#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfl s LYS 2 N 0.00 0.95 -0.16 0.03 1.02 -0.78 -4.94 119.74 115.86 1jfl s LYS 2 Ca 0.00 -0.29 -0.26 0.00 0.02 0.00 0.00 55.97 55.44 1jfl s LYS 2 Cb 0.00 -0.89 -0.02 0.00 -0.52 0.00 0.00 37.83 36.40 1jfl s LYS 2 CO 0.00 0.10 0.85 0.99 -0.92 0.00 0.00 175.35 176.36 1jfl s THR 3 N 0.25 4.88 -0.06 2.17 2.01 -1.26 -4.46 115.64 119.17 1jfl s THR 3 Ca -0.04 1.68 -0.30 0.00 0.31 0.00 0.00 61.69 63.34 1jfl s THR 3 Cb -0.09 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.24 1jfl s THR 3 CO 0.01 0.03 1.08 -0.63 -0.69 0.00 0.00 174.62 174.42 1jfl s ILE 4 N 2.07 4.56 -0.14 1.82 1.01 -0.69 -0.80 121.20 129.02 1jfl s ILE 4 Ca 0.40 1.85 -0.04 0.00 0.00 0.00 0.00 60.65 62.86 1jfl s ILE 4 Cb -0.17 -4.19 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 1jfl s ILE 4 CO 0.13 0.04 -0.01 -0.83 0.00 0.00 0.00 174.94 174.27 1jfl s GLY 5 N 1.20 1.79 -0.22 6.18 0.00 0.18 -0.59 107.32 115.85 1jfl s GLY 5 Ca 0.52 -0.80 -0.01 0.00 0.00 0.00 0.00 44.72 44.43 1jfl s GLY 5 CO 0.22 -0.16 -0.10 -0.42 0.00 0.00 0.00 173.10 172.64 1jfl s ILE 6 N 0.08 2.66 -0.68 0.90 1.01 -0.32 -1.30 121.20 123.55 1jfl s ILE 6 Ca 0.01 -0.95 -0.19 0.00 0.00 0.00 0.00 60.65 59.52 1jfl s ILE 6 Cb -0.13 -2.28 0.11 0.00 0.01 0.00 0.00 42.46 40.17 1jfl s ILE 6 CO 0.02 0.32 0.84 -0.22 0.00 0.00 0.00 174.94 175.91 1jfl s LEU 7 N 1.32 5.18 0.00 2.97 0.20 -0.49 -1.57 118.68 126.29 1jfl s LEU 7 Ca 0.02 -1.51 0.00 0.00 0.69 0.00 0.00 54.13 53.32 1jfl s LEU 7 Cb -0.15 -2.34 0.00 0.00 -0.43 0.00 0.00 46.19 43.27 1jfl s LEU 7 CO -0.07 -1.15 0.00 0.61 -0.29 0.00 0.00 176.35 175.45 1jfl n GLY 8 N 5.24 5.80 0.00 7.98 0.00 -0.76 -4.06 105.19 119.38 1jfl n GLY 8 Ca -0.01 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.92 1jfl n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jfl n GLY 9 N 5.00 0.98 2.46 -0.02 0.00 -1.26 -2.02 105.19 110.33 1jfl n GLY 9 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1jfl n GLY 9 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jfl n MET 10 N -1.73 2.20 -2.10 1.61 2.00 -1.26 -3.77 117.12 114.07 1jfl n MET 10 Ca 0.00 -4.33 -0.10 0.00 0.00 0.00 0.00 57.70 53.27 1jfl n MET 10 Cb 0.00 -2.01 0.02 0.00 0.00 0.00 0.00 33.22 31.23 1jfl n MET 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1jfl n GLY 11 N 0.70 2.25 0.24 3.03 0.00 -1.26 -4.36 105.19 105.78 1jfl n GLY 11 Ca 0.28 -2.19 0.01 0.00 0.00 0.00 0.00 46.02 44.12 1jfl n GLY 11 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jfl h PRO 12 N 0.00 0.34 -0.47 1.61 0.11 -1.95 -2.35 132.00 129.29 1jfl h PRO 12 Ca -0.13 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.96 1jfl h PRO 12 Cb 0.57 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 1jfl h PRO 12 CO 0.20 0.22 0.31 1.25 -0.21 0.00 0.00 178.00 179.77 1jfl h LEU 13 N 0.35 0.53 -1.35 2.35 5.85 -1.96 -1.29 115.31 119.78 1jfl h LEU 13 Ca 0.34 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 59.00 1jfl h LEU 13 Cb 0.48 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 1jfl h LEU 13 CO -0.37 0.38 -0.00 0.00 -0.34 0.00 0.00 178.44 178.11 1jfl h ALA 14 N 1.18 1.47 -0.30 1.25 0.00 -1.81 -1.29 119.26 119.75 1jfl h ALA 14 Ca 0.17 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1jfl h ALA 14 Cb -0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1jfl h ALA 14 CO -0.04 0.38 0.03 1.15 0.00 0.00 0.00 179.25 180.76 1jfl h THR 15 N 0.42 1.24 -0.42 0.00 2.02 -0.85 -1.34 112.91 113.97 1jfl h THR 15 Ca 0.09 -0.86 -0.06 0.00 0.77 0.00 0.00 66.41 66.35 1jfl h THR 15 Cb 0.28 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 1jfl h THR 15 CO 0.01 0.28 0.02 0.00 0.37 0.00 0.00 175.52 176.19 1jfl h ALA 16 N 0.86 1.24 -0.38 6.16 0.00 -0.86 -2.37 119.26 123.90 1jfl h ALA 16 Ca 0.09 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1jfl h ALA 16 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1jfl h ALA 16 CO 0.01 0.51 -0.28 1.49 0.00 0.00 0.00 179.25 180.98 1jfl h GLU 17 N 0.64 0.82 -0.51 0.00 4.57 -1.00 -1.63 114.58 117.47 1jfl h GLU 17 Ca 0.13 -0.37 -0.02 0.00 -1.18 0.00 0.00 59.36 57.92 1jfl h GLU 17 Cb 0.38 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.93 1jfl h GLU 17 CO 0.01 1.00 0.22 1.25 -1.18 0.00 0.00 179.01 180.31 1jfl h LEU 18 N 0.70 0.69 -0.38 1.64 5.85 -0.98 -1.15 115.31 121.68 1jfl h LEU 18 Ca 0.08 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.65 1jfl h LEU 18 Cb 0.82 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1jfl h LEU 18 CO 0.07 0.65 0.24 0.15 -0.34 0.00 0.00 178.44 179.21 1jfl h PHE 19 N 0.68 0.48 -0.61 1.25 -0.00 -1.29 -1.70 116.94 115.75 1jfl h PHE 19 Ca 0.17 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 58.15 1jfl h PHE 19 Cb 0.16 -0.16 -0.03 0.00 -0.00 0.00 0.00 35.95 35.92 1jfl h PHE 19 CO 0.00 0.32 0.40 -0.09 -0.00 0.00 0.00 178.31 178.94 1jfl h ARG 20 N 0.50 0.81 -0.52 1.11 2.43 -0.98 -2.34 114.38 115.39 1jfl h ARG 20 Ca 0.14 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.21 1jfl h ARG 20 Cb -0.03 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.31 1jfl h ARG 20 CO -0.03 0.55 0.16 0.00 -1.51 0.00 0.00 179.97 179.15 1jfl h ARG 21 N 0.83 0.76 -0.45 0.20 3.08 -0.87 -0.68 114.38 117.25 1jfl h ARG 21 Ca 0.22 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 60.13 1jfl h ARG 21 Cb -0.08 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 1jfl h ARG 21 CO -0.05 0.66 0.24 0.82 -1.07 0.00 0.00 179.97 180.57 1jfl h ILE 22 N 0.75 1.17 -0.33 2.04 2.04 -0.96 0.36 117.51 122.58 1jfl h ILE 22 Ca 0.17 -0.45 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 1jfl h ILE 22 Cb 0.22 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 1jfl h ILE 22 CO -0.01 0.18 0.14 0.58 0.00 0.00 0.00 178.15 179.04 1jfl h VAL 23 N 0.59 1.17 -0.60 1.67 2.07 -0.88 -2.56 116.25 117.71 1jfl h VAL 23 Ca 0.16 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.11 1jfl h VAL 23 Cb 0.07 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1jfl h VAL 23 CO -0.02 0.18 0.17 0.40 0.02 0.00 0.00 177.57 178.32 1jfl h ILE 24 N 0.39 1.23 -0.17 4.57 1.08 -0.93 -2.57 117.51 121.11 1jfl h ILE 24 Ca 0.11 -0.82 0.00 0.00 -0.39 0.00 0.00 64.86 63.76 1jfl h ILE 24 Cb 0.16 0.60 0.00 0.00 -3.07 0.00 0.00 36.82 34.50 1jfl h ILE 24 CO -0.01 0.31 0.00 0.29 -0.69 0.00 0.00 178.15 178.05 1jfl n LYS 25 N -4.27 1.40 -3.40 2.37 5.02 0.10 -4.82 118.16 114.55 1jfl n LYS 25 Ca 0.05 -0.61 -0.39 0.00 -2.02 0.00 0.00 58.31 55.33 1jfl n LYS 25 Cb 0.22 -1.14 -0.09 0.00 -0.02 0.00 0.00 35.03 34.00 1jfl n LYS 25 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1jfl s THR 26 N -1.77 5.19 -0.56 -0.18 2.01 -0.97 -4.99 115.64 114.37 1jfl s THR 26 Ca 0.11 0.57 -0.28 0.00 0.31 0.00 0.00 61.69 62.41 1jfl s THR 26 Cb 0.06 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.90 1jfl s THR 26 CO 0.08 0.19 1.28 -2.16 -0.69 0.00 0.00 174.62 173.31 1jfl s PRO 27 N 1.87 3.46 0.03 4.92 0.04 -1.26 -4.96 135.00 139.10 1jfl s PRO 27 Ca 0.15 0.37 -0.27 0.00 0.04 0.00 0.00 61.00 61.29 1jfl s PRO 27 Cb -0.15 -4.05 0.07 0.00 0.04 0.00 0.00 34.50 30.41 1jfl s PRO 27 CO 0.09 -1.75 0.63 0.00 0.04 0.00 0.00 177.00 176.02 1jfl s ALA 28 N 5.32 -1.66 -0.24 8.56 0.00 -1.26 -4.93 121.76 127.55 1jfl s ALA 28 Ca 0.47 0.96 0.06 0.00 0.00 0.00 0.00 51.96 53.45 1jfl s ALA 28 Cb -0.09 0.34 -0.07 0.00 0.00 0.00 0.00 23.12 23.30 1jfl s ALA 28 CO 0.26 -0.52 0.24 0.36 0.00 0.00 0.00 175.76 176.10 1jfl n LYS 29 N 0.43 4.05 -3.98 0.00 2.85 -1.26 -5.02 118.16 115.23 1jfl n LYS 29 Ca -0.18 -0.01 -0.09 0.00 -1.05 0.00 0.00 58.31 56.98 1jfl n LYS 29 Cb 0.60 -0.86 -0.10 0.00 -0.65 0.00 0.00 35.03 34.02 1jfl n LYS 29 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 1jfl s ARG 30 N -1.75 0.41 0.22 -1.58 1.70 -1.26 -5.06 118.95 111.64 1jfl s ARG 30 Ca 0.01 -0.71 -0.10 