#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jfu s GLY 6 N 0.00 1.63 -0.08 3.41 0.00 -1.25 -4.97 107.32 106.05 1jfu s GLY 6 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 44.72 43.49 1jfu s GLY 6 CO 0.00 -0.12 1.56 -0.35 0.00 0.00 0.00 173.10 174.19 1jfu s ASP 7 N -4.11 6.73 0.31 1.64 -1.08 -1.26 -4.90 116.67 114.01 1jfu s ASP 7 Ca 0.71 2.10 0.22 0.00 -0.52 0.00 0.00 52.55 55.06 1jfu s ASP 7 Cb -0.09 -2.53 1.15 0.00 -1.46 0.00 0.00 42.92 39.98 1jfu s ASP 7 CO 0.55 -0.89 1.68 -0.81 0.52 0.00 0.00 175.17 176.22 1jfu n PRO 8 N 7.01 0.15 0.10 4.34 -0.04 -1.26 -0.59 135.00 144.72 1jfu n PRO 8 Ca 0.16 0.59 0.09 0.00 -0.04 0.00 0.00 63.50 64.31 1jfu n PRO 8 Cb 0.43 -1.95 0.42 0.00 -0.04 0.00 0.00 33.50 32.36 1jfu n PRO 8 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jfu n ALA 9 N -1.78 1.41 -0.39 0.55 0.00 -1.26 -2.75 120.51 116.29 1jfu n ALA 9 Ca -0.01 0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.62 1jfu n ALA 9 Cb 0.08 -1.29 0.33 0.00 0.00 0.00 0.00 19.45 18.57 1jfu n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jfu h ARG 11 N 4.27 0.66 -0.27 0.00 3.08 -1.69 -2.53 114.38 117.91 1jfu h ARG 11 Ca 0.00 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.68 1jfu h ARG 11 Cb 1.08 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.10 1jfu h ARG 11 CO 0.04 0.89 -0.15 0.00 -1.07 0.00 0.00 179.97 179.69 1jfu h ALA 12 N 1.09 1.24 -0.78 0.04 0.00 -1.84 -1.87 119.26 117.15 1jfu h ALA 12 Ca 0.07 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1jfu h ALA 12 Cb 0.81 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1jfu h ALA 12 CO 0.07 0.49 0.45 0.00 0.00 0.00 0.00 179.25 180.26 1jfu h ALA 13 N 1.42 1.00 -0.58 0.00 0.00 -1.75 -0.20 119.26 119.15 1jfu h ALA 13 Ca 0.08 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1jfu h ALA 13 Cb 0.51 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1jfu h ALA 13 CO 0.03 0.49 0.24 0.28 0.00 0.00 0.00 179.25 180.29 1jfu h VAL 14 N 1.08 1.22 -0.91 0.00 2.07 -1.20 -0.67 116.25 117.85 1jfu h VAL 14 Ca 0.28 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 1jfu h VAL 14 Cb 0.00 0.60 -0.04 0.00 -1.52 0.00 0.00 31.29 30.32 1jfu h VAL 14 CO -0.05 0.27 0.51 0.00 0.02 0.00 0.00 177.57 178.32 1jfu h ALA 15 N 1.08 1.19 -0.41 1.67 0.00 -0.86 -0.25 119.26 121.68 1jfu h ALA 15 Ca 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jfu h ALA 15 Cb 0.20 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1jfu h ALA 15 CO -0.02 0.66 0.25 1.15 0.00 0.00 0.00 179.25 181.29 1jfu h THR 16 N 1.27 1.13 -0.67 0.00 2.02 -0.80 -0.93 112.91 114.94 1jfu h THR 16 Ca 0.32 -0.31 0.02 0.00 0.77 0.00 0.00 66.41 67.21 1jfu h THR 16 Cb 0.01 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 1jfu h THR 16 CO -0.05 0.14 0.43 0.00 0.37 0.00 0.00 175.52 176.40 1jfu h ALA 17 N 1.11 0.86 -0.60 6.16 0.00 -0.51 -1.37 119.26 124.92 1jfu h ALA 17 Ca 0.15 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1jfu h ALA 17 Cb 0.00 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1jfu h ALA 17 CO -0.03 0.22 0.12 1.96 0.00 0.00 0.00 179.25 181.52 1jfu h GLN 18 N 0.85 0.94 -0.48 0.00 4.20 -0.78 -0.83 115.11 119.02 1jfu h GLN 18 Ca 0.26 -0.22 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 1jfu h GLN 18 Cb -0.03 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 27.60 1jfu h GLN 18 CO -0.09 0.86 0.02 -0.22 -0.67 0.00 0.00 178.83 178.73 1jfu h LYS 19 N 0.90 0.78 -0.01 1.46 3.64 -0.32 -3.16 116.57 119.86 1jfu h LYS 19 Ca 0.19 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 1jfu h LYS 19 Cb 0.36 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1jfu h LYS 19 CO 0.00 0.78 -0.58 0.44 -2.27 0.00 0.00 179.45 177.82 1jfu n ILE 20 N -4.23 0.00 -0.30 2.00 -5.35 -0.60 -4.49 119.36 106.40 1jfu n ILE 20 Ca 0.03 -0.15 0.14 0.00 -0.27 0.00 0.00 62.75 62.49 1jfu n ILE 20 Cb 0.29 0.98 0.30 0.00 -1.74 0.00 0.00 39.64 39.47 1jfu n ILE 20 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1jfu h ALA 21 N 3.56 1.29 -0.01 -1.28 0.00 -1.12 0.28 119.26 121.98 1jfu h ALA 21 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jfu h ALA 21 Cb 0.63 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1jfu h ALA 21 CO 0.00 -0.49 0.03 -1.35 0.00 0.00 0.00 179.25 177.43 1jfu h PRO 22 N 0.18 0.00 -0.00 0.00 0.11 -1.81 -0.93 132.00 129.55 1jfu h PRO 22 Ca 0.56 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.67 1jfu h PRO 22 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1jfu h PRO 22 CO -0.68 0.00 -0.15 1.28 -0.21 0.00 0.00 178.00 178.23 1jfu n LEU 23 N -3.54 0.24 -4.50 2.35 4.77 0.98 -4.47 117.00 112.83 1jfu n LEU 23 Ca -0.03 0.24 -0.44 0.00 -0.03 0.00 0.00 56.01 55.76 1jfu n LEU 23 Cb 0.10 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1jfu n LEU 23 CO 0.24 0.05 1.67 0.00 -1.33 0.00 0.00 177.39 178.03 1jfu n ALA 24 N -1.36 3.76 -3.91 -1.18 0.00 -0.35 -4.82 120.51 112.65 1jfu n ALA 24 Ca 0.09 -4.07 -0.15 0.00 0.00 0.00 0.00 53.44 49.31 1jfu n ALA 24 Cb 0.32 -3.30 -0.04 0.00 0.00 0.00 0.00 19.45 16.42 1jfu n ALA 24 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 1jfu n HIS 25 N 6.84 -0.91 0.00 0.00 1.44 -1.26 -4.32 115.22 117.01 1jfu n HIS 25 Ca 0.42 -2.05 0.00 0.00 -2.01 0.00 0.00 57.72 54.08 1jfu n HIS 25 Cb 0.44 0.33 0.00 0.00 0.12 0.00 0.00 29.99 30.88 1jfu n HIS 25 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1jfu n GLY 26 N -0.48 3.44 0.31 -1.39 0.00 -1.26 -1.55 105.19 104.26 1jfu n GLY 26 Ca 0.04 0.02 0.17 0.00 0.00 0.00 0.00 46.02 46.24 1jfu n GLY 26 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jfu h GLU 27 N 0.00 0.00 -0.15 1.61 4.39 -1.96 -2.11 114.58 116.36 1jfu h GLU 27 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1jfu h GLU 27 Cb 0.00 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 1jfu h GLU 27 CO 0.00 0.00 -0.25 1.33 -1.16 0.00 0.00 179.01 178.93 1jfu n VAL 28 N -3.69 2.31 0.28 3.13 0.24 -0.59 -4.36 118.33 115.63 1jfu n VAL 