#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsf n ASP 2 N 0.00 0.00 -0.20 7.83 5.75 -1.26 -5.01 116.55 123.66 2jsf n ASP 2 Ca 0.00 -0.58 0.09 0.00 -0.01 0.00 0.00 54.79 54.29 2jsf n ASP 2 Cb 0.00 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.25 2jsf n ASP 2 CO 0.00 0.00 0.00 2.29 -0.11 0.00 0.00 177.20 179.38 2jsf n LYS 3 N -0.58 1.38 -1.37 0.11 2.85 -1.26 -5.07 118.16 114.22 2jsf n LYS 3 Ca 0.00 -2.74 -0.41 0.00 -1.05 0.00 0.00 58.31 54.10 2jsf n LYS 3 Cb 0.00 -1.53 0.01 0.00 -0.65 0.00 0.00 35.03 32.85 2jsf n LYS 3 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2jsf n LEU 4 N -1.35 -1.52 0.00 -5.58 0.00 -1.26 -4.89 117.00 102.40 2jsf n LEU 4 Ca 0.17 0.83 0.00 0.00 0.00 0.00 0.00 56.01 57.01 2jsf n LEU 4 Cb 0.66 -0.99 0.00 0.00 0.00 0.00 0.00 43.42 43.08 2jsf n LEU 4 CO 0.00 -3.63 0.00 0.00 0.00 0.00 0.00 177.39 173.76 2jsf n GLN 5 N 0.94 0.00 0.19 1.96 6.02 -1.26 -4.99 117.38 120.24 2jsf n GLN 5 Ca 0.11 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.95 2jsf n GLN 5 Cb 0.41 0.00 -0.08 0.00 1.02 0.00 0.00 30.24 31.59 2jsf n GLN 5 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2jsf h LEU 6 N 0.00 -1.18 0.00 1.08 5.85 -1.97 -0.21 115.31 118.88 2jsf h LEU 6 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 2jsf h LEU 6 Cb 0.00 0.42 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2jsf h LEU 6 CO 0.00 -0.53 0.00 1.17 -0.34 0.00 0.00 178.44 178.74 2jsf n LYS 7 N -5.48 0.29 0.15 1.25 4.81 -1.26 -2.76 118.16 115.15 2jsf n LYS 7 Ca -0.09 0.08 0.03 0.00 -0.87 0.00 0.00 58.31 57.46 2jsf n LYS 7 Cb 0.39 -1.50 0.14 0.00 0.02 0.00 0.00 35.03 34.08 2jsf n LYS 7 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 2jsf h GLY 8 N 3.74 0.00 0.00 3.14 0.00 -1.42 -3.45 103.07 105.08 2jsf h GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2jsf h GLY 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 176.54 177.57 2jsf n MET 9 N -3.37 0.00 -1.30 4.80 2.81 -1.03 -5.11 117.12 113.93 2jsf n MET 9 Ca 0.01 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.04 2jsf n MET 9 Cb 0.66 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 33.09 2jsf n MET 9 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2jsf n SER 10 N 0.00 -6.61 0.00 7.83 2.88 -1.20 -4.88 113.62 111.63 2jsf n SER 10 Ca 0.00 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 2jsf n SER 10 Cb 0.00 -4.38 0.00 0.00 -0.75 0.00 0.00 64.21 59.08 2jsf n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jsf n TYR 11 N -4.10 0.00 -0.25 0.66 4.19 -1.26 -4.92 117.16 111.48 2jsf n TYR 11 Ca -0.07 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.14 2jsf n TYR 11 Cb 0.59 -0.14 0.00 0.00 0.49 0.00 0.00 39.34 40.28 2jsf n TYR 11 CO 0.00 0.00 0.00 0.45 0.91 0.00 0.00 176.86 178.22 2jsf n SER 12 N -1.97 0.06 -2.96 2.98 2.88 -1.26 -4.92 113.62 108.43 2jsf n SER 12 Ca 0.00 -0.37 -0.12 0.00 -1.33 0.00 0.00 58.87 57.04 2jsf n SER 12 Cb 0.00 0.13 0.01 0.00 -0.75 0.00 0.00 64.21 63.60 2jsf n SER 12 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 2jsf n MET 13 N -0.13 -2.39 -1.54 -1.46 0.00 -1.26 -4.65 117.12 105.69 2jsf n MET 13 Ca 0.00 2.05 -0.38 0.00 -0.00 0.00 0.00 57.70 59.37 2jsf n MET 13 Cb 0.06 -4.88 -0.05 0.00 0.00 0.00 0.00 33.22 28.35 2jsf n MET 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2jsf n THR 15 N 7.86 0.00 0.00 0.00 -2.24 -1.26 -4.22 114.28 114.41 2jsf n THR 15 Ca 0.41 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 62.02 2jsf n THR 15 Cb 0.44 0.85 0.00 0.00 -2.10 0.00 0.00 70.33 69.52 2jsf n THR 15 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jsf n GLY 16 N 1.41 -2.88 3.26 3.38 0.00 -1.26 -4.49 105.19 104.60 2jsf n GLY 16 Ca 0.09 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.72 2jsf n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jsf s LYS 17 N 0.00 1.43 0.00 1.61 1.02 -0.82 -4.37 119.74 