02 -1.26 -4.82 117.38 114.88 1jez n GLN 200 Ca -0.04 -0.05 0.09 0.00 -0.01 0.00 0.00 57.00 57.00 1jez n GLN 200 Cb 0.88 -1.78 0.51 0.00 1.02 0.00 0.00 30.24 30.87 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 -0.73 0.36 -0.42 -1.09 0.13 -1.99 -2.05 132.00 126.21 1jez h PRO 201 Ca -0.45 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 64.52 1jez h PRO 201 Cb 0.91 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.95 1jez h PRO 201 CO 0.40 0.24 -0.28 0.87 -0.23 0.00 0.00 178.00 179.00 1jez h LYS 202 N 0.37 0.92 0.20 0.86 1.57 -1.99 -0.76 116.57 117.74 1jez h LYS 202 Ca 0.20 -0.44 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 1jez h LYS 202 Cb 0.31 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1jez h LYS 202 CO -0.05 1.09 -0.09 1.25 -0.57 0.00 0.00 179.45 181.08 1jez h LEU 203 N 0.75 -0.22 -0.53 2.94 5.85 -1.83 -0.36 115.31 121.91 1jez h LEU 203 Ca 0.08 -0.10 0.08 0.00 0.84 0.00 0.00 57.88 58.79 1jez h LEU 203 Cb 0.86 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.88 1jez h LEU 203 CO 0.08 -0.04 0.15 0.40 -0.34 0.00 0.00 178.44 178.69 1jez h ILE 204 N -0.40 0.76 -0.41 4.05 1.08 -1.35 0.63 117.51 121.86 1jez h ILE 204 Ca -0.03 -0.11 -0.02 0.00 -0.39 0.00 0.00 64.86 64.32 1jez h ILE 204 Cb 0.31 0.42 -0.02 0.00 -3.07 0.00 0.00 36.82 34.46 1jez h ILE 204 CO 0.04 0.06 0.18 -0.08 -0.69 0.00 0.00 178.15 177.66 1jez h GLU 205 N 0.31 0.60 0.07 2.37 4.81 -0.96 0.01 114.58 121.79 1jez h GLU 205 Ca 0.27 -0.10 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1jez h GLU 205 Cb 0.34 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.61 1jez h GLU 205 CO -0.31 0.54 -0.04 0.35 -0.73 0.00 0.00 179.01 178.83 1jez h PHE 206 N 0.52 -0.09 -0.74 0.92 3.57 -0.28 -1.29 116.94 119.53 1jez h PHE 206 Ca 0.14 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1jez h PHE 206 Cb 0.16 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1jez h PHE 206 CO -0.01 -0.05 0.41 0.00 -2.23 0.00 0.00 178.31 176.43 1jez h ALA 207 N 0.82 0.95 -0.47 2.41 0.00 -0.77 -0.85 119.26 121.36 1jez h ALA 207 Ca -0.01 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1jez h ALA 207 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1jez h ALA 207 CO 0.02 0.46 0.09 1.96 0.00 0.00 0.00 179.25 181.78 1jez h GLN 208 N 1.03 0.76 0.00 0.00 4.20 -0.87 0.11 115.11 120.34 1jez h GLN 208 Ca 0.26 -0.20 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1jez h GLN 208 Cb 0.03 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.72 1jez h GLN 208 CO -0.04 0.77 -0.08 0.87 -0.67 0.00 0.00 178.83 179.68 1jez h LYS 209 N 0.64 0.00 -0.17 1.46 1.57 -0.97 -1.32 116.57 117.78 1jez h LYS 209 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1jez h LYS 209 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1jez h LYS 209 CO 0.01 0.08 0.00 0.00 -0.57 0.00 0.00 179.45 178.97 1jez n ALA 210 N -2.14 2.52 -0.92 3.86 0.00 -0.35 -4.89 120.51 118.59 1jez n ALA 210 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1jez n ALA 210 Cb 0.35 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.71 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 1.00 0.62 3.75 0.00 0.00 -0.50 -5.03 105.19 105.04 1jez n GLY 211 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.37 4.93 0.09 1.61 1.01 0.36 -4.55 120.40 121.47 1jez s VAL 212 Ca 0.00 1.31 -0.25 0.00 0.00 0.00 0.00 61.98 63.05 1jez s VAL 212 Cb 0.00 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 1jez s VAL 212 CO 0.00 0.37 0.76 -0.89 0.00 0.00 0.00 175.10 175.34 1jez s THR 213 N 0.07 4.61 -0.06 3.92 2.01 -0.30 -3.80 115.64 122.09 1jez s THR 213 Ca 0.33 