28 Ca -0.03 -2.86 0.17 0.00 -2.04 0.00 0.00 64.34 59.58 1jfu n VAL 28 Cb 0.10 -0.27 0.69 0.00 -1.47 0.00 0.00 33.84 32.89 1jfu n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jfu h ALA 29 N 0.93 1.01 -0.00 2.33 0.00 -1.17 -2.36 119.26 120.00 1jfu h ALA 29 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1jfu h ALA 29 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1jfu h ALA 29 CO 0.16 0.02 -0.02 0.00 0.00 0.00 0.00 179.25 179.41 1jfu n ALA 30 N -2.10 2.66 -2.44 0.00 0.00 -1.26 -4.78 120.51 112.58 1jfu n ALA 30 Ca 0.00 -0.26 -0.43 0.00 0.00 0.00 0.00 53.44 52.76 1jfu n ALA 30 Cb 0.30 -1.41 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 1jfu n ALA 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1jfu s LEU 31 N -2.15 4.23 -0.28 0.00 1.43 -0.89 -4.51 118.68 116.52 1jfu s LEU 31 Ca 0.40 1.75 -0.11 0.00 -1.03 0.00 0.00 54.13 55.14 1jfu s LEU 31 Cb 0.21 -3.55 -0.05 0.00 0.03 0.00 0.00 46.19 42.83 1jfu s LEU 31 CO 0.39 -0.67 0.19 -0.89 0.23 0.00 0.00 176.35 175.60 1jfu s THR 32 N 2.85 5.30 0.43 5.49 2.01 -0.33 -4.92 115.64 126.47 1jfu s THR 32 Ca 0.55 0.17 -0.24 0.00 0.31 0.00 0.00 61.69 62.48 1jfu s THR 32 Cb -0.23 -3.52 -0.08 0.00 0.01 0.00 0.00 72.50 68.68 1jfu s THR 32 CO 0.18 0.26 1.16 -0.04 -0.69 0.00 0.00 174.62 175.49 1jfu s MET 33 N 1.69 3.93 0.42 4.92 1.00 -1.26 -1.73 119.30 128.27 1jfu s MET 33 Ca 0.07 1.80 -0.26 0.00 0.00 0.00 0.00 55.69 57.30 1jfu s MET 33 Cb -0.16 -2.55 -0.08 0.00 0.00 0.00 0.00 34.83 32.04 1jfu s MET 33 CO 0.10 -0.42 1.33 0.00 0.00 0.00 0.00 175.02 176.04 1jfu s ALA 34 N -1.48 3.23 0.00 3.03 0.00 0.71 -4.91 121.76 122.34 1jfu s ALA 34 Ca 0.60 1.28 0.00 0.00 0.00 0.00 0.00 51.96 53.84 1jfu s ALA 34 Cb -0.29 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1jfu s ALA 34 CO 0.36 -0.93 0.27 -1.13 0.00 0.00 0.00 175.76 174.33 1jfu n SER 35 N -0.02 0.54 -4.02 0.00 3.41 -1.26 -4.73 113.62 107.54 1jfu n SER 35 Ca 0.04 -0.78 -0.08 0.00 -0.26 0.00 0.00 58.87 57.79 1jfu n SER 35 Cb 0.43 0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 64.64 1jfu n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jfu s ALA 36 N -0.37 0.25 0.13 7.33 0.00 -1.26 -5.10 121.76 122.74 1jfu s ALA 36 Ca 0.00 -0.81 -0.31 0.00 0.00 0.00 0.00 51.96 50.84 1jfu s ALA 36 Cb 0.00 0.20 -0.10 0.00 0.00 0.00 0.00 23.12 23.22 1jfu s ALA 36 CO 0.00 -0.24 1.63 -2.14 0.00 0.00 0.00 175.76 175.01 1jfu s PRO 37 N -2.39 4.20 -0.19 0.00 0.02 -1.26 -4.88 135.00 130.49 1jfu s PRO 37 Ca -0.07 2.38 -0.04 0.00 0.02 0.00 0.00 61.00 63.29 1jfu s PRO 37 Cb -0.03 -3.35 0.09 0.00 0.02 0.00 0.00 34.50 31.23 1jfu s PRO 37 CO -0.04 -0.68 0.21 -1.17 -0.33 0.00 0.00 177.00 174.99 1jfu s LEU 38 N 1.82 -0.08 -0.21 -5.54 2.96 -1.26 -3.96 118.68 112.40 1jfu s LEU 38 Ca 0.73 -0.19 -0.27 0.00 -0.22 0.00 0.00 54.13 54.18 1jfu s LEU 38 Cb -0.43 0.34 -0.00 0.00 0.50 0.00 0.00 46.19 46.60 1jfu s LEU 38 CO 0.32 -0.32 0.92 -0.75 -1.32 0.00 0.00 176.35 175.20 1jfu s LYS 39 N 2.31 4.26 0.69 1.98 2.47 -1.26 -0.61 119.74 129.58 1jfu s LYS 39 Ca 0.06 1.15 -0.14 0.00 -1.56 0.00 0.00 55.97 55.47 1jfu s LYS 39 Cb -0.15 -3.62 0.02 0.00 -1.46 0.00 0.00 37.83 32.62 1jfu s LYS 39 CO -0.11 -0.49 1.13 -0.51 0.16 0.00 0.00 175.35 175.53 1jfu s LEU 40 N 2.72 3.32 0.60 5.43 1.02 -0.77 -4.96 118.68 126.04 1jfu s LEU 40 Ca 0.40 2.07 -0.20 0.00 0.02 0.00 0.00 54.13 56.42 1jfu s LEU 40 Cb -0.16 -4.56 -0.03 0.00 0.02 0.00 0.00 46.19 41.47 1jfu s LEU 40 CO 0.09 -1.86 1.33 -2.16 0.02 0.00 0.00 176.35 173.77 1jfu s PRO 41 N -4.14 2.84 -1.27 1.29 0.04 -1.26 -4.85 135.00 127.66 1jfu s PRO 41 Ca 0.68 2.17 -0.19 0.00 0.04 0.00 0.00 61.00 63.70 1jfu s PRO 41 Cb -0.22 -2.05 0.07 0.00 0.04 0.00 0.00 34.50 32.33 1jfu s PRO 41 CO 0.44 -1.41 1.70 0.34 0.04 0.00 0.00 177.00 178.12 1jfu s ASP 42 N -1.15 6.80 0.22 6.66 2.15 -1.26 -4.91 116.67 125.18 1jfu s ASP 42 Ca 0.77 -2.34 -0.31 0.00 0.43 0.00 0.00 52.55 51.10 1jfu s ASP 42 Cb -0.39 -2.58 -0.15 0.00 -0.30 0.00 0.00 42.92 39.50 1jfu s ASP 42 CO 0.44 -1.21 1.16 0.18 -0.17 0.00 0.00 175.17 175.57 1jfu n LEU 43 N 8.43 1.84 -4.35 -1.34 4.77 -1.26 -4.61 117.00 120.49 1jfu n LEU 43 Ca 0.47 1.15 -0.33 0.00 -0.03 0.00 0.00 56.01 57.27 1jfu n LEU 43 Cb 0.47 -1.27 -0.14 0.00 -2.33 0.00 0.00 43.42 40.14 1jfu n LEU 43 CO 0.76 -1.20 -0.44 0.00 -1.33 0.00 0.00 177.39 175.17 1jfu s ALA 44 N -0.41 2.63 0.26 -1.18 0.00 -1.26 -1.15 121.76 120.65 1jfu s ALA 44 Ca 0.68 -0.94 -0.04 0.00 0.00 0.00 0.00 51.96 51.66 1jfu s ALA 44 Cb -0.78 -1.28 0.02 0.00 0.00 0.00 0.00 23.12 21.08 1jfu s ALA 44 CO 0.54 0.13 0.41 1.97 0.00 0.00 0.00 175.76 178.80 1jfu n PHE 45 N 3.75 -1.38 -4.40 0.00 -1.74 -0.50 -4.76 117.46 108.43 1jfu n PHE 45 Ca -0.18 -1.59 -0.25 0.00 -0.56 0.00 0.00 57.45 54.86 1jfu n PHE 45 Cb 0.52 0.47 -0.10 0.00 1.52 0.00 0.00 39.48 41.89 1jfu n PHE 45 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1jfu s GLU 46 N -2.44 1.78 0.33 3.97 8.01 0.10 -0.02 118.70 130.44 1jfu s GLU 46 Ca 0.18 -1.57 -0.01 0.00 0.01 0.00 0.00 54.97 53.58 1jfu s GLU 46 Cb -0.01 -1.91 0.07 0.00 -4.31 0.00 0.00 34.13 27.96 1jfu s GLU 46 CO 0.13 0.37 0.46 -0.40 0.01 0.00 0.00 175.26 175.83 1jfu n ASP 47 N -0.30 0.51 0.32 -0.19 5.68 -0.36 -1.02 116.55 121.18 1jfu n ASP 47 Ca -0.08 -1.45 0.19 0.00 -0.50 0.00 0.00 54.79 52.94 1jfu n ASP 47 Cb 0.58 -0.31 1.05 0.00 -1.14 0.00 0.00 41.12 41.31 1jfu n ASP 47 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1jfu h ALA 48 N -0.72 1.21 -0.53 2.12 0.00 -1.74 -1.67 119.26 117.93 1jfu h ALA 48 Ca -0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1jfu h ALA 48 Cb 0.53 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1jfu h ALA 48 CO 0.15 0.01 0.00 -0.25 0.00 0.00 0.00 179.25 179.16 1jfu n ASP 49 N -3.40 4.31 -0.03 0.00 8.00 -1.26 -4.94 116.55 119.24 1jfu n ASP 49 Ca -0.03 -2.48 -0.00 0.00 0.71 0.00 0.00 54.79 52.99 1jfu n ASP 49 Cb 0.10 -0.51 -0.00 0.00 -0.02 0.00 0.00 41.12 40.68 1jfu