118.61 2jsf s LYS 17 Ca 0.00 -1.79 0.03 0.00 0.02 0.00 0.00 55.97 54.23 2jsf s LYS 17 Cb 0.00 0.15 -0.01 0.00 -0.52 0.00 0.00 37.83 37.45 2jsf s LYS 17 CO 0.00 -0.45 -0.10 -0.06 -0.92 0.00 0.00 175.35 173.82 2jsf s PHE 18 N -3.84 0.88 -0.23 3.18 0.40 -1.26 0.22 117.98 117.33 2jsf s PHE 18 Ca 0.38 -0.21 -0.05 0.00 -0.60 0.00 0.00 56.93 56.46 2jsf s PHE 18 Cb 0.06 -0.55 -0.01 0.00 0.51 0.00 0.00 43.02 43.02 2jsf s PHE 18 CO 0.17 -0.01 -0.01 0.21 0.70 0.00 0.00 175.22 176.27 2jsf s LYS 19 N -0.44 3.43 0.25 0.44 2.20 0.22 -4.60 119.74 121.24 2jsf s LYS 19 Ca 0.02 -0.60 -0.31 0.00 -0.36 0.00 0.00 55.97 54.73 2jsf s LYS 19 Cb -0.05 -3.09 -0.12 0.00 -1.51 0.00 0.00 37.83 33.07 2jsf s LYS 19 CO -0.00 -0.20 1.66 0.08 -0.36 0.00 0.00 175.35 176.53 2jsf s VAL 20 N 1.51 2.03 -0.11 4.02 1.01 -1.26 0.11 120.40 127.72 2jsf s VAL 20 Ca 0.06 0.02 0.13 0.00 0.00 0.00 0.00 61.98 62.20 2jsf s VAL 20 Cb -0.15 -3.01 -0.19 0.00 0.00 0.00 0.00 36.38 33.03 2jsf s VAL 20 CO -0.02 0.00 0.13 0.52 0.00 0.00 0.00 175.10 175.74 2jsf n VAL 21 N 3.02 0.69 -3.66 2.92 0.31 0.50 -4.77 118.33 117.33 2jsf n VAL 21 Ca 0.12 -0.53 -0.10 0.00 -0.01 0.00 0.00 64.34 63.82 2jsf n VAL 21 Cb 0.36 -0.40 -0.08 0.00 -0.91 0.00 0.00 33.84 32.81 2jsf n VAL 21 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2jsf s LYS 22 N -2.55 0.64 0.96 5.55 2.20 0.32 -4.94 119.74 121.92 2jsf s LYS 22 Ca -0.07 0.99 -0.13 0.00 -0.36 0.00 0.00 55.97 56.41 2jsf s LYS 22 Cb 0.06 0.17 0.02 0.00 -1.51 0.00 0.00 37.83 36.57 2jsf s LYS 22 CO 0.60 -0.13 0.29 -1.91 -0.36 0.00 0.00 175.35 173.83 2jsf n GLU 23 N 3.77 -0.29 -1.71 4.03 2.13 -1.26 -2.73 120.64 124.57 2jsf n GLU 23 Ca -0.19 -0.05 -0.43 0.00 0.66 0.00 0.00 57.16 57.16 2jsf n GLU 23 Cb 0.57 -1.77 -0.02 0.00 0.27 0.00 0.00 31.44 30.48 2jsf n GLU 23 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 2jsf n ILE 24 N -3.51 0.69 -4.26 6.31 2.08 -1.26 -4.49 119.36 114.92 2jsf n ILE 24 Ca 0.06 -0.17 -0.24 0.00 0.56 0.00 0.00 62.75 62.96 2jsf n ILE 24 Cb 0.54 -1.79 -0.07 0.00 -0.75 0.00 0.00 39.64 37.56 2jsf n ILE 24 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2jsf s ALA 25 N 0.31 3.19 -0.12 -1.39 0.00 0.63 -4.82 121.76 119.56 2jsf s ALA 25 Ca 0.69 -1.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.08 2jsf s ALA 25 Cb -0.56 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 21.67 2jsf s ALA 25 CO 0.44 0.33 -0.07 -1.83 0.00 0.00 0.00 175.76 174.63 2jsf s GLU 26 N -3.46 3.35 0.69 0.00 1.03 -1.26 0.35 118.70 119.40 2jsf s GLU 26 Ca 0.30 -0.57 -0.01 0.00 0.03 0.00 0.00 54.97 54.72 2jsf s GLU 26 Cb -0.07 -2.75 0.10 0.00 -0.80 0.00 0.00 34.13 30.61 2jsf s GLU 26 CO 0.20 0.35 0.96 0.95 -1.33 0.00 0.00 175.26 176.39 2jsf s THR 27 N 0.03 2.26 -0.61 1.83 -4.23 0.15 -4.89 115.64 110.17 2jsf s THR 27 Ca -0.01 -0.56 0.25 0.00 -1.18 0.00 0.00 61.69 60.19 2jsf s THR 27 Cb -0.14 -2.69 0.28 0.00 1.34 0.00 0.00 72.50 71.29 2jsf s THR 27 CO 0.03 0.00 1.67 1.56 -0.54 0.00 0.00 174.62 177.34 2jsf h GLN 28 N -0.45 0.00 -0.00 3.99 4.20 -2.00 -3.15 115.11 117.70 2jsf h GLN 28 Ca -0.38 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.33 2jsf h GLN 28 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 2jsf h GLN 28 CO 0.44 0.00 0.00 0.72 -0.67 0.00 0.00 178.83 179.32 2jsf n HIS 29 N -2.55 0.00 -0.35 2.96 8.25 -1.26 -4.82 115.22 117.45 2jsf n HIS 29 Ca 0.05 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 2jsf n HIS 29 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 2jsf n HIS 29 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jsf n GLY 30 N 0.94 0.81 4.02 -1.41 0.00 -1.19 -5.07 105.19 103.29 2jsf n GLY 30 Ca 0.20 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 2jsf n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2jsf s THR 31 N -2.05 2.48 0.02 2.61 -4.23 -1.26 -4.55 115.64 108.65 2jsf s THR 31 Ca 0.00 -0.92 0.05 0.00 -1.18 0.00 0.00 61.69 59.64 2jsf s THR 31 Cb 0.00 -2.