#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 3.12 -0.25 2.12 1.02 0.83 -5.04 119.74 121.54 1jfl s LYS 2 Ca 0.00 -0.59 -0.20 0.00 0.02 0.00 0.00 55.97 55.19 1jfl s LYS 2 Cb 0.00 -2.86 -0.02 0.00 -0.52 0.00 0.00 37.83 34.44 1jfl s LYS 2 CO 0.00 0.58 0.63 0.99 -0.92 0.00 0.00 175.35 176.63 1jfl s THR 3 N -1.46 4.99 -0.10 2.17 2.01 -1.26 -4.36 115.64 117.63 1jfl s THR 3 Ca 0.32 1.14 -0.30 0.00 0.31 0.00 0.00 61.69 63.16 1jfl s THR 3 Cb -0.12 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.44 1jfl s THR 3 CO 0.25 0.03 1.03 -0.63 -0.69 0.00 0.00 174.62 174.61 1jfl s ILE 4 N 2.48 4.72 -0.14 1.82 1.01 -0.39 -1.04 121.20 129.66 1jfl s ILE 4 Ca 0.26 1.99 -0.05 0.00 0.00 0.00 0.00 60.65 62.86 1jfl s ILE 4 Cb -0.15 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.00 1jfl s ILE 4 CO 0.08 0.00 0.02 -0.83 0.00 0.00 0.00 174.94 174.22 1jfl s GLY 5 N 1.14 1.86 -0.22 6.18 0.00 -0.37 -0.39 107.32 115.52 1jfl s GLY 5 Ca 0.49 -0.77 0.01 0.00 0.00 0.00 0.00 44.72 44.45 1jfl s GLY 5 CO 0.18 -0.21 -0.14 -0.42 0.00 0.00 0.00 173.10 172.51 1jfl s ILE 6 N -0.15 2.28 -0.74 0.90 1.01 0.04 -1.42 121.20 123.12 1jfl s ILE 6 Ca 0.06 -1.22 -0.22 0.00 0.00 0.00 0.00 60.65 59.27 1jfl s ILE 6 Cb -0.12 -2.15 0.08 0.00 0.01 0.00 0.00 42.46 40.28 1jfl s ILE 6 CO 0.02 0.26 1.04 -0.22 0.00 0.00 0.00 174.94 176.03 1jfl s LEU 7 N 1.23 4.45 0.00 2.97 0.20 -0.60 -1.58 118.68 125.34 1jfl s LEU 7 Ca -0.01 -1.23 0.00 0.00 0.69 0.00 0.00 54.13 53.58 1jfl s LEU 7 Cb -0.16 -2.43 0.00 0.00 -0.43 0.00 0.00 46.19 43.17 1jfl s LEU 7 CO -0.08 -1.38 0.00 0.61 -0.29 0.00 0.00 176.35 175.21 1jfl n GLY 8 N 5.45 4.97 0.00 7.98 0.00 -0.53 -4.18 105.19 118.88 1jfl n GLY 8 Ca 0.04 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 0.79 2.43 -0.02 0.00 -1.26 -1.90 105.19 110.24 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 -1.86 2.17 -2.91 1.61 2.00 -1.26 -3.73 117.12 113.15 1jfl n MET 10 Ca 0.00 -4.33 -0.18 0.00 0.00 0.00 0.00 57.70 53.19 1jfl n MET 10 Cb 0.00 -2.01 0.03 0.00 0.00 0.00 0.00 33.22 31.24 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 0.79 2.36 0.26 3.03 0.00 -1.26 -4.29 105.19 106.07 1jfl n GLY 11 Ca 0.28 -2.24 0.04 0.00 0.00 0.00 0.00 46.02 44.10 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 0.33 -0.71 1.61 0.11 -1.95 -2.16 132.00 129.22 1jfl h PRO 12 Ca -0.24 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.80 1jfl h PRO 12 Cb 0.99 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.99 1jfl h PRO 12 CO 0.36 0.22 0.25 1.25 -0.21 0.00 0.00 178.00 179.87 1jfl h LEU 13 N 0.34 1.02 -1.10 2.35 5.85 -1.97 -1.59 115.31 120.21 1jfl h LEU 13 Ca 0.38 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.84 1jfl h LEU 13 Cb 0.59 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1jfl h LEU 13 CO -0.43 0.94 -0.03 0.00 -0.34 0.00 0.00 178.44 178.58 1jfl h ALA 14 N 1.12 1.26 -0.33 1.25 0.00 -1.78 -1.28 119.26 119.50 1jfl h ALA 14 Ca 0.23 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1jfl h ALA 14 Cb 0.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1jfl h ALA 14 CO -0.01 0.49 0.04 1.15 0.00 0.00 0.00 179.25 180.92 1jfl h THR 15 N 0.56 1.24 -0.49 0.00 2.02 -0.90 -1.36 112.91 113.98 1jfl h THR 15 Ca 0.11 -0.84 -0.05 0.00 0.77 0.00 0.00 66.41 66.40 1jfl h THR 15 Cb 0.41 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 1jfl h THR 15 CO 0.02 0.28 0.10 0.00 0.37 0.00 0.00 175.52 176.28 1jfl h ALA 16 N 0.88 1.25 -0.38 6.16 0.00 -0.97 -2.47 119.26 123.74 1jfl h ALA 16 Ca 0.10 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1jfl h ALA 16 Cb 0.37 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1jfl h ALA 16 CO 0.01 0.52 -0.35 1.49 0.00 0.00 0.00 179.25 180.92 1jfl h GLU 17 N 0.73 0.87 -0.63 0.00 4.57 -1.00 -1.75 114.58 117.37 1jfl h GLU 17 Ca 0.16 -0.43 -0.02 0.00 -1.18 0.00 0.00 59.36 57.89 1jfl h GLU 17 Cb 0.30 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.87 1jfl h GLU 17 CO 0.00 1.08 0.33 1.25 -1.18 0.00 0.00 179.01 180.49 1jfl h LEU 18 N 0.72 0.80 -0.14 1.64 5.85 -1.04 -1.43 115.31 121.71 1jfl h LEU 18 Ca 0.07 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.68 1jfl h LEU 18 Cb 0.92 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1jfl h LEU 18 CO 0.08 0.68 0.09 0.15 -0.34 0.00 0.00 178.44 179.10 1jfl h PHE 19 N 0.86 0.19 -0.94 1.25 -0.00 -1.29 -1.83 116.94 115.18 1jfl h PHE 19 Ca 0.22 0.00 0.05 0.00 -0.00 0.00 0.00 57.97 58.24 1jfl h PHE 19 Cb 0.07 -0.06 -0.06 0.00 -0.00 0.00 0.00 35.95 35.90 1jfl h PHE 19 CO -0.01 0.16 0.60 -0.09 -0.00 0.00 0.00 178.31 178.97 1jfl h ARG 20 N 0.17 1.09 -0.23 1.11 2.43 -1.02 -1.94 114.38 115.98 1jfl h ARG 20 Ca 0.05 -0.07 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1jfl h ARG 20 Cb 0.02 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.31 1jfl h ARG 20 CO -0.01 0.72 -0.26 0.00 -1.51 0.00 0.00 179.97 178.91 1jfl h ARG 21 N 1.12 0.44 -0.51 0.20 3.08 -0.94 0.16 114.38 117.93 1jfl h ARG 21 Ca 0.39 -0.17 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 1jfl h ARG 21 Cb 0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 1jfl h ARG 21 CO -0.15 0.67 0.21 0.82 -1.07 0.00 0.00 179.97 180.44 1jfl h ILE 22 N 0.39 1.21 -0.32 2.04 2.04 -0.61 0.75 117.51 123.01 1jfl h ILE 22 Ca 0.06 -0.66 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 1jfl h ILE 22 Cb 0.67 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 1jfl h ILE 22 CO 0.05 0.25 0.10 0.58 0.00 0.00 0.00 178.15 179.13 1jfl h VAL 23 N 0.68 1.20 -0.73 1.67 2.07 -1.01 -2.45 116.25 117.68 1jfl h VAL 23 Ca 0.17 -0.66 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1jfl h VAL 23 Cb 0.19 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1jfl h VAL 23 CO -0.01 0.22 0.46 0.40 0.02 0.00 0.00 177.57 178.66 1jfl h ILE 24 N 0.36 1.20 -0.41 4.57 1.08 -0.70 -2.45 117.51 121.16 1jfl h ILE 24 Ca 0.10 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 1jfl h ILE 24 Cb 0.25 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.13 1jfl h ILE 24 CO -0.00 0.20 0.00 0.29 -0.69 0.00 0.00 178.15 177.94 1jfl n LYS 25 N -4.41 2.53 -3.59 2.37 5.02 0.23 -4.86 118.16 115.46 1jfl n LYS 25 Ca 0.08 -1.71 -0.38 0.00 -2.02 0.00 0.00 58.31 54.28 1jfl n LYS 25 Cb 0.05 -1.58 -0.11 0.00 -0.02 0.00 0.00 35.03 33.37 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 -1.66 5.31 -0.21 -0.18 2.01 -0.93 -4.96 115.64 115.03 1jfl s THR 26 Ca 0.31 0.18 -0.29 0.00 0.31 0.00 0.00 61.69 62.20 1jfl s THR 26 Cb 0.19 -3.53 0.00 0.00 0.01 0.00 0.00 72.50 69.17 1jfl s THR 26 CO 0.16 0.25 1.07 -2.16 -0.69 0.00 0.00 174.62 173.25 1jfl s PRO 27 N 1.76 4.27 -0.14 4.92 0.04 -1.26 -5.00 135.00 139.59 1jfl s PRO 27 Ca 0.07 1.41 -0.27 0.00 0.04 0.00 0.00 61.00 62.24 1jfl s PRO 27 Cb -0.16 -3.64 0.07 0.00 0.04 0.00 0.00 34.50 30.80 1jfl s PRO 27 CO 0.11 -0.61 0.67 0.00 0.04 0.00 0.00 177.00 177.21 1jfl s ALA 28 N 3.11 -1.71 -0.67 8.56 0.00 -1.26 -4.89 121.76 124.90 1jfl s ALA 28 Ca 0.46 1.55 0.23 0.00 0.00 0.00 0.00 51.96 54.20 1jfl s ALA 28 Cb -0.16 -0.47 0.06 0.00 0.00 0.00 0.00 23.12 22.55 1jfl s ALA 28 CO 0.08 -0.35 1.05 1.63 0.00 0.00 0.00 175.76 178.17 1jfl n LYS 29 N 1.67 0.24 -3.46 0.00 4.76 -1.26 -4.96 118.16 115.15 1jfl n LYS 29 Ca -0.17 -0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.15 1jfl n LYS 29 Cb 0.56 -1.58 -0.03 0.00 -1.84 0.00 0.00 35.03 32.15 1jfl n LYS 29 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 1jfl s ARG 30 N -3.17 1.24 0.21 1.97 1.70 -1.26 -5.06 118.95 114.57 1jfl s ARG 30 Ca 0.05 -0.52 -0.13 0.00 -0.47 0.00 0.00 55.73 54.66 1jfl s ARG 30 Cb 0.15 0.56 0.24 0.00 -0.57 0.00 0.00 34.95 35.33 1jfl s ARG 30 