n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jfu n GLY 50 N 0.72 0.44 3.73 0.44 0.00 -0.63 -5.01 105.19 104.88 1jfu n GLY 50 Ca 0.23 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1jfu n GLY 50 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jfu s LYS 51 N -0.53 4.65 0.29 1.61 2.20 -1.26 -4.74 119.74 121.95 1jfu s LYS 51 Ca 0.00 1.41 -0.30 0.00 -0.36 0.00 0.00 55.97 56.72 1jfu s LYS 51 Cb 0.00 -3.39 -0.11 0.00 -1.51 0.00 0.00 37.83 32.82 1jfu s LYS 51 CO 0.00 0.17 1.54 -2.14 -0.36 0.00 0.00 175.35 174.56 1jfu s PRO 52 N 0.19 4.17 0.15 4.03 0.02 -1.26 -1.23 135.00 141.07 1jfu s PRO 52 Ca 0.47 2.49 0.06 0.00 0.02 0.00 0.00 61.00 64.05 1jfu s PRO 52 Cb -0.23 -3.04 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 1jfu s PRO 52 CO 0.29 -0.56 -0.13 0.15 -0.33 0.00 0.00 177.00 176.42 1jfu s LYS 53 N -0.61 1.12 0.06 5.54 -0.14 0.97 -4.89 119.74 121.79 1jfu s LYS 53 Ca 0.61 -1.38 0.01 0.00 -1.36 0.00 0.00 55.97 53.85 1jfu s LYS 53 Cb -0.46 -0.92 -0.03 0.00 -1.68 0.00 0.00 37.83 34.74 1jfu s LYS 53 CO 0.48 0.16 -0.06 0.15 -0.76 0.00 0.00 175.35 175.31 1jfu s LYS 54 N -3.17 0.61 0.30 1.68 1.02 -1.26 -1.41 119.74 117.52 1jfu s LYS 54 Ca 0.14 -0.98 0.05 0.00 0.02 0.00 0.00 55.97 55.21 1jfu s LYS 54 Cb -0.02 -0.16 0.70 0.00 -0.52 0.00 0.00 37.83 37.83 1jfu s LYS 54 CO 0.04 -0.00 1.80 1.25 -0.92 0.00 0.00 175.35 177.51 1jfu h LEU 55 N 3.88 0.81 -0.94 3.17 5.85 -1.39 0.16 115.31 126.86 1jfu h LEU 55 Ca -0.35 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.45 1jfu h LEU 55 Cb 1.18 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.14 1jfu h LEU 55 CO 0.51 0.34 0.00 -1.54 -0.34 0.00 0.00 178.44 177.41 1jfu n SER 56 N -4.70 0.66 0.30 1.25 3.41 -1.26 -1.23 113.62 112.04 1jfu n SER 56 Ca 0.22 0.70 0.18 0.00 -0.26 0.00 0.00 58.87 59.70 1jfu n SER 56 Cb 0.51 -0.82 0.91 0.00 -0.26 0.00 0.00 64.21 64.54 1jfu n SER 56 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1jfu h ASP 57 N 0.00 0.00 -0.33 4.04 3.32 -1.36 -2.58 116.42 119.51 1jfu h ASP 57 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jfu h ASP 57 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1jfu h ASP 57 CO 0.00 0.04 0.00 0.49 -1.72 0.00 0.00 179.24 178.05 1jfu n PHE 58 N -3.32 0.42 -1.66 4.55 3.01 -0.36 -4.98 117.46 115.12 1jfu n PHE 58 Ca -0.02 -0.22 -0.41 0.00 1.01 0.00 0.00 57.45 57.82 1jfu n PHE 58 Cb 0.19 -0.00 0.02 0.00 -0.01 0.00 0.00 39.48 39.67 1jfu n PHE 58 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 1jfu n ARG 59 N 1.45 1.55 0.00 -1.08 1.85 -0.98 -2.44 116.66 117.01 1jfu n ARG 59 Ca 0.18 0.56 0.00 0.00 -1.00 0.00 0.00 57.85 57.59 1jfu n ARG 59 Cb 0.60 -2.23 0.00 0.00 -1.05 0.00 0.00 32.46 29.78 1jfu n ARG 59 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1jfu n GLY 60 N 1.02 3.13 3.57 2.89 0.00 0.04 -5.05 105.19 110.78 1jfu n GLY 60 Ca 0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 1jfu n GLY 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfu s LYS 61 N -0.79 2.05 0.26 1.61 1.02 -1.02 -4.81 119.74 118.06 1jfu s LYS 61 Ca 0.00 -1.32 -0.23 0.00 0.02 0.00 0.00 55.97 54.44 1jfu s LYS 61 Cb 0.00 -2.13 -0.09 0.00 -0.52 0.00 0.00 37.83 35.09 1jfu s LYS 61 CO 0.00 0.42 0.83 0.99 -0.92 0.00 0.00 175.35 176.67 1jfu s THR 62 N -1.81 4.38 0.05 2.17 2.01 -0.23 -2.92 115.64 119.29 1jfu s THR 62 Ca 0.26 1.58 0.02 0.00 0.31 0.00 0.00 61.69 63.86 1jfu s THR 62 Cb -0.08 -3.96 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 1jfu s THR 62 CO 0.15 0.21 -0.07 -0.76 -0.69 0.00 0.00 174.62 173.46 1jfu s LEU 63 N -1.92 2.31 -0.32 4.42 1.43 -0.08 -2.44 118.68 122.08 1jfu s LEU 63 Ca 0.46 -0.65 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 1jfu s LEU 63 Cb -0.18 -0.14 0.03 0.00 0.03 0.00 0.00 46.19 45.94 1jfu s LEU 63 CO 0.23 -0.26 0.07 -0.22 0.23 0.00 0.00 176.35 176.39 1jfu s LEU 64 N -1.89 4.05 -0.26 1.79 2.96 -0.83 -0.38 118.68 124.13 1jfu s LEU 64 Ca -0.06 -1.06 -0.16 0.00 -0.22 0.00 0.00 54.13 52.64 1jfu s LEU 64 Cb -0.07 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.76 1jfu s LEU 64 CO -0.01 -0.27 0.40 -0.69 -1.32 0.00 0.00 176.35 174.47 1jfu s VAL 65 N 1.39 5.16 0.02 1.68 1.01 0.31 -0.12 120.40 129.84 1jfu s VAL 65 Ca -0.01 0.65 0.08 0.00 0.00 0.00 0.00 61.98 62.69 1jfu s VAL 65 Cb -0.19 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1jfu s VAL 65 CO 0.01 0.15 -0.23 0.21 0.00 0.00 0.00 175.10 175.24 1jfu s ASN 66 N 1.57 3.35 -0.14 3.32 3.84 -0.19 -0.37 114.94 126.31 1jfu s ASN 66 Ca 0.17 -0.48 -0.02 0.00 0.21 0.00 0.00 52.86 52.73 1jfu s ASN 66 Cb -0.16 -0.42 -0.02 0.00 -0.55 0.00 0.00 41.25 40.10 1jfu s ASN 66 CO 0.10 0.28 -0.08 -0.76 -2.79 0.00 0.00 177.10 173.85 1jfu s LEU 67 N -1.05 3.02 0.11 3.21 1.43 0.03 -0.58 118.68 124.85 1jfu s LEU 67 Ca 0.12 -0.21 -0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1jfu s LEU 67 Cb -0.10 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 1jfu s LEU 67 CO 0.02 0.17 0.06 -1.66 0.23 0.00 0.00 176.35 175.16 1jfu s TRP 68 N 0.35 0.73 -0.00 0.29 1.48 -0.82 -3.41 118.94 117.55 1jfu s TRP 68 Ca -0.07 -1.14 -0.23 0.00 -1.06 0.00 0.00 56.10 53.60 1jfu s TRP 68 Cb -0.15 -0.41 0.05 0.00 -1.16 0.00 0.00 33.47 31.79 1jfu s TRP 68 CO 0.04 -0.50 0.51 0.00 -4.06 0.00 0.00 176.95 172.93 1jfu s ALA 69 N -4.01 -1.29 0.30 2.67 0.00 -1.26 -0.63 121.76 117.53 1jfu s ALA 69 Ca 0.19 0.73 0.27 0.00 0.00 0.00 0.00 51.96 53.15 1jfu s ALA 69 Cb 0.07 0.17 1.27 0.00 0.00 0.00 0.00 23.12 24.63 1jfu s ALA 69 CO -0.01 -0.39 1.98 1.79 0.00 0.00 0.00 175.76 179.13 1jfu h THR 70 N 3.16 0.53 -0.00 0.00 1.35 -1.96 -1.93 112.91 114.06 1jfu h THR 70 Ca -0.29 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1jfu h THR 70 Cb 1.18 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 1jfu h THR 70 CO 0.40 0.15 -0.01 -2.67 -0.25 0.00 0.00 175.52 173.15 1jfu n TRP 71 N -3.51 0.00 -3.36 4.73 4.27 -1.26 -4.72 117.44 113.60 1jfu n TRP 71 Ca -0.01 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 53.17 1jfu n TRP 71 Cb 0.31 -0.18 -0.08 0.00 -1.36 0.00 0.00 31.31 29.99 1jfu n TRP 71 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1jfu h VAL 73 N 5.72 0.94 0.00 0.00 2.07 -1.85 -1.35 116.25 121.78 1jfu h VAL 73 Ca -0.27 -0.23 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 1jfu h VAL 73 Cb 1.11 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1jfu h VAL 73 CO 0.82 0.06 -0.18 1.55 0.02 0.00 0.00 177.57 179.84 1jfu h PRO 74 N -0.27 0.00 -0.14 1.57 0.13 -1.94 -2.56 132.00 128.78 1jfu h PRO 74 Ca -0.02 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.10 1jfu h PRO 74 Cb 0.