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.26 2jsf s THR 31 CO 0.00 0.00 -0.15 -0.63 -0.54 0.00 0.00 174.62 173.30 2jsf s ILE 32 N -2.63 1.15 -0.14 2.99 1.01 0.26 0.33 121.20 124.17 2jsf s ILE 32 Ca 0.60 -0.83 -0.02 0.00 0.00 0.00 0.00 60.65 60.40 2jsf s ILE 32 Cb -0.08 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 2jsf s ILE 32 CO 0.38 0.17 -0.07 -0.69 0.00 0.00 0.00 174.94 174.72 2jsf s VAL 33 N -0.60 3.59 -0.17 2.92 1.01 1.07 -0.03 120.40 128.18 2jsf s VAL 33 Ca 0.04 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.55 2jsf s VAL 33 Cb -0.07 -2.54 0.02 0.00 0.00 0.00 0.00 36.38 33.79 2jsf s VAL 33 CO 0.00 0.52 -0.19 -0.51 0.00 0.00 0.00 175.10 174.92 2jsf s ILE 34 N 0.22 2.17 -0.35 2.22 -1.16 0.24 0.23 121.20 124.78 2jsf s ILE 34 Ca -0.05 -0.91 -0.09 0.00 -0.51 0.00 0.00 60.65 59.09 2jsf s ILE 34 Cb -0.14 -1.91 0.02 0.00 0.61 0.00 0.00 42.46 41.04 2jsf s ILE 34 CO 0.04 0.53 0.16 -0.60 -2.81 0.00 0.00 174.94 172.26 2jsf s ARG 35 N 1.18 2.89 0.00 3.50 3.52 -1.11 0.14 118.95 129.07 2jsf s ARG 35 Ca 0.02 -1.02 0.00 0.00 -0.13 0.00 0.00 55.73 54.60 2jsf s ARG 35 Cb -0.14 -3.59 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 2jsf s ARG 35 CO -0.09 -0.61 0.00 1.33 -0.81 0.00 0.00 175.30 175.11 2jsf n VAL 36 N 4.93 0.00 -4.07 7.11 0.24 0.12 0.19 118.33 126.85 2jsf n VAL 36 Ca -0.13 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 61.98 2jsf n VAL 36 Cb 0.46 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.67 2jsf n VAL 36 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2jsf s GLN 37 N -1.38 0.64 0.08 7.34 0.74 0.31 0.11 119.66 127.50 2jsf s GLN 37 Ca 0.00 -0.03 -0.30 0.00 0.05 0.00 0.00 55.36 55.07 2jsf s GLN 37 Cb 0.00 -0.72 -0.10 0.00 1.10 0.00 0.00 33.01 33.29 2jsf s GLN 37 CO 0.00 -0.11 1.91 -0.47 -0.55 0.00 0.00 175.29 176.07 2jsf s TYR 38 N 1.00 1.65 -0.43 1.67 5.04 -1.26 -0.61 117.35 124.41 2jsf s TYR 38 Ca -0.10 -0.28 0.04 0.00 -2.44 0.00 0.00 57.07 54.29 2jsf s TYR 38 Cb -0.14 -4.22 0.46 0.00 0.35 0.00 0.00 41.96 38.41 2jsf s TYR 38 CO -0.01 -5.30 1.53 0.39 -1.34 0.00 0.00 175.55 170.82 2jsf n GLU 39 N 6.72 3.15 -0.13 4.97 1.02 0.60 -4.13 120.64 132.83 2jsf n GLU 39 Ca 0.19 -3.77 0.00 0.00 -0.02 0.00 0.00 57.16 53.56 2jsf n GLU 39 Cb 0.40 -2.25 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 2jsf n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jsf n GLY 40 N -0.82 5.99 3.28 0.62 0.00 -1.11 -1.94 105.19 111.21 2jsf n GLY 40 Ca 0.50 -1.65 -0.29 0.00 0.00 0.00 0.00 46.02 44.59 2jsf n GLY 40 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jsf s ASP 41 N 0.87 2.80 0.00 1.61 2.15 -1.26 -4.86 116.67 117.98 2jsf s ASP 41 Ca 0.00 -0.48 0.00 0.00 0.43 0.00 0.00 52.55 52.50 2jsf s ASP 41 Cb 0.00 -0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.34 2jsf s ASP 41 CO 0.00 0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.87 2jsf n GLY 42 N 2.21 0.15 7.00 2.66 0.00 -1.26 -4.68 105.19 111.27 2jsf n GLY 42 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 2jsf n GLY 42 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jsf n SER 43 N 0.00 -0.74 -4.50 1.61 2.88 -1.26 -4.19 113.62 107.42 2jsf n SER 43 Ca 0.00 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 2jsf n SER 43 Cb 0.00 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.30 2jsf n SER 43 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2jsf n PRO 44 N 0.00 0.08 -4.10 -1.46 -0.02 -1.24 -4.57 135.00 123.69 2jsf n PRO 44 Ca 0.00 -0.02 -0.11 0.00 -2.02 0.00 0.00 63.50 61.35 2jsf n PRO 44 Cb 0.00 -1.56 -0.07 0.00 -0.02 0.00 0.00 33.50 31.84 2jsf n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2jsf s LYS 46 N -4.00 1.50 -0.10 0.00 1.02 -1.26 0.49 119.74 117.40 2jsf s LYS 46 Ca 0.31 -0.74 0.03 0.00 0.02 0.00 0.00 55.97 55.59 2jsf s LYS 46 Cb 0.03 -2.17 