0.00 -0.47 0.00 0.00 55.73 54.46 1jfl s ARG 30 Cb 0.05 0.15 0.30 0.00 -0.57 0.00 0.00 34.95 34.88 1jfl s ARG 30 CO 0.25 -0.08 1.66 -0.44 -1.08 0.00 0.00 175.30 175.62 1jfl h ASP 31 N 4.23 -0.27 0.00 -2.89 3.45 -1.99 -2.05 116.42 116.90 1jfl h ASP 31 Ca -0.32 0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.29 1jfl h ASP 31 Cb 1.19 0.27 0.00 0.00 -0.56 0.00 0.00 39.33 40.24 1jfl h ASP 31 CO 0.46 -0.11 0.05 0.00 -1.57 0.00 0.00 179.24 178.07 1jfl n GLN 32 N -5.28 0.00 0.00 3.56 3.00 -1.26 -1.48 117.38 115.92 1jfl n GLN 32 Ca 0.09 0.44 0.12 0.00 -0.01 0.00 0.00 57.00 57.64 1jfl n GLN 32 Cb 0.36 -1.55 0.20 0.00 0.00 0.00 0.00 30.24 29.25 1jfl n GLN 32 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1jfl n GLU 33 N -1.43 0.86 -2.85 -1.09 1.02 -0.77 -4.93 120.64 111.44 1jfl n GLU 33 Ca 0.00 -0.61 -0.33 0.00 -0.02 0.00 0.00 57.16 56.20 1jfl n GLU 33 Cb 0.05 -1.49 -0.07 0.00 -0.02 0.00 0.00 31.44 29.91 1jfl n GLU 33 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1jfl s HIS 34 N -2.56 3.36 0.62 -0.32 3.76 -0.55 -4.93 115.29 114.68 1jfl s HIS 34 Ca 0.20 1.59 -0.15 0.00 -0.15 0.00 0.00 55.06 56.56 1jfl s HIS 34 Cb 0.18 -2.83 -0.02 0.00 1.11 0.00 0.00 32.58 31.02 1jfl s HIS 34 CO 0.57 -0.05 1.06 -1.25 -0.85 0.00 0.00 174.74 174.22 1jfl s PRO 35 N -3.03 3.20 0.37 8.40 0.04 -1.26 -5.02 135.00 137.71 1jfl s PRO 35 Ca 0.60 1.15 -0.25 0.00 0.04 0.00 0.00 61.00 62.54 1jfl s PRO 35 Cb -0.10 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.33 1jfl s PRO 35 CO 0.15 -0.90 1.02 0.15 0.04 0.00 0.00 177.00 177.46 1jfl s LYS 36 N -4.31 4.30 -0.02 4.56 1.02 -1.26 -4.98 119.74 119.06 1jfl s LYS 36 Ca 0.62 1.46 0.00 0.00 0.02 0.00 0.00 55.97 58.08 1jfl s LYS 36 Cb -0.16 -2.63 0.02 0.00 -0.52 0.00 0.00 37.83 34.55 1jfl s LYS 36 CO 0.41 -0.01 0.01 0.08 -0.92 0.00 0.00 175.35 174.93 1jfl s VAL 37 N -1.65 0.05 -0.20 3.17 1.01 -1.26 -1.71 120.40 119.82 1jfl s VAL 37 Ca 0.55 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.66 1jfl s VAL 37 Cb -0.21 -0.14 0.03 0.00 0.00 0.00 0.00 36.38 36.06 1jfl s VAL 37 CO 0.27 0.09 -0.17 -0.63 0.00 0.00 0.00 175.10 174.65 1jfl s ILE 38 N 0.78 2.03 -0.15 2.22 1.01 0.24 -4.96 121.20 122.38 1jfl s ILE 38 Ca -0.07 -1.08 -0.02 0.00 0.00 0.00 0.00 60.65 59.48 1jfl s ILE 38 Cb -0.10 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 1jfl s ILE 38 CO -0.02 0.39 -0.08 -0.63 0.00 0.00 0.00 174.94 174.60 1jfl s ILE 39 N 1.26 3.46 -0.37 2.92 1.01 -1.26 -1.18 121.20 127.05 1jfl s ILE 39 Ca 0.02 -0.51 0.01 0.00 0.00 0.00 0.00 60.65 60.17 1jfl s ILE 39 Cb -0.15 -2.49 0.10 0.00 0.01 0.00 0.00 42.46 39.93 1jfl s ILE 39 CO -0.11 0.51 0.11 0.12 0.00 0.00 0.00 174.94 175.57 1jfl s PHE 40 N 0.40 3.70 -0.54 3.97 2.19 -0.61 -4.97 117.98 122.11 1jfl s PHE 40 Ca -0.07 -2.77 -0.24 0.00 0.33 0.00 0.00 56.93 54.18 1jfl s PHE 40 Cb -0.15 -3.04 0.04 0.00 -1.31 0.00 0.00 43.02 38.56 1jfl s PHE 40 CO 0.04 -0.96 0.91 1.21 1.83 0.00 0.00 175.22 178.25 1jfl s ASN 41 N 1.27 6.34 -0.62 6.13 3.84 -1.26 -1.83 114.94 128.81 1jfl s ASN 41 Ca 0.10 -0.38 0.04 0.00 0.21 0.00 0.00 52.86 52.84 1jfl s ASN 41 Cb -0.21 -2.42 0.15 0.00 -0.55 0.00 0.00 41.25 38.22 1jfl s ASN 41 CO -0.06 -1.18 0.39 0.21 -2.79 0.00 0.00 177.10 173.66 1jfl s ASN 42 N 2.79 4.60 0.63 -4.21 2.47 -0.85 -4.84 114.94 115.53 1jfl s ASN 42 Ca 0.29 -3.47 0.41 0.00 0.42 0.00 0.00 52.86 50.52 1jfl s ASN 42 Cb -0.13 -1.64 2.11 0.00 -1.45 0.00 0.00 41.25 40.14 1jfl s ASN 42 CO 0.19 -0.15 2.25 -0.65 -3.72 0.00 0.00 177.10 175.02 1jfl h PRO 43 N 5.91 0.00 0.00 0.43 0.11 -1.80 -2.88 132.00 133.77 1jfl h PRO 43 Ca 0.04 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1jfl h PRO 43 Cb 0.82 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.93 1jfl h PRO 43 CO 0.71 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.54 1jfl n GLN 44 N -3.06 0.62 -1.95 1.05 3.00 -1.26 -4.72 117.38 111.05 1jfl n GLN 44 Ca -0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.55 1jfl n GLN 44 Cb 0.14 -1.45 -0.03 0.00 0.00 0.00 0.00 30.24 28.90 1jfl n GLN 44 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 1jfl s ILE 45 N -2.00 3.14 0.54 5.09 1.01 -1.09 -4.91 121.20 122.97 1jfl s ILE 45 Ca 0.27 0.54 -0.21 0.00 0.00 0.00 0.00 60.65 61.25 1jfl s ILE 45 Cb 0.12 -3.35 -0.07 0.00 0.01 0.00 0.00 42.46 39.18 1jfl s ILE 45 CO 0.21 -0.01 1.00 -2.65 0.00 0.00 0.00 174.94 173.49 1jfl n PRO 46 N 5.76 1.13 -1.63 2.79 -0.02 -1.26 -4.85 135.00 136.92 1jfl n PRO 46 Ca 0.16 0.42 -0.52 0.00 -2.02 0.00 0.00 63.50 61.54 1jfl n PRO 46 Cb 0.41 -2.15 -0.06 0.00 -0.02 0.00 0.00 33.50 31.68 1jfl n PRO 46 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1jfl n ASP 47 N -0.31 2.09 -0.04 2.55 2.03 -1.26 -4.66 116.55 116.95 1jfl n ASP 47 Ca 0.12 1.10 -0.13 0.00 0.52 0.00 0.00 54.79 56.39 1jfl n ASP 47 Cb 0.44 -1.22 -0.08 0.00 -0.72 0.00 0.00 41.12 39.54 1jfl n ASP 47 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1jfl h ARG 48 N 5.57 0.21 -0.41 -0.67 -0.00 -1.92 -3.17 114.38 113.98 1jfl h ARG 48 Ca -0.47 -0.11 0.00 0.00 -0.50 0.00 0.00 59.98 58.90 1jfl h ARG 48 Cb 1.32 0.01 -0.02 0.00 0.00 0.00 0.00 29.97 31.27 1jfl h ARG 48 CO 0.84 0.64 0.27 1.15 0.00 0.00 0.00 179.97 182.87 1jfl h THR 49 N -0.22 1.11 -0.91 2.04 2.02 -1.93 -0.98 112.91 114.04 1jfl h THR 49 Ca 0.01 -0.21 0.12 0.00 0.77 0.00 0.00 66.41 67.10 1jfl h THR 49 Cb 0.61 0.51 -0.07 0.00 -1.74 0.00 0.00 68.15 67.46 1jfl h THR 49 CO 0.02 0.11 0.59 0.00 0.37 0.00 0.00 175.52 176.60 1jfl h ALA 50 N 1.14 1.69 -0.08 6.16 0.00 -1.96 -1.17 119.26 125.04 1jfl h ALA 50 Ca 0.15 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.89 1jfl h ALA 50 Cb -0.05 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.57 1jfl h ALA 50 CO -0.03 0.09 -0.65 -0.92 0.00 0.00 0.00 179.25 177.75 1jfl h TYR 51 N 0.83 0.80 -0.96 0.00 3.20 -1.42 -2.43 116.97 116.99 1jfl h TYR 51 Ca 0.44 -0.38 0.10 0.00 3.14 0.00 0.00 58.73 62.03 1jfl h TYR 51 Cb 0.54 -0.11 -0.07 0.00 1.54 0.00 0.00 36.73 38.63 1jfl h TYR 51 CO -0.00 1.19 0.62 0.82 -1.64 0.00 0.00 178.16 179.14 1jfl h ILE 52 N 0.19 0.97 0.00 1.81 1.08 -0.33 0.52 117.51 121.75 1jfl h ILE 52 Ca -0.06 -0.34 -0.06 0.00 -0.39 0.00 0.00 64.86 64.02 1jfl h ILE 52 Cb 1.31 -0.11 -0.01 0.00 -3.07 0.00 0.00 36.82 34.94 1jfl h ILE 52 CO 0.13 0.18 -0.27 -0.07 -0.69 0.00 0.00 178.15 177.43 1jfl h LEU 53 N 0.99 0.00 0.00 1.44 3.38 -1.27 -3.48 115.31 116.37 1jfl h LEU 53 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1jfl h LEU 53 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1jfl h LEU 53 CO -0.21 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.20 1jfl n GLY 54 N 0.34 1.71 0.00 0.83 0.00 0.18 -5.03 105.19 103.22 1jfl n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1jfl n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jfl n LYS 55 N -0.99 3.05 -2.67 1.61 5.02 -1.03 -5.04 118.16 118.11 1jfl n LYS 55 Ca 0.00 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.07 1jfl n LYS 55 Cb 0.00 -0.31 0.09 0.00 -0.02 0.00 0.00 35.03 34.79 1jfl n LYS 55 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1jfl s GLY 56 N -0.17 1.77 0.51 0.72 0.00 -0.94 -4.97 107.32 104.23 1jfl s GLY 56 Ca 0.00 -1.74 -0.21 0.00 0.00 0.00 0.00 44.72 42.78 1jfl s GLY 56 CO 0.00 -1.23 1.14 1.85 0.00 0.00 0.00 173.10 174.86 1jfl s GLU 57 N -5.00 3.49 0.06 2.90 2.12 -1.26 -4.59 118.70 116.42 1jfl s GLU 57 Ca 0.64 1.68 -0.31 0.00 0.36 0.00 0.00 54.97 57.34 1jfl s GLU 57 Cb -0.06 -2.15 -0.08 0.00 0.26 0.00 0.00 34.13 32.10 1jfl s GLU 57 CO 0.42 -0.75 1.69 0.34 -0.54 0.00 0.00 175.26 176.43 1jfl s ASP 58 N -1.62 6.59 0.00 -1.70 -1.08 -1.26 -4.61 116.67 112.99 1jfl s ASP 58 Ca 0.70 2.49 0.27 0.00 -0.52 0.00 0.00 52.55 55.48 1jfl s ASP 58 Cb -0.26 -2.56 0.85 0.00 -1.46 0.00 0.00 42.92 39.50 1jfl s ASP 58 CO 0.30 -0.91 1.63 -0.81 0.52 0.00 0.00 175.17 175.90 1jfl n PRO 59 N 5.95 0.56 -0.23 4.34 -0.04 -1.26 -4.32 135.00 140.00 1jfl n PRO 59 Ca 0.16 -0.28 -0.04 0.00 -0.04 0.00 0.00 63.50 63.30 1jfl n PRO 59 Cb 0.41 -1.49 0.13 0.00 -0.04 0.00 0.00 33.50 32.50 1jfl n PRO 59 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jfl h ARG 60 N 0.69 1.05 -0.24 0.54 3.08 -1.94 -1.95 114.38 115.62 1jfl h ARG 60 Ca 0.00 -0.19 0.04 0.00 0.07 0.00 0.00 59.98 59.90 1jfl h ARG 60 Cb 0.47 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1jfl h ARG 60 CO 0.00 0.86 0.01 -1.35 -1.07 0.00 0.00 179.97 178.42 1jfl h PRO 61 N 1.03 0.09 -0.17 0.04 0.11 -2.00 0.13 132.00 131.23 1jfl h PRO 61 Ca 0.24 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.21 1jfl h PRO 61 Cb 0.21 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.29 1jfl h PRO 61 CO -0.02 0.06 -0.44 1.96 -0.21 0.00 0.00 178.00 179.35 1jfl h GLN 62 N 0.09 0.41 -0.03 1.05 1.08 -1.85 -0.54 115.11 115.32 1jfl h GLN 62 Ca 0.11 -0.22 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1jfl h GLN 62 Cb 0.13 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.57 1jfl h GLN 62 CO -0.18 0.78 0.02 -0.07 -0.95 0.00 0.00 178.83 178.43 1jfl h LEU 63 N 0.34 0.04 -0.72 1.46 3.38 -0.85 -0.87 115.31 118.09 1jfl h LEU 63 Ca 0.02 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 1jfl h LEU 63 Cb 0.91 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 1jfl h LEU 63 CO 0.08 0.15 0.19 0.40 0.09 0.00 0.00 178.44 179.35 1jfl h ILE 64 N -0.07 1.26 -0.57 1.22 2.04 -0.68 -1.46 117.51 119.26 1jfl h ILE 64 Ca 0.01 -0.96 0.02 0.00 1.00 0.00 0.00 64.86 64.93 1jfl h ILE 64 Cb 0.12 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 36.67 1jfl h ILE 64 CO -0.00 0.37 0.35 -0.25 0.00 0.00 0.00 178.15 178.62 1jfl h TRP 65 N 1.08 0.67 -0.60 1.37 7.01 -0.88 -0.31 115.95 124.29 1jfl h TRP 65 Ca 0.23 0.02 -0.09 0.00 2.11 0.00 0.00 58.89 61.15 1jfl h TRP 65 Cb 0.36 -0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 1jfl h TRP 65 CO 0.03 0.40 0.01 1.15 -2.79 0.00 0.00 178.44 177.23 1jfl h THR 66 N 0.71 1.26 -0.34 2.65 2.02 -0.86 -1.09 112.91 117.27 1jfl h THR 66 Ca 0.22 -1.13 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 1jfl h THR 66 Cb -0.02 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1jfl h THR 66 CO -0.08 0.41 0.12 0.00 0.37 0.00 0.00 175.52 176.34 1jfl h ALA 67 N 1.04 0.44 -0.43 6.16 0.00 -0.82 -1.54 119.26 124.11 1jfl h ALA 67 Ca 0.17 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1jfl h ALA 67 Cb 0.54 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1jfl h ALA 67 CO 0.03 0.06 0.10 0.87 0.00 0.00 0.00 179.25 180.31 1jfl h LYS 68 N 0.39 0.64 -0.36 0.00 1.57 -0.88 -2.31 116.57 115.63 1jfl h LYS 68 Ca 0.11 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.66 1jfl h LYS 68 Cb 0.23 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.42 1jfl h LYS 68 CO -0.01 0.60 -0.21 -0.09 -0.57 0.00 0.00 179.45 179.17 1jfl h ARG 69 N 0.63 0.78 -0.86 3.15 9.65 -0.91 -1.16 114.38 125.66 1jfl h ARG 69 Ca 0.14 -0.35 0.04 0.00 -1.10 0.00 0.00 59.98 58.71 1jfl h ARG 69 Cb 0.25 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.76 1jfl h ARG 69 CO -0.00 0.98 0.54 -0.07 2.80 0.00 0.00 179.97 184.22 1jfl h LEU 70 N 0.56 0.89 -0.26 3.80 3.38 -1.01 0.32 115.31 122.99 1jfl h LEU 70 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1jfl h LEU 70 Cb 0.76 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1jfl h LEU 70 CO 0.06 0.60 0.11 -0.08 0.09 0.00 0.00 178.44 179.21 1jfl h GLU 71 N 1.04 0.39 -0.31 1.13 4.81 -1.25 -0.39 114.58 120.00 1jfl h GLU 71 Ca 0.35 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.48 1jfl h GLU 71 Cb 0.06 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 1jfl h GLU 71 CO -0.13 0.42 0.03 1.49 -0.73 0.00 0.00 179.01 180.08 1jfl h GLU 72 N 0.27 0.46 0.00 1.92 4.81 -0.24 -2.42 114.58 119.37 1jfl h GLU 72 Ca 0.09 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1jfl h GLU 72 Cb 0.17 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1jfl h GLU 72 CO -0.01 0.47 0.00 0.00 -0.73 0.00 0.00 179.01 178.74 1jfl n GLY 74 N 1.27 0.92 3.77 0.00 0.00 -0.80 -5.07 105.19 105.27 1jfl n GLY 74 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1jfl n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfl s ALA 75 N -1.77 3.39 -0.31 4.61 0.00 -0.22 -4.75 121.76 122.72 1jfl s ALA 75 Ca 0.00 1.09 0.22 0.00 0.00 0.00 0.00 51.96 53.28 1jfl s ALA 75 Cb 0.00 -3.41 -0.09 0.00 0.00 0.00 0.00 23.12 19.61 1jfl s ALA 75 CO 0.00 -0.48 0.86 -0.25 0.00 0.00 0.00 175.76 175.89 1jfl n ASP 76 N 0.75 0.52 -3.55 0.00 8.00 0.02 -4.64 116.55 117.64 1jfl n ASP 76 Ca 0.01 0.03 -0.10 0.00 0.71 0.00 0.00 54.79 55.44 1jfl n ASP 76 Cb 0.44 1.04 -0.02 0.00 -0.02 0.00 0.00 41.12 42.56 1jfl n ASP 76 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1jfl s PHE 77 N -3.35 -0.42 0.01 1.24 -0.12 -1.20 -4.40 117.98 109.75 1jfl s PHE 77 Ca -0.01 0.15 0.06 0.00 -0.05 0.00 0.00 56.93 57.07 1jfl s PHE 77 Cb 0.13 0.60 -0.02 0.00 -0.63 0.00 0.00 43.02 43.10 1jfl s PHE 77 CO 0.83 -0.92 -0.17 0.42 -0.05 0.00 0.00 175.22 175.33 1jfl s ILE 78 N -3.71 1.37 0.11 -4.49 1.01 -0.36 -0.64 121.20 114.48 1jfl s ILE 78 Ca 0.04 -0.91 0.05 0.00 0.00 0.00 0.00 60.65 59.84 1jfl s ILE 78 Cb -0.02 -1.18 -0.04 0.00 0.01 0.00 0.00 42.46 41.24 1jfl s ILE 78 CO -0.07 0.25 -0.13 0.27 0.00 0.00 0.00 174.94 175.26 1jfl s ILE 79 N -0.60 1.19 -0.10 2.92 -4.36 -0.42 -0.55 121.20 119.28 1jfl s ILE 79 Ca 0.06 -1.61 -0.01 0.00 -0.26 0.00 0.00 60.65 58.83 1jfl s ILE 79 Cb -0.07 -1.39 0.03 0.00 1.25 0.00 0.00 42.46 42.27 1jfl s ILE 79 CO 0.00 -0.41 -0.05 -0.04 0.24 0.00 0.00 174.94 174.68 1jfl s MET 80 N -2.51 1.23 -1.48 0.37 -1.94 -1.26 -1.40 119.30 112.31 1jfl s MET 80 Ca 0.06 -0.14 -0.11 0.00 -1.71 0.00 0.00 55.69 53.79 1jfl s MET 80 Cb -0.05 -1.38 0.02 0.00 2.01 0.00 0.00 34.83 35.42 1jfl s MET 80 CO 0.02 -0.27 2.49 -0.35 -0.01 0.00 0.00 175.02 176.90 1jfl n PRO 81 N 4.98 3.55 -3.58 2.03 -0.04 -1.26 -4.76 135.00 135.93 1jfl n PRO 81 Ca -0.11 -2.71 -0.02 0.00 -0.04 0.00 0.00 63.50 60.62 1jfl n PRO 81 Cb 0.50 -2.95 -0.05 0.00 -0.04 0.00 0.00 33.50 30.96 1jfl n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jfl h ASN 83 N 7.39 -0.72 -0.74 0.00 2.35 -1.89 -3.28 115.58 118.69 1jfl h ASN 83 Ca -0.21 0.01 0.18 0.00 -0.55 0.00 0.00 56.30 55.72 1jfl h ASN 83 Cb 1.14 0.19 -0.04 0.00 0.05 0.00 0.00 38.32 39.66 1jfl h ASN 83 CO 0.12 -0.34 0.51 0.71 -1.65 0.00 0.00 177.43 176.78 1jfl h THR 84 N -1.20 0.72 0.00 2.81 1.35 -1.91 -0.52 112.91 114.17 1jfl h THR 84 Ca -0.09 -0.08 -0.01 0.00 -0.55 0.00 0.00 66.41 65.68 1jfl h THR 84 Cb 0.67 0.46 -0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1jfl h THR 84 CO 0.14 0.04 -0.04 0.00 -0.25 0.00 0.00 175.52 175.41 1jfl h ALA 85 N 1.65 1.46 0.00 6.62 0.00 -1.98 -1.28 119.26 125.74 1jfl h ALA 85 Ca 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1jfl h ALA 85 Cb 1.