1.63 -0.15 0.00 0.31 0.00 0.00 61.69 63.81 1jez s THR 213 Cb -0.18 -4.11 -0.05 0.00 0.01 0.00 0.00 72.50 68.17 1jez s THR 213 CO 0.18 0.43 0.38 -0.63 -0.69 0.00 0.00 174.62 174.28 1jez s ILE 214 N -0.49 5.14 -0.11 1.82 -1.09 -1.26 -0.31 121.20 124.90 1jez s ILE 214 Ca 0.37 0.76 0.02 0.00 -2.23 0.00 0.00 60.65 59.57 1jez s ILE 214 Cb -0.21 -3.69 0.01 0.00 -1.58 0.00 0.00 42.46 36.99 1jez s ILE 214 CO 0.24 0.51 -0.18 -0.89 -1.23 0.00 0.00 174.94 173.39 1jez s THR 215 N -0.52 1.69 -0.12 2.92 2.01 -0.22 -0.87 115.64 120.53 1jez s THR 215 Ca 0.22 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.39 1jez s THR 215 Cb -0.15 -1.51 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1jez s THR 215 CO 0.10 0.48 0.12 0.00 -0.69 0.00 0.00 174.62 174.63 1jez s ALA 216 N 0.82 3.78 0.07 7.40 0.00 -0.01 -1.43 121.76 132.40 1jez s ALA 216 Ca -0.09 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.25 1jez s ALA 216 Cb -0.16 -1.90 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 1jez s ALA 216 CO 0.00 0.60 -0.12 1.52 0.00 0.00 0.00 175.76 177.76 1jez s TYR 217 N -0.96 1.08 -0.00 0.00 -0.85 -0.88 -3.35 117.35 112.38 1jez s TYR 217 Ca 0.14 -0.49 0.01 0.00 -0.52 0.00 0.00 57.07 56.21 1jez s TYR 217 Cb -0.12 -0.61 0.01 0.00 0.38 0.00 0.00 41.96 41.62 1jez s TYR 217 CO 0.04 0.02 0.94 -1.13 -1.52 0.00 0.00 175.55 173.89 1jez n SER 218 N 1.24 0.07 -0.19 -0.18 3.41 -1.26 0.11 113.62 116.82 1jez n SER 218 Ca -0.21 -1.90 0.01 0.00 -0.26 0.00 0.00 58.87 56.51 1jez n SER 218 Cb 0.55 -0.18 0.04 0.00 -0.26 0.00 0.00 64.21 64.35 1jez n SER 218 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1jez n SER 219 N -0.04 -0.29 -3.76 4.04 7.64 -1.26 -5.02 113.62 114.93 1jez n SER 219 Ca 0.00 0.89 -0.42 0.00 1.01 0.00 0.00 58.87 60.36 1jez n SER 219 Cb 0.67 -0.22 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1jez n SER 219 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1jez n PHE 220 N -4.78 2.70 0.00 1.43 3.01 -1.26 -5.15 117.46 113.41 1jez n PHE 220 Ca 0.06 -2.74 0.00 0.00 1.01 0.00 0.00 57.45 55.78 1jez n PHE 220 Cb 0.22 -1.74 0.00 0.00 -0.01 0.00 0.00 39.48 37.95 1jez n PHE 220 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1jez n LEU 239 N 2.54 0.00 0.22 4.37 4.77 -1.26 -5.01 117.00 122.62 1jez n LEU 239 Ca 0.44 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.57 1jez n LEU 239 Cb 0.32 0.00 0.59 0.00 -2.33 0.00 0.00 43.42 41.99 1jez n LEU 239 CO 0.75 0.00 0.93 -0.26 -1.33 0.00 0.00 177.39 177.48 1jez h PHE 240 N 0.00 0.00 -0.29 -1.77 -1.00 -1.99 -2.51 116.94 109.38 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 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1jez h PHE 240 CO 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 176.70 1jez n ALA 241 N -1.97 2.17 -1.76 2.45 0.00 -1.26 -4.70 120.51 115.43 1jez n ALA 241 Ca 0.01 -1.10 -0.40 0.00 0.00 0.00 0.00 53.44 51.96 1jez n ALA 241 Cb 0.29 -0.38 -0.04 0.00 0.00 0.00 0.00 19.45 19.33 1jez n ALA 241 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1jez s HIS 242 N -0.99 3.42 0.20 0.00 5.04 -0.95 -4.88 115.29 117.13 1jez s HIS 242 Ca 0.20 1.65 -0.10 0.00 -1.54 0.00 0.00 55.06 55.26 1jez s HIS 242 Cb 0.10 -3.31 0.25 0.00 0.04 0.00 0.00 32.58 29.66 1jez s HIS 242 CO 0.14 -0.78 1.75 -0.44 -2.34 0.00 0.00 174.74 173.07 1jez h ASP 243 N 3.45 0.22 -0.22 9.88 5.19 -1.95 0.37 116.42 133.35 1jez h ASP 243 Ca -0.47 0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 55.95 1jez h ASP 243 Cb 1.22 0.05 -0.01 0.00 0.18 0.00 0.00 39.33 40.77 1jez h ASP 243 CO 0.66 0.14 -0.10 0.74 -3.12 0.00 0.00 179.24 177.56 1jez h THR 244 N 