#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 -4.56 6.12 8.00 -1.26 -4.80 116.55 120.05 2jsf n ASP 2 Ca 0.00 0.28 -0.26 0.00 0.71 0.00 0.00 54.79 55.52 2jsf n ASP 2 Cb 0.00 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.22 2jsf n ASP 2 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2jsf s LYS 3 N -0.56 1.48 0.38 -1.24 2.20 -1.26 -4.92 119.74 115.82 2jsf s LYS 3 Ca 0.00 -0.73 0.00 0.00 -0.36 0.00 0.00 55.97 54.88 2jsf s LYS 3 Cb 0.00 -2.16 0.00 0.00 -1.51 0.00 0.00 37.83 34.16 2jsf s LYS 3 CO 0.00 -1.68 0.00 1.28 -0.36 0.00 0.00 175.35 174.59 2jsf n LEU 4 N -3.12 -4.37 -0.65 5.43 4.32 -1.26 -5.03 117.00 112.32 2jsf n LEU 4 Ca 0.14 2.76 -0.00 0.00 -0.02 0.00 0.00 56.01 58.88 2jsf n LEU 4 Cb 0.60 -2.54 -0.00 0.00 -1.62 0.00 0.00 43.42 39.86 2jsf n LEU 4 CO 0.45 -0.18 0.04 0.00 -1.22 0.00 0.00 177.39 176.49 2jsf n GLN 5 N -0.13 0.01 -4.11 3.23 0.00 -1.26 -4.74 117.38 110.38 2jsf n GLN 5 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 57.00 56.85 2jsf n GLN 5 Cb 0.00 0.44 -0.07 0.00 0.00 0.00 0.00 30.24 30.60 2jsf n GLN 5 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2jsf s LEU 6 N -0.02 0.84 -0.29 2.61 2.96 -1.26 -5.03 118.68 118.48 2jsf s LEU 6 Ca 0.00 -1.24 0.05 0.00 -0.22 0.00 0.00 54.13 52.72 2jsf s LEU 6 Cb 0.00 1.07 0.55 0.00 0.50 0.00 0.00 46.19 48.31 2jsf s LEU 6 CO -0.00 -1.03 1.63 1.17 -1.32 0.00 0.00 176.35 176.80 2jsf n LYS 7 N -0.37 2.61 0.00 1.98 0.00 -1.26 -4.90 118.16 116.23 2jsf n LYS 7 Ca 0.01 -2.35 0.00 0.00 0.00 0.00 0.00 58.31 55.97 2jsf n LYS 7 Cb 0.64 -1.97 0.00 0.00 0.00 0.00 0.00 35.03 33.70 2jsf n LYS 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jsf n GLY 8 N -0.37 1.40 1.42 3.14 0.00 -1.26 -5.00 105.19 104.52 2jsf n GLY 8 Ca 0.38 -0.20 -0.07 0.00 0.00 0.00 0.00 46.02 46.13 2jsf n GLY 8 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2jsf n MET 9 N -0.13 1.79 -1.33 1.61 1.56 -1.26 -5.00 117.12 114.36 2jsf n MET 9 Ca 0.00 -1.29 0.11 0.00 -0.27 0.00 0.00 57.70 56.25 2jsf n MET 9 Cb 0.00 -1.57 -0.06 0.00 2.15 0.00 0.00 33.22 33.73 2jsf n MET 9 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 2jsf n SER 10 N -0.09 -7.18 0.00 6.12 7.64 -1.26 -5.05 113.62 113.80 2jsf n SER 10 Ca 0.22 1.43 0.00 0.00 1.01 0.00 0.00 58.87 61.53 2jsf n SER 10 Cb 0.92 -4.46 0.00 0.00 -1.01 0.00 0.00 64.21 59.66 2jsf n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jsf n TYR 11 N -3.63 -0.44 0.00 1.43 4.19 -1.26 -5.12 117.16 112.33 2jsf n TYR 11 Ca -0.06 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.15 2jsf n TYR 11 Cb 0.56 0.29 0.00 0.00 0.49 0.00 0.00 39.34 40.68 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 -1.87 0.00 0.00 2.98 2.88 -1.26 -4.95 113.62 111.40 2jsf n SER 12 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2jsf n SER 12 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2jsf n SER 12 