CO 0.80 -0.53 1.64 -0.44 -1.08 0.00 0.00 175.30 175.69 1jfl h ASP 31 N 2.08 -0.46 0.00 -2.89 3.45 -1.99 -1.61 116.42 115.00 1jfl h ASP 31 Ca -0.34 0.17 0.00 0.00 0.43 0.00 0.00 57.03 57.29 1jfl h ASP 31 Cb 1.30 0.34 0.00 0.00 -0.56 0.00 0.00 39.33 40.41 1jfl h ASP 31 CO 0.40 -0.17 0.09 0.00 -1.57 0.00 0.00 179.24 177.98 1jfl n GLN 32 N -5.37 0.00 0.00 3.56 3.00 -1.26 -0.94 117.38 116.37 1jfl n GLN 32 Ca 0.07 0.38 0.11 0.00 -0.01 0.00 0.00 57.00 57.55 1jfl n GLN 32 Cb 0.33 -1.59 0.10 0.00 0.00 0.00 0.00 30.24 29.08 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 -1.37 0.31 -2.62 -1.09 1.02 -0.61 -4.92 120.64 111.36 1jfl n GLU 33 Ca 0.00 -0.22 -0.36 0.00 -0.02 0.00 0.00 57.16 56.56 1jfl n GLU 33 Cb 0.09 -1.50 -0.05 0.00 -0.02 0.00 0.00 31.44 29.96 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 -2.85 3.31 0.58 -0.32 3.76 -0.11 -4.94 115.29 114.73 1jfl s HIS 34 Ca 0.13 1.65 -0.16 0.00 -0.15 0.00 0.00 55.06 56.54 1jfl s HIS 34 Cb 0.17 -3.05 -0.04 0.00 1.11 0.00 0.00 32.58 30.77 1jfl s HIS 34 CO 0.72 -0.44 1.05 -1.25 -0.85 0.00 0.00 174.74 173.96 1jfl s PRO 35 N -2.60 3.38 0.37 8.40 0.04 -1.26 -5.02 135.00 138.31 1jfl s PRO 35 Ca 0.58 1.19 -0.26 0.00 0.04 0.00 0.00 61.00 62.55 1jfl s PRO 35 Cb -0.19 -2.04 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 1jfl s PRO 35 CO 0.24 -0.76 1.11 0.15 0.04 0.00 0.00 177.00 177.78 1jfl s LYS 36 N -4.06 4.26 -0.04 4.56 1.02 -1.26 -4.95 119.74 119.27 1jfl s LYS 36 Ca 0.63 1.73 0.01 0.00 0.02 0.00 0.00 55.97 58.36 1jfl s LYS 36 Cb -0.16 -2.78 0.02 0.00 -0.52 0.00 0.00 37.83 34.40 1jfl s LYS 36 CO 0.36 -0.11 -0.02 0.08 -0.92 0.00 0.00 175.35 174.74 1jfl s VAL 37 N -1.42 0.38 -0.19 3.17 1.01 -1.26 -1.26 120.40 120.84 1jfl s VAL 37 Ca 0.54 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.48 1jfl s VAL 37 Cb -0.28 -0.44 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 1jfl s VAL 37 CO 0.36 0.20 -0.11 -0.63 0.00 0.00 0.00 175.10 174.92 1jfl s ILE 38 N 1.03 2.92 -0.19 2.22 1.01 0.48 -4.96 121.20 123.70 1jfl s ILE 38 Ca -0.10 -0.66 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 1jfl s ILE 38 Cb -0.14 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.06 1jfl s ILE 38 CO -0.01 0.48 -0.13 -0.63 0.00 0.00 0.00 174.94 174.65 1jfl s ILE 39 N 1.18 2.67 -0.52 2.92 1.01 -1.26 -0.78 121.20 126.42 1jfl s ILE 39 Ca 0.02 -0.73 -0.08 0.00 0.00 0.00 0.00 60.65 59.86 1jfl s ILE 39 Cb -0.14 -2.17 0.13 0.00 0.01 0.00 0.00 42.46 40.29 1jfl s ILE 39 CO -0.04 0.49 0.38 0.12 0.00 0.00 0.00 174.94 175.89 1jfl s PHE 40 N 1.33 3.48 -0.58 3.97 2.19 -0.62 -4.98 117.98 122.77 1jfl s PHE 40 Ca 0.04 -2.11 -0.23 0.00 0.33 0.00 0.00 56.93 54.97 1jfl s PHE 40 Cb -0.14 -3.44 0.06 0.00 -1.31 0.00 0.00 43.02 38.19 1jfl s PHE 40 CO -0.08 -0.97 0.89 1.21 1.83 0.00 0.00 175.22 178.11 1jfl s ASN 41 N 2.16 6.26 -0.56 6.13 3.84 -1.26 -1.45 114.94 130.06 1jfl s ASN 41 Ca 0.09 -0.68 0.04 0.00 0.21 0.00 0.00 52.86 52.52 1jfl s ASN 41 Cb -0.23 -2.40 0.14 0.00 -0.55 0.00 0.00 41.25 38.20 1jfl s ASN 41 CO -0.02 -1.24 0.31 0.21 -2.79 0.00 0.00 177.10 173.57 1jfl s ASN 42 N 3.12 4.38 0.37 -4.21 2.47 -0.80 -4.80 114.94 115.47 1jfl s ASN 42 Ca 0.25 -3.20 0.26 0.00 0.42 0.00 0.00 52.86 50.59 1jfl s ASN 42 Cb -0.15 -1.60 1.30 0.00 -1.45 0.00 0.00 41.25 39.35 1jfl s ASN 42 CO 0.15 -0.20 1.80 -0.65 -3.72 0.00 0.00 177.10 174.48 1jfl h PRO 43 N 6.24 0.00 0.00 0.43 0.11 -1.80 -3.00 132.00 133.98 1jfl h PRO 43 Ca -0.02 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1jfl h PRO 43 Cb 0.86 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.97 1jfl h PRO 43 CO 0.68 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.51 1jfl n GLN 44 N -2.44 0.36 -1.82 1.05 3.00 -1.26 -4.81 117.38 111.46 1jfl n GLN 44 Ca -0.00 0.06 -0.42 0.00 -0.01 0.00 0.00 57.00 56.63 1jfl n GLN 44 Cb 0.13 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 28.84 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 -2.54 2.24 0.28 5.09 1.01 -1.13 -4.88 121.20 121.25 1jfl s ILE 45 Ca 0.23 0.18 -0.29 0.00 0.00 0.00 0.00 60.65 60.77 1jfl s ILE 45 Cb 0.16 -3.12 -0.14 0.00 0.01 0.00 0.00 42.46 39.38 1jfl s ILE 45 CO 0.36 0.02 1.15 -2.65 0.00 0.00 0.00 174.94 173.81 1jfl n PRO 46 N 3.37 1.59 -1.62 2.79 -0.02 -1.26 -4.83 135.00 135.02 1jfl n PRO 46 Ca 0.13 0.56 -0.53 0.00 -2.02 0.00 0.00 63.50 61.63 1jfl n PRO 46 Cb 0.37 -2.03 -0.06 0.00 -0.02 0.00 0.00 33.50 31.76 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 1.36 1.80 0.04 2.55 -0.08 -1.26 -4.68 116.55 116.27 1jfl n ASP 47 Ca 0.09 1.11 -0.11 0.00 -1.51 0.00 0.00 54.79 54.37 1jfl n ASP 47 Cb 0.32 -1.18 -0.08 0.00 2.34 0.00 0.00 41.12 42.52 1jfl n ASP 47 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 1jfl h ARG 48 N 5.14 -0.16 -0.45 -0.67 -0.00 -1.93 -3.20 114.38 113.12 1jfl h ARG 48 Ca -0.47 0.01 0.09 0.00 -0.50 0.00 0.00 59.98 59.10 1jfl h ARG 48 Cb 1.33 0.04 -0.08 0.00 0.00 0.00 0.00 29.97 31.26 1jfl h ARG 48 CO 0.82 0.31 -0.06 1.15 0.00 0.00 0.00 179.97 182.18 1jfl h THR 49 N -0.80 0.59 -0.67 2.04 2.02 -1.93 -0.23 112.91 113.93 1jfl h THR 49 Ca -0.02 -0.02 0.14 0.00 0.77 0.00 0.00 66.41 67.29 1jfl h THR 49 Cb 0.55 0.54 -0.10 0.00 -1.74 0.00 0.00 68.15 67.40 1jfl h THR 49 CO 0.03 0.01 0.12 0.00 0.37 0.00 0.00 175.52 176.05 1jfl h ALA 50 N 1.43 0.81 -0.52 6.16 0.00 -1.92 0.28 119.26 125.49 1jfl h ALA 50 Ca 0.22 0.16 -0.12 0.00 0.00 0.00 0.00 54.91 55.17 1jfl h ALA 50 Cb 0.33 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1jfl h ALA 50 CO -0.42 -0.34 -0.16 -0.92 0.00 0.00 0.00 179.25 177.41 1jfl h TYR 51 N 0.23 1.15 0.57 0.00 3.20 -1.30 0.29 116.97 121.11 1jfl h TYR 51 Ca 0.37 -0.26 -0.02 0.00 3.14 0.00 0.00 58.73 61.96 1jfl h TYR 51 Cb 0.60 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.59 1jfl h TYR 51 CO -0.28 1.08 -0.33 0.82 -1.64 0.00 0.00 178.16 177.81 1jfl h ILE 52 N 0.89 0.32 0.00 1.81 1.08 0.77 -1.24 117.51 121.13 1jfl h ILE 52 Ca 0.13 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.60 1jfl h ILE 52 Cb 0.73 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.80 1jfl h ILE 52 CO 0.06 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.70 1jfl n LEU 53 N -5.47 0.00 -0.04 1.44 4.77 0.77 -4.84 117.00 113.63 1jfl n LEU 53 Ca -0.12 0.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.85 1jfl n LEU 53 Cb 0.37 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1jfl n LEU 53 CO 0.35 0.00 -0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1jfl n GLY 54 N -0.23 0.47 1.39 -0.72 0.00 -0.47 -4.93 105.19 100.70 1jfl n GLY 54 Ca 0.08 -0.21 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 1jfl n GLY 54 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1jfl n LYS 55 N -2.62 2.33 -3.73 1.61 0.00 0.96 -4.97 118.16 111.74 1jfl n LYS 55 Ca -0.01 -3.48 -0.09 0.00 -0.00 0.00 0.00 58.31 54.73 1jfl n LYS 55 Cb 0.06 -1.94 -0.02 0.00 -0.00 0.00 0.00 35.03 33.12 1jfl n LYS 55 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1jfl s GLY 56 N -2.89 -0.20 0.72 2.58 0.00 -0.95 -4.79 107.32 101.79 1jfl s GLY 56 Ca 0.47 -0.11 -0.11 0.00 0.00 0.00 0.00 44.72 44.97 1jfl s GLY 56 CO -0.01 -0.08 1.08 -1.83 0.00 0.00 0.00 173.10 172.27 1jfl s GLU 57 N -3.87 2.72 0.06 2.90 -1.05 -1.26 -4.33 118.70 113.87 1jfl s GLU 57 Ca 0.09 0.69 -0.30 0.00 -0.15 0.00 0.00 54.97 55.29 1jfl s GLU 57 Cb -0.04 -1.99 -0.08 0.00 -0.44 0.00 0.00 34.13 31.59 1jfl s GLU 57 CO 0.00 -1.18 1.70 0.34 0.95 0.00 0.00 175.26 177.07 1jfl s ASP 58 N -4.03 6.58 0.00 0.83 -1.08 -1.26 -4.53 116.67 113.17 1jfl s ASP 58 Ca 0.59 2.50 0.26 0.00 -0.52 0.00 0.00 52.55 55.38 1jfl s ASP 58 Cb -0.13 -2.56 0.70 0.00 -1.46 0.00 