0.40 1.30 -0.37 0.35 2.02 -1.94 -1.36 112.91 113.32 1jez h THR 244 Ca 0.29 -1.16 -0.13 0.00 0.77 0.00 0.00 66.41 66.18 1jez h THR 244 Cb 0.33 1.59 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 1jez h THR 244 CO -0.28 0.35 -0.29 0.40 0.37 0.00 0.00 175.52 176.07 1jez h ILE 245 N 0.17 1.28 -0.09 3.11 1.08 -1.77 -2.39 117.51 118.90 1jez h ILE 245 Ca 0.05 -1.46 -0.00 0.00 -0.39 0.00 0.00 64.86 63.06 1jez h ILE 245 Cb 0.59 1.40 -0.00 0.00 -3.07 0.00 0.00 36.82 35.73 1jez h ILE 245 CO 0.03 0.48 0.05 0.11 -0.69 0.00 0.00 178.15 178.14 1jez h LYS 246 N 0.64 0.12 0.62 2.37 1.57 -0.28 0.13 116.57 121.74 1jez h LYS 246 Ca 0.07 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1jez h LYS 246 Cb 0.87 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1jez h LYS 246 CO 0.08 0.13 -0.43 0.00 -0.57 0.00 0.00 179.45 178.66 1jez h ALA 247 N 0.98 -1.05 -0.70 3.86 0.00 -1.25 1.37 119.26 122.48 1jez h ALA 247 Ca 0.03 -0.20 0.10 0.00 0.00 0.00 0.00 54.91 54.85 1jez h ALA 247 Cb 0.04 0.55 -0.08 0.00 0.00 0.00 0.00 17.79 18.31 1jez h ALA 247 CO -0.01 -1.11 0.32 0.82 0.00 0.00 0.00 179.25 179.27 1jez h ILE 248 N -1.00 0.79 0.88 0.00 2.04 -1.39 1.05 117.51 119.87 1jez h ILE 248 Ca -0.08 -0.18 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1jez h ILE 248 Cb 0.83 0.21 0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1jez h ILE 248 CO 0.04 0.10 -0.42 0.00 0.00 0.00 0.00 178.15 177.87 1jez h ALA 249 N 1.45 -1.18 -0.11 1.87 0.00 -0.38 -1.78 119.26 119.13 1jez h ALA 249 Ca 0.36 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1jez h ALA 249 Cb 0.43 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 1jez h ALA 249 CO -0.31 -1.10 0.20 0.00 0.00 0.00 0.00 179.25 178.05 1jez h ALA 250 N -1.29 1.55 -0.17 0.00 0.00 0.23 0.28 119.26 119.86 1jez h ALA 250 Ca -0.12 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1jez h ALA 250 Cb 0.90 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1jez h ALA 250 CO 0.20 -0.26 -0.35 -0.22 0.00 0.00 0.00 179.25 178.62 1jez h LYS 251 N 0.00 0.54 -0.10 0.00 3.64 0.17 -3.20 116.57 117.62 1jez h LYS 251 Ca 0.05 -0.35 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 1jez h LYS 251 Cb 0.46 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1jez h LYS 251 CO -0.00 0.96 0.00 0.66 -2.27 0.00 0.00 179.45 178.80 1jez n TYR 252 N -4.32 0.11 -3.31 1.91 4.01 -0.31 -4.96 117.16 110.30 1jez n TYR 252 Ca -0.06 -0.06 -0.16 0.00 -0.16 0.00 0.00 57.90 57.46 1jez n TYR 252 Cb 0.50 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.61 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 0.83 -3.50 -4.24 7.72 4.05 0.83 -5.03 115.26 115.92 1jez n ASN 253 Ca 0.17 -0.62 -0.24 0.00 0.45 0.00 0.00 54.58 54.33 1jez n ASN 253 Cb 0.48 -4.98 -0.09 0.00 1.23 0.00 0.00 39.78 36.42 1jez n ASN 253 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1jez s LYS 254 N -4.99 1.85 0.52 1.20 -0.14 -0.79 -5.02 119.74 112.37 1jez s LYS 254 Ca 0.15 -2.10 -0.07 0.00 -1.36 0.00 0.00 55.97 52.58 1jez s LYS 254 Cb -0.02 -0.70 -0.04 0.00 -1.68 0.00 0.00 37.83 35.40 1jez s LYS 254 CO 0.71 -0.39 0.86 0.95 -0.76 0.00 0.00 175.35 176.71 1jez s THR 255 N -3.24 4.84 0.50 2.17 -4.23 -1.26 -4.33 115.64 110.08 1jez s THR 255 Ca 0.27 0.44 0.15 0.00 -1.18 0.00 0.00 61.69 61.37 1jez s THR 255 Cb 0.04 -3.86 0.25 0.00 1.34 0.00 0.00 72.50 70.27 1jez s THR 255 CO 0.14 -0.92 2.10 -0.65 -0.54 0.00 0.00 174.62 174.75 1jez h PRO 256 N 0.13 0.01 -0.44 3.99 0.11 -1.87 -2.06 132.00 131.88 1jez h PRO 256 Ca -0.46 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 1jez h PRO 256 Cb 1.20 