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1jfl h ALA 85 CO -0.08 0.06 0.00 0.72 0.00 0.00 0.00 179.25 179.94 1jfl n HIS 86 N -3.81 0.00 0.31 0.00 -0.00 -0.20 -1.74 115.22 109.78 1jfl n HIS 86 Ca -0.03 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.86 1jfl n HIS 86 Cb 0.14 -0.36 0.70 0.00 -0.00 0.00 0.00 29.99 30.47 1jfl n HIS 86 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1jfl h ALA 87 N 2.62 1.00 -0.16 -1.41 0.00 -1.39 -2.38 119.26 117.54 1jfl h ALA 87 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1jfl h ALA 87 Cb 0.17 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1jfl h ALA 87 CO 0.00 0.00 -0.02 1.19 0.00 0.00 0.00 179.25 180.42 1jfl n PHE 88 N -2.86 0.57 -0.17 0.00 3.01 -0.71 -4.74 117.46 112.56 1jfl n PHE 88 Ca 0.00 -1.00 0.06 0.00 1.01 0.00 0.00 57.45 57.53 1jfl n PHE 88 Cb 0.25 -0.26 0.35 0.00 -0.01 0.00 0.00 39.48 39.81 1jfl n PHE 88 CO 0.00 0.00 0.00 -0.24 1.01 0.00 0.00 176.76 177.53 1jfl h VAL 89 N 1.03 1.03 -0.13 -4.37 3.04 -1.52 -1.65 116.25 113.68 1jfl h VAL 89 Ca 0.02 -0.26 -0.15 0.00 -1.01 0.00 0.00 66.70 65.30 1jfl h VAL 89 Cb 1.28 0.21 -0.01 0.00 -2.01 0.00 0.00 31.29 30.76 1jfl h VAL 89 CO 0.14 0.14 -0.57 -0.33 -1.01 0.00 0.00 177.57 175.94 1jfl h GLU 90 N 0.75 0.42 -0.60 4.17 4.39 -1.85 -1.13 114.58 120.73 1jfl h GLU 90 Ca 0.30 -0.27 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 1jfl h GLU 90 Cb 0.24 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1jfl h GLU 90 CO -0.10 0.87 0.19 -0.44 -1.16 0.00 0.00 179.01 178.38 1jfl h ASP 91 N 0.32 0.86 -0.29 1.42 3.32 -1.68 -2.22 116.42 118.15 1jfl h ASP 91 Ca 0.00 -0.20 -0.12 0.00 0.02 0.00 0.00 57.03 56.73 1jfl h ASP 91 Cb 1.09 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 40.41 1jfl h ASP 91 CO 0.10 0.83 -0.28 0.40 -1.72 0.00 0.00 179.24 178.57 1jfl h ILE 92 N 0.84 1.30 -0.84 0.35 2.04 -1.27 -3.16 117.51 116.77 1jfl h ILE 92 Ca 0.19 -1.45 0.05 0.00 1.00 0.00 0.00 64.86 64.65 1jfl h ILE 92 Cb 0.27 1.58 -0.05 0.00 -0.74 0.00 0.00 36.82 37.88 1jfl h ILE 92 CO -0.01 0.46 0.55 0.03 0.00 0.00 0.00 178.15 179.19 1jfl h ARG 93 N 0.44 0.97 0.00 2.37 3.08 -1.06 -1.89 114.38 118.29 1jfl h ARG 93 Ca 0.05 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1jfl h ARG 93 Cb 0.85 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.68 1jfl h ARG 93 CO 0.07 0.64 -0.06 0.87 -1.07 0.00 0.00 179.97 180.42 1jfl h LYS 94 N 1.00 0.00 -0.00 0.04 1.57 -1.37 -3.09 116.57 114.72 1jfl h LYS 94 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1jfl h LYS 94 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1jfl h LYS 94 CO -0.11 0.06 -0.69 0.00 -0.57 0.00 0.00 179.45 178.13 1jfl n ALA 95 N -2.15 4.03 -2.48 3.86 0.00 -0.72 -4.97 120.51 118.08 1jfl n ALA 95 Ca -0.01 -0.48 -0.23 0.00 0.00 0.00 0.00 53.44 52.72 1jfl n ALA 95 Cb 0.26 -0.95 -0.11 0.00 0.00 0.00 0.00 19.45 18.66 1jfl n ALA 95 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1jfl s ILE 96 N -2.92 1.51 -0.18 0.00 -4.36 -1.17 -4.92 121.20 109.16 1jfl s ILE 96 Ca 0.11 -2.04 0.16 0.00 -0.26 0.00 0.00 60.65 58.62 1jfl s ILE 96 Cb 0.17 -2.74 -0.24 0.00 1.25 0.00 0.00 42.46 40.90 1jfl s ILE 96 CO 0.75 -0.09 0.13 0.29 0.24 0.00 0.00 174.94 176.25 1jfl n LYS 97 N -0.72 0.68 -2.77 0.37 5.02 -1.26 -4.93 118.16 114.55 1jfl n LYS 97 Ca -0.04 0.05 -0.32 0.00 -2.02 0.00 0.00 58.31 55.98 1jfl n LYS 97 Cb 0.66 -1.56 -0.05 0.00 -0.02 0.00 0.00 35.03 34.06 1jfl n LYS 97 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 1jfl s ILE 98 N -2.51 4.55 0.62 -0.18 -4.36 -1.26 -5.05 121.20 113.01 1jfl s ILE 98 Ca -0.12 1.18 -0.12 0.00 -0.26 0.00 0.00 60.65 61.33 1jfl s ILE 98 Cb 0.07 -3.65 -0.03 0.00 1.25 0.00 0.00 42.46 40.09 1jfl s ILE 98 CO 0.81 -0.43 1.03 -2.16 0.24 0.00 0.00 174.94 174.44 1jfl s PRO 99 N -3.49 3.43 -0.17 0.37 0.04 -1.26 -4.89 135.00 129.04 1jfl s PRO 99 Ca 0.58 0.88 -0.01 0.00 0.04 0.00 0.00 61.00 62.49 1jfl s PRO 99 Cb -0.10 -2.06 -0.00 0.00 0.04 0.00 0.00 34.50 32.38 1jfl s PRO 99 CO 0.22 -0.70 -0.13 0.42 0.04 0.00 0.00 177.00 176.84 1jfl s ILE 100 N -3.00 2.80 -0.29 0.56 1.01 -1.26 -1.23 121.20 119.80 1jfl s ILE 100 Ca 0.57 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 60.35 1jfl s ILE 100 Cb -0.12 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.12 1jfl s ILE 100 CO 0.50 0.50 0.42 -0.63 0.00 0.00 0.00 174.94 175.72 1jfl s ILE 101 N 0.90 5.13 -0.08 2.92 1.01 0.28 -4.94 121.20 126.43 1jfl s ILE 101 Ca -0.03 0.53 -0.30 0.00 0.00 0.00 0.00 60.65 60.85 1jfl s ILE 101 Cb -0.15 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.52 1jfl s ILE 101 CO -0.01 0.06 1.10 -0.55 0.00 0.00 0.00 174.94 175.54 1jfl s SER 102 N 1.65 7.16 0.29 3.58 0.15 -1.26 -4.54 113.70 120.73 1jfl s SER 102 Ca 0.16 1.66 0.01 0.00 0.70 0.00 0.00 55.95 58.48 1jfl s SER 102 Cb -0.16 -2.56 0.45 0.00 -1.71 0.00 0.00 66.02 62.05 1jfl s SER 102 CO 0.11 -0.51 1.81 -0.03 1.20 0.00 0.00 173.24 175.81 1jfl h MET 103 N 7.26 0.66 -0.18 5.44 4.05 -1.93 -0.44 114.93 129.79 1jfl h MET 103 Ca -0.32 -0.16 -0.06 0.00 -0.28 0.00 0.00 59.70 58.87 1jfl h MET 103 Cb 1.15 -0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.87 1jfl h MET 103 CO 0.87 0.69 -0.14 0.82 0.23 0.00 0.00 176.91 179.38 1jfl h ILE 104 N 0.62 1.33 -0.43 1.77 1.08 -1.93 -2.58 117.51 117.38 1jfl h ILE 104 Ca 0.13 -1.27 -0.10 0.00 -0.39 0.00 0.00 64.86 63.23 1jfl h ILE 104 Cb 0.41 1.77 -0.01 0.00 -3.07 0.00 0.00 36.82 35.92 1jfl h ILE 104 CO 0.02 0.38 -0.14 -0.08 -0.69 0.00 0.00 178.15 177.64 1jfl h GLU 105 N 0.07 0.85 -0.40 2.37 4.81 -1.90 -2.04 114.58 118.34 1jfl h GLU 105 Ca 0.03 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 1jfl h GLU 105 Cb 0.66 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1jfl h GLU 105 CO 0.04 0.98 0.16 0.93 -0.73 0.00 0.00 179.01 180.39 1jfl h GLU 106 N 0.68 0.57 -0.36 1.92 4.39 -1.12 -0.41 114.58 120.25 1jfl h GLU 106 Ca 0.10 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 1jfl h GLU 106 Cb 0.69 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1jfl h GLU 106 CO 0.05 0.47 -0.26 1.15 -1.16 0.00 0.00 179.01 179.25 1jfl h THR 107 N 0.57 1.29 -0.61 1.13 2.02 -1.29 -1.46 112.91 114.55 1jfl h THR 107 Ca 0.14 -1.42 -0.02 0.00 0.77 0.00 0.00 66.41 65.88 1jfl h THR 107 Cb 0.11 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 67.90 1jfl h THR 107 CO -0.01 0.47 0.32 0.00 0.37 0.00 0.00 175.52 176.66 1jfl h ALA 108 N 0.77 0.78 -0.78 6.16 0.00 -0.68 -0.28 119.26 125.24 1jfl h ALA 108 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1jfl h ALA 108 Cb 0.83 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1jfl h ALA 108 CO 0.07 0.31 0.44 0.87 0.00 0.00 0.00 179.25 180.94 1jfl h LYS 109 N 0.82 1.07 -0.29 0.00 1.57 -0.98 -0.87 116.57 117.90 1jfl h LYS 109 Ca 0.21 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1jfl h LYS 109 Cb 0.07 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1jfl h LYS 109 CO -0.03 0.78 0.04 -0.22 -0.57 0.00 0.00 179.45 179.45 1jfl h LYS 110 N 1.07 0.48 -0.70 3.15 1.63 -0.86 -0.53 116.57 120.81 1jfl h LYS 110 Ca 0.27 -0.13 0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1jfl h LYS 110 Cb 0.01 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.55 1jfl h LYS 110 CO -0.05 0.59 0.45 0.28 -3.45 0.00 0.00 179.45 177.28 1jfl h VAL 111 N 0.30 1.19 -0.25 2.00 2.07 -0.82 -1.67 116.25 119.07 1jfl h VAL 111 Ca 0.09 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1jfl h VAL 111 Cb 0.35 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1jfl h VAL 111 CO 0.01 0.19 0.07 0.50 0.02 0.00 0.00 177.57 178.36 1jfl h LYS 112 N 0.96 0.39 -0.05 1.57 3.64 -1.03 -2.63 116.57 119.43 1jfl h LYS 112 Ca 0.26 -0.09 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1jfl h LYS 112 Cb -0.08 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 1jfl h LYS 112 CO -0.05 0.48 0.03 0.93 -2.27 0.00 0.00 179.45 178.57 1jfl h GLU 113 N 0.23 0.00 -0.01 1.90 5.08 -0.74 0.49 114.58 121.54 1jfl h GLU 113 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1jfl h GLU 113 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 1jfl h GLU 113 CO -0.00 0.00 -0.00 1.28 -1.00 0.00 0.00 179.01 179.29 1jfl n LEU 114 N -4.46 0.72 0.00 1.33 4.77 -0.66 -4.93 117.00 113.77 1jfl n LEU 114 Ca -0.02 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 1jfl n LEU 114 Cb 0.13 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1jfl n LEU 114 CO 0.34 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 1jfl n GLY 115 N 1.09 0.67 3.77 -0.72 0.00 0.16 -5.04 105.19 105.12 1jfl n GLY 115 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 1jfl