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.35 1jfu h PRO 74 CO 0.03 0.18 0.02 0.00 -0.23 0.00 0.00 178.00 177.99 1jfu h ARG 76 N 0.01 1.02 0.00 0.00 3.08 -0.92 -2.00 114.38 115.56 1jfu h ARG 76 Ca 0.04 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 59.97 1jfu h ARG 76 Cb 0.31 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1jfu h ARG 76 CO 0.00 0.67 -0.31 0.87 -1.07 0.00 0.00 179.97 180.14 1jfu h LYS 77 N 1.05 0.00 -0.01 0.04 1.57 -1.28 -3.01 116.57 114.93 1jfu h LYS 77 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 1jfu h LYS 77 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1jfu h LYS 77 CO -0.20 0.31 -0.48 -0.85 -0.57 0.00 0.00 179.45 177.65 1jfu n GLU 78 N -3.92 0.91 -0.30 3.15 0.28 -0.79 -4.37 120.64 115.61 1jfu n GLU 78 Ca -0.02 -0.70 0.00 0.00 -0.16 0.00 0.00 57.16 56.28 1jfu n GLU 78 Cb 0.38 -1.49 0.13 0.00 1.43 0.00 0.00 31.44 31.89 1jfu n GLU 78 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 1jfu h MET 79 N 1.72 0.91 -0.91 3.44 2.86 -1.32 -1.74 114.93 119.89 1jfu h MET 79 Ca 0.00 -0.05 0.06 0.00 -2.06 0.00 0.00 59.70 57.64 1jfu h MET 79 Cb 0.65 -0.21 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 1jfu h MET 79 CO 0.00 0.60 0.59 -1.35 1.06 0.00 0.00 176.91 177.81 1jfu h PRO 80 N 0.94 1.02 -0.65 -0.22 0.11 -1.79 -0.89 132.00 130.52 1jfu h PRO 80 Ca 0.36 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.33 1jfu h PRO 80 Cb 0.15 -0.23 -0.03 0.00 0.11 0.00 0.00 31.00 31.00 1jfu h PRO 80 CO -0.17 0.68 0.11 0.00 -0.21 0.00 0.00 178.00 178.41 1jfu h ALA 81 N 1.50 0.96 -0.56 -0.75 0.00 -1.63 -0.08 119.26 118.70 1jfu h ALA 81 Ca 0.38 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1jfu h ALA 81 Cb 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1jfu h ALA 81 CO -0.14 0.65 -0.10 -0.07 0.00 0.00 0.00 179.25 179.59 1jfu h LEU 82 N 1.00 1.05 -0.84 0.00 3.38 -0.60 -0.11 115.31 119.19 1jfu h LEU 82 Ca 0.20 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1jfu h LEU 82 Cb 0.42 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 1jfu h LEU 82 CO 0.01 1.15 0.33 -0.78 0.09 0.00 0.00 178.44 179.24 1jfu h ASP 83 N 0.93 1.09 -0.44 -0.43 3.58 -0.93 -0.04 116.42 120.18 1jfu h ASP 83 Ca 0.14 -0.16 -0.14 0.00 0.42 0.00 0.00 57.03 57.29 1jfu h ASP 83 Cb 0.67 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.43 1jfu h ASP 83 CO 0.05 0.95 -0.29 -0.08 -2.88 0.00 0.00 179.24 177.00 1jfu h GLU 84 N 1.16 0.97 -0.49 0.28 4.81 -0.62 -1.30 114.58 119.39 1jfu h GLU 84 Ca 0.27 -0.45 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 1jfu h GLU 84 Cb 0.20 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 1jfu h GLU 84 CO -0.02 1.12 0.23 1.25 -0.73 0.00 0.00 179.01 180.86 1jfu h LEU 85 N 0.82 0.64 -0.73 1.64 5.85 -0.74 -0.94 115.31 121.85 1jfu h LEU 85 Ca 0.09 -0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.79 1jfu h LEU 85 Cb 0.87 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 1jfu h LEU 85 CO 0.08 0.60 0.35 -0.61 -0.34 0.00 0.00 178.44 178.51 1jfu h GLN 86 N 0.65 0.55 0.00 1.25 5.75 -0.71 -0.76 115.11 121.84 1jfu h GLN 86 Ca 0.17 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.54 1jfu h GLN 86 Cb 0.13 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.54 1jfu h GLN 86 CO -0.02 0.36 -0.45 0.78 -2.65 0.00 0.00 178.83 176.86 1jfu h GLY 87 N 0.57 0.00 1.55 2.39 0.00 -0.49 -0.41 103.07 106.68 1jfu h GLY 87 Ca 0.37 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.43 1jfu h GLY 87 CO -0.31 0.00 -1.31 0.50 0.00 0.00 0.00 176.54 175.43 1jfu h LYS 88 N 0.00 0.23 0.00 4.80 1.79 -0.36 -3.42 116.57 119.61 1jfu h LYS 88 Ca -0.00 -0.40 0.00 0.00 -2.18 0.00 0.00 60.65 58.06 1jfu h LYS 88 Cb 0.92 0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1jfu h LYS 88 CO 0.06 1.15 -0.35 1.28 -1.08 0.00 0.00 179.45 180.51 1jfu n LEU 89 N -3.48 0.00 -4.70 2.94 4.77 -0.37 -5.05 117.00 111.11 1jfu n LEU 89 Ca -0.10 -0.26 -0.43 0.00 -0.03 0.00 0.00 56.01 55.19 1jfu n LEU 89 Cb 1.02 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 42.09 1jfu n LEU 89 CO 0.52 0.00 1.10 -0.24 -1.33 0.00 0.00 177.39 177.44 1jfu n SER 90 N -1.05 3.20 0.00 -1.43 2.88 -0.17 -4.55 113.62 112.51 1jfu n SER 90 Ca 0.00 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1jfu n SER 90 Cb 0.00 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 61.96 1jfu n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jfu n GLY 91 N 2.06 -1.02 0.34 0.46 0.00 0.11 -4.96 105.19 102.18 1jfu n GLY 91 Ca 0.10 -0.80 0.17 0.00 0.00 0.00 0.00 46.02 45.49 1jfu n GLY 91 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jfu h PRO 92 N 0.00 0.00 -0.01 1.61 0.11 -2.02 -2.88 132.00 128.82 1jfu h PRO 92 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1jfu h PRO 92 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1jfu h PRO 92 CO 0.00 0.00 -0.14 0.09 -0.21 0.00 0.00 178.00 177.74 1jfu n ASN 93 N -3.66 1.22 -3.70 -2.05 5.03 -1.26 -4.78 115.26 106.06 1jfu n ASN 93 Ca 0.01 -1.11 -0.14 0.00 0.87 0.00 0.00 54.58 54.21 1jfu n ASN 93 Cb 0.30 0.38 -0.08 0.00 -1.02 0.00 0.00 39.78 39.35 1jfu n ASN 93 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.26 175.55 1jfu s PHE 94 N -1.11 -0.39 -0.11 3.10 5.36 -1.09 -1.06 117.98 122.68 1jfu s PHE 94 Ca 0.07 0.80 -0.21 0.00 -0.96 0.00 0.00 56.93 56.63 1jfu s PHE 94 Cb 0.07 0.18 0.05 