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 1jez h PRO 256 CO 0.62 0.06 0.06 0.00 -0.21 0.00 0.00 178.00 178.53 1jez h ALA 257 N 1.94 0.58 -0.19 -0.75 0.00 -1.93 -0.23 119.26 118.68 1jez h ALA 257 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1jez h ALA 257 Cb 0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1jez h ALA 257 CO 0.01 0.31 0.07 0.93 0.00 0.00 0.00 179.25 180.57 1jez h GLU 258 N 0.59 0.27 -0.16 0.00 5.08 -1.76 -0.51 114.58 118.08 1jez h GLU 258 Ca 0.13 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.37 1jez h GLU 258 Cb 0.39 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.59 1jez h GLU 258 CO 0.01 0.23 -0.26 0.28 -1.00 0.00 0.00 179.01 178.27 1jez h VAL 259 N 0.27 1.35 -0.25 3.13 2.07 -0.94 -0.66 116.25 121.22 1jez h VAL 259 Ca 0.07 -1.49 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1jez h VAL 259 Cb 0.07 1.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1jez h VAL 259 CO -0.01 0.45 0.12 -0.07 0.02 0.00 0.00 177.57 178.08 1jez h LEU 260 N 0.09 0.33 -0.57 2.57 3.38 -0.53 0.01 115.31 120.60 1jez h LEU 260 Ca 0.01 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1jez h LEU 260 Cb 0.84 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1jez h LEU 260 CO 0.06 0.37 0.33 -0.07 0.09 0.00 0.00 178.44 179.22 1jez h LEU 261 N 0.28 0.69 -0.58 1.67 3.38 -1.13 -2.51 115.31 117.11 1jez h LEU 261 Ca 0.09 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1jez h LEU 261 Cb 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 1jez h LEU 261 CO -0.01 0.55 0.15 -0.09 0.09 0.00 0.00 178.44 179.14 1jez h ARG 262 N 0.76 0.91 -0.81 1.13 9.65 -0.92 -0.52 114.38 124.59 1jez h ARG 262 Ca 0.20 -0.21 0.16 0.00 -1.10 0.00 0.00 59.98 59.03 1jez h ARG 262 Cb -0.00 -0.12 -0.10 0.00 -1.39 0.00 0.00 29.97 28.36 1jez h ARG 262 CO -0.04 0.84 0.36 2.35 2.80 0.00 0.00 179.97 186.28 1jez h TRP 263 N 0.82 0.62 0.13 2.20 7.01 -0.68 0.23 115.95 126.28 1jez h TRP 263 Ca 0.18 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.21 1jez h TRP 263 Cb 0.33 -0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.24 1jez h TRP 263 CO 0.02 0.09 -0.06 0.00 -2.79 0.00 0.00 178.44 175.69 1jez h ALA 264 N 1.58 -0.18 -0.89 2.65 0.00 -1.16 -3.32 119.26 117.93 1jez h ALA 264 Ca 0.45 -0.17 0.22 0.00 0.00 0.00 0.00 54.91 55.41 1jez h ALA 264 Cb 0.70 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.44 1jez h ALA 264 CO -0.41 -0.20 0.39 0.00 0.00 0.00 0.00 179.25 179.03 1jez h ALA 265 N -0.65 1.43 0.00 0.00 0.00 -0.86 0.42 119.26 119.60 1jez h ALA 265 Ca -0.02 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jez h ALA 265 Cb 0.41 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1jez h ALA 265 CO 0.03 -0.33 0.00 0.94 0.00 0.00 0.00 179.25 179.89 1jez n GLN 266 N -5.04 0.16 -0.64 0.00 7.27 0.05 -1.46 117.38 117.72 1jez n GLN 266 Ca 0.22 0.36 0.09 0.00 0.07 0.00 0.00 57.00 57.74 1jez n GLN 266 Cb 0.65 -1.79 0.37 0.00 2.41 0.00 0.00 30.24 31.87 1jez n GLN 266 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1jez n ARG 267 N -2.09 3.81 -0.93 3.69 1.74 0.11 -4.92 116.66 118.06 1jez n ARG 267 Ca 0.03 -2.92 0.00 0.00 -0.77 0.00 0.00 57.85 54.19 1jez n ARG 267 Cb 0.24 -1.92 0.00 0.00 -1.02 0.00 0.00 32.46 29.76 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 1.16 0.66 3.76 -0.13 0.00 -0.53 -5.04 105.19 105.07 1jez n GLY 268 Ca 0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.56 5.01 0.51 -0.61 1.01 -1.00 -4.70 121.20 118.85 1jez s ILE 269 Ca 0.00 1.11 -0.18 0.00 0.00 0.00 0.00 60.65 61.58 1jez s ILE 269 Cb 0.00 -3.87 -0.08 0.00 0.01 0.00 0.00 42.46 38.52 1jez s ILE 269 CO 0.00 0.41 