0.01 0.00 -0.52 0.00 0.00 37.83 35.18 2jsf s LYS 46 CO 0.12 -1.66 -0.20 0.42 -0.92 0.00 0.00 175.35 173.10 2jsf s ILE 47 N -3.37 1.80 0.49 2.17 -1.09 0.70 -1.50 121.20 120.40 2jsf s ILE 47 Ca 0.67 -0.86 -0.22 0.00 -2.23 0.00 0.00 60.65 58.01 2jsf s ILE 47 Cb -0.06 -1.58 -0.07 0.00 -1.58 0.00 0.00 42.46 39.18 2jsf s ILE 47 CO 0.47 0.50 1.21 -2.84 -1.23 0.00 0.00 174.94 173.05 2jsf s PRO 48 N 0.52 3.58 0.04 2.79 0.02 -1.26 -3.74 135.00 136.96 2jsf s PRO 48 Ca -0.16 1.88 -0.21 0.00 0.02 0.00 0.00 61.00 62.53 2jsf s PRO 48 Cb -0.17 -2.35 0.05 0.00 0.02 0.00 0.00 34.50 32.05 2jsf s PRO 48 CO 0.06 -0.73 0.49 0.12 -0.33 0.00 0.00 177.00 176.61 2jsf s PHE 49 N -1.49 -0.39 -0.29 6.54 5.36 -1.26 -1.35 117.98 125.10 2jsf s PHE 49 Ca 0.66 0.42 -0.14 0.00 -0.96 0.00 0.00 56.93 56.91 2jsf s PHE 49 Cb -0.31 0.31 0.13 0.00 -0.34 0.00 0.00 43.02 42.80 2jsf s PHE 49 CO 0.38 -0.62 0.80 -2.00 -1.46 0.00 0.00 175.22 172.32 2jsf s GLU 50 N -2.41 0.51 -0.13 10.12 2.12 -0.57 -4.94 118.70 123.41 2jsf s GLU 50 Ca -0.06 1.06 0.01 0.00 0.36 0.00 0.00 54.97 56.35 2jsf s GLU 50 Cb -0.01 0.39 0.02 0.00 0.26 0.00 0.00 34.13 34.79 2jsf s GLU 50 CO -0.02 -0.14 -0.16 0.42 -0.54 0.00 0.00 175.26 174.83 2jsf s ILE 51 N 2.08 1.64 0.16 -3.70 1.01 -1.26 -0.92 121.20 120.21 2jsf s ILE 51 Ca -0.07 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 59.87 2jsf s ILE 51 Cb -0.07 -1.50 0.00 0.00 0.01 0.00 0.00 42.46 40.90 2jsf s ILE 51 CO -0.18 0.47 0.00 0.23 0.00 0.00 0.00 174.94 175.46 2jsf n MET 52 N 4.39 0.00 0.00 2.79 2.81 -1.26 -4.07 117.12 121.78 2jsf n MET 52 Ca -0.19 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 2jsf n MET 52 Cb 0.51 -0.26 0.00 0.00 -0.71 0.00 0.00 33.22 32.75 2jsf n MET 52 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2jsf n ASP 53 N -3.38 0.00 -0.02 7.83 -0.08 -1.26 -4.37 116.55 115.28 2jsf n ASP 53 Ca 0.00 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.27 2jsf n ASP 53 Cb 0.04 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.50 2jsf n ASP 53 CO 0.00 0.00 0.00 0.25 0.12 0.00 0.00 177.20 177.57 2jsf h LEU 54 N 0.00 -0.16 0.00 -2.67 6.46 -1.94 -3.46 115.31 113.55 2jsf h LEU 54 Ca 0.00 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.78 2jsf h LEU 54 Cb 0.00 0.07 0.00 0.00 -0.73 0.00 0.00 40.66 40.00 2jsf h LEU 54 CO 0.00 -0.03 0.00 1.21 -0.62 0.00 0.00 178.44 179.00 2jsf n GLU 55 N -2.98 0.00 0.00 1.25 2.13 -1.26 -5.08 120.64 114.70 2jsf n GLU 55 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2jsf n GLU 55 Cb 0.03 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.74 2jsf n GLU 55 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2jsf n LYS 56 N -0.84 0.00 -1.06 5.31 5.02 -1.26 -4.96 118.16 120.37 2jsf n LYS 56 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2jsf n LYS 56 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.00 2jsf n LYS 56 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2jsf n ARG 57 N 0.00 0.00 -3.15 1.97 1.74 -1.26 -5.05 116.66 110.91 2jsf n ARG 57 Ca 0.00 -1.35 0.05 0.00 -0.77 0.00 0.00 57.85 55.78 2jsf n ARG 57 Cb 0.00 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.43 2jsf n ARG 57 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2jsf s HIS 58 N 0.00 -1.22 -0.76 -1.55 3.76 -1.26 -5.10 115.29 109.16 2jsf s HIS 58 Ca 0.15 1.03 -0.26 0.00 -0.15 0.00 0.00 55.06 55.83 2jsf s HIS 58 Cb 0.18 0.33 0.02 0.00 1.11 0.00 0.00 32.58 34.21 2jsf s HIS 58 CO -0.08 -0.69 1.49 0.54 -0.85 0.00 0.00 174.74 175.15 2jsf s VAL 59 N 2.89 3.64 -0.69 -0.90 0.11 -1.26 -4.76 120.40 119.44 2jsf s VAL 59 Ca 0.14 0.13 0.16 0.00 -2.93 0.00 0.00 61.98 59.48 2jsf s VAL 59 Cb -0.10 -4.65 0.69 0.00 -1.53 0.00 0.00 36.38 30.79 2jsf s VAL 59 CO -0.20 -1.58 1.60 -0.11 -3.33 0.00 0.00 175.10 171.48 2jsf n LEU 60 N 10.42 4.77 -4.83 2.54 7.94 -1.26 -4.96 117.00 131.61 2jsf n LEU 60 Ca 0.14 -2.66 -0.24 