0.00 42.92 39.47 1jfl s ASP 58 CO 0.54 -0.92 1.53 -0.81 0.52 0.00 0.00 175.17 176.03 1jfl n PRO 59 N 6.00 0.68 -0.11 4.34 -0.04 -1.26 -4.44 135.00 140.16 1jfl n PRO 59 Ca 0.17 -0.40 -0.07 0.00 -0.04 0.00 0.00 63.50 63.16 1jfl n PRO 59 Cb 0.41 -1.49 0.01 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.97 0.37 -0.53 0.54 3.08 -1.94 -1.22 114.38 115.65 1jfl h ARG 60 Ca 0.00 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.12 1jfl h ARG 60 Cb 0.51 -0.08 -0.08 0.00 0.08 0.00 0.00 29.97 30.40 1jfl h ARG 60 CO 0.00 0.25 0.10 -1.35 -1.07 0.00 0.00 179.97 177.90 1jfl h PRO 61 N 0.38 0.23 0.00 0.04 0.11 -2.00 0.25 132.00 131.01 1jfl h PRO 61 Ca 0.16 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.19 1jfl h PRO 61 Cb 0.07 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.12 1jfl h PRO 61 CO -0.11 0.15 -0.32 1.96 -0.21 0.00 0.00 178.00 179.47 1jfl h GLN 62 N 0.23 0.00 -0.35 1.05 1.08 -1.83 -1.27 115.11 114.02 1jfl h GLN 62 Ca 0.27 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.38 1jfl h GLN 62 Cb 0.38 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 1jfl h GLN 62 CO -0.36 0.32 -0.13 -0.07 -0.95 0.00 0.00 178.83 177.64 1jfl h LEU 63 N 0.00 0.72 -0.48 1.46 3.38 -0.52 -1.67 115.31 118.19 1jfl h LEU 63 Ca -0.00 -0.39 -0.08 0.00 0.09 0.00 0.00 57.88 57.50 1jfl h LEU 63 Cb 1.19 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1jfl h LEU 63 CO 0.04 0.94 -0.01 0.40 0.09 0.00 0.00 178.44 179.90 1jfl h ILE 64 N 0.48 1.26 -0.60 1.22 2.04 -0.88 -1.68 117.51 119.36 1jfl h ILE 64 Ca 0.08 -1.09 0.01 0.00 1.00 0.00 0.00 64.86 64.86 1jfl h ILE 64 Cb 0.66 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.72 1jfl h ILE 64 CO 0.04 0.38 0.39 -0.25 0.00 0.00 0.00 178.15 178.72 1jfl h TRP 65 N 0.72 0.74 -0.65 1.37 7.01 -1.14 -0.74 115.95 123.26 1jfl h TRP 65 Ca 0.13 0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.09 1jfl h TRP 65 Cb 0.53 -0.25 -0.03 0.00 -2.10 0.00 0.00 29.16 27.32 1jfl h TRP 65 CO 0.04 0.46 0.15 1.15 -2.79 0.00 0.00 178.44 177.45 1jfl h THR 66 N 0.80 1.26 -0.77 2.65 2.02 -1.14 -1.90 112.91 115.83 1jfl h THR 66 Ca 0.22 -0.96 -0.04 0.00 0.77 0.00 0.00 66.41 66.40 1jfl h THR 66 Cb -0.07 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1jfl h THR 66 CO -0.06 0.36 0.32 0.00 0.37 0.00 0.00 175.52 176.51 1jfl h ALA 67 N 1.05 1.01 -0.55 6.16 0.00 -0.84 -0.90 119.26 125.18 1jfl h ALA 67 Ca 0.20 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1jfl h ALA 67 Cb 0.38 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1jfl h ALA 67 CO 0.00 0.62 0.05 0.87 0.00 0.00 0.00 179.25 180.80 1jfl h LYS 68 N 1.12 0.94 -0.38 0.00 1.57 -0.90 -0.34 116.57 118.58 1jfl h LYS 68 Ca 0.26 -0.27 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1jfl h LYS 68 Cb 0.21 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1jfl h LYS 68 CO -0.02 0.92 -0.07 0.00 -0.57 0.00 0.00 179.45 179.71 1jfl h ARG 69 N 0.83 0.64 -0.49 3.15 2.47 -1.08 0.83 114.38 120.73 1jfl h ARG 69 Ca 0.16 -0.18 -0.11 0.00 -1.26 0.00 0.00 59.98 58.60 1jfl h ARG 69 Cb 0.46 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.70 1jfl h ARG 69 CO 0.02 0.71 -0.12 1.25 0.56 0.00 0.00 179.97 182.39 1jfl h LEU 70 N 0.59 0.95 -0.30 3.04 5.85 -0.82 0.09 115.31 124.71 1jfl h LEU 70 Ca 0.11 -0.36 -0.03 0.00 0.84 0.00 0.00 57.88 58.44 1jfl h LEU 70 Cb 0.48 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 1jfl h LEU 70 CO 0.03 1.09 0.06 -0.08 -0.34 0.00 0.00 178.44 179.20 1jfl h GLU 71 N 0.80 0.49 -0.73 1.25 4.81 -0.63 -2.60 114.58 117.96 1jfl h GLU 71 Ca 0.12 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1jfl h GLU 71 Cb 0.67 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.96 1jfl h GLU 71 CO 0.05 0.58 0.39 0.93 -0.73 0.00 0.00 179.01 180.22 1jfl h GLU 72 N 0.32 1.02 0.00 1.92 5.08 -0.67 -2.09 114.58 120.17 1jfl h GLU 72 Ca 0.09 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 1jfl h GLU 72 Cb 0.31 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1jfl h GLU 72 CO 0.00 0.76 -0.13 0.00 -1.00 0.00 0.00 179.01 178.65 1jfl n GLY 74 N -0.52 -0.39 3.77 0.00 0.00 -0.78 -5.10 105.19 102.17 1jfl n GLY 74 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.56 3.50 -0.20 4.61 0.00 -1.01 -4.75 121.76 123.35 1jfl s ALA 75 Ca 0.00 1.26 0.22 0.00 0.00 0.00 0.00 51.96 53.44 1jfl s ALA 75 Cb 0.00 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.58 1jfl s ALA 75 CO 0.00 -0.64 0.94 -0.25 0.00 0.00 0.00 175.76 175.81 1jfl n ASP 76 N 0.83 0.72 -3.49 0.00 8.00 -0.21 -4.75 116.55 117.66 1jfl n ASP 76 Ca 0.00 0.28 -0.11 0.00 0.71 0.00 0.00 54.79 55.68 1jfl n ASP 76 Cb 0.42 0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 42.15 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 -0.46 0.02 1.24 -0.12 -1.24 -4.24 117.98 109.83 1jfl s PHE 77 Ca -0.02 0.24 0.07 0.00 -0.05 0.00 0.00 56.93 57.16 1jfl s PHE 77 Cb 0.10 0.57 -0.02 0.00 -0.63 0.00 0.00 43.02 43.04 1jfl s PHE 77 CO 0.81 -0.84 -0.20 0.42 -0.05 0.00 0.00 175.22 175.36 1jfl s ILE 78 N -3.66 1.58 0.11 -4.49 1.01 0.05 -1.24 121.20 114.56 1jfl s ILE 78 Ca 0.03 -1.06 0.06 0.00 0.00 0.00 0.00 60.65 59.68 1jfl s ILE 78 Cb -0.02 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 1jfl s ILE 78 CO -0.10 0.27 -0.14 0.27 0.00 0.00 0.00 174.94 175.24 1jfl s ILE 79 N -0.69 1.27 -0.08 2.92 -4.36 -0.51 -0.81 121.20 118.95 1jfl s ILE 79 Ca 0.07 -1.60 0.02 0.00 -0.26 0.00 0.00 60.65 58.87 1jfl s ILE 79 Cb -0.08 -1.41 0.02 0.00 1.25 0.00 0.00 42.46 42.23 1jfl s ILE 79 CO 0.01 -0.36 -0.12 -0.04 0.24 0.00 0.00 174.94 174.67 1jfl s MET 80 N -2.41 1.72 -0.98 0.37 -1.94 -1.26 -1.56 119.30 113.24 1jfl s MET 80 Ca 0.06 -0.40 -0.06 0.00 -1.71 0.00 0.00 55.69 53.58 1jfl s MET 80 Cb -0.06 -1.48 0.04 0.00 2.01 0.00 0.00 34.83 35.33 1jfl s MET 80 CO 0.03 -0.03 2.69 -0.35 -0.01 0.00 0.00 175.02 177.34 1jfl n PRO 81 N 4.04 3.61 -3.66 2.03 -0.04 -1.26 -4.77 135.00 134.94 1jfl n PRO 81 Ca -0.21 -2.75 -0.07 0.00 -0.04 0.00 0.00 63.50 60.42 1jfl n PRO 81 Cb 0.51 -2.45 -0.08 0.00 -0.04 0.00 0.00 33.50 31.44 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 7.71 -0.63 -0.05 0.00 2.35 -1.88 -3.25 115.58 119.83 1jfl h ASN 83 Ca -0.24 -0.05 0.01 0.00 -0.55 0.00 0.00 56.30 55.48 1jfl h ASN 83 Cb 1.14 0.16 -0.00 0.00 0.05 0.00 0.00 38.32 39.67 1jfl h ASN 83 CO 0.17 -0.31 0.03 0.71 -1.65 0.00 0.00 177.43 176.39 1jfl h THR 84 N -0.96 0.95 0.00 2.81 1.35 -1.92 -1.61 112.91 113.53 1jfl h THR 84 Ca -0.08 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.76 1jfl h THR 84 Cb 0.64 0.98 -0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1jfl h THR 84 CO 0.12 0.00 -0.09 0.00 -0.25 0.00 0.00 175.52 175.30 1jfl h ALA 85 N 1.98 1.52 0.00 6.62 0.00 -1.97 -1.48 119.26 125.92 1jfl h ALA 85 Ca 0.02 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1jfl h ALA 85 Cb 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1jfl h ALA 85 CO -0.00 0.12 0.00 0.72 0.00 0.00 0.00 179.25 180.09 1jfl n HIS 86 N -3.95 0.22 0.29 0.00 -0.00 -0.60 -1.73 115.22 109.46 1jfl n HIS 86 Ca -0.02 0.09 0.18 0.00 -0.00 0.00 0.00 57.72 57.96 1jfl n HIS 86 Cb 0.18 -0.64 0.87 0.00 -0.00 0.00 0.00 29.99 30.41 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 2.41 1.09 -0.22 -1.41 0.00 -1.42 -2.08 119.26 117.64 1jfl h ALA 87 Ca 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1jfl h ALA 87 Cb 0.27 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1jfl h ALA 87 CO 0.00 0.05 -0.01 1.19 0.00 0.00 0.00 179.25 180.48 1jfl n PHE 88 N -3.27 0.77 -0.03 0.00 3.01 -0.70 -4.73 117.46 112.51 1jfl n PHE 88 Ca -0.01 -1.00 0.05 0.00 1.01 0.00 0.00 57.45 57.50 1jfl n PHE 