n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jfl s PHE 116 N -2.53 3.41 -0.08 1.61 0.08 -1.01 -4.95 117.98 114.52 1jfl s PHE 116 Ca 0.00 1.66 0.08 0.00 0.12 0.00 0.00 56.93 58.79 1jfl s PHE 116 Cb 0.00 -3.25 -0.12 0.00 -0.57 0.00 0.00 43.02 39.08 1jfl s PHE 116 CO 0.00 -0.68 0.21 1.63 -0.10 0.00 0.00 175.22 176.28 1jfl n LYS 117 N 0.65 0.99 -3.87 0.44 4.76 -1.26 -4.59 118.16 115.27 1jfl n LYS 117 Ca 0.01 -0.06 -0.17 0.00 -2.87 0.00 0.00 58.31 55.22 1jfl n LYS 117 Cb 0.46 -1.14 -0.16 0.00 -1.84 0.00 0.00 35.03 32.35 1jfl n LYS 117 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1jfl s LYS 118 N -2.42 0.24 -0.05 1.97 1.02 -1.26 -0.90 119.74 118.33 1jfl s LYS 118 Ca -0.02 0.12 0.05 0.00 0.02 0.00 0.00 55.97 56.14 1jfl s LYS 118 Cb 0.05 -0.49 -0.00 0.00 -0.52 0.00 0.00 37.83 36.87 1jfl s LYS 118 CO 0.34 -0.17 -0.19 0.00 -0.92 0.00 0.00 175.35 174.41 1jfl s ALA 119 N 1.22 1.67 -0.19 5.17 0.00 -0.03 -1.18 121.76 128.42 1jfl s ALA 119 Ca -0.07 -0.76 -0.18 0.00 0.00 0.00 0.00 51.96 50.95 1jfl s ALA 119 Cb -0.13 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 1jfl s ALA 119 CO -0.02 0.30 0.50 0.20 0.00 0.00 0.00 175.76 176.74 1jfl s GLY 120 N 0.04 2.11 -0.21 0.00 0.00 -0.34 -0.68 107.32 108.25 1jfl s GLY 120 Ca -0.05 -0.38 -0.08 0.00 0.00 0.00 0.00 44.72 44.21 1jfl s GLY 120 CO 0.03 1.02 0.08 -2.27 0.00 0.00 0.00 173.10 171.96 1jfl s LEU 121 N 1.48 3.72 -0.33 0.66 2.96 0.29 -0.21 118.68 127.24 1jfl s LEU 121 Ca 0.24 -0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 54.11 1jfl s LEU 121 Cb -0.15 -1.97 0.07 0.00 0.50 0.00 0.00 46.19 44.64 1jfl s LEU 121 CO 0.10 0.09 0.06 -0.76 -1.32 0.00 0.00 176.35 174.52 1jfl s LEU 122 N 0.90 4.33 0.37 -0.68 1.43 -0.77 -4.51 118.68 119.75 1jfl s LEU 122 Ca 0.04 -1.49 -0.14 0.00 -1.03 0.00 0.00 54.13 51.51 1jfl s LEU 122 Cb -0.14 -1.75 0.04 0.00 0.03 0.00 0.00 46.19 44.37 1jfl s LEU 122 CO 0.03 -0.35 0.73 0.00 0.23 0.00 0.00 176.35 177.00 1jfl s ALA 123 N 1.22 -0.52 0.73 4.21 0.00 -1.26 -0.15 121.76 126.00 1jfl s ALA 123 Ca -0.01 -0.85 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 1jfl s ALA 123 Cb -0.20 0.76 0.03 0.00 0.00 0.00 0.00 23.12 23.71 1jfl s ALA 123 CO -0.02 -0.96 1.08 0.95 0.00 0.00 0.00 175.76 176.82 1jfl s THR 124 N -2.51 3.51 0.24 0.00 -4.23 -1.26 -4.82 115.64 106.57 1jfl s THR 124 Ca 0.18 0.52 -0.04 0.00 -1.18 0.00 0.00 61.69 61.17 1jfl s THR 124 Cb -0.04 -3.07 0.11 0.00 1.34 0.00 0.00 72.50 70.83 1jfl s THR 124 CO 0.13 -0.61 1.74 0.74 -0.54 0.00 0.00 174.62 176.07 1jfl h THR 125 N -0.84 1.25 -0.90 3.99 2.02 -1.99 -2.01 112.91 114.43 1jfl h THR 125 Ca -0.44 -1.03 -0.00 0.00 0.77 0.00 0.00 66.41 65.71 1jfl h THR 125 Cb 1.23 0.84 -0.04 0.00 -1.74 0.00 0.00 68.15 68.43 1jfl h THR 125 CO 0.53 0.37 0.55 1.23 0.37 0.00 0.00 175.52 178.56 1jfl h GLY 126 N 0.99 1.30 0.94 2.16 0.00 -1.96 0.29 103.07 106.79 1jfl h GLY 126 Ca 0.15 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 1jfl h GLY 126 CO 0.02 0.52 0.10 -0.84 0.00 0.00 0.00 176.54 176.35 1jfl h THR 127 N 1.24 1.11 0.03 4.70 2.02 -1.79 -1.07 112.91 119.15 1jfl h THR 127 Ca 0.32 -0.29 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 1jfl h THR 127 Cb -0.06 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.30 1jfl h THR 127 CO -0.06 0.10 -0.01 0.40 0.37 0.00 0.00 175.52 176.32 1jfl h ILE 128 N 0.21 1.03 -0.34 3.11 2.04 -0.99 -2.62 117.51 119.95 1jfl h ILE 128 Ca 0.07 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.76 1jfl h ILE 128 Cb 0.07 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 1jfl h ILE 128 CO -0.01 0.04 0.22 0.58 0.00 0.00 0.00 178.15 178.99 1jfl h VAL 129 N -0.12 1.08 0.00 1.67 2.07 -0.87 0.15 116.25 120.23 1jfl h VAL 129 Ca -0.00 -0.15 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1jfl h VAL 129 Cb 0.11 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 1jfl h VAL 129 CO 0.01 0.08 -0.19 0.77 0.02 0.00 0.00 177.57 178.26 1jfl h SER 130 N 0.45 0.00 -0.12 0.57 4.64 -0.87 -3.46 113.55 114.76 1jfl h SER 130 Ca 0.12 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.39 1jfl h SER 130 Cb -0.04 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.03 1jfl h SER 130 CO -0.03 0.19 -0.05 0.61 -0.87 0.00 0.00 176.83 176.68 1jfl n GLY 131 N -0.64 0.48 0.27 -0.77 0.00 0.53 -4.92 105.19 100.13 1jfl n GLY 131 Ca -0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 1jfl n GLY 131 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1jfl h VAL 132 N 0.00 1.01 -0.45 1.61 -1.51 -1.82 -0.85 116.25 114.24 1jfl h VAL 132 Ca -0.05 -0.26 -0.09 0.00 -1.23 0.00 0.00 66.70 65.07 1jfl h VAL 132 Cb 0.52 0.19 -0.01 0.00 -2.13 0.00 0.00 31.29 29.86 1jfl h VAL 132 CO 0.07 0.14 -0.08 1.88 -1.23 0.00 0.00 177.57 178.35 1jfl h TYR 133 N 0.75 0.94 -0.48 5.19 -1.99 -1.91 -2.56 116.97 116.90 1jfl h TYR 133 Ca 0.30 -0.19 0.00 0.00 2.00 0.00 0.00 58.73 60.84 1jfl h TYR 133 Cb 0.14 -0.23 -0.02 0.00 2.00 0.00 0.00 36.73 38.62 1jfl h TYR 133 CO -0.06 0.93 0.31 0.93 -0.00 0.00 0.00 178.16 180.27 1jfl h GLU 134 N 0.68 0.64 0.32 4.88 3.07 -1.84 -0.55 114.58 121.78 1jfl h GLU 134 Ca 0.12 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.36 58.92 1jfl h GLU 134 Cb 0.61 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 1jfl h GLU 134 CO 0.04 0.44 -0.15 -0.22 -1.40 0.00 0.00 179.01 177.72 1jfl h LYS 135 N 0.65 -0.41 -0.41 2.33 3.64 -1.11 -2.03 116.57 119.24 1jfl h LYS 135 Ca 0.18 0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.45 1jfl h LYS 135 Cb -0.05 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1jfl h LYS 135 CO -0.04 -0.23 -0.29 0.93 -2.27 0.00 0.00 179.45 177.56 1jfl h GLU 136 N -0.49 0.92 -0.73 1.90 4.39 -1.43 -2.64 114.58 116.49 1jfl h GLU 136 Ca -0.04 -0.44 -0.06 0.00 0.34 0.00 0.00 59.36 59.16 1jfl h GLU 136 Cb 0.37 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.98 1jfl h GLU 136 CO 0.07 1.09 0.22 0.74 -1.16 0.00 0.00 179.01 179.97 1jfl h PHE 137 N 0.74 1.19 -0.60 4.33 -1.00 -1.14 -2.61 116.94 117.84 1jfl h PHE 137 Ca 0.08 -0.12 -0.05 0.00 2.81 0.00 0.00 57.97 60.69 1jfl h PHE 137 Cb 0.87 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 40.06 1jfl h PHE 137 CO 0.06 0.94 0.19 0.77 -1.61 0.00 0.00 178.31 178.66 1jfl h SER 138 N 1.09 0.84 -0.18 2.17 0.02 -1.32 0.13 113.55 116.29 1jfl h SER 138 Ca 0.23 -0.14 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1jfl h SER 138 Cb 0.32 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1jfl h SER 138 CO -0.01 0.79 0.13 0.50 -1.14 0.00 0.00 176.83 177.10 1jfl h LYS 139 N 0.88 0.09 -0.55 3.45 3.64 -1.09 -0.53 116.57 122.47 1jfl h LYS 139 Ca 0.20 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1jfl h LYS 139 Cb 0.25 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 1jfl h LYS 139 CO -0.01 0.06 0.02 0.66 -2.27 0.00 0.00 179.45 177.91 1jfl n TYR 140 N -4.50 1.97 -1.82 1.91 4.02 -0.45 -4.95 117.16 113.35 1jfl n TYR 140 Ca 0.01 -0.78 -0.14 0.00 -0.01 0.00 0.00 57.90 56.98 1jfl n TYR 140 Cb 0.19 -0.50 -0.03 0.00 -0.02 0.00 0.00 39.34 38.98 1jfl n TYR 140 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jfl n GLY 141 N 0.43 0.65 3.41 2.72 0.00 -0.21 -4.82 105.19 107.37 1jfl n GLY 141 Ca 0.28 -0.33 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 1jfl n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jfl s VAL 142 N -2.61 3.22 -0.10 1.61 1.01 0.33 -4.84 120.40 119.02 1jfl s VAL 142 Ca 0.00 -0.61 -0.22 0.00 0.00 0.00 0.00 61.98 61.15 1jfl s VAL 142 Cb 0.00 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1jfl s VAL 142 CO 0.00 0.53 0.64 -0.70 0.00 0.00 0.00 175.10 175.57 1jfl s GLU 143 N 0.20 4.37 -0.00 2.72 2.12 -0.08 -3.19 118.70 124.84 1jfl s GLU 143 Ca -0.07 0.74 -0.16 0.00 0.36 0.00 0.00 54.97 55.83 1jfl s GLU 143 Cb -0.15 -3.47 -0.06 0.00 0.26 0.00 0.00 34.13 30.72 1jfl s GLU 