0.00 -1.11 0.00 0.00 56.01 52.14 2jsf n LEU 60 Cb 0.50 -0.58 -0.04 0.00 0.53 0.00 0.00 43.42 43.83 2jsf n LEU 60 CO 0.69 0.73 -0.05 -0.83 -1.11 0.00 0.00 177.39 176.83 2jsf s GLY 61 N -1.07 2.30 0.33 -3.96 0.00 -1.26 -4.08 107.32 99.57 2jsf s GLY 61 Ca 0.49 -1.75 0.08 0.00 0.00 0.00 0.00 44.72 43.53 2jsf s GLY 61 CO 0.19 -1.86 -0.05 -1.60 0.00 0.00 0.00 173.10 169.78 2jsf s ARG 62 N -4.09 1.72 -0.19 2.90 3.00 -1.07 -4.82 118.95 116.40 2jsf s ARG 62 Ca 0.41 -1.90 -0.02 0.00 -1.00 0.00 0.00 55.73 53.22 2jsf s ARG 62 Cb -0.00 -1.42 0.06 0.00 0.00 0.00 0.00 34.95 33.59 2jsf s ARG 62 CO 0.23 0.05 0.00 -1.17 0.00 0.00 0.00 175.30 174.41 2jsf s LEU 63 N -3.55 1.53 0.33 -0.88 1.98 -1.26 0.17 118.68 117.01 2jsf s LEU 63 Ca 0.32 -0.84 0.11 0.00 -2.89 0.00 0.00 54.13 50.83 2jsf s LEU 63 Cb 0.04 -0.77 0.58 0.00 0.66 0.00 0.00 46.19 46.71 2jsf s LEU 63 CO 0.15 -0.27 1.75 0.40 -1.89 0.00 0.00 176.35 176.49 2jsf h ILE 64 N 6.52 1.33 -0.75 6.68 1.08 0.12 -2.16 117.51 130.33 2jsf h ILE 64 Ca -0.18 -1.56 -0.39 0.00 -0.39 0.00 0.00 64.86 62.34 2jsf h ILE 64 Cb 1.11 1.83 -0.23 0.00 -3.07 0.00 0.00 36.82 36.46 2jsf h ILE 64 CO 0.36 0.45 0.37 0.41 -0.69 0.00 0.00 178.15 179.05 2jsf n THR 65 N -4.00 2.96 0.00 -0.27 -1.04 -1.11 -4.96 114.28 105.86 2jsf n THR 65 Ca -0.02 -2.25 0.00 0.00 -2.04 0.00 0.00 64.05 59.75 2jsf n THR 65 Cb 0.48 -0.41 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 2jsf n THR 65 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2jsf n VAL 66 N -1.13 0.00 -3.68 12.58 0.31 -0.82 -0.23 118.33 125.36 2jsf n VAL 66 Ca 0.50 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.61 2jsf n VAL 66 Cb 1.43 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 34.36 2jsf n VAL 66 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2jsf n ASN 67 N 0.00 -5.35 -3.41 4.52 5.15 -1.26 -4.88 115.26 110.03 2jsf n ASN 67 Ca 0.00 -0.83 -0.14 0.00 -0.60 0.00 0.00 54.58 53.01 2jsf n ASN 67 Cb 0.00 -2.38 0.13 0.00 -0.53 0.00 0.00 39.78 37.00 2jsf n ASN 67 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2jsf n PRO 68 N -2.67 -1.34 -3.90 1.20 -0.04 0.68 -3.66 135.00 125.27 2jsf n PRO 68 Ca -0.25 -0.65 -0.11 0.00 -0.04 0.00 0.00 63.50 62.46 2jsf n PRO 68 Cb 0.65 -1.26 -0.13 0.00 -0.04 0.00 0.00 33.50 32.72 2jsf n PRO 68 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2jsf s ILE 69 N -1.83 0.04 0.43 0.52 -1.09 -1.26 0.25 121.20 118.26 2jsf s ILE 69 Ca 0.30 -0.34 0.08 0.00 -2.23 0.00 0.00 60.65 58.45 2jsf s ILE 69 Cb -0.05 -0.14 0.01 0.00 -1.58 0.00 0.00 42.46 40.70 2jsf s ILE 69 CO 0.25 -0.19 0.59 -0.69 -1.23 0.00 0.00 174.94 173.66 2jsf s VAL 70 N -0.56 2.96 0.00 2.92 1.01 0.18 -4.89 120.40 122.01 2jsf s VAL 70 Ca -0.06 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.93 2jsf s VAL 70 Cb -0.04 -2.97 0.00 0.00 0.00 0.00 0.00 36.38 33.37 2jsf s VAL 70 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.10 175.51 2jsf n THR 71 N -1.88 0.00 -1.57 3.92 -1.04 -1.26 -2.38 114.28 110.07 2jsf n THR 71 Ca 0.08 -0.09 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 2jsf n THR 71 Cb 0.59 0.52 0.00 0.00 -1.82 0.00 0.00 70.33 69.62 2jsf n THR 71 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2jsf n GLU 72 N -0.90 0.00 -0.24 -2.82 1.02 -1.26 -3.73 120.64 112.70 2jsf n GLU 72 Ca 0.00 -0.78 0.00 0.00 -0.02 0.00 0.00 57.16 56.36 2jsf n GLU 72 Cb 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 2jsf n GLU 72 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2jsf n LYS 73 N 0.00 0.00 0.00 3.49 4.81 -1.26 -4.57 118.16 120.63 2jsf n LYS 73 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2jsf n LYS 73 Cb 0.61 -2.54 0.00 0.00 0.02 0.00 0.00 35.03 33.12 2jsf n LYS 73 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2jsf n ASP 74 N 0.00 0.13 -4.59 3.14 2.03 -1.26 -4.09 116.55 111.91 2jsf n ASP 74 Ca 0.00 -1.02 -0.42 0.00 0.52 0.00 