88 Cb 0.21 -0.31 0.42 0.00 -0.01 0.00 0.00 39.48 39.79 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 1.35 1.09 -0.15 -4.37 3.04 -1.45 -2.04 116.25 113.71 1jfl h VAL 89 Ca 0.03 -0.20 -0.16 0.00 -1.01 0.00 0.00 66.70 65.36 1jfl h VAL 89 Cb 1.38 0.45 -0.01 0.00 -2.01 0.00 0.00 31.29 31.11 1jfl h VAL 89 CO 0.20 0.11 -0.58 -0.33 -1.01 0.00 0.00 177.57 175.96 1jfl h GLU 90 N 0.58 0.47 -0.59 4.17 4.39 -1.84 -1.34 114.58 120.42 1jfl h GLU 90 Ca 0.18 -0.31 -0.05 0.00 0.34 0.00 0.00 59.36 59.52 1jfl h GLU 90 Cb 0.01 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 1jfl h GLU 90 CO -0.04 0.91 0.17 -0.44 -1.16 0.00 0.00 179.01 178.45 1jfl h ASP 91 N 0.35 0.88 -0.16 1.42 3.32 -1.75 -1.69 116.42 118.79 1jfl h ASP 91 Ca -0.00 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 1jfl h ASP 91 Cb 1.12 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.43 1jfl h ASP 91 CO 0.10 0.87 -0.05 0.40 -1.72 0.00 0.00 179.24 178.84 1jfl h ILE 92 N 0.85 1.30 -0.77 0.35 2.04 -1.32 -2.87 117.51 117.08 1jfl h ILE 92 Ca 0.19 -1.03 0.07 0.00 1.00 0.00 0.00 64.86 65.09 1jfl h ILE 92 Cb 0.32 1.65 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 1jfl h ILE 92 CO -0.00 0.30 0.44 0.03 0.00 0.00 0.00 178.15 178.93 1jfl h ARG 93 N 0.01 0.77 0.00 2.37 3.08 -1.14 -1.59 114.38 117.89 1jfl h ARG 93 Ca 0.04 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 1jfl h ARG 93 Cb 0.49 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1jfl h ARG 93 CO 0.02 0.51 -0.22 0.87 -1.07 0.00 0.00 179.97 180.08 1jfl h LYS 94 N 0.79 0.00 0.00 0.04 1.57 -1.28 -3.04 116.57 114.66 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 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1jfl h LYS 94 CO -0.20 0.22 -0.54 0.00 -0.57 0.00 0.00 179.45 178.36 1jfl h ALA 95 N 1.78 0.71 -1.39 3.86 0.00 -1.07 -3.48 119.26 119.68 1jfl h ALA 95 Ca -0.00 0.00 -0.63 0.00 0.00 0.00 0.00 54.91 54.27 1jfl h ALA 95 Cb 0.47 0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.13 1jfl h ALA 95 CO 0.03 0.00 -0.58 0.96 0.00 0.00 0.00 179.25 179.66 1jfl s ILE 96 N -3.26 1.77 -0.17 0.00 -4.36 -0.96 -5.03 121.20 109.19 1jfl s ILE 96 Ca 0.04 -2.00 0.10 0.00 -0.26 0.00 0.00 60.65 58.53 1jfl s ILE 96 Cb 0.09 -2.80 -0.23 0.00 1.25 0.00 0.00 42.46 40.77 1jfl s ILE 96 CO 0.73 0.00 0.16 0.29 0.24 0.00 0.00 174.94 176.36 1jfl n LYS 97 N -1.02 0.68 -2.43 0.37 5.02 -1.26 -4.89 118.16 114.62 1jfl n LYS 97 Ca -0.08 0.12 -0.32 0.00 -2.02 0.00 0.00 58.31 56.02 1jfl n LYS 97 Cb 0.67 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 34.05 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 -2.53 4.61 0.68 -0.18 -4.36 -1.26 -5.04 121.20 113.12 1jfl s ILE 98 Ca -0.16 1.04 -0.15 0.00 -0.26 0.00 0.00 60.65 61.12 1jfl s ILE 98 Cb 0.07 -3.74 0.01 0.00 1.25 0.00 0.00 42.46 40.05 1jfl s ILE 98 CO 0.77 -0.71 1.12 -2.84 0.24 0.00 0.00 174.94 173.52 1jfl s PRO 99 N -4.17 2.66 -0.14 0.37 0.02 -1.26 -4.86 135.00 127.62 1jfl s PRO 99 Ca 0.57 1.44 0.01 0.00 0.02 0.00 0.00 61.00 63.04 1jfl s PRO 99 Cb -0.10 -1.93 0.02 0.00 0.02 0.00 0.00 34.50 32.51 1jfl s PRO 99 CO 0.34 -1.37 -0.17 0.42 -0.33 0.00 0.00 177.00 175.89 1jfl s ILE 100 N -2.31 1.76 -0.26 2.83 -1.09 -1.26 -0.77 121.20 120.09 1jfl s ILE 100 Ca 0.68 -0.78 -0.13 0.00 -2.23 0.00 0.00 60.65 58.19 1jfl s ILE 100 Cb -0.22 -1.60 -0.04 0.00 -1.58 0.00 0.00 42.46 39.02 1jfl s ILE 100 CO 0.43 0.49 0.27 -0.63 -1.23 0.00 0.00 174.94 174.27 1jfl s ILE 101 N 1.13 5.26 -0.19 2.92 1.01 0.01 -4.94 121.20 126.40 1jfl s ILE 101 Ca -0.02 0.37 -0.28 0.00 0.00 0.00 0.00 60.65 60.72 1jfl s ILE 101 Cb -0.14 -3.61 -0.00 0.00 0.01 0.00 0.00 42.46 38.72 1jfl s ILE 101 CO -0.06 0.23 0.99 -0.55 0.00 0.00 0.00 174.94 175.55 1jfl s SER 102 N 1.53 7.11 0.36 3.58 0.15 -1.26 -4.54 113.70 120.64 1jfl s SER 102 Ca 0.11 1.38 0.06 0.00 0.70 0.00 0.00 55.95 58.21 1jfl s SER 102 Cb -0.15 -2.53 0.69 0.00 -1.71 0.00 0.00 66.02 62.32 1jfl s SER 102 CO 0.09 -0.56 1.91 -0.03 1.20 0.00 0.00 173.24 175.85 1jfl h MET 103 N 7.34 0.42 -0.12 5.44 4.05 -1.94 -1.41 114.93 128.72 1jfl h MET 103 Ca -0.24 -0.09 -0.04 0.00 -0.28 0.00 0.00 59.70 59.05 1jfl h MET 103 Cb 1.10 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 31.83 1jfl h MET 103 CO 0.92 0.47 -0.08 0.82 0.23 0.00 0.00 176.91 179.27 1jfl h ILE 104 N 0.41 1.33 -0.46 1.77 1.08 -1.93 -2.30 117.51 117.40 1jfl h ILE 104 Ca 0.09 -1.15 -0.13 0.00 -0.39 0.00 0.00 64.86 63.28 1jfl h ILE 104 Cb 0.31 1.83 -0.01 0.00 -3.07 0.00 0.00 36.82 35.87 1jfl h ILE 104 CO 0.01 0.33 -0.22 -0.08 -0.69 0.00 0.00 178.15 177.50 1jfl h GLU 105 N -0.09 0.97 -0.12 2.37 4.81 -1.90 -1.45 114.58 119.16 1jfl h GLU 105 Ca 0.03 -0.42 -0.06 0.00 -0.13 0.00 0.00 59.36 58.78 1jfl h GLU 105 Cb 0.56 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1jfl h GLU 105 CO 0.02 1.09 -0.18 0.93 -0.73 0.00 0.00 179.01 180.15 1jfl h GLU 106 N 0.82 0.20 -0.21 1.92 4.39 -1.30 0.37 114.58 120.77 1jfl h GLU 106 Ca 0.10 -0.05 -0.12 0.00 0.34 0.00 0.00 59.36 59.63 1jfl h GLU 106 Cb 0.80 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1jfl h GLU 106 CO 0.07 0.38 -0.35 1.15 -1.16 0.00 0.00 179.01 179.10 1jfl h THR 107 N 0.19 1.32 -0.95 1.13 2.02 -1.19 -1.44 112.91 113.98 1jfl h THR 107 Ca 0.04 -1.56 0.02 0.00 0.77 0.00 0.00 66.41 65.67 1jfl h THR 107 Cb 0.43 1.81 -0.05 0.00 -1.74 0.00 0.00 68.15 68.60 1jfl h THR 107 CO 0.03 0.49 0.63 0.00 0.37 0.00 0.00 175.52 177.03 1jfl h ALA 108 N 0.62 1.22 -0.45 6.16 0.00 -0.65 -0.06 119.26 126.10 1jfl h ALA 108 Ca 0.02 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1jfl h ALA 108 Cb 0.94 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1jfl h ALA 108 CO 0.08 0.58 0.17 0.87 0.00 0.00 0.00 179.25 180.96 1jfl h LYS 109 N 1.28 0.68 -0.40 0.00 1.57 -0.81 -2.34 116.57 116.54 1jfl h LYS 109 Ca 0.36 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 1jfl h LYS 109 Cb -0.12 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 1jfl h LYS 109 CO -0.09 0.63 0.19 -0.22 -0.57 0.00 0.00 179.45 179.39 1jfl h LYS 110 N 0.59 0.58 -0.96 3.15 1.63 -0.65 -0.80 116.57 120.10 1jfl h LYS 110 Ca 0.15 -0.09 0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1jfl h LYS 110 Cb 0.21 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.69 1jfl h LYS 110 CO -0.01 0.51 0.64 0.28 -3.45 0.00 0.00 179.45 177.42 1jfl h VAL 111 N 0.50 1.24 -0.33 2.00 2.07 -0.91 -1.03 116.25 119.79 1jfl h VAL 111 Ca 0.14 -0.45 -0.13 0.00 0.82 0.00 0.00 66.70 67.08 1jfl h VAL 111 Cb 0.13 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.72 1jfl h VAL 111 CO -0.02 0.24 -0.30 0.50 0.02 0.00 0.00 177.57 178.01 1jfl h LYS 112 N 1.30 0.79 -0.50 1.57 3.64 -1.20 -2.55 116.57 119.62 1jfl h LYS 112 Ca 0.36 -0.41 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1jfl h LYS 112 Cb -0.14 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1jfl h LYS 112 CO -0.08 1.04 0.33 0.93 -2.27 0.00 0.00 179.45 179.40 1jfl h GLU 113 N 0.57 0.48 -0.15 1.90 5.08 -0.62 -0.16 114.58 121.68 1jfl h GLU 113 Ca 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 1jfl h GLU 113 Cb 0.88 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.02 1jfl h GLU 113 CO 0.08 0.32 0.00 1.28 -1.00 0.00 0.00 179.01 179.68 1jfl n LEU 114 N -4.48 0.97 -0.17 1.33 4.77 -0.44 -4.93 117.00 114.07 1jfl n LEU 114 Ca 0.06 -0.45 -0.02 0.00 -0.03 0.00 0.00 56.01 55.57 1jfl n LEU 114 Cb 0.20 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1jfl n LEU 114 CO 0.35 0.23 -0.02 0.61 -1.33 0.00 0.00 177.39 177.22 1jfl n GLY 115 N 0.88 0.53 3.77 -0.72 0.00 -0.07 -5.03 105.19 104.54 1jfl n GLY 115 Ca 0.10 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.88 