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 2jsf n MET 13 N 0.00 0.00 -3.00 -1.46 0.00 -1.26 -3.92 117.12 107.48 2jsf n MET 13 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 57.70 57.30 2jsf n MET 13 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.17 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 4.36 0.97 0.00 0.00 -2.24 -1.26 -3.96 114.28 112.15 2jsf n THR 15 Ca 0.01 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.69 2jsf n THR 15 Cb 0.50 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 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 -0.66 -0.18 3.28 3.38 0.00 -1.26 -4.47 105.19 105.29 2jsf n GLY 16 Ca 0.06 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 2jsf n GLY 16 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jsf s LYS 17 N 0.00 1.00 0.07 1.61 2.20 -1.26 -4.28 119.74 119.07 2jsf s LYS 17 Ca 0.00 -0.93 0.07 0.00 -0.36 0.00 0.00 55.97 54.75 2jsf s LYS 17 Cb 0.00 0.39 -0.03 0.00 -1.51 0.00 0.00 37.83 36.68 2jsf s LYS 17 CO 0.00 -0.36 -0.19 -0.06 -0.36 0.00 0.00 175.35 174.38 2jsf s PHE 18 N -3.87 1.64 -0.25 4.03 0.40 -1.24 0.26 117.98 118.96 2jsf s PHE 18 Ca 0.07 -0.40 -0.02 0.00 -0.60 0.00 0.00 56.93 55.98 2jsf s PHE 18 Cb 0.03 -0.94 0.02 0.00 0.51 0.00 0.00 43.02 42.65 2jsf s PHE 18 CO -0.09 0.13 -0.05 0.21 0.70 0.00 0.00 175.22 176.12 2jsf s LYS 19 N -1.55 2.93 0.08 0.44 2.20 0.67 -4.70 119.74 119.82 2jsf s LYS 19 Ca 0.05 -0.92 -0.31 0.00 -0.36 0.00 0.00 55.97 54.43 2jsf s LYS 19 Cb -0.09 -3.02 -0.10 0.00 -1.51 0.00 0.00 37.83 33.11 2jsf s LYS 19 CO 0.03 -0.37 1.90 0.28 -0.36 0.00 0.00 175.35 176.82 2jsf n VAL 20 N 4.71 0.53 -0.03 4.02 0.31 -1.26 0.73 118.33 127.33 2jsf n VAL 20 Ca -0.17 -0.10 -0.01 0.00 -0.01 0.00 0.00 64.34 64.06 2jsf n VAL 20 Cb 0.48 -2.20 -0.14 0.00 -0.91 0.00 0.00 33.84 31.07 2jsf n VAL 20 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2jsf n VAL 21 N 5.05 0.96 -3.65 2.52 0.31 0.34 -4.81 118.33 119.05 2jsf n VAL 21 Ca 0.19 -0.71 -0.10 0.00 -0.01 0.00 0.00 64.34 63.71 2jsf n VAL 21 Cb 0.38 -0.43 -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 -2.90 0.70 0.87 5.55 2.20 0.56 -4.96 119.74 121.77 2jsf s LYS 22 Ca -0.07 1.08 -0.14 0.00 -0.36 0.00 0.00 55.97 56.48 2jsf s LYS 22 Cb 0.09 0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.63 2jsf s LYS 22 CO 0.85 -0.13 0.46 -1.91 -0.36 0.00 0.00 175.35 174.26 2jsf n GLU 23 N 3.74 -0.07 -1.59 4.03 2.13 -1.26 -2.74 120.64 124.88 2jsf n GLU 23 Ca -0.18 0.03 -0.50 0.00 0.66 0.00 0.00 57.16 57.17 2jsf n GLU 23 Cb 0.57 -1.86 -0.05 0.00 0.27 0.00 0.00 31.44 30.38 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 -3.18 0.54 -3.25 6.31 2.08 -1.25 -4.54 119.36 116.08 2jsf n ILE 24 Ca 0.08 -0.14 -0.19 0.00 0.56 0.00 0.00 62.75 63.07 2jsf n ILE 24 Cb 0.52 -0.89 -0.01 0.00 -0.75 0.00 0.00 39.64 38.52 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 0.09 4.33 -0.11 -1.39 0.00 