143 CO 0.05 0.03 0.46 0.42 -0.54 0.00 0.00 175.26 175.68 1jfl s ILE 144 N 0.97 4.98 -0.09 -3.70 -1.09 -1.26 -0.85 121.20 120.15 1jfl s ILE 144 Ca 0.33 0.95 0.02 0.00 -2.23 0.00 0.00 60.65 59.73 1jfl s ILE 144 Cb -0.17 -3.78 0.01 0.00 -1.58 0.00 0.00 42.46 36.95 1jfl s ILE 144 CO 0.15 0.53 -0.16 -0.32 -1.23 0.00 0.00 174.94 173.91 1jfl s MET 145 N -0.81 2.26 0.31 2.79 -2.45 0.15 -4.93 119.30 116.61 1jfl s MET 145 Ca 0.25 -0.59 0.09 0.00 -1.25 0.00 0.00 55.69 54.19 1jfl s MET 145 Cb -0.17 -1.84 -0.06 0.00 1.25 0.00 0.00 34.83 34.01 1jfl s MET 145 CO 0.14 0.03 -0.10 0.95 1.05 0.00 0.00 175.02 177.09 1jfl s THR 146 N 0.72 2.04 0.91 10.11 -4.23 -1.26 -0.55 115.64 123.38 1jfl s THR 146 Ca -0.12 -2.21 -0.12 0.00 -1.18 0.00 0.00 61.69 58.06 1jfl s THR 146 Cb -0.16 -2.50 0.14 0.00 1.34 0.00 0.00 72.50 71.32 1jfl s THR 146 CO 0.03 -0.28 1.10 -2.84 -0.54 0.00 0.00 174.62 172.08 1jfl s PRO 147 N -3.64 1.15 1.05 3.99 0.02 -1.26 -5.01 135.00 131.30 1jfl s PRO 147 Ca 0.31 0.67 -0.13 0.00 0.02 0.00 0.00 61.00 61.86 1jfl s PRO 147 Cb 0.02 -1.81 0.22 0.00 0.02 0.00 0.00 34.50 32.94 1jfl s PRO 147 CO 0.14 -2.28 1.09 0.95 -0.33 0.00 0.00 177.00 176.57 1jfl s THR 148 N -3.00 1.95 0.25 0.99 -4.23 -1.26 -4.62 115.64 105.72 1jfl s THR 148 Ca 0.64 0.00 -0.05 0.00 -1.18 0.00 0.00 61.69 61.09 1jfl s THR 148 Cb -0.17 -2.45 0.24 0.00 1.34 0.00 0.00 72.50 71.46 1jfl s THR 148 CO 0.56 0.00 1.90 -0.33 -0.54 0.00 0.00 174.62 176.21 1jfl h GLU 149 N -2.08 1.17 -0.02 3.99 5.08 -1.98 0.38 114.58 121.12 1jfl h GLU 149 Ca -0.55 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 57.74 1jfl h GLU 149 Cb 1.33 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1jfl h GLU 149 CO 0.55 0.77 0.00 -0.44 -1.00 0.00 0.00 179.01 178.89 1jfl h ASP 150 N 1.20 0.03 -0.05 1.42 3.45 -2.00 -2.31 116.42 118.16 1jfl h ASP 150 Ca 0.38 -0.28 -0.03 0.00 0.43 0.00 0.00 57.03 57.53 1jfl h ASP 150 Cb -0.00 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 1jfl h ASP 150 CO -0.12 0.30 -0.03 -0.33 -1.57 0.00 0.00 179.24 177.49 1jfl h GLU 151 N -0.24 0.22 -0.16 3.56 5.08 -1.80 -1.79 114.58 119.44 1jfl h GLU 151 Ca 0.01 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 1jfl h GLU 151 Cb 0.29 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.48 1jfl h GLU 151 CO 0.00 0.27 -0.29 0.37 -1.00 0.00 0.00 179.01 178.36 1jfl h GLN 152 N 0.21 0.31 -0.19 2.33 5.75 -0.01 -1.72 115.11 121.80 1jfl h GLN 152 Ca 0.05 -0.12 -0.04 0.00 -0.15 0.00 0.00 58.65 58.39 1jfl h GLN 152 Cb 0.20 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 1jfl h GLN 152 CO 0.01 0.58 -0.08 0.87 -2.65 0.00 0.00 178.83 177.56 1jfl h LYS 153 N 0.28 0.29 -0.17 1.69 1.57 -0.76 -1.14 116.57 118.32 1jfl h LYS 153 Ca 0.04 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1jfl h LYS 153 Cb 0.66 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1jfl h LYS 153 CO 0.05 0.38 -0.15 -0.44 -0.57 0.00 0.00 179.45 178.72 1jfl h ASP 154 N 0.28 0.43 -0.54 0.86 3.32 -1.21 -0.79 116.42 118.77 1jfl h ASP 154 Ca 0.06 -0.47 0.06 0.00 0.02 0.00 0.00 57.03 56.70 1jfl h ASP 154 Cb 0.32 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.70 1jfl h ASP 154 CO 0.02 0.81 0.25 0.58 -1.72 0.00 0.00 179.24 179.18 1jfl h VAL 155 N 0.05 0.91 -0.28 -1.35 2.07 -0.88 0.43 116.25 117.20 1jfl h VAL 155 Ca 0.03 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 1jfl h VAL 155 Cb 0.68 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1jfl h VAL 155 CO 0.04 0.09 0.12 0.24 0.02 0.00 0.00 177.57 178.08 1jfl h MET 156 N 0.48 0.41 -0.64 1.57 2.86 -1.16 -0.70 114.93 117.76 1jfl h MET 156 Ca 0.25 -0.07 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1jfl h MET 156 Cb 0.20 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.76 1jfl h MET 156 CO -0.20 0.42 0.26 -0.09 1.06 0.00 0.00 176.91 178.36 1jfl h ARG 157 N 0.31 0.95 -0.60 1.72 2.43 -0.55 -0.31 114.38 118.33 1jfl h ARG 157 Ca 0.09 -0.17 -0.07 0.00 -0.81 0.00 0.00 59.98 59.03 1jfl h ARG 157 Cb 0.15 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1jfl h ARG 157 CO -0.01 0.79 0.11 0.78 -1.51 0.00 0.00 179.97 180.13 1jfl h GLY 158 N 0.89 1.02 0.32 2.80 0.00 0.03 0.14 103.07 108.27 1jfl h GLY 158 Ca 0.21 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.90 1jfl h GLY 158 CO -0.02 0.59 -0.03 -2.22 0.00 0.00 0.00 176.54 174.86 1jfl h ILE 159 N 0.90 1.23 0.00 2.60 2.04 -0.86 0.16 117.51 123.58 1jfl h ILE 159 Ca 0.19 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.63 1jfl h ILE 159 Cb 0.38 2.10 0.00 0.00 -0.74 0.00 0.00 36.82 38.55 1jfl h ILE 159 CO 0.01 0.33 0.00 -1.22 0.00 0.00 0.00 178.15 177.27 1jfl n TYR 160 N -4.82 0.00 0.28 1.37 4.02 -0.15 -1.09 117.16 116.76 1jfl n TYR 160 Ca -0.08 0.00 0.14 0.00 -0.01 0.00 0.00 57.90 57.95 1jfl n TYR 160 Cb 0.30 -0.36 0.67 0.00 -0.02 0.00 0.00 39.34 39.92 1jfl n TYR 160 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 176.86 176.78 1jfl h GLU 161 N 0.00 0.00 0.00 -0.72 3.07 -1.55 -1.62 114.58 113.76 1jfl h GLU 161 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1jfl h GLU 161 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1jfl h GLU 161 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 1jfl n GLY 162 N -0.66 0.58 0.28 -3.84 0.00 0.43 -4.39 105.19 97.59 1jfl n GLY 162 Ca -0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1jfl n GLY 162 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jfl h VAL 163 N 0.00 0.00 -0.95 1.61 2.07 -0.65 0.16 116.25 118.49 1jfl h VAL 163 Ca 0.00 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.79 1jfl h VAL 163 Cb 0.00 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.73 1jfl h VAL 163 CO 0.00 0.00 0.68 0.50 0.02 0.00 0.00 177.57 178.77 1jfl h LYS 164 N -0.54 0.01 -0.01 1.57 3.64 -1.13 0.44 116.57 120.55 1jfl h LYS 164 Ca -0.03 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1jfl h LYS 164 Cb 0.48 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1jfl h LYS 164 CO -0.06 0.00 -0.04 0.00 -2.27 0.00 0.00 179.45 177.09 1jfl n ALA 165 N -2.72 2.68 -0.61 5.00 0.00 -0.61 -4.91 120.51 119.34 1jfl n ALA 165 Ca 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1jfl n ALA 165 Cb 1.01 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 19.14 1jfl n ALA 165 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jfl n GLY 166 N 1.15 0.71 3.25 0.00 0.00 0.16 -4.99 105.19 105.47 1jfl n GLY 166 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 1jfl n GLY 166 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jfl s ASN 167 N -2.14 6.70 0.17 1.61 0.01 0.53 -4.91 114.94 116.91 1jfl s ASN 167 Ca 0.00 -3.43 -0.14 0.00 -0.71 0.00 0.00 52.86 48.58 1jfl s ASN 167 Cb 0.00 -2.10 0.06 0.00 0.41 0.00 0.00 41.25 39.63 1jfl s ASN 167 CO 0.00 -0.31 1.79 -0.07 -1.51 0.00 0.00 177.10 177.00 1jfl h LEU 168 N 6.68 0.67 -0.69 0.60 3.38 -1.86 -2.57 115.31 121.52 1jfl h LEU 168 Ca 0.15 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.10 1jfl h LEU 168 Cb 0.89 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.41 1jfl h LEU 168 CO 0.90 0.55 0.39 0.50 0.09 0.00 0.00 178.44 180.87 1jfl h LYS 169 N 0.73 0.70 -0.39 1.13 3.64 -1.94 0.15 116.57 120.60 1jfl h LYS 169 Ca 0.19 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.43 1jfl h LYS 169 Cb 0.02 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 1jfl h LYS 169 CO -0.03 0.47 -0.16 1.25 -2.27 0.00 0.00 179.45 178.71 1jfl h LEU 170 N 0.73 0.71 -0.16 5.20 5.85 -1.91 -1.79 115.31 123.94 1jfl h LEU 170 Ca 0.31 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 1jfl h LEU 170 Cb 0.18 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.02 1jfl h LEU 170 CO -0.18 0.88 -0.25 1.23 -0.34 0.00 0.00 178.44 179.78 1jfl h GLY 171 N 0.98 0.49 1.36 3.75 0.00 -0.92 -2.60 103.07 106.13 1jfl h GLY 171 Ca 0.10 -0.55 -0.09 0.00 0.00 0.00 0.00 47.33 46.79 1jfl h GLY 171 CO 0.04 0.50 -0.11 -0.09 0.00 0.00 0.00 176.54 176.88 1jfl h ARG 172 N 0.08 0.76 -0.19 4.80 2.43 -0.71 -0.56 114.38 120.99 1jfl h ARG 172 Ca 0.01 -0.25 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 1jfl h ARG 172 Cb 0.83 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1jfl h ARG 172 CO 0.06 0.84 0.07 0.93 -1.51 0.00 0.00 179.97 180.35 1jfl h GLU 173 N 0.69 0.29 -0.35 0.20 5.08 -1.34 0.70 114.58 119.84 1jfl h GLU 173 Ca 0.12 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.25 1jfl h GLU 173 Cb 0.58 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1jfl h GLU 173 CO 0.04 0.38 -0.43 -0.07 -1.00 0.00 0.00 179.01 177.92 1jfl h LEU 174 N 0.14 0.97 0.05 1.33 3.38 -1.38 -2.98 115.31 116.82 1jfl h LEU 174 Ca 0.06 -0.47 -0.26 0.00 0.09 0.00 0.00 57.88 57.31 1jfl h LEU 174 Cb 0.21 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1jfl h LEU 174 CO -0.00 1.26 -1.17 -0.07 0.09 0.00 0.00 178.44 178.55 1jfl h LEU 175 N 0.72 0.41 -0.39 1.67 3.38 -1.08 -3.12 115.31 116.90 1jfl h LEU 175 Ca 0.05 -0.41 -0.19 0.00 0.09 0.00 0.00 57.88 57.42 1jfl h LEU 175 Cb 1.03 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.64 1jfl h LEU 175 CO 0.10 1.30 -0.72 0.25 0.09 0.00 0.00 178.44 179.46 1jfl h LEU 176 N 0.09 0.53 -0.75 1.67 5.85 -0.96 -2.13 115.31 119.62 1jfl h LEU 176 Ca -0.11 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.21 1jfl h LEU 176 Cb 1.88 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.72 1jfl h LEU 176 CO 0.19 1.08 0.27 0.50 -0.34 0.00 0.00 178.44 180.15 1jfl h LYS 177 N 0.30 1.13 -0.18 1.25 3.64 -1.62 -2.64 116.57 118.46 1jfl h LYS 177 Ca -0.03 -0.22 -0.17 0.00 -1.27 0.00 0.00 60.65 58.96 1jfl h LYS 177 Cb 1.30 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1jfl h LYS 177 CO 0.13 0.94 -0.58 1.15 -2.27 0.00 0.00 179.45 178.82 1jfl h THR 178 N 1.09 1.32 -0.45 1.00 2.02 -1.49 -2.97 112.91 113.43 1jfl h THR 178 Ca 0.25 -1.84 -0.01 0.00 0.77 0.00 0.00 66.41 65.58 1jfl h THR 178 Cb 0.25 1.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 1jfl h THR 178 CO -0.02 0.57 0.26 0.00 0.37 0.00 0.00 175.52 176.70 1jfl h ALA 179 N 0.93 0.58 -0.02 6.16 0.00 -1.14 -2.23 119.26 123.54 1jfl h ALA 179 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1jfl h ALA 179 Cb 1.14 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1jfl h ALA 179 CO 0.11 0.09 -0.43 0.87 0.00 0.00 0.00 179.25 179.88 1jfl h LYS 180 N 0.59 0.05 -0.39 0.00 1.57 -1.51 -2.29 116.57 114.58 1jfl h LYS 180 Ca 0.16 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1jfl h LYS 180 Cb 0.03 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1jfl h LYS 180 CO -0.03 0.47 0.15 0.82 -0.57 0.00 0.00 179.45 180.29 1jfl h ILE 181 N 0.04 1.20 -0.55 1.86 2.04 -1.30 0.57 117.51 121.37 1jfl h ILE 181 Ca 0.00 -0.64 -0.05 0.00 1.00 0.00 0.00 64.86 65.17 1jfl h ILE 181 Cb 0.79 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1jfl h ILE 181 CO 0.06 0.23 0.14 -0.07 0.00 0.00 0.00 178.15 178.50 1jfl h LEU 182 N 0.49 0.79 -0.54 1.44 3.38 -1.20 -1.98 115.31 117.69 1jfl h LEU 182 Ca 0.13 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1jfl h LEU 182 Cb 0.21 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1jfl h LEU 182 CO -0.01 0.78 0.13 -0.33 0.09 0.00 0.00 178.44 179.10 1jfl h GLU 183 N 0.82 0.86 -0.01 1.13 5.08 -0.94 -2.05 114.58 119.47 1jfl h GLU 183 Ca 0.18 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1jfl h GLU 183 Cb 0.29 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 1jfl h GLU 183 CO -0.00 0.82 0.01 0.93 -1.00 0.00 0.00 179.01 179.76 1jfl h GLU 184 N 0.76 0.00 -0.19 2.33 5.08 -0.30 -0.88 114.58 121.38 1jfl h GLU 184 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1jfl h GLU 184 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1jfl h GLU 184 CO 0.00 0.00 0.00 0.54 -1.00 0.00 0.00 179.01 178.55 1jfl n ARG 185 N -4.53 1.53 0.00 2.33 1.74 -0.80 -4.90 116.66 112.03 1jfl n ARG 185 Ca -0.03 -0.81 0.00 0.00 -0.77 0.00 0.00 57.85 56.25 1jfl n ARG 185 Cb 0.10 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.28 1jfl n ARG 185 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jfl n GLY 186 N 0.94 0.94 3.70 -0.13 0.00 -0.33 -5.06 105.19 105.25 1jfl n GLY 186 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1jfl n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfl s ALA 187 N -2.00 3.77 -0.68 4.61 0.00 -0.82 -4.87 121.76 121.76 1jfl s ALA 187 Ca 0.00 1.36 0.25 0.00 0.00 0.00 0.00 51.96 53.57 1jfl s ALA 187 Cb 0.00 -3.68 0.56 0.00 0.00 0.00 0.00 23.12 20.00 1jfl s ALA 187 CO 0.00 -0.98 1.53 0.39 0.00 0.00 0.00 175.76 176.70 1jfl n GLU 188 N 4.78 0.28 -3.50 0.00 1.02 -0.32 -4.71 120.64 118.20 1jfl n GLU 188 Ca 0.15 0.15 -0.13 0.00 -0.02 0.00 0.00 57.16 57.31 1jfl n GLU 188 Cb 0.39 -1.75 -0.04 0.00 -0.02 0.00 0.00 31.44 30.02 1jfl n GLU 188 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jfl s ILE 190 N -2.98 2.90 -0.34 0.00 -1.09 -0.19 -1.19 121.20 118.32 1jfl s ILE 190 Ca -0.02 -0.71 -0.15 0.00 -2.23 0.00 0.00 60.65 57.53 1jfl s ILE 190 Cb -0.00 -2.22 -0.01 0.00 -1.58 0.00 0.00 42.46 38.65 1jfl s ILE 190 CO -0.06 0.52 0.37 -0.63 -1.23 0.00 0.00 174.94 173.91 1jfl s ILE 191 N 0.47 5.16 -1.16 2.92 -1.09 0.70 -0.66 121.20 127.54 1jfl s ILE 191 Ca -0.10 0.09 -0.18 0.00 -2.23 0.00 0.00 60.65 58.24 1jfl s ILE 191 Cb -0.16 -3.83 0.11 0.00 -1.58 0.00 0.00 42.46 37.01 1jfl s ILE 191 CO 0.05 -0.09 1.48 0.00 -1.23 0.00 0.00 174.94 175.15 1jfl s ALA 192 N 2.05 3.46 0.65 9.38 0.00 0.26 -1.85 121.76 135.71 1jfl s ALA 192 Ca 0.12 -2.93 0.40 0.00 0.00 0.00 0.00 51.96 49.55 1jfl s ALA 192 Cb -0.16 -4.35 2.24 0.00 0.00 0.00 0.00 23.12 20.85 1jfl s ALA 192 CO 0.12 -3.12 2.32 0.78 0.00 0.00 0.00 175.76 175.86 1jfl h GLY 193 N 11.26 0.00 -4.34 0.00 0.00 -0.83 -3.37 103.07 105.78 1jfl h GLY 193 Ca 0.31 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.13 1jfl h GLY 193 CO 1.32 0.00 -0.81 0.00 0.00 0.00 0.00 176.54 177.05 1jfl h THR 195 N 4.19 1.12 -0.54 0.00 1.35 -1.99 -1.57 112.91 115.48 1jfl h THR 195 Ca -0.44 -0.44 0.16 0.00 -0.55 0.00 0.00 66.41 65.14 1jfl h THR 195 Cb 1.18 0.88 -0.02 0.00 -1.73 0.00 0.00 68.15 68.46 1jfl h THR 195 CO 0.40 0.16 0.39 -0.33 -0.25 0.00 0.00 175.52 175.89 1jfl h GLU 196 N 0.35 0.00 -0.35 4.72 3.07 -1.95 -1.35 114.58 119.06 1jfl h GLU 196 Ca 0.08 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.84 1jfl h GLU 196 Cb 0.15 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.05 1jfl h GLU 196 CO -0.00 0.00 -0.18 0.28 -1.40 0.00 0.00 179.01 177.71 1jfl h VAL 197 N 0.00 1.29 0.00 3.13 2.07 -1.65 -2.98 116.25 118.11 1jfl h VAL 197 Ca 0.26 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.46 1jfl h VAL 197 Cb 1.04 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 32.18 1jfl h VAL 197 CO -0.00 0.43 -0.07 0.28 0.02 0.00 0.00 177.57 178.23 1jfl h SER 198 N 0.53 0.00 0.64 0.57 0.02 -1.34 0.10 113.55 114.07 1jfl h SER 198 Ca 0.08 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1jfl h SER 198 Cb 0.73 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.27 1jfl h SER 198 CO 0.05 0.07 -0.31 0.58 -1.14 0.00 0.00 176.83 176.08 1jfl h VAL 199 N 0.00 0.17 0.00 2.27 2.07 -1.34 -3.34 116.25 116.08 1jfl h VAL 199 Ca -0.00 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1jfl h VAL 199 Cb 0.48 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 30.48 1jfl h VAL 199 CO 0.01 0.02 -0.76 1.33 0.02 0.00 0.00 177.57 178.19 1jfl n VAL 200 N -5.37 0.29 -4.36 2.57 0.24 -1.21 -4.84 118.33 105.65 1jfl n VAL 200 Ca -0.12 -0.26 -0.34 0.00 -2.04 0.00 0.00 64.34 61.58 1jfl n VAL 200 Cb 0.36 -0.02 -0.14 0.00 -1.47 0.00 0.00 33.84 32.57 1jfl n VAL 200 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1jfl s LEU 