0.00 -0.34 0.00 0.00 43.02 42.98 1jfu s PHE 94 CO 0.19 -0.37 0.51 -1.21 -1.46 0.00 0.00 175.22 172.88 1jfu s GLU 95 N -0.69 0.75 -0.13 10.12 2.02 -1.02 -0.71 118.70 129.03 1jfu s GLU 95 Ca -0.08 0.35 -0.20 0.00 0.02 0.00 0.00 54.97 55.06 1jfu s GLU 95 Cb -0.03 0.35 -0.04 0.00 0.10 0.00 0.00 34.13 34.51 1jfu s GLU 95 CO 0.04 -0.17 0.57 0.08 0.02 0.00 0.00 175.26 175.80 1jfu s VAL 96 N -0.56 5.11 -0.52 2.63 1.01 -1.26 -1.95 120.40 124.85 1jfu s VAL 96 Ca -0.07 1.13 0.01 0.00 0.00 0.00 0.00 61.98 63.05 1jfu s VAL 96 Cb -0.03 -3.91 0.13 0.00 0.00 0.00 0.00 36.38 32.58 1jfu s VAL 96 CO 0.04 0.24 0.29 -0.69 0.00 0.00 0.00 175.10 174.98 1jfu s VAL 97 N 1.07 3.04 -0.34 2.92 1.01 0.83 -4.93 120.40 124.00 1jfu s VAL 97 Ca 0.29 -2.89 -0.17 0.00 0.00 0.00 0.00 61.98 59.21 1jfu s VAL 97 Cb -0.16 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 1jfu s VAL 97 CO 0.12 -0.78 0.47 0.00 0.00 0.00 0.00 175.10 174.90 1jfu s ALA 98 N 0.15 3.49 -0.25 5.51 0.00 -1.26 -1.02 121.76 128.39 1jfu s ALA 98 Ca 0.15 -1.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.01 1jfu s ALA 98 Cb -0.22 -2.94 -0.02 0.00 0.00 0.00 0.00 23.12 19.93 1jfu s ALA 98 CO -0.03 -1.12 0.06 0.42 0.00 0.00 0.00 175.76 175.08 1jfu s ILE 99 N 2.27 4.17 0.28 0.00 1.01 0.25 -3.81 121.20 125.38 1jfu s ILE 99 Ca 0.17 -0.24 -0.27 0.00 0.00 0.00 0.00 60.65 60.31 1jfu s ILE 99 Cb -0.16 -2.95 -0.09 0.00 0.01 0.00 0.00 42.46 39.26 1jfu s ILE 99 CO 0.12 0.34 0.93 0.21 0.00 0.00 0.00 174.94 176.54 1jfu s ASN 100 N 1.59 7.45 -0.17 3.58 3.84 -0.21 -1.95 114.94 129.07 1jfu s ASN 100 Ca 0.06 1.86 0.14 0.00 0.21 0.00 0.00 52.86 55.13 1jfu s ASN 100 Cb -0.15 -2.58 0.37 0.00 -0.55 0.00 0.00 41.25 38.34 1jfu s ASN 100 CO 0.03 0.03 1.19 2.30 -2.79 0.00 0.00 177.10 177.86 1jfu n ILE 101 N 0.94 1.90 -1.88 -5.21 -5.35 0.19 -0.94 119.36 109.02 1jfu n ILE 101 Ca 0.00 -2.72 -0.40 0.00 -0.27 0.00 0.00 62.75 59.36 1jfu n ILE 101 Cb 0.49 -0.13 0.00 0.00 -1.74 0.00 0.00 39.64 38.26 1jfu n ILE 101 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 1jfu s ASP 102 N -2.98 6.20 -0.01 7.28 1.11 -1.26 -4.53 116.67 122.47 1jfu s ASP 102 Ca 0.35 2.89 0.04 0.00 0.18 0.00 0.00 52.55 56.01 1jfu s ASP 102 Cb 0.34 -2.66 -0.06 0.00 1.07 0.00 0.00 42.92 41.61 1jfu s ASP 102 CO -0.05 -0.95 0.08 0.35 1.18 0.00 0.00 175.17 175.78 1jfu n THR 103 N 0.17 0.03 -0.02 -1.27 -2.24 -1.26 -4.34 114.28 105.35 1jfu n THR 103 Ca 0.03 -0.10 -0.01 0.00 -2.27 0.00 0.00 64.05 61.71 1jfu n THR 103 Cb 0.41 0.28 -0.00 0.00 -2.10 0.00 0.00 70.33 68.92 1jfu n THR 103 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1jfu h ARG 104 N 0.00 -0.05 -3.78 -0.78 2.43 -1.90 -3.45 114.38 106.85 1jfu h ARG 104 Ca -0.01 0.00 -0.59 0.00 -0.81 0.00 0.00 59.98 58.57 1jfu h ARG 104 Cb 0.28 0.01 -0.40 0.00 -0.42 0.00 0.00 29.97 29.45 1jfu h ARG 104 CO 0.00 -0.03 -0.75 0.34 -1.51 0.00 0.00 179.97 178.01 1jfu s ASP 105 N -5.28 4.03 0.64 -3.80 2.15 -1.26 -5.02 116.67 108.13 1jfu s ASP 105 Ca -0.01 -1.60 0.36 0.00 0.43 0.00 0.00 52.55 51.73 1jfu s ASP 105 Cb 0.00 -0.98 1.97 0.00 -0.30 0.00 0.00 42.92 43.62 1jfu s ASP 105 CO 0.02 -0.39 2.11 -0.65 -0.17 0.00 0.00 175.17 176.09 1jfu h PRO 106 N 8.02 0.00 0.00 4.34 0.11 -1.90 -2.27 132.00 140.31 1jfu h PRO 106 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1jfu h PRO 106 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1jfu h PRO 106 CO 0.46 0.00 -0.77 1.49 -0.21 0.00 0.00 178.00 178.97 1jfu h GLU 107 N 0.00 0.00 -0.20 1.05 4.57 -2.01 -3.39 114.58 114.60 1jfu h GLU 107 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1jfu h GLU 107 Cb 0.31 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.89 1jfu h GLU 107 CO 0.00 0.00 0.10 -0.22 -1.18 0.00 0.00 179.01 177.71 1jfu h LYS 108 N 0.00 0.28 -0.28 1.92 3.64 -1.85 -1.67 116.57 118.62 1jfu h LYS 108 Ca 0.00 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 1jfu h LYS 108 Cb 0.91 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 1jfu h LYS 108 CO 0.00 0.28 -0.11 -1.35 -2.27 0.00 0.00 179.45 176.00 1jfu h PRO 109 N 0.21 0.46 -0.29 1.90 0.11 -1.76 -0.79 132.00 131.84 1jfu h PRO 109 Ca 0.07 -0.12 -0.02 0.00 0.11 0.00 0.00 66.00 66.03 1jfu h PRO 109 Cb 0.09 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 1jfu h PRO 109 CO -0.01 0.57 0.09 0.87 -0.21 0.00 0.00 178.00 179.31 1jfu h LYS 110 N 0.43 0.45 -0.69 1.05 1.57 -1.72 -0.83 116.57 116.82 1jfu h LYS 110 Ca 0.08 -0.10 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1jfu h LYS 110 Cb 0.45 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 1jfu h LYS 110 CO 0.03 0.51 0.23 1.15 -0.57 0.00 0.00 179.45 180.79 1jfu h THR 111 N 0.30 1.25 -0.14 -0.16 2.02 -1.09 -1.68 112.91 113.42 1jfu h THR 111 Ca 0.09 -0.85 0.02 0.00 0.77 0.00 0.00 66.41 66.44 1jfu h THR 111 Cb 0.25 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1jfu h THR 111 CO -0.00 0.33 -0.01 0.15 0.37 0.00 0.00 175.52 176.36 1jfu h PHE 112 N 1.00 -0.03 -0.76 3.16 3.57 -0.70 -0.48 116.94 122.70 1jfu h PHE 112 Ca 0.22 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.69 1jfu h PHE 112 Cb 0.28 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 1jfu h PHE 112 CO 0.02 -0.03 0.30 -0.07 -2.23 0.00 0.00 178.31 176.30 1jfu h LEU 113 N 0.03 1.05 -0.17 0.59 3.38 -1.01 -1.66 115.31 117.52 1jfu h LEU 113 Ca 0.07 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1jfu h LEU 113 Cb 0.09 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 1jfu h LEU 113 CO -0.13 0.93 0.03 0.50 0.09 0.00 0.00 178.44 179.87 1jfu h LYS 114 N 1.10 0.27 0.00 1.13 3.64 -1.02 -0.12 116.57 121.57 1jfu h LYS 114 Ca 0.25 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.53 1jfu h LYS 114 Cb 0.21 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1jfu h LYS 114 CO -0.02 0.44 -0.17 0.93 -2.27 0.00 0.00 179.45 178.36 1jfu h GLU 115 N 0.07 0.00 -0.01 1.90 5.08 -0.95 -1.19 114.58 119.47 1jfu h GLU 115 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1jfu