0.00 54.79 53.87 2jsf n ASP 74 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 2jsf n ASP 74 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2jsf s SER 75 N -0.02 6.08 0.08 1.67 0.15 -1.26 -4.66 113.70 115.74 2jsf s SER 75 Ca 0.00 0.83 -0.37 0.00 0.70 0.00 0.00 55.95 57.11 2jsf s SER 75 Cb 0.00 -2.54 -0.17 0.00 -1.71 0.00 0.00 66.02 61.60 2jsf s SER 75 CO 0.00 -1.64 1.31 -0.81 1.20 0.00 0.00 173.24 173.30 2jsf n PRO 76 N 8.38 1.05 -4.72 5.44 -0.04 -1.26 -4.37 135.00 139.48 2jsf n PRO 76 Ca 0.18 0.38 -0.30 0.00 -0.04 0.00 0.00 63.50 63.72 2jsf n PRO 76 Cb 0.48 -2.00 -0.13 0.00 -0.04 0.00 0.00 33.50 31.80 2jsf n PRO 76 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2jsf s VAL 77 N 0.42 2.49 -0.14 0.52 1.01 0.31 -4.86 120.40 120.15 2jsf s VAL 77 Ca 0.85 -1.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.45 2jsf s VAL 77 Cb -0.98 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2jsf s VAL 77 CO 0.48 0.32 0.03 0.20 0.00 0.00 0.00 175.10 176.12 2jsf s ASN 78 N -1.44 5.39 -0.19 3.32 -0.87 -1.23 0.11 114.94 120.02 2jsf s ASN 78 Ca 0.14 0.10 -0.00 0.00 -1.57 0.00 0.00 52.86 51.52 2jsf s ASN 78 Cb -0.10 -1.76 0.01 0.00 -0.02 0.00 0.00 41.25 39.38 2jsf s ASN 78 CO 0.04 0.27 -0.16 -0.63 -2.57 0.00 0.00 177.10 174.05 2jsf s ILE 79 N -0.22 2.41 -0.48 0.60 1.01 0.36 -4.77 121.20 120.11 2jsf s ILE 79 Ca 0.06 -0.83 -0.18 0.00 0.00 0.00 0.00 60.65 59.70 2jsf s ILE 79 Cb -0.12 -2.04 0.05 0.00 0.01 0.00 0.00 42.46 40.35 2jsf s ILE 79 CO 0.02 0.50 0.55 -0.70 0.00 0.00 0.00 174.94 175.31 2jsf s GLU 80 N 1.34 3.11 0.06 2.79 2.56 -1.23 -0.59 118.70 126.73 2jsf s GLU 80 Ca 0.05 -0.89 0.06 0.00 0.00 0.00 0.00 54.97 54.19 2jsf s GLU 80 Cb -0.13 -4.06 -0.04 0.00 2.00 0.00 0.00 34.13 31.90 2jsf s GLU 80 CO -0.10 -1.09 -0.09 0.00 -0.56 0.00 0.00 175.26 173.42 2jsf s ALA 81 N 2.39 2.97 -0.64 6.30 0.00 0.95 0.16 121.76 133.89 2jsf s ALA 81 Ca 0.13 -1.15 0.03 0.00 0.00 0.00 0.00 51.96 50.97 2jsf s ALA 81 Cb -0.19 -0.99 0.37 0.00 0.00 0.00 0.00 23.12 22.31 2jsf s ALA 81 CO 0.12 0.63 1.36 -1.91 0.00 0.00 0.00 175.76 175.96 2jsf n GLU 82 N 1.08 3.51 -1.07 0.00 2.13 0.45 0.92 120.64 127.67 2jsf n GLU 82 Ca -0.14 -4.42 -0.31 0.00 0.66 0.00 0.00 57.16 52.95 2jsf n GLU 82 Cb 0.52 -2.28 0.12 0.00 0.27 0.00 0.00 31.44 30.07 2jsf n GLU 82 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2jsf s PRO 83 N -3.74 1.81 -0.96 5.31 0.04 -1.26 -2.59 135.00 133.61 2jsf s PRO 83 Ca 0.48 1.33 -0.26 0.00 0.04 0.00 0.00 61.00 62.59 2jsf s PRO 83 Cb 0.35 -1.83 -0.19 0.00 0.04 0.00 0.00 34.50 32.87 2jsf s PRO 83 CO -0.22 -2.01 2.24 -1.25 0.04 0.00 0.00 177.00 175.81 2jsf s PRO 84 N -4.77 1.37 1.88 0.56 0.04 -1.26 -4.72 135.00 128.11 2jsf s PRO 84 Ca 0.64 -0.04 0.00 0.00 0.04 0.00 0.00 61.00 61.63 2jsf s PRO 84 Cb -0.20 -4.90 0.00 0.00 0.04 0.00 0.00 34.50 29.45 2jsf s PRO 84 CO 0.56 -5.04 0.00 1.19 0.04 0.00 0.00 177.00 173.75 2jsf n PHE 85 N 19.21 -1.60 -1.51 0.56 3.01 -1.26 -4.49 117.46 131.39 2jsf n PHE 85 Ca 0.44 0.00 -0.47 0.00 1.01 0.00 0.00 57.45 58.43 2jsf n PHE 85 Cb 0.45 0.21 -0.05 0.00 -0.01 0.00 0.00 39.48 40.08 2jsf n PHE 85 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jsf n GLY 86 N 0.00 0.65 1.76 1.37 0.00 0.23 -4.78 105.19 104.42 2jsf n GLY 86 Ca 0.00 0.87 -0.09 0.00 0.00 0.00 0.00 46.02 46.79 2jsf n GLY 86 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jsf n ASP 87 N 10.92 5.84 0.00 1.61 5.75 -1.00 -1.60 116.55 138.07 2jsf n ASP 87 Ca 0.37 -2.72 0.00 0.00 -0.01 0.00 0.00 54.79 52.44 2jsf n ASP 87 Cb 0.33 -1.