1.00 0.00 0.00 0.00 0.00 174.94 176.35 1jez s ALA 270 N -0.03 2.95 0.06 9.38 0.00 -0.05 -3.35 121.76 130.72 1jez s ALA 270 Ca 0.29 0.37 0.01 0.00 0.00 0.00 0.00 51.96 52.63 1jez s ALA 270 Cb -0.17 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 1jez s ALA 270 CO 0.15 -0.29 -0.06 0.14 0.00 0.00 0.00 175.76 175.70 1jez s VAL 271 N -2.35 0.47 -0.30 0.00 -7.23 0.03 -0.83 120.40 110.19 1jez s VAL 271 Ca 0.62 -1.56 0.03 0.00 -1.81 0.00 0.00 61.98 59.27 1jez s VAL 271 Cb -0.12 -1.19 0.08 0.00 0.56 0.00 0.00 36.38 35.71 1jez s VAL 271 CO 0.26 -0.73 -0.01 -0.63 -0.31 0.00 0.00 175.10 173.68 1jez s ILE 272 N -2.84 2.04 0.18 -0.62 -1.09 -1.21 -1.14 121.20 116.52 1jez s ILE 272 Ca 0.02 -1.92 -0.33 0.00 -2.23 0.00 0.00 60.65 56.19 1jez s ILE 272 Cb 0.00 -2.38 -0.13 0.00 -1.58 0.00 0.00 42.46 38.38 1jez s ILE 272 CO -0.04 -0.37 1.68 -2.65 -1.23 0.00 0.00 174.94 172.33 1jez n PRO 273 N 4.40 2.54 -2.08 2.79 -0.02 -1.22 -4.84 135.00 136.57 1jez n PRO 273 Ca -0.04 0.92 -0.41 0.00 -2.02 0.00 0.00 63.50 61.95 1jez n PRO 273 Cb 0.42 -2.74 -0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1jez n PRO 273 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1jez n LYS 274 N 3.94 4.37 0.00 -0.52 4.76 -1.26 -4.14 118.16 125.31 1jez n LYS 274 Ca 0.17 -3.49 0.00 0.00 -2.87 0.00 0.00 58.31 52.12 1jez n LYS 274 Cb 0.33 -2.70 0.00 0.00 -1.84 0.00 0.00 35.03 30.82 1jez n LYS 274 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1jez n SER 275 N 2.22 0.00 -4.25 4.39 2.88 -1.26 -5.00 113.62 112.60 1jez n SER 275 Ca 0.57 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.76 1jez n SER 275 Cb 0.27 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.69 1jez n SER 275 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1jez n ASN 276 N 0.00 -1.87 -4.65 -3.46 4.13 -1.26 -4.78 115.26 103.37 1jez n ASN 276 Ca 0.00 -1.09 -0.51 0.00 1.68 0.00 0.00 54.58 54.65 1jez n ASN 276 Cb 0.00 -2.43 -0.06 0.00 -1.54 0.00 0.00 39.78 35.75 1jez n ASN 276 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 1jez n LEU 277 N -4.35 2.40 -0.11 3.41 7.94 -1.26 -4.26 117.00 120.76 1jez n LEU 277 Ca -0.05 1.08 0.10 0.00 -1.11 0.00 0.00 56.01 56.03 1jez n LEU 277 Cb 0.55 -1.26 0.17 0.00 0.53 0.00 0.00 43.42 43.41 1jez n LEU 277 CO 0.86 -0.59 0.30 -2.65 -1.11 0.00 0.00 177.39 174.20 1jez n PRO 278 N 3.94 -0.01 -0.02 1.96 -0.02 -1.26 0.22 135.00 139.81 1jez n PRO 278 Ca 0.20 0.33 -0.13 0.00 -2.02 0.00 0.00 63.50 61.88 1jez n PRO 278 Cb 0.21 -0.63 -0.09 0.00 -0.02 0.00 0.00 33.50 32.97 1jez n PRO 278 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1jez h GLU 279 N 0.00 0.04 -0.55 -0.52 4.39 -2.00 -3.21 114.58 112.74 1jez h GLU 279 Ca 0.22 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1jez h GLU 279 Cb 0.69 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1jez h GLU 279 CO -0.14 0.51 0.00 0.54 -1.16 0.00 0.00 179.01 178.76 1jez n ARG 280 N -4.83 2.42 0.17 2.33 5.12 0.61 -4.49 116.66 117.98 1jez n ARG 280 Ca -0.08 -1.59 -0.15 0.00 -1.93 0.00 0.00 57.85 54.10 1jez n ARG 280 Cb 0.26 -1.55 -0.09 0.00 -1.16 0.00 0.00 32.46 29.92 1jez n ARG 280 CO 0.00 0.00 0.00 -0.07 -1.93 0.00 0.00 177.63 175.63 1jez h LEU 281 N 2.35 -1.29 -0.72 0.55 3.38 -1.26 -0.74 115.31 117.59 1jez h LEU 281 Ca 0.00 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1jez h LEU 281 Cb 0.84 0.46 -0.03 0.00 0.09 0.00 0.00 40.66 42.02 1jez h LEU 281 CO 0.10 -0.53 0.36 0.58 0.09 0.00 0.00 178.44 179.04 1jez h VAL 282 N -0.75 1.23 -0.67 1.22 2.07 -1.83 -2.97 116.25 114.54 1jez h VAL 282 Ca -0.03 -0.64 0.05 0.00 0.82 0.00 0.00 66.70 66.91 1jez h VAL 282 