3.79 -0.03 1.61 0.08 -0.98 -4.96 117.98 115.61 1jfl s PHE 116 Ca 0.00 1.83 0.08 0.00 0.12 0.00 0.00 56.93 58.96 1jfl s PHE 116 Cb 0.00 -2.99 -0.13 0.00 -0.57 0.00 0.00 43.02 39.33 1jfl s PHE 116 CO 0.00 0.21 0.16 1.63 -0.10 0.00 0.00 175.22 177.12 1jfl n LYS 117 N 0.97 0.78 -3.96 0.44 4.76 -1.26 -4.63 118.16 115.27 1jfl n LYS 117 Ca 0.00 -0.06 -0.17 0.00 -2.87 0.00 0.00 58.31 55.20 1jfl n LYS 117 Cb 0.48 -1.21 -0.16 0.00 -1.84 0.00 0.00 35.03 32.30 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 -2.52 0.37 -0.06 1.97 1.02 -1.26 -0.35 119.74 118.91 1jfl s LYS 118 Ca -0.03 0.05 0.03 0.00 0.02 0.00 0.00 55.97 56.04 1jfl s LYS 118 Cb 0.05 -0.53 0.00 0.00 -0.52 0.00 0.00 37.83 36.83 1jfl s LYS 118 CO 0.36 -0.13 -0.15 0.00 -0.92 0.00 0.00 175.35 174.51 1jfl s ALA 119 N 1.02 1.43 -0.20 5.17 0.00 0.31 -1.43 121.76 128.07 1jfl s ALA 119 Ca -0.10 -0.58 -0.20 0.00 0.00 0.00 0.00 51.96 51.08 1jfl s ALA 119 Cb -0.14 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.41 1jfl s ALA 119 CO -0.01 0.20 0.60 0.20 0.00 0.00 0.00 175.76 176.75 1jfl s GLY 120 N 0.32 2.06 -0.21 0.00 0.00 -0.20 -0.67 107.32 108.62 1jfl s GLY 120 Ca -0.09 -0.30 -0.08 0.00 0.00 0.00 0.00 44.72 44.24 1jfl s GLY 120 CO 0.03 1.25 0.10 -2.27 0.00 0.00 0.00 173.10 172.21 1jfl s LEU 121 N 1.82 3.85 -0.35 0.66 2.96 0.42 -0.23 118.68 127.81 1jfl s LEU 121 Ca 0.28 0.04 -0.04 0.00 -0.22 0.00 0.00 54.13 54.18 1jfl s LEU 121 Cb -0.16 -2.01 0.07 0.00 0.50 0.00 0.00 46.19 44.60 1jfl s LEU 121 CO 0.10 0.10 0.11 -0.76 -1.32 0.00 0.00 176.35 174.58 1jfl s LEU 122 N 0.84 4.54 0.00 -0.68 1.43 -0.67 -4.50 118.68 119.64 1jfl s LEU 122 Ca 0.05 -1.49 -0.11 0.00 -1.03 0.00 0.00 54.13 51.55 1jfl s LEU 122 Cb -0.13 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.32 1jfl s LEU 122 CO 0.02 -0.39 0.69 0.00 0.23 0.00 0.00 176.35 176.90 1jfl n ALA 123 N 4.69 -1.35 -1.42 4.21 0.00 -1.26 0.08 120.51 125.46 1jfl n ALA 123 Ca -0.09 -1.32 -0.32 0.00 0.00 0.00 0.00 53.44 51.71 1jfl n ALA 123 Cb 0.43 1.06 0.06 0.00 0.00 0.00 0.00 19.45 21.00 1jfl n ALA 123 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1jfl s THR 124 N -2.31 3.50 0.31 0.00 -4.23 -1.26 -4.83 115.64 106.82 1jfl s THR 124 Ca 0.19 0.56 0.01 0.00 -1.18 0.00 0.00 61.69 61.26 1jfl s THR 124 Cb -0.04 -3.11 0.18 0.00 1.34 0.00 0.00 72.50 70.87 1jfl s THR 124 CO 0.14 -0.57 1.87 0.74 -0.54 0.00 0.00 174.62 176.26 1jfl h THR 125 N -0.62 1.21 -0.58 3.99 2.02 -2.00 -2.00 112.91 114.93 1jfl h THR 125 Ca -0.45 -0.71 -0.00 0.00 0.77 0.00 0.00 66.41 66.02 1jfl h THR 125 Cb 1.23 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 1jfl h THR 125 CO 0.54 0.27 0.35 1.23 0.37 0.00 0.00 175.52 178.28 1jfl h GLY 126 N 0.92 0.84 0.97 2.16 0.00 -1.96 0.49 103.07 106.49 1jfl h GLY 126 Ca 0.17 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.16 1jfl h GLY 126 CO -0.01 0.34 0.22 -0.84 0.00 0.00 0.00 176.54 176.25 1jfl h THR 127 N 0.78 1.07 -0.30 4.70 2.02 -1.77 -0.60 112.91 118.82 1jfl h THR 127 Ca 0.21 -0.16 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 1jfl h THR 127 Cb -0.02 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 1jfl h THR 127 CO -0.04 0.08 0.15 0.40 0.37 0.00 0.00 175.52 176.49 1jfl h ILE 128 N 0.45 1.14 -0.83 3.11 2.04 -0.98 -2.77 117.51 119.68 1jfl h ILE 128 Ca 0.13 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1jfl h ILE 128 Cb -0.03 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 36.86 1jfl h ILE 128 CO -0.04 0.14 0.54 0.58 0.00 0.00 0.00 178.15 179.37 1jfl h VAL 129 N 0.36 1.21 0.00 1.67 2.07 -0.61 -1.32 116.25 119.62 1jfl h VAL 129 Ca 0.10 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 1jfl h VAL 129 Cb 0.09 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.85 1jfl h VAL 129 CO -0.02 0.21 -0.07 0.77 0.02 0.00 0.00 177.57 178.48 1jfl h SER 130 N 1.12 0.00 -0.06 0.57 4.64 -0.84 -3.46 113.55 115.53 1jfl h SER 130 Ca 0.30 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.60 1jfl h SER 130 Cb -0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 1jfl h SER 130 CO -0.06 0.07 -0.02 0.61 -0.87 0.00 0.00 176.83 176.55 1jfl n GLY 131 N -1.06 0.37 0.23 -0.77 0.00 -0.50 -4.93 105.19 98.54 1jfl n GLY 131 Ca -0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 0.99 -0.40 1.61 -1.51 -1.84 0.81 116.25 115.90 1jfl h VAL 132 Ca -0.02 -0.21 -0.10 0.00 -1.23 0.00 0.00 66.70 65.13 1jfl h VAL 132 Cb 0.49 0.33 -0.01 0.00 -2.13 0.00 0.00 31.29 29.97 1jfl h VAL 132 CO 0.04 0.11 -0.15 1.88 -1.23 0.00 0.00 177.57 178.22 1jfl h TYR 133 N 0.61 0.92 -0.52 5.19 -1.99 -1.91 -2.29 116.97 116.97 1jfl h TYR 133 Ca 0.25 -0.21 -0.00 0.00 2.00 0.00 0.00 58.73 60.76 1jfl h TYR 133 Cb 0.12 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.61 1jfl h TYR 133 CO -0.08 0.96 0.32 0.93 -0.00 0.00 0.00 178.16 180.28 1jfl h GLU 134 N 0.62 0.70 0.06 4.88 3.07 -1.84 0.44 114.58 122.51 1jfl h GLU 134 Ca 0.09 -0.06 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1jfl h GLU 134 Cb 0.69 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 1jfl h GLU 134 CO 0.05 0.50 -0.03 -0.22 -1.40 0.00 0.00 179.01 177.91 1jfl h LYS 135 N 0.70 -0.08 -0.15 2.33 3.64 -0.79 -1.85 116.57 120.36 1jfl h LYS 135 Ca 0.19 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.50 1jfl h LYS 135 Cb -0.03 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1jfl h LYS 135 CO -0.04 -0.00 -0.21 0.93 -2.27 0.00 0.00 179.45 177.87 1jfl h GLU 136 N -0.15 0.41 -0.88 1.90 4.39 -1.34 -2.97 114.58 115.95 1jfl h GLU 136 Ca -0.01 -0.24 0.01 0.00 0.34 0.00 0.00 59.36 59.46 1jfl h GLU 136 Cb 0.12 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.75 1jfl h GLU 136 CO 0.01 0.82 0.58 0.74 -1.16 0.00 0.00 179.01 180.00 1jfl h PHE 137 N 0.04 1.10 -0.74 4.33 -1.00 -0.95 -2.05 116.94 117.66 1jfl h PHE 137 Ca 0.02 0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1jfl h PHE 137 Cb 0.77 -0.37 -0.04 0.00 3.61 0.00 0.00 35.95 39.92 1jfl h PHE 137 CO 0.09 0.69 0.47 0.77 -1.61 0.00 0.00 178.31 178.72 1jfl h SER 138 N 1.18 0.86 -0.95 2.17 0.02 -1.35 0.47 113.55 115.95 1jfl h SER 138 Ca 0.32 -0.03 0.06 0.00 -0.84 0.00 0.00 61.79 61.30 1jfl h SER 138 Cb -0.13 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.14 1jfl h SER 138 CO -0.07 0.64 0.62 0.11 -1.14 0.00 0.00 176.83 176.99 1jfl h LYS 139 N 1.01 1.08 -0.65 3.45 1.57 -1.21 -1.22 116.57 120.61 1jfl h LYS 139 Ca 0.27 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1jfl h LYS 139 Cb -0.09 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 31.98 1jfl h LYS 139 CO -0.06 0.72 0.00 0.66 -0.57 0.00 0.00 179.45 180.20 1jfl n TYR 140 N -4.49 1.24 -1.76 -1.35 4.02 -0.65 -4.93 117.16 109.25 1jfl n TYR 140 Ca 0.14 -0.46 -0.11 0.00 -0.01 0.00 0.00 57.90 57.46 1jfl n TYR 140 Cb 0.18 -0.28 -0.03 0.00 -0.02 0.00 0.00 39.34 39.19 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 0.71 0.59 3.52 2.72 0.00 -0.46 -4.87 105.19 107.39 1jfl n GLY 141 Ca 0.19 -0.46 -0.34 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.49 3.77 -0.11 1.61 1.01 0.06 -4.87 120.40 119.38 1jfl s VAL 142 Ca 0.00 -0.42 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 1jfl s VAL 142 Cb 0.00 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 1jfl s VAL 142 CO 0.00 0.53 0.57 -0.70 0.00 0.00 0.00 175.10 175.50 1jfl s GLU 143 N -0.02 4.35 -0.00 2.72 2.12 0.52 -3.40 118.70 124.99 1jfl s GLU 143 Ca 0.00 0.61 -0.15 0.00 0.36 0.00 0.00 54.97 55.79 1jfl s GLU 143 Cb -0.13 -3.46 -0.06 0.00 0.26 0.00 0.00 34.13 30.74 1jfl s GLU 143 CO 0.03 0.07 0.41 0.42 -0.54 0.00 0.00 175.26 175.64 1jfl s ILE 144 N 0.88 5.04 -0.10 -3.70 -1.09 -1.26 -0.53 121.20 120.43 1jfl s ILE 144 Ca 0.30 0.84 0.01 0.00 -2.23 0.00 0.00 60.65 59.57 1jfl s ILE 144 Cb -0.16 -3.71 0.02 0.00 -1.58 0.00 0.00 42.46 37.03 1jfl s ILE 144 CO 0.13 0.57 -0.13 -0.32 -1.23 0.00 0.00 174.94 173.96 1jfl s MET 145 N -1.04 1.99 0.31 2.79 -2.45 0.16 -4.91 119.30 116.14 1jfl s MET 145 Ca 0.24 -0.48 0.09 0.00 -1.25 0.00 0.00 55.69 54.29 1jfl s MET 145 Cb -0.17 -1.74 -0.06 0.00 1.25 0.00 0.00 34.83 34.12 1jfl s MET 145 CO 0.13 -0.08 -0.11 0.95 1.05 0.00 0.00 175.02 176.96 1jfl s THR 146 N 1.05 2.13 1.00 10.11 -4.23 -1.26 -0.44 115.64 124.00 1jfl s THR 146 Ca -0.06 -2.23 -0.12 0.00 -1.18 0.00 0.00 61.69 58.10 1jfl s THR 146 Cb -0.15 -2.49 0.19 0.00 1.34 0.00 0.00 72.50 71.39 1jfl s THR 146 CO -0.02 -0.29 1.08 -2.84 -0.54 0.00 0.00 174.62 172.01 1jfl s PRO 147 N -3.62 0.41 1.03 3.99 0.02 -1.26 -5.01 135.00 130.57 1jfl s PRO 147 Ca 0.31 0.74 -0.14 0.00 0.02 0.00 0.00 61.00 61.93 1jfl s PRO 147 Cb 0.01 -1.72 0.20 0.00 0.02 0.00 0.00 34.50 33.02 1jfl s PRO 147 CO 0.15 -2.80 1.11 0.95 -0.33 0.00 0.00 177.00 176.07 1jfl s THR 148 N -2.82 1.93 0.21 0.99 -4.23 -1.26 -4.65 115.64 105.80 1jfl s THR 148 Ca 0.65 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 61.07 1jfl s THR 148 Cb -0.20 -2.54 0.15 0.00 1.34 0.00 0.00 72.50 71.24 1jfl s THR 148 CO 0.59 0.00 1.82 -0.33 -0.54 0.00 0.00 174.62 176.16 1jfl h GLU 149 N -1.99 0.72 -0.40 3.99 5.08 -1.98 0.24 114.58 120.23 1jfl h GLU 149 Ca -0.52 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 57.70 1jfl h GLU 149 Cb 1.32 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1jfl h GLU 149 CO 0.54 0.47 -0.13 -0.44 -1.00 0.00 0.00 179.01 178.45 1jfl h ASP 150 N 0.74 0.80 0.14 1.42 3.45 -2.00 -2.38 116.42 118.59 1jfl h ASP 150 Ca 0.30 -0.38 -0.09 0.00 0.43 0.00 0.00 57.03 57.29 1jfl h ASP 150 Cb 0.15 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.68 1jfl h ASP 150 CO -0.16 1.00 -0.31 -0.33 -1.57 0.00 0.00 179.24 177.86 1jfl h GLU 151 N 0.60 0.26 -0.15 3.56 5.08 -1.81 -2.19 114.58 119.93 1jfl h GLU 151 Ca 0.10 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.29 1jfl h GLU 151 Cb 0.66 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1jfl h GLU 151 CO 0.05 0.55 -0.19 0.37 -1.00 0.00 0.00 179.01 178.80 1jfl h GLN 152 N 0.23 0.26 -0.34 2.33 5.75 -0.33 -1.07 115.11 121.95 1jfl h GLN 152 Ca 0.03 -0.07 -0.10 0.00 -0.15 0.00 0.00 58.65 58.36 1jfl h GLN 152 Cb 0.67 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 1jfl h GLN 152 CO 0.05 0.44 -0.19 0.87 -2.65 0.00 0.00 178.83 177.36 1jfl h LYS 153 N 0.24 0.63 -0.59 1.69 1.57 -0.88 -1.03 116.57 118.20 1jfl h LYS 153 Ca 0.04 -0.22 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 1jfl h LYS 153 Cb 0.47 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1jfl h LYS 153 CO 0.03 0.78 0.15 -0.44 -0.57 0.00 0.00 179.45 179.39 1jfl h ASP 154 N 0.56 0.89 -0.19 0.86 3.45 -1.00 -0.45 116.42 120.54 1jfl h ASP 154 Ca 0.09 -0.23 -0.00 0.00 0.43 0.00 0.00 57.03 57.31 1jfl h ASP 154 Cb 0.63 -0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 39.16 1jfl h ASP 154 CO 0.04 0.89 0.11 0.58 -1.57 0.00 0.00 179.24 179.30 1jfl h VAL 155 N 0.85 1.09 -0.89 -1.35 2.07 -0.79 0.19 116.25 117.42 1jfl h VAL 155 Ca 0.18 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1jfl h VAL 155 Cb 0.34 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.97 1jfl h VAL 155 CO 0.00 0.09 0.57 0.24 0.02 0.00 0.00 177.57 178.49 1jfl h MET 156 N 0.22 1.19 -0.31 1.57 2.86 -1.00 -0.43 114.93 119.03 1jfl h MET 156 Ca 0.07 -0.08 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1jfl h MET 156 Cb 0.04 -0.26 -0.01 0.00 0.06 0.00 0.00 31.60 31.43 1jfl h MET 156 CO -0.01 0.80 -0.01 -0.09 1.06 0.00 0.00 176.91 178.66 1jfl h ARG 157 N 1.21 0.55 -0.82 1.72 2.43 -0.67 -0.74 114.38 118.06 1jfl h ARG 157 Ca 0.32 -0.18 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1jfl h ARG 157 Cb -0.11 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.36 1jfl h ARG 157 CO -0.07 0.69 0.46 0.78 -1.51 0.00 0.00 179.97 180.33 1jfl h GLY 158 N 0.34 1.22 0.35 2.80 0.00 -0.02 0.23 103.07 107.99 1jfl h GLY 158 Ca 0.09 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.88 1jfl h GLY 158 CO 0.02 0.52 -0.01 -2.22 0.00 0.00 0.00 176.54 174.84 1jfl h ILE 159 N 1.15 1.42 0.00 2.60 2.04 -0.99 -0.86 117.51 122.87 1jfl h ILE 159 Ca 0.29 -1.47 0.00 0.00 1.00 0.00 0.00 64.86 64.68 1jfl h ILE 159 Cb 0.01 2.39 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 1jfl h ILE 159 CO -0.05 0.37 -0.34 1.88 0.00 0.00 0.00 178.15 180.02 1jfl h TYR 160 N -0.68 0.00 0.00 1.37 -1.99 -1.10 -1.07 116.97 113.50 1jfl h TYR 160 Ca -0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1jfl h TYR 160 Cb 0.63 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.36 1jfl h TYR 160 CO 0.14 0.00 0.00 0.93 -0.00 0.00 0.00 178.16 179.23 1jfl h GLU 161 N -0.96 0.00 0.00 4.88 5.08 -1.20 -3.00 114.58 119.37 1jfl h GLU 161 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1jfl h GLU 161 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1jfl h GLU 161 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1jfl n GLY 162 N 0.19 0.09 0.25 -3.84 0.00 -0.12 -4.46 105.19 97.31 1jfl n GLY 162 Ca 0.02 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 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 0.41 0.00 1.61 2.07 -1.17 -0.09 116.25 119.07 1jfl h VAL 163 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1jfl h VAL 163 Cb 0.00 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1jfl h VAL 163 CO 0.00 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.70 1jfl h LYS 164 N -0.14 0.00 -0.01 1.57 1.57 -1.28 -0.73 116.57 117.55 1jfl h LYS 164 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1jfl h LYS 164 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1jfl h LYS 164 CO -0.47 0.00 -0.25 0.00 -0.57 0.00 0.00 179.45 178.16 1jfl n ALA 165 N -2.04 3.08 -0.50 3.86 0.00 -0.42 -4.93 120.51 119.55 1jfl n ALA 165 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1jfl n ALA 165 Cb 0.16 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.59 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 1.34 0.75 3.30 0.00 0.00 -0.28 -5.01 105.19 105.29 1jfl n GLY 166 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 1jfl n GLY 166 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jfl s ASN 167 N -2.31 6.59 0.35 1.61 3.84 -0.18 -4.89 114.94 119.95 1jfl s ASN 167 Ca 0.00 -2.71 0.16 0.00 0.21 0.00 0.00 52.86 50.53 1jfl s ASN 167 Cb 0.00 -2.17 0.60 0.00 -0.55 0.00 0.00 41.25 39.13 1jfl s ASN 167 CO 0.00 -0.55 1.70 -0.07 -2.79 0.00 0.00 177.10 175.39 1jfl h LEU 168 N 7.70 0.00 -0.38 3.21 3.38 -1.88 -2.17 115.31 125.17 1jfl h LEU 168 Ca 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 1jfl h LEU 168 Cb 1.