h GLU 115 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1jfu h GLU 115 CO 0.00 0.17 -0.18 0.00 -1.00 0.00 0.00 179.01 178.00 1jfu n ALA 116 N -2.33 2.92 -3.71 3.43 0.00 -0.64 -4.94 120.51 115.24 1jfu n ALA 116 Ca -0.02 -0.38 -0.24 0.00 0.00 0.00 0.00 53.44 52.81 1jfu n ALA 116 Cb 0.27 -1.19 0.04 0.00 0.00 0.00 0.00 19.45 18.58 1jfu n ALA 116 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1jfu n ASN 117 N -0.60 -2.91 -4.23 0.00 4.05 -0.31 -4.96 115.26 106.30 1jfu n ASN 117 Ca 0.14 -0.75 -0.39 0.00 0.45 0.00 0.00 54.58 54.03 1jfu n ASN 117 Cb 0.33 -4.27 -0.11 0.00 1.23 0.00 0.00 39.78 36.96 1jfu n ASN 117 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1jfu s LEU 118 N -6.88 5.07 -0.00 1.20 1.43 -0.21 -4.90 118.68 114.40 1jfu s LEU 118 Ca 0.26 -1.60 0.02 0.00 -1.03 0.00 0.00 54.13 51.77 1jfu s LEU 118 Cb -0.12 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 1jfu s LEU 118 CO 0.80 -0.52 0.06 0.35 0.23 0.00 0.00 176.35 177.27 1jfu n THR 119 N 4.83 0.00 0.23 5.49 -2.24 -1.26 -4.59 114.28 116.73 1jfu n THR 119 Ca -0.09 -0.31 0.11 0.00 -2.27 0.00 0.00 64.05 61.50 1jfu n THR 119 Cb 0.43 0.80 0.39 0.00 -2.10 0.00 0.00 70.33 69.85 1jfu n THR 119 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 1jfu h ARG 120 N 0.00 0.00 0.00 -0.78 3.08 -1.90 -3.09 114.38 111.69 1jfu h ARG 120 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jfu h ARG 120 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1jfu h ARG 120 CO 0.00 0.15 0.00 1.28 -1.07 0.00 0.00 179.97 180.33 1jfu n LEU 121 N -3.22 0.10 0.00 3.04 4.77 -1.26 -4.97 117.00 115.47 1jfu n LEU 121 Ca 0.01 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1jfu n LEU 121 Cb 0.46 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1jfu n LEU 121 CO 0.33 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.95 1jfu n GLY 122 N 1.34 1.04 2.50 -0.72 0.00 -1.17 -4.47 105.19 103.70 1jfu n GLY 122 Ca 0.06 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.20 1jfu n GLY 122 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jfu n TYR 123 N 4.78 -2.01 -2.64 1.61 9.36 -1.26 -4.95 117.16 122.05 1jfu n TYR 123 Ca 0.00 -2.57 -0.36 0.00 3.32 0.00 0.00 57.90 58.29 1jfu n TYR 123 Cb 0.00 0.68 -0.05 0.00 -0.63 0.00 0.00 39.34 39.34 1jfu n TYR 123 CO 0.00 0.00 0.00 -0.06 0.22 0.00 0.00 176.86 177.02 1jfu s PHE 124 N 0.06 3.37 -0.09 2.98 0.08 -1.25 -1.98 117.98 121.15 1jfu s PHE 124 Ca 0.33 1.67 -0.29 0.00 0.12 0.00 0.00 56.93 58.75 1jfu s PHE 124 Cb 0.11 -3.03 0.07 0.00 -0.57 0.00 0.00 43.02 39.60 1jfu s PHE 124 CO -0.15 -0.34 0.68 0.54 -0.10 0.00 0.00 175.22 175.84 1jfu s ASN 125 N -1.68 -0.66 -0.32 1.36 2.20 -0.19 -1.04 114.94 114.61 1jfu s ASN 125 Ca 0.57 0.83 -0.01 0.00 -0.94 0.00 0.00 52.86 53.31 1jfu s ASN 125 Cb -0.19 0.70 0.10 0.00 -2.00 0.00 0.00 41.25 39.86 1jfu s ASN 125 CO 0.24 -0.54 0.12 -0.62 -2.94 0.00 0.00 177.10 173.36 1jfu s ASP 126 N -0.91 3.85 0.00 3.54 2.15 -0.11 0.03 116.67 125.22 1jfu s ASP 126 Ca -0.09 -1.67 0.17 0.00 0.43 0.00 0.00 52.55 51.38 1jfu s ASP 126 Cb -0.01 -0.75 0.97 0.00 -0.30 0.00 0.00 42.92 42.83 1jfu s ASP 126 CO 0.08 -0.40 1.43 0.00 -0.17 0.00 0.00 175.17 176.10 1jfu n GLN 127 N 4.79 0.47 0.00 4.34 6.02 -1.26 -1.42 117.38 130.31 1jfu n GLN 127 Ca -0.01 0.03 0.11 0.00 -0.01 0.00 0.00 57.00 57.11 1jfu n GLN 127 Cb 0.41 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 30.06 1jfu n GLN 127 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1jfu n LYS 128 N -1.06 0.30 -1.51 -1.09 4.76 -1.26 -4.52 118.16 113.79 1jfu n LYS 128 Ca 0.12 -0.07 -0.18 0.00 -2.87 0.00 0.00 58.31 55.31 1jfu n LYS 128 Cb 0.07 -1.53 -0.08 0.00 -1.84 0.00 0.00 35.03 31.66 1jfu n LYS 128 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1jfu n ALA 129 N -1.85 -0.27 0.24 7.82 0.00 -0.51 -4.85 120.51 121.09 1jfu n ALA 129 Ca 0.01 0.28 0.08 0.00 0.00 0.00 0.00 53.44 53.81 1jfu n ALA 129 Cb 0.44 -1.78 0.60 0.00 0.00 0.00 0.00 19.45 18.71 1jfu n ALA 129 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1jfu h LYS 130 N 0.00 0.00 -0.13 0.00 3.64 -1.93 -2.38 116.57 115.76 1jfu h LYS 130 Ca -0.36 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 1jfu h LYS 130 Cb 1.15 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.96 1jfu h LYS 130 CO 0.53 0.14 -0.04 -0.39 -2.27 0.00 0.00 179.45 177.42 1jfu h VAL 131 N 0.00 1.12 -0.18 2.00 -1.51 -1.89 0.14 116.25 115.93 1jfu h VAL 131 Ca -0.00 -0.47 -0.03 0.00 -1.23 0.00 0.00 66.70 64.96 1jfu h VAL 131 Cb 0.28 1.07 -0.01 0.00 -2.13 0.00 0.00 31.29 30.50 1jfu h VAL 131 CO 0.02 0.15 -0.01 0.15 -1.23 0.00 0.00 177.57 176.65 1jfu h PHE 132 N 0.19 0.36 -0.75 5.19 3.57 -1.83 -2.35 116.94 121.33 1jfu h PHE 132 Ca 0.04 -0.07 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1jfu h PHE 132 Cb 0.20 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 1jfu h PHE 132 CO 0.00 0.54 0.46 1.96 -2.23 0.00 0.00 178.31 179.05 1jfu h GLN 133 N 0.07 1.00 -0.51 1.11 1.08 -1.08 0.67 115.11 117.44 1jfu h GLN 133 Ca 0.05 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1jfu h GLN 133 Cb 0.41 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 1jfu h GLN 133 CO 0.01 0.69 0.27 -0.44 -0.95 0.00 0.00 178.83 178.40 1jfu h ASP 134 N 1.02 0.65 0.52 1.46 3.32 -0.65 -1.33 116.42 121.41 1jfu h ASP 134 Ca 0.27 -0.11 -0.18 0.00 0.02 0.00 0.00 57.03 57.04 1jfu h ASP 134 Cb -0.07 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.30 1jfu h ASP 134 CO -0.05 0.57 -0.77 -0.07 -1.72 0.00 0.00 179.24 177.20 1jfu h LEU 135 N 0.68 0.24 -1.03 1.55 3.38 -1.03 -3.11 115.31 115.99 1jfu h LEU 135 Ca 0.18 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1jfu h LEU 135 Cb 0.08 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1jfu h LEU 135 CO -0.03 0.92 0.34 0.50 0.09 0.00 0.00 178.44 180.26 1jfu h LYS 136 N 0.12 1.03 0.00 1.13 3.64 -0.58 -0.38 116.57 121.53 1jfu h LYS 136 Ca -0.03 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.20 