0.81 -4.71 121.76 120.78 2jsf s ALA 25 Ca 0.77 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.98 2jsf s ALA 25 Cb -0.87 -1.38 -0.02 0.00 0.00 0.00 0.00 23.12 20.85 2jsf s ALA 25 CO 0.50 -0.25 -0.12 -1.83 0.00 0.00 0.00 175.76 174.05 2jsf s GLU 26 N -4.26 3.22 0.78 0.00 1.03 -1.26 0.24 118.70 118.45 2jsf s GLU 26 Ca 0.52 -0.67 -0.03 0.00 0.03 0.00 0.00 54.97 54.82 2jsf s GLU 26 Cb -0.07 -2.61 0.15 0.00 -0.80 0.00 0.00 34.13 30.80 2jsf s GLU 26 CO 0.31 0.31 1.06 0.95 -1.33 0.00 0.00 175.26 176.56 2jsf s THR 27 N 0.10 2.06 -0.38 1.83 -4.23 0.69 -4.87 115.64 110.84 2jsf s THR 27 Ca -0.05 -0.51 0.02 0.00 -1.18 0.00 0.00 61.69 59.97 2jsf s THR 27 Cb -0.15 -2.56 0.49 0.00 1.34 0.00 0.00 72.50 71.63 2jsf s THR 27 CO 0.04 0.00 1.78 0.00 -0.54 0.00 0.00 174.62 175.90 2jsf n GLN 28 N -3.02 2.04 -0.02 3.99 10.64 -1.26 -4.00 117.38 125.75 2jsf n GLN 28 Ca 0.16 -2.39 0.00 0.00 -1.83 0.00 0.00 57.00 52.94 2jsf n GLN 28 Cb 0.60 -1.94 0.00 0.00 -0.86 0.00 0.00 30.24 28.05 2jsf n GLN 28 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.06 175.95 2jsf n HIS 29 N -0.71 0.00 -0.12 2.61 8.25 -1.26 -4.97 115.22 119.01 2jsf n HIS 29 Ca 0.47 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.93 2jsf n HIS 29 Cb 1.27 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.38 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 -0.00 0.55 2.88 -1.41 0.00 -1.26 -5.07 105.19 100.89 2jsf n GLY 30 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 2jsf n GLY 30 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2jsf n THR 31 N -2.00 0.00 -4.28 2.61 -2.24 -1.26 -4.38 114.28 102.73 2jsf n THR 31 Ca 0.00 -1.29 -0.19 0.00 -2.27 0.00 0.00 64.05 60.30 2jsf n THR 31 Cb 0.00 -0.84 -0.08 0.00 -2.10 0.00 0.00 70.33 67.31 2jsf n THR 31 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 2jsf s ILE 32 N -1.96 0.00 -0.04 2.28 -4.36 0.48 -0.22 121.20 117.38 2jsf s ILE 32 Ca 0.47 -1.99 -0.01 0.00 -0.26 0.00 0.00 60.65 58.86 2jsf s ILE 32 Cb -0.03 -2.50 0.03 0.00 1.25 0.00 0.00 42.46 41.20 2jsf s ILE 32 CO 0.31 0.00 0.03 -0.69 0.24 0.00 0.00 174.94 174.83 2jsf s VAL 33 N -3.46 0.03 -0.30 8.37 1.01 0.65 -1.83 120.40 124.87 2jsf s VAL 33 Ca 0.41 0.27 -0.08 0.00 0.00 0.00 0.00 61.98 62.58 2jsf s VAL 33 Cb 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.19 2jsf s VAL 33 CO 0.27 0.17 0.11 -0.51 0.00 0.00 0.00 175.10 175.14 2jsf s ILE 34 N 1.69 4.22 -0.30 2.22 -1.16 -0.23 0.28 121.20 127.92 2jsf s ILE 34 Ca -0.01 -0.58 -0.13 0.00 -0.51 0.00 0.00 60.65 59.42 2jsf s ILE 34 Cb -0.13 -3.17 -0.03 0.00 0.61 0.00 0.00 42.46 39.74 2jsf s ILE 34 CO -0.03 0.07 0.26 -0.60 -2.81 0.00 0.00 174.94 171.83 2jsf s ARG 35 N 1.55 3.79 0.04 3.50 3.52 -1.11 0.11 118.95 130.35 2jsf s ARG 35 Ca 0.03 -0.36 -0.07 0.00 -0.13 0.00 0.00 55.73 55.20 2jsf s ARG 35 Cb -0.17 -3.72 -0.01 0.00 -1.56 0.00 0.00 34.95 29.50 2jsf s ARG 35 CO 0.04 -0.31 0.14 