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.77 1jfl h LEU 168 CO 0.75 0.44 -0.04 0.11 0.09 0.00 0.00 178.44 179.79 1jfl h LYS 169 N 0.00 0.69 -0.16 1.13 1.57 -1.95 0.13 116.57 117.99 1jfl h LYS 169 Ca -0.00 -0.24 -0.04 0.00 -1.87 0.00 0.00 60.65 58.50 1jfl h LYS 169 Cb 0.94 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 1jfl h LYS 169 CO 0.06 0.81 -0.04 1.25 -0.57 0.00 0.00 179.45 180.96 1jfl h LEU 170 N 0.51 0.31 -0.35 2.94 5.85 -1.93 -1.53 115.31 121.10 1jfl h LEU 170 Ca 0.10 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.51 1jfl h LEU 170 Cb 0.52 -0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.42 1jfl h LEU 170 CO 0.03 0.61 0.06 1.23 -0.34 0.00 0.00 178.44 180.02 1jfl h GLY 171 N 0.01 0.40 0.99 3.75 0.00 -1.28 -2.14 103.07 104.79 1jfl h GLY 171 Ca 0.04 -0.01 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 1jfl h GLY 171 CO 0.02 -0.04 -0.06 -0.09 0.00 0.00 0.00 176.54 176.37 1jfl h ARG 172 N 0.17 0.80 -0.28 4.80 2.43 -0.72 -1.73 114.38 119.84 1jfl h ARG 172 Ca 0.17 -0.29 0.04 0.00 -0.81 0.00 0.00 59.98 59.09 1jfl h ARG 172 Cb 0.20 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 1jfl h ARG 172 CO -0.24 0.90 0.05 1.49 -1.51 0.00 0.00 179.97 180.66 1jfl h GLU 173 N 0.62 0.14 -0.13 0.20 4.22 -1.02 0.13 114.58 118.74 1jfl h GLU 173 Ca 0.11 -0.01 -0.17 0.00 0.08 0.00 0.00 59.36 59.37 1jfl h GLU 173 Cb 0.58 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.80 1jfl h GLU 173 CO 0.03 0.09 -0.58 -0.07 -2.18 0.00 0.00 179.01 176.31 1jfl h LEU 174 N 0.15 0.74 -0.25 1.64 3.38 -1.39 -2.91 115.31 116.67 1jfl h LEU 174 Ca 0.13 -0.63 -0.21 0.00 0.09 0.00 0.00 57.88 57.27 1jfl h LEU 174 Cb 0.15 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.68 1jfl h LEU 174 CO -0.18 1.25 -0.73 -0.07 0.09 0.00 0.00 178.44 178.79 1jfl h LEU 175 N 0.29 0.83 -0.52 1.67 3.38 -1.21 -2.57 115.31 117.17 1jfl h LEU 175 Ca -0.03 -0.53 -0.09 0.00 0.09 0.00 0.00 57.88 57.31 1jfl h LEU 175 Cb 1.22 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 1jfl h LEU 175 CO 0.12 1.31 -0.04 0.25 0.09 0.00 0.00 178.44 180.18 1jfl h LEU 176 N 0.49 0.93 -0.78 1.67 5.85 -0.85 -0.47 115.31 122.16 1jfl h LEU 176 Ca -0.04 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.35 1jfl h LEU 176 Cb 1.34 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 1jfl h LEU 176 CO 0.15 1.04 0.46 0.50 -0.34 0.00 0.00 178.44 180.24 1jfl h LYS 177 N 0.81 1.06 -0.19 1.25 3.64 -1.52 -0.93 116.57 120.69 1jfl h LYS 177 Ca 0.14 -0.10 -0.19 0.00 -1.27 0.00 0.00 60.65 59.23 1jfl h LYS 177 Cb 0.58 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1jfl h LYS 177 CO 0.03 0.76 -0.64 1.15 -2.27 0.00 0.00 179.45 178.49 1jfl h THR 178 N 1.07 1.31 -0.70 1.00 2.02 -1.30 -2.38 112.91 113.92 1jfl h THR 178 Ca 0.28 -1.88 -0.01 0.00 0.77 0.00 0.00 66.41 65.57 1jfl h THR 178 Cb -0.02 1.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.19 1jfl h THR 178 CO -0.05 0.59 0.41 0.00 0.37 0.00 0.00 175.52 176.84 1jfl h ALA 179 N 0.78 0.89 -0.26 6.16 0.00 -0.72 -1.58 119.26 124.54 1jfl h ALA 179 Ca -0.01 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1jfl h ALA 179 Cb 1.22 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1jfl h ALA 179 CO 0.13 0.38 -0.24 0.87 0.00 0.00 0.00 179.25 180.38 1jfl h LYS 180 N 0.95 0.49 -0.34 0.00 1.57 -1.10 -1.22 116.57 116.92 1jfl h LYS 180 Ca 0.25 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 1jfl h LYS 180 Cb -0.01 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.26 1jfl h LYS 180 CO -0.04 0.70 0.15 0.82 -0.57 0.00 0.00 179.45 180.50 1jfl h ILE 181 N 0.43 1.18 -0.53 1.86 2.04 -0.94 0.06 117.51 121.61 1jfl h ILE 181 Ca 0.06 -0.53 -0.05 0.00 1.00 0.00 0.00 64.86 65.35 1jfl h ILE 181 Cb 0.66 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 1jfl h ILE 181 CO 0.05 0.19 0.15 -0.07 0.00 0.00 0.00 178.15 178.46 1jfl h LEU 182 N 0.41 0.74 -0.51 1.44 3.38 -0.99 -1.29 115.31 118.49 1jfl h LEU 182 Ca 0.12 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1jfl h LEU 182 Cb 0.16 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1jfl h LEU 182 CO -0.01 0.72 0.25 -0.33 0.09 0.00 0.00 178.44 179.16 1jfl h GLU 183 N 0.78 0.73 0.00 1.13 5.08 -0.75 -1.60 114.58 119.94 1jfl h GLU 183 Ca 0.18 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1jfl h GLU 183 Cb 0.26 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1jfl h GLU 183 CO -0.01 0.60 -0.09 0.93 -1.00 0.00 0.00 179.01 179.45 1jfl h GLU 184 N 0.68 0.00 -0.18 2.33 5.08 -0.21 -1.76 114.58 120.52 1jfl h GLU 184 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1jfl h GLU 184 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 1jfl h GLU 184 CO -0.02 0.09 0.00 0.54 -1.00 0.00 0.00 179.01 178.61 1jfl n ARG 185 N -4.14 1.62 0.00 2.33 1.74 -0.56 -4.91 116.66 112.74 1jfl n ARG 185 Ca -0.03 -0.94 0.00 0.00 -0.77 0.00 0.00 57.85 56.12 1jfl n ARG 185 Cb 0.17 -1.33 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 1.04 0.77 3.69 -0.13 0.00 -0.66 -5.06 105.19 104.84 1jfl n GLY 186 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 3.75 -0.51 4.61 0.00 -0.67 -4.85 121.76 122.09 1jfl s ALA 187 Ca 0.00 1.41 0.24 0.00 0.00 0.00 0.00 51.96 53.60 1jfl s ALA 187 Cb 0.00 -3.76 0.43 0.00 0.00 0.00 0.00 23.12 19.79 1jfl s ALA 187 CO 0.00 -1.22 1.57 0.93 0.00 0.00 0.00 175.76 177.04 1jfl h GLU 188 N 8.62 0.00 -3.26 0.00 5.08 -1.59 -3.43 114.58 119.99 1jfl h GLU 188 Ca -0.46 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.86 1jfl h GLU 188 Cb 1.22 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.33 1jfl h GLU 188 CO 0.95 0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 178.95 1jfl s ILE 190 N -3.67 2.88 -0.31 0.00 -1.09 -0.20 -1.04 121.20 117.78 1jfl s ILE 190 Ca 0.02 -0.72 -0.14 0.00 -2.23 0.00 0.00 60.65 57.57 1jfl s ILE 190 Cb 0.01 -2.20 -0.03 0.00 -1.58 0.00 0.00 42.46 38.66 1jfl s ILE 190 CO -0.11 0.53 0.34 -0.63 -1.23 0.00 0.00 174.94 173.83 1jfl s ILE 191 N 0.42 5.19 -1.13 2.92 -1.09 0.68 -0.28 121.20 127.91 1jfl s ILE 191 Ca -0.11 0.26 -0.19 0.00 -2.23 0.00 0.00 60.65 58.38 1jfl s ILE 191 Cb -0.16 -3.73 0.10 0.00 -1.58 0.00 0.00 42.46 37.09 1jfl s ILE 191 CO 0.05 0.05 1.46 0.00 -1.23 0.00 0.00 174.94 175.27 1jfl s ALA 192 N 2.00 3.32 -0.42 9.38 0.00 0.05 -1.67 121.76 134.43 1jfl s ALA 192 Ca 0.12 -2.81 0.19 0.00 0.00 0.00 0.00 51.96 49.46 1jfl s ALA 192 Cb -0.16 -4.37 0.95 0.00 0.00 0.00 0.00 23.12 19.53 1jfl s ALA 192 CO 0.11 -3.20 1.58 0.41 0.00 0.00 0.00 175.76 174.66 1jfl n GLY 193 N 5.52 -0.94 3.05 0.00 0.00 0.11 -4.20 105.19 108.74 1jfl n GLY 193 Ca 0.37 0.13 -0.16 0.00 0.00 0.00 0.00 46.02 46.36 1jfl n GLY 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfl h THR 195 N 4.67 0.90 -0.69 0.00 1.35 -1.98 -1.02 112.91 116.15 1jfl h THR 195 Ca -0.34 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.59 1jfl h THR 195 Cb 1.19 0.92 -0.04 0.00 -1.73 0.00 0.00 68.15 68.49 1jfl h THR 195 CO 0.45 0.00 0.45 -0.33 -0.25 0.00 0.00 175.52 175.84 1jfl h GLU 196 N 0.00 0.68 -0.39 4.72 3.07 -1.95 -2.11 114.58 118.60 1jfl h GLU 196 Ca 0.07 -0.04 -0.00 0.00 -0.50 0.00 0.00 59.36 58.89 1jfl h GLU 196 Cb 0.29 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 1jfl h GLU 196 CO -0.00 0.45 0.23 0.28 -1.40 0.00 0.00 179.01 178.57 1jfl h VAL 197 N 0.70 1.13 0.00 3.13 2.07 -1.54 -2.36 116.25 119.39 1jfl h VAL 197 Ca 0.30 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1jfl h VAL 197 Cb 0.27 0.64 -0.00 0.00 -1.52 0.00 0.00 31.29 30.68 1jfl h VAL 197 CO -0.10 0.14 -0.03 0.28 0.02 0.00 0.00 177.57 177.88 1jfl h SER 198 N 0.51 0.00 -0.31 0.57 0.02 -1.46 0.39 113.55 113.27 1jfl h SER 198 Ca 0.14 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 61.00 1jfl h SER 198 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1jfl h SER 198 CO -0.03 0.03 -0.17 0.58 -1.14 0.00 0.00 176.83 176.11 1jfl h VAL 199 N 0.00 1.29 0.00 2.27 2.07 -1.18 -3.35 116.25 117.35 1jfl h VAL 199 Ca -0.00 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.24 1jfl h VAL 199 Cb 0.27 1.