Cb 0.70 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1jez h VAL 282 CO -0.16 0.27 0.44 -0.61 0.02 0.00 0.00 177.57 177.53 1jez h GLN 283 N 1.00 0.71 0.00 1.57 4.15 -1.76 -2.03 115.11 118.75 1jez h GLN 283 Ca 0.25 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.62 1jez h GLN 283 Cb 0.10 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1jez h GLN 283 CO -0.03 0.47 0.00 0.09 -1.93 0.00 0.00 178.83 177.43 1jez n ASN 284 N -4.47 0.00 -0.23 -0.69 3.02 -0.31 -2.81 115.26 109.77 1jez n ASN 284 Ca 0.09 -0.33 0.02 0.00 -0.03 0.00 0.00 54.58 54.34 1jez n ASN 284 Cb 0.18 -0.20 0.04 0.00 -0.61 0.00 0.00 39.78 39.20 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 -1.20 1.37 -2.66 3.52 1.85 -0.78 -4.73 116.66 114.02 1jez n ARG 285 Ca 0.15 -1.27 -0.09 0.00 -1.00 0.00 0.00 57.85 55.64 1jez n ARG 285 Cb 0.17 -1.10 0.03 0.00 -1.05 0.00 0.00 32.46 30.51 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 0.08 1.92 -0.85 2.89 3.41 -1.09 -4.86 113.62 115.12 1jez n SER 286 Ca 0.04 -2.67 0.12 0.00 -0.26 0.00 0.00 58.87 56.10 1jez n SER 286 Cb 0.22 -0.50 0.24 0.00 -0.26 0.00 0.00 64.21 63.92 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 -0.27 0.12 -1.63 7.33 1.16 -1.25 -4.58 117.46 118.35 1jez n PHE 287 Ca 0.13 -0.06 -0.31 0.00 -1.87 0.00 0.00 57.45 55.33 1jez n PHE 287 Cb 0.81 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.63 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 1.02 7.10 -0.49 5.98 3.02 -1.26 -4.22 115.26 126.41 1jez n ASN 288 Ca 0.16 -3.08 0.06 0.00 -0.03 0.00 0.00 54.58 51.69 1jez n ASN 288 Cb 0.52 -1.32 0.06 0.00 -0.61 0.00 0.00 39.78 38.44 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 1.50 0.15 -3.73 3.41 -2.24 -1.26 -5.01 114.28 107.11 1jez n THR 289 Ca 0.55 -0.58 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 1jez n THR 289 Cb 0.45 1.13 -0.05 0.00 -2.10 0.00 0.00 70.33 69.75 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 -0.96 -0.06 0.02 4.78 -0.71 -1.26 -5.17 117.98 114.62 1jez s PHE 290 Ca 0.15 -0.29 0.07 0.00 -1.04 0.00 0.00 56.93 55.81 1jez s PHE 290 Cb 0.10 0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 42.06 1jez s PHE 290 CO 0.15 -0.70 -0.18 -0.51 -1.34 0.00 0.00 175.22 172.63 1jez s ASP 291 N -2.84 3.79 0.23 1.98 1.01 -1.26 -5.08 116.67 114.50 1jez s ASP 291 Ca 0.06 -0.39 -0.17 0.00 0.71 0.00 0.00 52.55 52.76 1jez s ASP 291 Cb 0.02 -0.63 -0.08 0.00 1.01 0.00 0.00 42.92 43.24 1jez s ASP 291 CO -0.09 0.28 0.68 -0.76 0.21 0.00 0.00 175.17 175.49 1jez s LEU 292 N -1.26 4.28 0.52 1.23 1.43 -1.26 -5.08 118.68 118.54 1jez s LEU 292 Ca 0.14 1.30 0.03 0.00 -1.03 0.00 0.00 54.13 54.56 1jez s LEU 292 Cb -0.10 -3.63 0.03 0.00 0.03 0.00 0.00 46.19 42.52 1jez s LEU 292 CO 0.04 -0.01 0.72 0.42 0.23 0.00 0.00 176.35 177.76 1jez s THR 293 N -1.62 2.75 0.28 5.49 -4.23 -1.26 -4.92 115.64 112.13 1jez s THR 293 Ca 0.44 -0.75 0.02 0.00 -1.18 0.00 0.00 61.69 60.22 1jez s THR 293 Cb -0.15 -3.00 0.27 0.00 1.34 0.00 0.00 72.50 70.96 1jez s THR 293 CO 0.20 -0.00 1.79 0.50 -0.54 0.00 0.00 174.62 176.57 1jez h LYS 294 N 0.21 0.75 -0.37 3.99 3.64 -1.99 -0.48 116.57 122.33 1jez h LYS 294 Ca -0.42 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 58.80 1jez h LYS 294 Cb 1.29 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1jez h LYS 294 CO 0.50 0.50 -0.24 0.93 -2.27 0.00 0.00 179.45 178.87 1jez h GLU 295 N 0.77 0.81 -0.78 1.90 3.07 -1.99 -1.22 114.58 117.15 1jez h GLU 295 Ca 0.51 -0.38 0.08 0.00 -0.50 0.00 0.00 59.36 59.06 1jez h GLU 295 Cb 0.68 -0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 28.52 1jez h GLU 295 CO -0.34 