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.28 2jsf n ASP 87 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2jsf n SER 88 N 1.11 0.00 -4.55 -1.12 3.41 0.18 -3.76 113.62 108.88 2jsf n SER 88 Ca 0.18 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.39 2jsf n SER 88 Cb 0.57 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.49 2jsf n SER 88 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2jsf s TYR 89 N 0.00 2.21 0.88 7.33 2.02 -1.23 0.27 117.35 128.83 2jsf s TYR 89 Ca 0.00 0.14 -0.12 0.00 -0.37 0.00 0.00 57.07 56.72 2jsf s TYR 89 Cb 0.00 -4.52 0.12 0.00 -0.40 0.00 0.00 41.96 37.16 2jsf s TYR 89 CO 0.00 -2.08 1.12 -1.50 -1.57 0.00 0.00 175.55 171.52 2jsf s ILE 90 N 6.22 2.34 0.02 2.71 2.07 0.13 -4.64 121.20 130.05 2jsf s ILE 90 Ca 0.42 0.11 0.04 0.00 -1.41 0.00 0.00 60.65 59.81 2jsf s ILE 90 Cb -0.09 -2.83 -0.02 0.00 0.13 0.00 0.00 42.46 39.65 2jsf s ILE 90 CO 0.17 -0.15 -0.12 -0.63 -1.91 0.00 0.00 174.94 172.30 2jsf s ILE 91 N -3.21 0.95 -0.01 2.00 1.01 -0.10 -1.62 121.20 120.23 2jsf s ILE 91 Ca 0.63 -0.76 0.02 0.00 0.00 0.00 0.00 60.65 60.55 2jsf s ILE 91 Cb -0.15 -0.84 -0.00 0.00 0.01 0.00 0.00 42.46 41.48 2jsf s ILE 91 CO 0.54 0.09 -0.07 -0.63 0.00 0.00 0.00 174.94 174.86 2jsf s ILE 92 N -0.61 0.61 0.00 2.92 1.01 -0.59 -1.51 121.20 123.03 2jsf s ILE 92 Ca 0.02 -0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.37 2jsf s ILE 92 Cb -0.06 -0.53 0.00 0.00 0.01 0.00 0.00 42.46 41.87 2jsf s ILE 92 CO 0.00 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.74 2jsf n GLY 93 N 3.10 -1.49 3.31 6.18 0.00 -0.45 0.29 105.19 116.12 2jsf n GLY 93 Ca -0.16 -1.51 -0.25 0.00 0.00 0.00 0.00 46.02 44.11 2jsf n GLY 93 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jsf s VAL 94 N 0.00 1.83 0.00 1.61 -7.23 -1.26 -4.30 120.40 111.05 2jsf s VAL 94 Ca 0.00 -1.56 -0.00 0.00 -1.81 0.00 0.00 61.98 58.60 2jsf s VAL 94 Cb 0.00 -1.65 0.00 0.00 0.56 0.00 0.00 36.38 35.29 2jsf s VAL 94 CO 0.00 -0.00 0.03 -0.62 -0.31 0.00 0.00 175.10 174.20 2jsf n GLU 95 N 1.11 -0.01 -0.70 4.82 1.02 -1.26 0.51 120.64 126.14 2jsf n GLU 95 Ca -0.19 0.03 -0.30 0.00 -0.02 0.00 0.00 57.16 56.68 2jsf n GLU 95 Cb 0.53 -0.04 -0.08 0.00 -0.02 0.00 0.00 31.44 31.83 2jsf n GLU 95 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2jsf n PRO 96 N -4.02 0.00 -0.43 3.49 -0.04 -1.26 -2.13 135.00 130.61 2jsf n PRO 96 Ca 0.00 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.74 2jsf n PRO 96 Cb 0.01 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.36 2jsf n PRO 96 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jsf n GLY 97 N 4.61 0.76 3.40 0.55 0.00 -1.16 -4.64 105.19 108.71 2jsf n GLY 97 Ca 0.32 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.02 2jsf n GLY 97 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2jsf n GLN 98 N -2.29 -0.46 -2.78 1.61 7.27 0.18 -4.16 117.38 116.75 2jsf n GLN 98 Ca 0.00 -0.10 -0.20 0.00 0.07 0.00 0.00 57.00 56.78 2jsf n GLN 98 Cb 0.00 -1.84 0.03 0.00 2.41 0.00 0.00 30.24 30.84 2jsf n GLN 98 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2jsf s LEU 99 N -1.15 3.41 -0.13 1.69 1.43 0.82 -4.87 118.68 119.88 2jsf s LEU 99 Ca 0.57 -0.17 -0.17 0.00 -1.03 0.00 0.00 54.13 53.33 2jsf s LEU 99 Cb -0.20 -2.78 0.04 0.00 0.03 0.00 0.00 46.19 43.28 2jsf s LEU 99 CO 0.67 -1.01 0.44 -0.54 0.23 0.00 0.00 176.35 176.15 2jsf s LYS 100 N -4.61 0.60 -0.08 1.70 1.02 -1.26 -1.54 119.74 115.57 2jsf s LYS 100 Ca 0.57 0.44 -0.02 0.00 0.02 0.00 0.00 55.97 56.97 2jsf s LYS 100 Cb -0.10 0.29 0.04 0.00 -0.52 0.00 0.00 37.83 37.53 2jsf s LYS 100 CO 0.36 -0.11 0.05 -0.51 -0.92 0.00 0.00 175.35 174.23 2jsf s LEU 101 N -0.18 0.31 0.55 3.17 1.02 -0.64 -4.87 118.68 118.04 2jsf s LEU 101 Ca -0.04 -0.12 -0.22 0.00 0.02 0.00 0.00 54.13 53.78 2jsf s LEU 101 Cb -0.03 -0.24 -0.05 0.00 0.02 0.00 0.00 46.19 45.89 2jsf s LEU 101 CO 0.02 -0.26 1.37 -3.20 0.02 0.00 0.00 176.35 174.30 2jsf n ASN 102 N 5.26 2.74 -2.70 2.29 5.15 -1.25 0.20 115.26 126.94 2jsf n ASN 102 Ca -0.05 0.98 -0.06 0.00 -0.60 0.00 0.00 54.58 54.85 2jsf n ASN 102 Cb 0.50 -1.58 0.10 0.00 -0.53 0.00 0.00 39.78 38.26 2jsf n ASN 102 CO 0.00 0.00 0.00 1.87 1.40 0.00 0.00 177.26 180.53 2jsf n TRP 103 