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 1jfl h VAL 199 CO 0.00 0.41 -1.00 1.33 0.02 0.00 0.00 177.57 178.34 1jfl n VAL 200 N -4.37 0.00 -3.88 2.57 0.24 -1.11 -4.91 118.33 106.87 1jfl n VAL 200 Ca -0.03 -0.20 -0.35 0.00 -2.04 0.00 0.00 64.34 61.71 1jfl n VAL 200 Cb 0.39 0.76 -0.14 0.00 -1.47 0.00 0.00 33.84 33.38 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 -3.10 2.98 0.23 1.34 0.20 0.11 -4.82 118.68 115.61 1jfl s LEU 201 Ca 0.03 -0.36 0.10 0.00 0.69 0.00 0.00 54.13 54.58 1jfl s LEU 201 Cb 0.11 -1.77 -0.04 0.00 -0.43 0.00 0.00 46.19 44.06 1jfl s LEU 201 CO 0.63 -0.02 -0.09 -0.54 -0.29 0.00 0.00 176.35 176.04 1jfl s LYS 202 N 1.50 2.06 0.24 1.98 -0.14 -1.26 -4.47 119.74 119.65 1jfl s LYS 202 Ca 0.06 -1.41 -0.04 0.00 -1.36 0.00 0.00 55.97 53.22 1jfl s LYS 202 Cb -0.14 -2.09 0.46 0.00 -1.68 0.00 0.00 37.83 34.39 1jfl s LYS 202 CO -0.02 0.39 1.71 1.96 -0.76 0.00 0.00 175.35 178.63 1jfl h GLN 203 N 2.46 0.37 0.00 1.68 1.08 -1.95 0.12 115.11 118.87 1jfl h GLN 203 Ca -0.45 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.73 1jfl h GLN 203 Cb 1.23 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 1jfl h GLN 203 CO 0.57 0.24 0.00 -0.25 -0.95 0.00 0.00 178.83 178.44 1jfl n ASP 204 N -5.06 0.55 0.05 1.46 8.00 -1.26 -1.25 116.55 119.04 1jfl n ASP 204 Ca 0.14 0.73 0.13 0.00 0.71 0.00 0.00 54.79 56.50 1jfl n ASP 204 Cb 0.44 -0.81 0.36 0.00 -0.02 0.00 0.00 41.12 41.09 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 -2.21 0.53 -4.53 -2.24 8.00 0.41 -4.91 116.55 111.59 1jfl n ASP 205 Ca -0.01 0.28 -0.24 0.00 0.71 0.00 0.00 54.79 55.54 1jfl n ASP 205 Cb 0.06 -0.27 -0.09 0.00 -0.02 0.00 0.00 41.12 40.81 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 -3.80 2.80 0.00 0.64 1.43 -0.38 -5.01 118.68 114.36 1jfl s LEU 206 Ca 0.10 -0.89 0.24 0.00 -1.03 0.00 0.00 54.13 52.56 1jfl s LEU 206 Cb 0.15 -1.32 0.24 0.00 0.03 0.00 0.00 46.19 45.28 1jfl s LEU 206 CO 0.63 0.03 1.26 0.29 0.23 0.00 0.00 176.35 178.79 1jfl n LYS 207 N -0.69 1.71 -4.28 1.70 5.02 -1.26 -4.93 118.16 115.43 1jfl n LYS 207 Ca -0.06 -1.36 -0.16 0.00 -2.02 0.00 0.00 58.31 54.71 1jfl n LYS 207 Cb 0.59 -1.47 -0.10 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.23 1.37 0.34 -0.18 -7.23 -1.26 -5.11 120.40 106.10 1jfl s VAL 208 Ca 0.25 -2.08 -0.29 0.00 -1.81 0.00 0.00 61.98 58.05 1jfl s VAL 208 Cb 0.19 -1.88 -0.11 0.00 0.56 0.00 0.00 36.38 35.14 1jfl s VAL 208 CO 0.43 -0.67 1.51 -2.84 -0.31 0.00 0.00 175.10 173.21 1jfl s PRO 209 N -3.62 4.14 -0.29 4.82 0.02 -1.26 -4.76 135.00 134.05 1jfl s PRO 209 Ca 0.18 2.54 -0.11 0.00 0.02 0.00 0.00 61.00 63.62 1jfl s PRO 209 Cb 0.01 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.49 1jfl s PRO 209 CO 0.03 -0.54 0.20 -1.17 -0.33 0.00 0.00 177.00 175.19 1jfl s LEU 210 N -1.48 4.14 -0.23 -5.54 2.96 -1.26 -1.03 118.68 116.23 1jfl s LEU 210 Ca 0.56 -0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 54.29 1jfl s LEU 210 Cb -0.46 -2.12 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 1jfl s LEU 210 CO 0.57 -0.10 0.05 -0.63 -1.32 0.00 0.00 176.35 174.92 1jfl s ILE 211 N 1.75 4.17 -0.37 6.68 -1.09 0.61 -4.96 121.20 127.99 1jfl s ILE 211 Ca 0.07 -0.22 -0.09 0.00 -2.23 0.00 0.00 60.65 58.17 1jfl s ILE 211 Cb -0.16 -2.93 0.04 0.00 -1.58 0.00 0.00 42.46 37.83 1jfl s ILE 211 CO 0.11 0.37 0.19 -0.62 -1.23 0.00 0.00 174.94 173.75 1jfl s ASP 212 N 1.44 5.57 0.44 3.58 -1.08 -1.26 -0.77 116.67 124.59 1jfl s ASP 212 Ca 0.05 -1.17 0.20 0.00 -0.52 0.00 0.00 52.55 51.11 1jfl s ASP 212 Cb -0.15 -1.96 1.15 0.00 -1.46 0.00 0.00 42.92 40.50 1jfl s ASP 212 CO 0.02 -0.41 1.86 -0.65 0.52 0.00 0.00 175.17 176.52 1jfl h PRO 213 N 8.36 0.33 -0.26 4.34 0.11 -1.94 -0.11 132.00 142.82 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 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.11 1jfl h PRO 213 CO 0.67 0.22 -0.30 1.98 -0.21 0.00 0.00 178.00 180.35 1jfl h MET 214 N 0.34 0.53 -0.35 1.05 4.05 -1.93 -1.41 114.93 117.20 1jfl h MET 214 Ca 0.46 -0.22 -0.15 0.00 -0.28 0.00 0.00 59.70 59.51 1jfl h MET 214 Cb 1.24 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.01 1jfl h MET 214 CO -0.15 0.77 -0.37 -0.44 0.23 0.00 0.00 176.91 176.95 1jfl h ASP 215 N 0.46 0.87 0.16 1.39 3.32 -1.46 -1.37 116.42 119.78 1jfl h ASP 215 Ca 0.06 -0.39 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1jfl h ASP 215 Cb 0.75 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1jfl h ASP 215 CO 0.06 1.15 -0.08 0.58 -1.72 0.00 0.00 179.24 179.23 1jfl h VAL 216 N 0.68 0.89 -0.10 -1.35 2.07 -1.06 -0.62 116.25 116.77 1jfl h VAL 216 Ca 0.06 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 67.28 1jfl h VAL 216 Cb 0.94 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1jfl h VAL 216 CO 0.09 0.05 -0.30 -0.29 0.02 0.00 0.00 177.57 177.14 1jfl h ILE 217 N -0.32 1.25 -0.39 4.57 6.09 -1.27 -1.43 117.51 126.01 1jfl h ILE 217 Ca -0.02 -1.21 -0.02 0.00 -1.37 0.00 0.00 64.86 62.24 1jfl h ILE 217 Cb 0.25 1.52 -0.02 0.00 0.47 0.00 0.00 36.82 39.04 1jfl h ILE 217 CO 0.04 0.36 0.16 0.00 -3.07 0.00 0.00 178.15 175.64 1jfl h ALA 218 N 1.53 0.51 -0.54 0.18 0.00 -1.01 -0.32 119.26 119.60 1jfl h ALA 218 Ca 0.02 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 1jfl h ALA 218 Cb 0.62 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1jfl h ALA 218 CO 0.05 0.11 -0.02 0.93 0.00 0.00 0.00 179.25 180.32 1jfl h GLU 219 N 0.49 0.94 -0.35 0.00 5.08 -0.73 -1.91 114.58 118.10 1jfl h GLU 219 Ca 0.13 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 1jfl h GLU 219 Cb 0.18 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1jfl h GLU 219 CO -0.01 0.94 -0.10 0.28 -1.00 0.00 0.00 179.01 179.12 1jfl h VAL 220 N 0.87 1.28 -0.81 3.13 2.07 -1.09 -1.95 116.25 119.75 1jfl h VAL 220 Ca 0.16 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.50 1jfl h VAL 220 Cb 0.53 1.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1jfl h VAL 220 CO 0.03 0.39 0.50 0.00 0.02 0.00 0.00 177.57 178.50 1jfl h ALA 221 N 0.81 1.03 -0.37 1.67 0.00 -0.87 0.24 119.26 121.76 1jfl h ALA 221 Ca 0.09 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1jfl h ALA 221 Cb 0.61 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1jfl h ALA 221 CO 0.04 0.48 0.06 0.28 0.00 0.00 0.00 179.25 180.11 1jfl h VAL 222 N 1.10 1.24 0.16 0.00 2.07 -1.29 -0.25 116.25 119.27 1jfl h VAL 222 Ca 0.29 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1jfl h VAL 222 Cb -0.06 1.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.78 1jfl h VAL 222 CO -0.06 0.28 -0.10 0.50 0.02 0.00 0.00 177.57 178.22 1jfl h LYS 223 N 0.45 -0.23 -0.78 1.57 3.64 -0.93 -1.09 116.57 119.19 1jfl h LYS 223 Ca 0.11 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.47 1jfl h LYS 223 Cb 0.36 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 1jfl h LYS 223 CO 0.01 -0.16 0.35 0.28 -2.27 0.00 0.00 179.45 177.66 1jfl h VAL 224 N -0.24 1.25 -0.29 2.00 2.07 -0.92 0.70 116.25 120.82 1jfl h VAL 224 Ca -0.01 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 1jfl h VAL 224 Cb 0.20 0.28 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1jfl h VAL 224 CO 0.01 0.31 -0.18 0.00 0.02 0.00 0.00 177.57 177.73 1jfl h ALA 225 N 1.26 1.14 0.00 1.67 0.00 -0.81 -3.27 119.26 119.25 1jfl h ALA 225 Ca 0.27 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jfl h ALA 225 Cb 0.15 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1jfl h ALA 225 CO -0.03 0.54 -1.77 1.28 0.00 0.00 0.00 179.25 179.27 1jfl n LEU 226 N -4.16 0.16 -4.62 0.00 4.77 -0.43 -0.12 117.00 112.60 1jfl n LEU 226 Ca 0.00 -0.08 -0.30 0.00 -0.03 0.00 0.00 56.01 55.60 1jfl n LEU 226 Cb 0.37 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.68 1jfl n LEU 226 CO 0.41 0.04 0.62 -1.83 -1.33 0.00 0.00 177.39 175.31 1jfl s GLU 227 N -3.33 -0.73 0.00 3.23 -1.05 0.24 -4.87 118.70 112.18 1jfl s GLU 227 Ca -0.05 0.12 0.00 0.00 -0.15 0.00 0.00 54.97 54.89 1jfl s GLU 227 Cb 0.13 -1.64 0.00 0.00 -0.44 0.00 0.00 34.13 32.19 1jfl s GLU 227 CO 0.85 -3.43 0.00 1.63 0.95 0.00 0.00 175.26 175.26