1.01 0.45 -0.44 -1.40 0.00 0.00 179.01 178.29 1jez h ASP 296 N 0.60 0.66 -0.53 1.42 3.32 -1.52 0.40 116.42 120.78 1jez h ASP 296 Ca 0.07 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 1jez h ASP 296 Cb 0.80 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 1jez h ASP 296 CO 0.07 0.40 -0.04 -0.26 -1.72 0.00 0.00 179.24 177.69 1jez h PHE 297 N 0.79 1.08 -0.62 4.55 0.04 -0.88 -1.68 116.94 120.21 1jez h PHE 297 Ca 0.36 -0.19 -0.07 0.00 2.80 0.00 0.00 57.97 60.87 1jez h PHE 297 Cb 0.27 -0.28 -0.03 0.00 2.20 0.00 0.00 35.95 38.11 1jez h PHE 297 CO -0.06 0.98 0.12 0.93 -0.60 0.00 0.00 178.31 179.67 1jez h GLU 298 N 0.90 1.00 -0.42 1.51 5.08 -0.36 0.14 114.58 122.42 1jez h GLU 298 Ca 0.16 -0.24 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 1jez h GLU 298 Cb 0.58 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 1jez h GLU 298 CO 0.03 0.91 -0.20 0.93 -1.00 0.00 0.00 179.01 179.69 1jez h GLU 299 N 0.95 0.83 -0.03 2.33 4.39 -0.68 -2.86 114.58 119.51 1jez h GLU 299 Ca 0.19 -0.33 -0.18 0.00 0.34 0.00 0.00 59.36 59.39 1jez h GLU 299 Cb 0.39 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1jez h GLU 299 CO 0.01 0.96 -0.75 0.82 -1.16 0.00 0.00 179.01 178.88 1jez h ILE 300 N 0.73 1.44 0.00 3.13 2.04 -1.01 -3.08 117.51 120.76 1jez h ILE 300 Ca 0.10 -2.31 -0.01 0.00 1.00 0.00 0.00 64.86 63.65 1jez h ILE 300 Cb 0.72 2.24 -0.00 0.00 -0.74 0.00 0.00 36.82 39.04 1jez h ILE 300 CO 0.06 0.68 -0.02 0.00 0.00 0.00 0.00 178.15 178.86 1jez h ALA 301 N 1.06 1.89 0.00 1.87 0.00 -0.51 -2.02 119.26 121.54 1jez h ALA 301 Ca -0.03 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1jez h ALA 301 Cb 1.32 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1jez h ALA 301 CO 0.12 0.03 0.00 0.87 0.00 0.00 0.00 179.25 180.27 1jez h LYS 302 N 0.00 0.00 0.00 0.00 1.57 -1.42 -2.83 116.57 113.88 1jez h LYS 302 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jez h LYS 302 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1jez h LYS 302 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.81 1jez h LEU 303 N 0.00 0.00 -8.81 2.94 3.38 -1.53 -3.45 115.31 107.84 1jez h LEU 303 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1jez h LEU 303 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.97 1jez h LEU 303 CO 0.00 0.00 1.53 -0.62 0.09 0.00 0.00 178.44 179.44 1jez s ASP 304 N -4.84 5.07 -0.04 -0.43 2.15 -0.81 -4.33 116.67 113.45 1jez s ASP 304 Ca 0.10 1.47 0.08 0.00 0.43 0.00 0.00 52.55 54.62 1jez s ASP 304 Cb 0.11 -2.51 0.17 0.00 -0.30 0.00 0.00 42.92 40.39 1jez s ASP 304 CO 0.61 -2.32 1.12 2.30 -0.17 0.00 0.00 175.17 176.71 1jez n ILE 305 N 7.81 1.30 -3.50 4.11 -5.35 -1.01 -4.99 119.36 117.72 1jez n ILE 305 Ca 0.32 -1.34 -0.20 0.00 -0.27 0.00 0.00 62.75 61.26 1jez n ILE 305 Cb 0.49 0.28 0.08 0.00 -1.74 0.00 0.00 39.64 38.76 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 -0.48 -0.44 3.48 3.28 0.00 -0.17 -4.96 105.19 105.89 1jez n GLY 306 Ca 0.08 0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.84 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 -6.79 4.89 -0.24 0.99 2.96 -0.30 -4.98 118.68 115.21 1jez s LEU 307 Ca 0.30 -0.71 -0.08 0.00 -0.22 0.00 0.00 54.13 53.41 1jez s LEU 307 Cb -0.13 -2.42 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 1jez s LEU 307 CO 0.72 -0.65 0.10 -0.60 -1.32 0.00 0.00 176.35 174.60 1jez s ARG 308 N 2.24 3.83 0.01 1.98 3.52 -1.26 -4.30 118.95 124.97 1jez s ARG 308 Ca 0.13 -0.40 0.19 0.00 -0.13 0.00 0.00 55.73 55.53 1jez s ARG 308 Cb -0.17 -3.38 -0.19 0.00 -1.56 0.00 0.00 34.95 29.64 1jez s ARG 308 CO 0.14 -0.05 0.62 1.19 -0.81 0.00 0.00 