201 N -4.13 2.71 0.25 1.34 0.20 0.02 -4.84 118.68 114.23 1jfl s LEU 201 Ca 0.05 -0.39 0.12 0.00 0.69 0.00 0.00 54.13 54.60 1jfl s LEU 201 Cb 0.14 -1.64 -0.05 0.00 -0.43 0.00 0.00 46.19 44.20 1jfl s LEU 201 CO 0.75 0.07 -0.21 -0.54 -0.29 0.00 0.00 176.35 176.13 1jfl s LYS 202 N 0.90 1.64 0.61 1.98 1.02 -1.26 -4.35 119.74 120.28 1jfl s LYS 202 Ca -0.02 -1.68 0.30 0.00 0.02 0.00 0.00 55.97 54.58 1jfl s LYS 202 Cb -0.15 -1.80 1.64 0.00 -0.52 0.00 0.00 37.83 37.00 1jfl s LYS 202 CO -0.00 0.35 2.03 0.37 -0.92 0.00 0.00 175.35 177.18 1jfl h GLN 203 N 2.56 0.00 0.00 1.68 5.75 -1.96 0.52 115.11 123.67 1jfl h GLN 203 Ca -0.42 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 1jfl h GLN 203 Cb 1.24 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.79 1jfl h GLN 203 CO 0.56 0.00 0.00 -0.25 -2.65 0.00 0.00 178.83 176.49 1jfl n ASP 204 N -3.59 0.00 -0.55 -0.69 8.00 -1.26 -2.71 116.55 115.75 1jfl n ASP 204 Ca 0.03 0.46 0.12 0.00 0.71 0.00 0.00 54.79 56.10 1jfl n ASP 204 Cb 0.42 -0.48 0.20 0.00 -0.02 0.00 0.00 41.12 41.24 1jfl n ASP 204 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1jfl n ASP 205 N -1.48 1.94 -4.22 -2.24 8.00 0.18 -4.95 116.55 113.77 1jfl n ASP 205 Ca 0.06 -1.49 -0.19 0.00 0.71 0.00 0.00 54.79 53.88 1jfl n ASP 205 Cb 0.25 0.20 -0.12 0.00 -0.02 0.00 0.00 41.12 41.44 1jfl n ASP 205 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1jfl s LEU 206 N -2.29 2.35 0.00 0.64 1.43 -1.10 -4.97 118.68 114.74 1jfl s LEU 206 Ca 0.25 -0.73 0.24 0.00 -1.03 0.00 0.00 54.13 52.87 1jfl s LEU 206 Cb 0.19 -0.58 0.37 0.00 0.03 0.00 0.00 46.19 46.20 1jfl s LEU 206 CO 0.45 -0.10 1.32 0.29 0.23 0.00 0.00 176.35 178.55 1jfl n LYS 207 N 0.86 0.58 -4.40 1.70 5.02 -1.26 -4.91 118.16 115.75 1jfl n LYS 207 Ca -0.18 -0.41 -0.26 0.00 -2.02 0.00 0.00 58.31 55.45 1jfl n LYS 207 Cb 0.56 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 1jfl n LYS 207 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1jfl s VAL 208 N -2.70 2.65 0.26 -0.18 -7.23 -1.26 -5.10 120.40 106.85 1jfl s VAL 208 Ca 0.17 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 57.98 1jfl s VAL 208 Cb 0.18 -2.33 -0.14 0.00 0.56 0.00 0.00 36.38 34.65 1jfl s VAL 208 CO 0.63 -0.23 1.19 -2.65 -0.31 0.00 0.00 175.10 173.74 1jfl n PRO 209 N -0.15 1.61 -3.76 4.82 -0.02 -1.26 -4.70 135.00 131.55 1jfl n PRO 209 Ca -0.09 0.57 -0.36 0.00 -2.02 0.00 0.00 63.50 61.59 1jfl n PRO 209 Cb 0.57 -2.08 -0.12 0.00 -0.02 0.00 0.00 33.50 31.85 1jfl n PRO 209 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jfl s LEU 210 N 0.16 3.51 -0.16 2.45 2.96 -1.26 -1.02 118.68 125.33 1jfl s LEU 210 Ca 0.64 -0.17 -0.00 0.00 -0.22 0.00 0.00 54.13 54.37 1jfl s LEU 210 Cb -0.70 -1.94 -0.00 0.00 0.50 0.00 0.00 46.19 44.05 1jfl s LEU 210 CO 0.56 -0.02 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.79 1jfl s ILE 211 N 1.54 2.72 -0.34 6.68 1.01 0.16 -4.97 121.20 128.00 1jfl s ILE 211 Ca 0.06 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 59.89 1jfl s ILE 211 Cb -0.15 -2.16 0.03 0.00 0.01 0.00 0.00 42.46 40.20 1jfl s ILE 211 CO 0.04 0.51 0.13 -0.62 0.00 0.00 0.00 174.94 175.00 1jfl s ASP 212 N 0.89 5.40 0.46 3.58 -1.08 -1.26 -0.57 116.67 124.08 1jfl s ASP 212 Ca -0.04 -1.08 0.21 0.00 -0.52 0.00 0.00 52.55 51.13 1jfl s ASP 212 Cb -0.15 -1.91 1.20 0.00 -1.46 0.00 0.00 42.92 40.60 1jfl s ASP 212 CO -0.01 -0.33 1.88 -0.65 0.52 0.00 0.00 175.17 176.58 1jfl h PRO 213 N 8.27 0.27 -0.17 4.34 0.11 -1.94 0.18 132.00 143.06 1jfl h PRO 213 Ca -0.24 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 65.74 1jfl h PRO 213 Cb 1.09 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 1jfl h PRO 213 CO 0.62 0.18 -0.38 1.98 -0.21 0.00 0.00 178.00 180.19 1jfl h MET 214 N 0.28 0.37 -0.31 1.05 4.05 -1.93 -0.99 114.93 117.45 1jfl h MET 214 Ca 0.43 -0.17 -0.16 0.00 -0.28 0.00 0.00 59.70 59.52 1jfl h MET 214 Cb 1.25 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 32.04 1jfl h MET 214 CO -0.12 0.70 -0.44 -0.44 0.23 0.00 0.00 176.91 176.84 1jfl h ASP 215 N 0.31 0.84 0.12 1.39 3.32 -1.41 -1.56 116.42 119.43 1jfl h ASP 215 Ca 0.03 -0.40 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 1jfl h ASP 215 Cb 0.81 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1jfl h ASP 215 CO 0.06 1.16 -0.06 0.58 -1.72 0.00 0.00 179.24 179.27 1jfl h VAL 216 N 0.63 0.95 -0.29 -1.35 2.07 -0.98 -1.08 116.25 116.20 1jfl h VAL 216 Ca 0.04 -0.25 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 1jfl h VAL 216 Cb 1.01 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 1jfl h VAL 216 CO 0.10 0.06 -0.19 -0.29 0.02 0.00 0.00 177.57 177.27 1jfl h ILE 217 N -0.27 1.25 -0.71 4.57 6.09 -1.20 -0.90 117.51 126.34 1jfl h ILE 217 Ca -0.02 -1.17 -0.07 0.00 -1.37 0.00 0.00 64.86 62.23 1jfl h ILE 217 Cb 0.22 1.24 -0.03 0.00 0.47 0.00 0.00 36.82 38.72 1jfl h ILE 217 CO 0.03 0.38 0.18 0.00 -3.07 0.00 0.00 178.15 175.66 1jfl h ALA 218 N 1.33 0.97 -0.39 0.18 0.00 -1.16 0.07 119.26 120.26 1jfl h ALA 218 Ca 0.08 -0.25 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 1jfl h ALA 218 Cb 0.60 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1jfl h ALA 218 CO 0.04 0.67 -0.32 0.93 0.00 0.00 0.00 179.25 180.57 1jfl h GLU 219 N 1.07 0.90 -0.37 0.00 5.08 -0.83 -1.85 114.58 118.59 1jfl h GLU 219 Ca 0.22 -0.45 -0.05 0.00 -1.00 0.00 0.00 59.36 58.08 1jfl h GLU 219 Cb 0.37 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1jfl h GLU 219 CO 0.00 1.10 0.03 0.28 -1.00 0.00 0.00 179.01 179.42 1jfl h VAL 220 N 0.71 1.25 -0.74 3.13 2.07 -0.95 -1.86 116.25 119.87 1jfl h VAL 220 Ca 0.07 -0.92 0.00 0.00 0.82 0.00 0.00 66.70 66.67 1jfl h VAL 220 Cb 0.90 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1jfl h VAL 220 CO 0.08 0.31 0.46 0.00 0.02 0.00 0.00 177.57 178.44 1jfl h ALA 221 N 0.89 0.94 -0.23 1.67 0.00 -0.94 -0.96 119.26 120.63 1jfl h ALA 221 Ca 0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1jfl h ALA 221 Cb 0.41 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1jfl h ALA 221 CO 0.01 0.39 0.11 0.28 0.00 0.00 0.00 179.25 180.04 1jfl h VAL 222 N 1.00 1.15 -0.19 0.00 2.07 -1.23 -0.81 116.25 118.24 1jfl h VAL 222 Ca 0.27 -0.42 0.03 0.00 0.82 0.00 0.00 66.70 67.39 1jfl h VAL 222 Cb -0.07 1.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 1jfl h VAL 222 CO -0.05 0.14 0.03 0.50 0.02 0.00 0.00 177.57 178.21 1jfl h LYS 223 N 0.24 0.11 -0.74 1.57 3.64 -1.00 -1.20 116.57 119.19 1jfl h LYS 223 Ca 0.08 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 1jfl h LYS 223 Cb 0.13 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1jfl h LYS 223 CO -0.01 0.07 0.25 0.28 -2.27 0.00 0.00 179.45 177.77 1jfl h VAL 224 N 0.11 1.26 -0.26 2.00 2.07 -1.11 0.71 116.25 121.03 1jfl h VAL 224 Ca 0.09 -0.88 -0.08 0.00 0.82 0.00 0.00 66.70 66.64 1jfl h VAL 224 Cb 0.08 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1jfl h VAL 224 CO -0.12 0.35 -0.20 0.00 0.02 0.00 0.00 177.57 177.62 1jfl h ALA 225 N 1.13 1.17 0.00 1.67 0.00 -0.83 -2.72 119.26 119.67 1jfl h ALA 225 Ca 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jfl h ALA 225 Cb 0.29 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1jfl h ALA 225 CO -0.01 0.53 -1.63 1.28 0.00 0.00 0.00 179.25 179.42 1jfl n LEU 226 N -4.16 0.32 -0.50 0.00 4.77 -0.48 -1.87 117.00 115.08 1jfl n LEU 226 Ca -0.00 0.12 0.06 0.00 -0.03 0.00 0.00 56.01 56.16 1jfl n LEU 226 Cb 0.37 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.50 1jfl n LEU 226 CO 0.41 -0.07 0.46 -0.62 -1.33 0.00 0.00 177.39 176.25 1jfl n GLU 227 N -2.40 0.92 0.00 3.23 1.02 0.23 -4.81 120.64 118.82 1jfl n GLU 227 Ca -0.02 -1.32 0.00 0.00 -0.02 0.00 0.00 57.16 55.80 1jfl n GLU 227 Cb 0.56 -1.24 0.00 0.00 -0.02 0.00 0.00 31.44 30.74 1jfl n GLU 227 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94