1jfu h LYS 136 Cb 1.35 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1jfu h LYS 136 CO 0.12 0.80 -0.04 0.00 -2.27 0.00 0.00 179.45 178.06 1jfu h ALA 137 N 1.35 1.16 -0.42 5.00 0.00 -1.17 -0.75 119.26 124.43 1jfu h ALA 137 Ca 0.25 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1jfu h ALA 137 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1jfu h ALA 137 CO -0.03 0.05 0.00 0.44 0.00 0.00 0.00 179.25 179.70 1jfu n ILE 138 N -3.36 1.62 -2.03 0.00 -5.35 -0.82 -4.95 119.36 104.48 1jfu n ILE 138 Ca -0.02 -1.31 -0.07 0.00 -0.27 0.00 0.00 62.75 61.07 1jfu n ILE 138 Cb 0.17 0.17 -0.01 0.00 -1.74 0.00 0.00 39.64 38.23 1jfu n ILE 138 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jfu n GLY 139 N 0.44 0.17 0.10 3.28 0.00 -0.29 -4.94 105.19 103.94 1jfu n GLY 139 Ca 0.19 -0.59 0.10 0.00 0.00 0.00 0.00 46.02 45.72 1jfu n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jfu n ARG 140 N -1.85 1.27 -3.42 1.61 5.12 -0.22 -4.86 116.66 114.32 1jfu n ARG 140 Ca -0.09 -2.58 -0.22 0.00 -1.93 0.00 0.00 57.85 53.04 1jfu n ARG 140 Cb 0.53 -1.49 -0.10 0.00 -1.16 0.00 0.00 32.46 30.24 1jfu n ARG 140 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1jfu s ALA 141 N -2.84 0.05 -2.14 7.54 0.00 -1.21 -4.75 121.76 118.40 1jfu s ALA 141 Ca 0.32 -1.06 0.22 0.00 0.00 0.00 0.00 51.96 51.44 1jfu s ALA 141 Cb 0.28 -1.79 0.03 0.00 0.00 0.00 0.00 23.12 21.64 1jfu s ALA 141 CO 0.03 -1.96 1.08 1.28 0.00 0.00 0.00 175.76 176.19 1jfu n LEU 142 N 4.59 2.17 0.00 0.00 4.77 -1.26 -4.52 117.00 122.74 1jfu n LEU 142 Ca 0.06 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.23 1jfu n LEU 142 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1jfu n LEU 142 CO 0.07 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 1jfu n GLY 143 N 1.36 -0.82 2.96 -0.72 0.00 -1.26 -5.14 105.19 101.57 1jfu n GLY 143 Ca 0.10 -0.86 -0.18 0.00 0.00 0.00 0.00 46.02 45.08 1jfu n GLY 143 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1jfu s MET 144 N -0.77 0.66 0.79 1.61 -1.94 -1.26 -3.79 119.30 114.60 1jfu s MET 144 Ca 0.00 -0.22 -0.11 0.00 -1.71 0.00 0.00 55.69 53.65 1jfu s MET 144 Cb 0.00 -0.65 0.06 0.00 2.01 0.00 0.00 34.83 36.26 1jfu s MET 144 CO 0.00 0.09 1.09 -1.25 -0.01 0.00 0.00 175.02 174.94 1jfu s PRO 145 N 0.14 2.18 -0.03 2.03 0.04 -1.26 -4.78 135.00 133.31 1jfu s PRO 145 Ca -0.02 0.73 0.06 0.00 0.04 0.00 0.00 61.00 61.82 1jfu s PRO 145 Cb -0.06 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.54 1jfu s PRO 145 CO -0.00 -1.58 -0.23 0.99 0.04 0.00 0.00 177.00 176.22 1jfu s THR 146 N -3.11 1.84 -0.01 1.26 2.01 -1.22 -2.23 115.64 114.18 1jfu s THR 146 Ca 0.60 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.65 1jfu s THR 146 Cb -0.15 -1.54 -0.00 0.00 0.01 0.00 0.00 72.50 70.82 1jfu s THR 146 CO 0.55 0.52 -0.07 -0.44 -0.69 0.00 0.00 174.62 174.49 1jfu s SER 147 N -0.33 0.80 -0.08 3.53 0.01 -0.88 -0.79 113.70 115.96 1jfu s SER 147 Ca 0.03 -0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.20 1jfu s SER 147 Cb -0.11 -0.11 0.01 0.00 0.21 0.00 0.00 66.02 66.02 1jfu s SER 147 CO 0.01 0.07 -0.17 -0.69 0.41 0.00 0.00 173.24 172.87 1jfu s VAL 148 N -0.09 1.52 -0.18 3.43 1.01 0.50 -0.72 120.40 125.86 1jfu s VAL 148 Ca 0.02 -0.71 -0.22 0.00 0.00 0.00 0.00 61.98 61.07 1jfu s VAL 148 Cb -0.03 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 34.98 1jfu s VAL 148 CO -0.00 0.44 0.69 -0.22 0.00 0.00 0.00 175.10 176.00 1jfu s LEU 149 N 0.49 4.17 -0.04 3.92 2.96 0.38 -0.53 118.68 130.02 1jfu s LEU 149 Ca -0.15 0.95 0.06 0.00 -0.22 0.00 0.00 54.13 54.77 1jfu s LEU 149 Cb -0.16 -2.99 -0.01 0.00 0.50 0.00 0.00 46.19 43.52 1jfu s LEU 149 CO 0.06 -0.29 -0.24 -0.69 -1.32 0.00 0.00 176.35 173.87 1jfu s VAL 150 N 1.88 1.92 0.80 1.68 1.01 0.49 -0.82 120.40 127.36 1jfu s VAL 150 Ca 0.32 -1.01 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1jfu s VAL 150 Cb -0.16 -1.62 0.12 0.00 0.00 0.00 0.00 36.38 34.72 1jfu s VAL 150 CO 0.11 0.54 1.13 1.51 0.00 0.00 0.00 175.10 178.39 1jfu s ASP 151 N -0.27 4.13 0.08 3.32 -4.77 0.05 -0.91 116.67 118.30 1jfu s ASP 151 Ca 0.01 0.26 0.05 0.00 -3.30 0.00 0.00 52.55 49.57 1jfu s ASP 151 Cb -0.12 -0.64 0.27 0.00 -1.09 0.00 0.00 42.92 41.35 1jfu s ASP 151 CO 0.02 -2.06 1.12 -2.65 0.70 0.00 0.00 175.17 172.30 1jfu n PRO 152 N -3.22 0.03 -0.34 2.11 -0.02 -1.15 -1.37 135.00 131.05 1jfu n PRO 152 Ca 0.12 0.50 0.11 0.00 -2.02 0.00 0.00 63.50 62.21 1jfu n PRO 152 Cb 0.60 -1.66 0.30 0.00 -0.02 0.00 0.00 33.50 32.72 1jfu n PRO 152 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1jfu n GLN 153 N -1.65 2.72 -1.44 -0.52 1.13 -1.26 -0.78 117.38 115.57 1jfu n GLN 153 Ca -0.00 -2.57 -0.04 0.00 -1.94 0.00 0.00 57.00 52.45 1jfu n GLN 153 Cb 0.06 -1.54 -0.01 0.00 0.11 0.00 0.00 30.24 28.86 1jfu n GLN 153 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1jfu n GLY 154 N 1.53 0.51 3.92 1.08 0.00 -0.47 -4.93 105.19 106.83 1jfu n GLY 154 Ca 0.23 -0.84 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1jfu n GLY 154 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jfu s GLU 156 N -2.48 4.24 -0.26 0.00 2.12 0.22 -0.77 118.70 121.76 1jfu s GLU 156 Ca 0.35 2.20 -0.10 0.00 0.36 0.00 0.00 54.97 57.78 1jfu s GLU 156 Cb -0.13 -3.51 -0.15 0.00 0.26 0.00 0.00 34.13 30.61 1jfu s GLU 156 CO 0.27 -0.64 -0.22 -0.89 -0.54 0.00 0.00 175.26 173.23 1jfu n ILE 157 N 4.55 1.53 -3.45 -3.70 5.41 -0.00 -4.48 119.36 119.22 1jfu n ILE 157 Ca 0.14 -0.41 -0.12 0.00 1.00 0.00 0.00 62.75 63.36 1jfu n ILE 157 Cb 0.41 -1.77 -0.03 0.00 -0.71 0.00 0.00 39.64 37.55 1jfu n ILE 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1jfu s ALA 158 N -2.50 -1.68 -0.00 -1.39 0.00 -1.10 -0.21 121.76 114.88 1jfu s ALA 158 Ca -0.36 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.36 1jfu s ALA 158 Cb 0.12 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.87 1jfu s ALA 158 CO 0.54 -0.69 -0.07 0.99 0.00 0.00 0.00 175.76 176.54 1jfu s THR 159 N -3.22 0.53 -0.11 0.00 2.01 -0.71 -0.47 115.64 113.67 1jfu s THR 159 Ca 0.00 -0.35 0.02 0.00 0.31 0.00 0.00 61.69 61.67 1jfu s THR 159 Cb -0.01 -0.46 -0.01 0.00 0.01 0.00 0.00 72.50 72.04 1jfu s THR 159 CO -0.09 0.10 -0.20 -0.51 -0.69 0.00 0.00 174.62 173.24 1jfu s ILE 160 N -0.26 2.45 -1.14 1.82 2.07 0.10 -1.18 121.20 125.07 1jfu s ILE 160 Ca 0.02 -0.88 -0.10 0.00 -1.41 0.00 0.00 60.65 58.28 1jfu s ILE 160 Cb -0.03 -1.98 0.26 0.00 0.13 0.00 0.00 42.46 40.84 1jfu s ILE 160 CO -0.00 0.55 1.21 0.00 -1.91 0.00 0.00 174.94 174.79 1jfu n ALA 161 N 3.52 4.25 0.00 1.50 0.00 -1.26 -2.08 120.51 126.43 1jfu n ALA 161 Ca -0.19 -4.60 0.00 0.00 0.00 0.00 0.00 53.44 48.66 1jfu n ALA 161 Cb 0.53 -2.57 0.00 0.00 0.00 0.00 0.00 19.45 17.41 1jfu n ALA 161 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jfu n GLY 162 N 2.85 0.39 3.90 0.00 0.00 -0.95 -5.01 105.19 106.38 1jfu n GLY 162 Ca 0.27 -1.69 -0.28 0.00 0.00 0.00 0.00 46.02 44.32 1jfu n GLY 162 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jfu s PRO 163 N -1.44 3.24 0.09 1.61 0.04 -1.26 -4.66 135.00 132.62 1jfu s PRO 163 Ca 0.00 0.24 -0.11 0.00 0.04 0.00 0.00 61.00 61.17 1jfu s PRO 163 Cb 0.00 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 32.30 1jfu s PRO 163 CO 0.00 -0.54 0.25 0.00 0.04 0.00 0.00 177.00 176.75 1jfu s ALA 164 N -2.97 -0.45 -1.19 8.56 0.00 -1.26 -5.05 121.76 119.39 1jfu s ALA 164 Ca 0.52 -0.39 -0.20 0.00 0.00 0.00 0.00 51.96 51.89 1jfu s ALA 164 Cb -0.11 0.51 0.05 0.00 0.00 0.00 0.00 23.12 23.57 1jfu s ALA 164 CO 0.47 -0.52 1.67 -1.21 0.00 0.00 0.00 175.76 176.17 1jfu s GLU 165 N -3.63 3.72 0.05 0.00 0.41 -1.26 -4.81 118.70 113.18 1jfu s GLU 165 Ca 0.03 -1.62 0.20 0.00 -0.41 0.00 0.00 54.97 53.17 1jfu s GLU 165 Cb 0.03 -5.45 0.84 0.00 -1.78 0.00 0.00 34.13 27.77 1jfu s GLU 165 CO -0.10 -2.40 1.64 0.91 -0.49 0.00 0.00 175.26 174.81 1jfu n TRP 166 N 9.16 0.18 0.43 1.61 7.02 -1.26 -1.82 117.44 132.76 1jfu n TRP 166 Ca 0.44 0.07 0.11 0.00 -1.02 0.00 0.00 57.50 57.09 1jfu n TRP 166 Cb 0.48 -0.61 0.17 0.00 -2.42 0.00 0.00 31.31 28.93 1jfu n TRP 166 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1jfu n ALA 167 N -1.56 2.42 -1.20 6.99 0.00 -1.26 -4.43 120.51 121.47 1jfu n ALA 167 Ca 0.04 -0.90 -0.30 0.00 0.00 0.00 0.00 53.44 52.28 1jfu n ALA 167 Cb 0.24 -0.78 0.12 0.00 0.00 0.00 0.00 19.45 19.02 1jfu n ALA 167 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jfu s SER 168 N -1.51 3.92 0.21 0.00 1.04 -0.75 -4.82 113.70 111.78 1jfu s SER 168 Ca 0.33 1.68 -0.10 0.00 0.48 0.00 0.00 55.95 58.34 1jfu s SER 168 Cb 0.20 -2.36 0.19 0.00 0.10 0.00 0.00 66.02 64.15 1jfu s SER 168 CO 0.29 -2.39 1.85 -0.33 0.98 0.00 0.00 173.24 173.64 1jfu h GLU 169 N -1.37 0.85 -0.37 4.02 5.08 -1.94 -1.16 114.58 119.68 1jfu h GLU 169 Ca -0.46 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.85 1jfu h GLU 169 Cb 1.26 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.30 1jfu h GLU 169 CO 0.52 0.56 0.24 -0.44 -1.00 0.00 0.00 179.01 178.89 1jfu h ASP 170 N 0.87 0.43 -0.29 1.42 3.32 -1.93 -1.10 116.42 119.15 1jfu h ASP 170 Ca 0.28 -0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.26 1jfu h ASP 170 Cb 0.01 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1jfu h ASP 170 CO -0.11 0.33 -0.00 0.00 -1.72 0.00 0.00 179.24 177.74 1jfu h ALA 171 N 1.12 0.39 -0.97 3.45 0.00 -1.72 -2.13 119.26 119.40 1jfu h ALA 171 Ca 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1jfu h ALA 171 Cb -0.04 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1jfu h ALA 171 CO -0.03 0.13 0.61 -0.07 0.00 0.00 0.00 179.25 179.90 1jfu h LEU 172 N 0.30 1.14 -0.45 0.00 3.38 -1.11 -0.95 115.31 117.63 1jfu h LEU 172 Ca 0.08 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1jfu h LEU 172 Cb 0.44 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1jfu h LEU 172 CO 0.02 0.86 0.08 0.50 0.09 0.00 0.00 178.44 179.98 1jfu h LYS 173 N 1.33 0.74 -0.32 1.13 3.64 -1.07 -0.14 116.57 121.89 1jfu h LYS 173 Ca 0.35 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1jfu h LYS 173 Cb -0.10 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 1jfu h LYS 173 CO -0.07 0.76 0.10 1.25 -2.27 0.00 0.00 179.45 179.22 1jfu h LEU 174 N 0.61 0.47 -0.47 5.20 6.46 -1.09 -1.80 115.31 124.70 1jfu h LEU 174 Ca 0.14 -0.21 -0.07 0.00 -0.12 0.00 0.00 57.88 57.63 1jfu h LEU 174 Cb 0.37 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 1jfu h LEU 174 CO 0.01 0.55 0.03 0.40 -0.62 0.00 0.00 178.44 178.81 1jfu h ILE 175 N 0.37 1.26 -0.46 4.05 2.04 -0.98 -1.45 117.51 122.33 1jfu h ILE 175 Ca 0.10 -0.99 0.01 0.00 1.00 0.00 0.00 64.86 64.98 1jfu h ILE 175 Cb 0.25 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1jfu h ILE 175 CO -0.00 0.35 0.28 0.03 0.00 0.00 0.00 178.15 178.81 1jfu h ARG 176 N 0.66 0.56 -0.72 2.37 3.08 -1.02 -1.51 114.38 117.80 1jfu h ARG 176 Ca 0.14 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.17 1jfu h ARG 176 Cb 0.45 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 1jfu h ARG 176 CO 0.02 0.37 0.48 0.00 -1.07 0.00 0.00 179.97 179.76 1jfu h ALA 177 N 1.19 1.53 -0.11 0.04 0.00 -1.04 -2.24 119.26 118.63 1jfu h ALA 177 Ca 0.18 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.90 1jfu h ALA 177 Cb -0.02 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1jfu h ALA 177 CO -0.06 0.41 -0.57 0.00 0.00 0.00 0.00 179.25 179.03 1jfu h ALA 178 N 1.56 0.83 0.14 0.00 0.00 -0.77 -3.33 119.26 117.69 1jfu h ALA 178 Ca 0.28 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1jfu h ALA 178 Cb -0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jfu h ALA 178 CO -0.07 0.70 -0.07 1.15 0.00 0.00 0.00 179.25 180.96 1jfu h THR 179 N 0.25 1.01 0.00 0.00 2.02 -0.76 -3.50 112.91 111.92 1jfu h THR 179 Ca -0.00 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.19 1jfu h THR 179 Cb 1.08 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 69.07 1jfu h THR 179 CO 0.09 0.22 0.00 0.61 0.37 0.00 0.00 175.52 176.81