175.30 176.39 1jez n PHE 309 N 4.54 0.53 -3.63 5.12 3.72 -1.26 -4.64 117.46 121.83 1jez n PHE 309 Ca -0.16 0.17 -0.38 0.00 -0.05 0.00 0.00 57.45 57.03 1jez n PHE 309 Cb 0.52 -0.89 -0.08 0.00 -0.94 0.00 0.00 39.48 38.09 1jez n PHE 309 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1jez s ASN 310 N -5.31 5.67 -0.20 4.37 2.47 -1.26 -4.98 114.94 115.70 1jez s ASN 310 Ca -0.05 -3.04 0.01 0.00 0.42 0.00 0.00 52.86 50.20 1jez s ASN 310 Cb 0.10 -1.93 0.04 0.00 -1.45 0.00 0.00 41.25 38.01 1jez s ASN 310 CO 0.84 -0.36 -0.13 -0.62 -3.72 0.00 0.00 177.10 173.11 1jez s ASP 311 N 0.73 3.47 0.47 -4.21 -1.08 -1.26 -5.00 116.67 109.79 1jez s ASP 311 Ca 0.20 -0.89 0.32 0.00 -0.52 0.00 0.00 52.55 51.66 1jez s ASP 311 Cb -0.16 -1.36 1.71 0.00 -1.46 0.00 0.00 42.92 41.65 1jez s ASP 311 CO -0.06 -0.11 1.98 -0.65 0.52 0.00 0.00 175.17 176.85 1jez h PRO 312 N 7.93 0.00 -0.01 4.34 0.11 -1.97 -0.63 132.00 141.78 1jez h PRO 312 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1jez h PRO 312 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1jez h PRO 312 CO 0.52 0.00 0.01 2.35 -0.21 0.00 0.00 178.00 180.67 1jez h TRP 313 N 0.00 0.00 0.00 0.65 2.91 -1.86 0.08 115.95 117.73 1jez h TRP 313 Ca 0.00 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.02 1jez h TRP 313 Cb 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.68 1jez h TRP 313 CO 0.00 0.00 0.00 -0.44 -1.03 0.00 0.00 178.44 176.97 1jez h ASP 314 N 0.00 0.00 0.03 2.65 3.32 -1.43 -0.79 116.42 120.20 1jez h ASP 314 Ca 0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jez h ASP 314 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1jez h ASP 314 CO -0.00 0.00 -0.02 -0.50 -1.72 0.00 0.00 179.24 177.00 1jez h TRP 315 N 0.00 -0.04 0.00 4.55 6.55 -1.10 -3.43 115.95 122.48 1jez h TRP 315 Ca 0.00 -0.00 -0.14 0.00 0.95 0.00 0.00 58.89 59.70 1jez h TRP 315 Cb 0.87 0.01 -0.13 0.00 -0.86 0.00 0.00 29.16 29.06 1jez h TRP 315 CO 0.00 0.63 -0.23 -3.47 -1.05 0.00 0.00 178.44 174.32 1jez n ASP 316 N -4.76 -1.20 -3.76 -3.49 2.03 -1.14 -4.99 116.55 99.23 1jez n ASP 316 Ca -0.09 -1.99 -0.25 0.00 0.52 0.00 0.00 54.79 52.98 1jez n ASP 316 Cb 0.34 0.54 0.04 0.00 -0.72 0.00 0.00 41.12 41.32 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 -1.15 -3.41 -4.64 1.67 5.03 -0.30 -4.93 115.26 107.52 1jez n ASN 317 Ca -0.16 -0.76 -0.42 0.00 0.87 0.00 0.00 54.58 54.10 1jez n ASN 317 Cb 0.80 -4.17 -0.03 0.00 -1.02 0.00 0.00 39.78 35.35 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 -3.45 4.70 0.00 2.41 1.01 -1.14 -4.89 121.20 119.83 1jez s ILE 318 Ca 0.36 1.71 0.00 0.00 0.00 0.00 0.00 60.65 62.71 1jez s ILE 318 Cb -0.17 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.03 1jez s ILE 318 CO 0.80 -0.24 0.73 -0.81 0.00 0.00 0.00 174.94 175.43 1jez n PRO 319 N 6.36 0.53 -0.27 2.79 -0.04 -1.26 -2.80 135.00 140.31 1jez n PRO 319 Ca 0.09 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.49 1jez n PRO 319 Cb 0.47 -1.23 0.06 0.00 -0.04 0.00 0.00 33.50 32.75 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 0.84 1.25 -0.41 0.52 1.08 -1.95 -3.17 117.51 115.68 1jez h ILE 320 Ca 0.00 -0.77 -0.19 0.00 -0.39 0.00 0.00 64.86 63.51 1jez h ILE 320 Cb 0.53 0.35 -0.11 0.00 -3.07 0.00 0.00 36.82 34.52 1jez h ILE 320 CO 0.00 0.32 0.02 0.49 -0.69 0.00 0.00 178.15 178.28 1jez n PHE 321 N -4.34 1.29 -0.05 1.37 3.72 -1.26 -4.69 117.46 113.50 1jez n PHE 321 Ca 0.06 -1.50 0.00 0.00 -0.05 0.00 0.00 57.45 55.97 1jez n PHE 321 Cb 0.17 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.20 1jez n PHE 321 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 176.76 178.04