N -1.04 -1.72 -1.76 1.20 -0.00 0.77 -4.74 117.44 110.15 2jsf n TRP 103 Ca 0.10 -1.47 -0.43 0.00 -0.00 0.00 0.00 57.50 55.70 2jsf n TRP 103 Cb 0.45 1.43 -0.03 0.00 -0.00 0.00 0.00 31.31 33.15 2jsf n TRP 103 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 177.69 177.81 2jsf s PHE 104 N 0.16 1.42 0.00 5.87 5.36 -1.26 0.51 117.98 130.04 2jsf s PHE 104 Ca 0.20 0.57 0.00 0.00 -0.96 0.00 0.00 56.93 56.74 2jsf s PHE 104 Cb 0.29 -4.01 0.00 0.00 -0.34 0.00 0.00 43.02 38.96 2jsf s PHE 104 CO -0.11 -3.64 0.00 1.17 -1.46 0.00 0.00 175.22 171.18 2jsf n LYS 105 N 8.62 0.00 0.06 10.12 4.81 -0.63 -4.15 118.16 137.00 2jsf n LYS 105 Ca 0.27 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 2jsf n LYS 105 Cb 0.46 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.51 2jsf n LYS 105 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2jsf n LYS 106 N 0.00 0.00 0.00 1.64 4.81 -1.26 0.77 118.16 124.12 2jsf n LYS 106 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2jsf n LYS 106 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2jsf n LYS 106 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2jsf n GLY 107 N -1.39 -1.29 3.19 3.14 0.00 -1.26 -5.05 105.19 102.53 2jsf n GLY 107 Ca 0.00 0.46 -0.40 0.00 0.00 0.00 0.00 46.02 46.08 2jsf n GLY 107 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jsf s SER 108 N -4.00 5.75 -0.49 1.61 1.04 -1.26 -5.04 113.70 111.32 2jsf s SER 108 Ca 0.00 -2.44 -0.29 0.00 0.48 0.00 0.00 55.95 53.70 2jsf s SER 108 Cb 0.00 -1.99 0.02 0.00 0.10 0.00 0.00 66.02 64.15 2jsf s SER 108 CO 0.00 -0.54 1.29 -0.55 0.98 0.00 0.00 173.24 174.42 2jsf s SER 109 N 1.80 6.41 -0.19 7.02 0.15 -1.26 -4.84 113.70 122.78 2jsf s SER 109 Ca 0.13 0.49 0.12 0.00 0.70 0.00 0.00 55.95 57.39 2jsf s SER 109 Cb -0.20 -2.55 0.42 0.00 -1.71 0.00 0.00 66.02 61.98 2jsf s SER 109 CO -0.04 -1.44 1.21 0.00 1.20 0.00 0.00 173.24 174.18 2jsf n LEU 110 N 8.61 2.59 0.00 3.45 -0.00 -1.26 -4.76 117.00 125.62 2jsf n LEU 110 Ca 0.13 -3.73 0.00 0.00 -0.00 0.00 0.00 56.01 52.41 2jsf n LEU 110 Cb 0.49 -0.47 0.00 0.00 -0.00 0.00 0.00 43.42 43.44 2jsf n LEU 110 CO 0.71 1.33 0.00 1.21 -0.00 0.00 0.00 177.39 180.65 2jsf n GLU 111 N -0.94 0.00 -3.41 1.47 0.00 -1.26 -5.08 120.64 111.42 2jsf n GLU 111 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 57.16 56.96 2jsf n GLU 111 Cb 0.74 -0.12 -0.09 0.00 0.00 0.00 0.00 31.44 31.98 2jsf n GLU 111 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2jsf s HIS 112 N -1.00 3.29 0.00 4.31 2.46 -1.26 -4.98 115.29 118.11 2jsf s HIS 112 Ca 0.00 0.46 0.00 0.00 0.47 0.00 0.00 55.06 55.99 2jsf s HIS 112 Cb 0.00 -2.54 0.00 0.00 -0.13 0.00 0.00 32.58 29.91 2jsf s HIS 112 CO 0.00 -0.14 0.00 -2.39 -2.47 0.00 0.00 174.74 169.74 2jsf n HIS 113 N 4.99 0.00 -1.84 3.88 1.44 -1.26 -4.96 115.22 117.47 2jsf n HIS 113 Ca -0.09 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.62 2jsf n HIS 113 Cb 0.51 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.62 2jsf n HIS 113 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2jsf n HIS 114 N 0.00 0.00 0.00 -1.40 1.44 -1.26 -5.14 115.22 108.86 2jsf n HIS 114 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2jsf n HIS 114 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2jsf n HIS 114 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2jsf n HIS 115 N 0.16 0.00 0.00 -1.40 8.25 -1.26 -5.17 115.22 115.79 2jsf n HIS 115 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2jsf n HIS 115 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2jsf n HIS 115 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jsf n HIS 116 N -0.05 0.00 -0.12 4.41 -0.00 -1.26 -5.39 115.22 112.81 2jsf n HIS 116 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jsf n HIS 116 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2jsf n HIS 116 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38