0.14 -0.81 0.00 0.00 175.30 174.50 2jsf s VAL 36 N 1.83 0.13 -0.24 7.11 -7.23 0.72 0.13 120.40 122.85 2jsf s VAL 36 Ca 0.09 -1.04 -0.08 0.00 -1.81 0.00 0.00 61.98 59.13 2jsf s VAL 36 Cb -0.16 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 2jsf s VAL 36 CO 0.11 -0.57 0.10 -1.58 -0.31 0.00 0.00 175.10 172.85 2jsf s GLN 37 N -2.71 3.85 0.04 4.82 -0.44 0.22 0.17 119.66 125.62 2jsf s GLN 37 Ca -0.04 -0.38 -0.30 0.00 -2.50 0.00 0.00 55.36 52.14 2jsf s GLN 37 Cb -0.00 -3.39 -0.09 0.00 -1.64 0.00 0.00 33.01 27.89 2jsf s GLN 37 CO -0.05 -0.03 1.95 -0.47 0.50 0.00 0.00 175.29 177.19 2jsf s TYR 38 N 1.23 1.38 -0.12 1.67 5.04 -1.25 -0.24 117.35 125.06 2jsf s TYR 38 Ca 0.06 -0.41 0.17 0.00 -2.44 0.00 0.00 57.07 54.45 2jsf s TYR 38 Cb -0.14 -4.24 -0.16 0.00 0.35 0.00 0.00 41.96 37.77 2jsf s TYR 38 CO 0.04 -5.48 0.73 0.39 -1.34 0.00 0.00 175.55 169.89 2jsf n GLU 39 N 7.34 0.63 0.00 4.97 1.02 0.73 -4.14 120.64 131.18 2jsf n GLU 39 Ca 0.20 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 2jsf n GLU 39 Cb 0.41 -1.77 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 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 1.43 -3.00 3.09 0.62 0.00 0.89 -4.56 105.19 103.66 2jsf n GLY 40 Ca -0.12 -1.27 -0.25 0.00 0.00 0.00 0.00 46.02 44.38 2jsf n GLY 40 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2jsf s ASP 41 N -1.81 1.93 0.00 1.61 -4.77 -1.26 -4.80 116.67 107.56 2jsf s ASP 41 Ca 0.00 -0.31 0.00 0.00 -3.30 0.00 0.00 52.55 48.94 2jsf s ASP 41 Cb 0.00 -0.57 0.00 0.00 -1.09 0.00 0.00 42.92 41.26 2jsf s ASP 41 CO 0.00 0.12 0.00 0.61 0.70 0.00 0.00 175.17 176.60 2jsf n GLY 42 N 3.25 0.07 7.00 2.12 0.00 -1.26 -4.71 105.19 111.66 2jsf n GLY 42 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.22 -4.51 1.61 2.88 -1.26 -4.35 113.62 106.77 2jsf n SER 43 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 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 0.10 -3.70 -1.46 -0.02 -1.19 -4.38 135.00 124.35 2jsf n PRO 44 Ca 0.00 -0.03 -0.12 0.00 -2.02 0.00 0.00 63.50 61.33 2jsf n PRO 44 Cb 0.00 -1.58 -0.01 0.00 -0.02 0.00 0.00 33.50 31.88 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 -2.57 2.58 -0.09 0.00 1.02 -1.25 -0.71 119.74 118.72 2jsf s LYS 46 Ca 0.23 -0.88 0.04 0.00 0.02 0.00 0.00 55.97 55.38 2jsf s LYS 46 Cb -0.02 -2.54 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 2jsf s LYS 46 CO 0.17 -0.64 -0.20 0.42 -0.92 0.00 0.00 175.35 174.17 2jsf s ILE 47 N -2.69 1.76 0.43 2.17 -1.09 0.22 -0.53 121.20 121.47 2jsf s ILE 47 Ca 0.57 -0.85 -0.25 0.00 -2.23 0.00 0.00 60.65 57.89 2jsf s ILE 47 Cb -0.10 -1.54 -0.08 0.00 -1.58 0.00 0.00 42.46 39.16 2jsf s ILE 47 CO 0.37 0.49 1.34 -2.84 -1.23 0.00 0.00 174.94 173.07 2jsf s PRO 48 N 0.41 3.84 0.15 2.79 0.02 -1.25 -4.08 135.00 136.87 2jsf s PRO 48 Ca -0.17 2.22 -0.15 0.00 0.02 0.00 0.00 61.00 62.93 2jsf s PRO 48 Cb -0.17 -2.69 0.02 0.00 0.02 0.00 0.00 34.50 31.68 2jsf s PRO 48 CO 0.07 -0.62 0.41 0.12 -0.33 0.00 0.00 177.00 176.65 2jsf s PHE 49 N -1.26 -0.07 0.00 6.54 5.36 -1.26 -1.34 117.98 125.96 2jsf s PHE 49 Ca 0.59 -0.27 0.00 0.00 -0.96 0.00 0.00 56.93 56.29 2jsf s PHE 49 Cb -0.39 0.24 0.00 0.00 -0.34 0.00 0.00 43.02 42.52 2jsf s PHE 49 CO 0.50 -0.76 0.00 -1.91 -1.46 0.00 0.00 175.22 171.59 2jsf n GLU 50 N -0.25 0.00 0.10 10.12 2.13 -0.38 -4.91 120.64 127.45 2jsf n GLU 50 Ca -0.13 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.56 2jsf n GLU 50 Cb 0.63 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 32.27 2jsf n GLU 50 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2jsf h ILE 51 N 0.00 0.90 0.00 6.31 2.04 -1.82 -1.60 117.51 123.34 2jsf h ILE 51 Ca 0.00 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2jsf h ILE 51 Cb 0.00 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2jsf h ILE 51 CO 0.00 0.03 0.00 0.23 0.00 0.00 0.00 178.15 178.41 2jsf n MET 52 N -5.14 0.00 0.00 2.37 2.81 -1.26 -3.29 117.12 112.61 2jsf n MET 52 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 2jsf n MET 52 Cb 0.12 -0.03 0.00 0.00 -0.71 0.00 0.00 33.22 32.60 2jsf n MET 52 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2jsf n ASP 53 N -2.80 -2.40 0.00 7.83 9.92 -1.26 -2.58 116.55 125.26 2jsf n ASP 53 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.38 2jsf n ASP 53 Cb 0.00 0.00 0.70 0.00 -0.64 0.00 0.00 41.12 41.18 2jsf n ASP 53 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2jsf n LEU 54 N 0.00 0.00 0.14 0.64 4.77 -1.25 -2.29 117.00 119.01 2jsf n LEU 54 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 2jsf n LEU 54 Cb 0.00 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.27 2jsf n LEU 54 CO 0.00 0.00 0.57 -0.33 -1.33 0.00 0.00 177.39 176.30 2jsf h GLU 55 N 0.00 0.00 0.00 3.23 3.07 -1.89 -3.39 114.58 115.61 2jsf h GLU 55 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 2jsf h GLU 55 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2jsf h GLU 55 CO 0.00 0.00 -1.21 1.63 -1.40 0.00 0.00 179.01 178.03 2jsf n LYS 56 N -2.66 0.08 0.00 2.33 4.76 -1.09 -5.11 118.16 116.48 2jsf n LYS 56 Ca 0.03 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 2jsf n LYS 56 Cb 0.50 -0.82 0.00 0.00 -1.84 0.00 0.00 35.03 32.87 2jsf n LYS 56 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2jsf n ARG 57 N -2.93 0.00 0.00 1.97 3.00 -0.97 -5.06 116.66 112.67 2jsf n ARG 57 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 2jsf n ARG 57 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.02 2jsf n ARG 57 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 2jsf n HIS 58 N 0.00 -1.23 -3.23 -0.14 -0.00 -1.26 -3.91 115.22 105.46 2jsf n HIS 58 Ca 0.00 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.79 2jsf n HIS 58 Cb 0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 29.80 2jsf n HIS 58 CO 0.00 0.00 0.00 0.14 0.46 0.00 0.00 176.34 176.94 2jsf s VAL 59 N -0.29 5.09 0.19 3.57 -7.23 -1.26 -4.42 120.40 116.05 2jsf s VAL 59 Ca 0.00 0.97 0.00 0.00 -1.81 0.00 0.00 61.98 61.14 2jsf s VAL 59 Cb 0.00 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 33.09 2jsf s VAL 59 CO 0.00 0.15 0.00 0.18 -0.31 0.00 0.00 175.10 175.12 2jsf n LEU 60 N 4.99 -0.12 -4.77 1.32 4.77 -1.26 -5.10 117.00 116.83 2jsf n LEU 60 Ca -0.04 0.32 -0.32 0.00 -0.03 0.00 0.00 56.01 55.94 2jsf n LEU 60 Cb 0.50 0.27 0.07 0.00 -2.33 0.00 0.00 43.42 41.93 2jsf n LEU 60 CO 0.42 -0.69 0.72 -0.83 -1.33 0.00 0.00 177.39 175.68 2jsf s GLY 61 N -5.00 1.92 0.16 -0.72 0.00 -1.26 -4.32 107.32 98.11 2jsf s GLY 61 Ca 0.00 0.40 -0.01 0.00 0.00 0.00 0.00 44.72 45.11 2jsf s GLY 61 CO 0.00 0.75 0.10 -1.60 0.00 0.00 0.00 173.10 172.35 2jsf s ARG 62 N -4.49 1.06 -0.19 2.90 3.52 0.22 -4.87 118.95 117.11 2jsf s ARG 62 Ca 0.64 -1.51 -0.00 0.00 -0.13 0.00 0.00 55.73 54.72 2jsf s ARG 62 Cb -0.19 0.26 0.01 0.00 -1.56 0.00 0.00 34.95 33.47 2jsf s ARG 62 CO 0.48 -0.33 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.33 2jsf s LEU 63 N -3.09 2.39 0.10 -0.88 1.98 -1.26 0.27 118.68 118.18 2jsf s LEU 63 Ca 0.30 -0.56 0.08 0.00 -2.89 0.00 0.00 54.13 51.07 2jsf s LEU 63 Cb 0.07 -1.56 -0.21 0.00 0.66 0.00 0.00 46.19 45.15 2jsf s LEU 63 CO 0.06 0.00 1.19 0.40 -1.89 0.00 0.00 176.35 176.12 2jsf h ILE 64 N 5.84 1.56 -0.89 6.68 5.03 0.31 -3.01 117.51 133.04 2jsf h ILE 64 Ca -0.43 -3.29 -0.56 0.00 -0.12 0.00 0.00 64.86 60.46 2jsf h ILE 64 Cb 1.15 2.77 -0.26 0.00 -3.03 0.00 0.00 36.82 37.45 2jsf h ILE 64 CO 0.62 0.89 0.72 0.41 -0.68 0.00 0.00 178.15 180.11 2jsf n THR 65 N -3.30 3.30 -0.80 -0.27 -1.04 -0.47 -4.93 114.28 106.76 2jsf n THR 65 Ca -0.03 -2.35 -0.31 0.00 -2.04 0.00 0.00 64.05 59.32 2jsf n THR 65 Cb 0.95 -0.98 -0.05 0.00 -1.82 0.00 0.00 70.33 68.43 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 -0.75 0.00 -3.09 12.58 0.31 -1.14 -1.67 118.33 124.57 2jsf n VAL 66 Ca 0.55 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.86 2jsf n VAL 66 Cb 0.93 -0.23 0.01 0.00 -0.91 0.00 0.00 33.84 33.64 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 1.83 -7.65 -4.42 4.52 4.05 -1.26 -4.91 115.26 107.42 2jsf n ASN 67 Ca 0.14 -0.14 -0.29 0.00 0.45 0.00 0.00 54.58 54.74 2jsf n ASN 67 Cb -0.03 -5.24 0.23 0.00 1.23 0.00 0.00 39.78 35.97 2jsf n ASN 67 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 2jsf s PRO 68 N -3.17 -0.68 -0.07 1.20 0.02 -0.67 -4.65 135.00 126.99 2jsf s PRO 68 Ca 0.04 0.54 -0.07 0.00 0.02 0.00 0.00 61.00 61.53 2jsf s PRO 68 Cb -0.01 -1.61 0.02 0.00 0.02 0.00 0.00 34.50 32.93 2jsf s PRO 68 CO 0.75 -3.48 0.20 0.42 -0.33 0.00 0.00 177.00 174.56 2jsf s ILE 69 N -2.69 0.01 0.47 2.83 1.01 -1.26 0.71 121.20 122.28 2jsf s ILE 69 Ca 0.68 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 61.25 2jsf s ILE 69 Cb -0.20 -0.31 0.00 0.00 0.01 0.00 0.00 42.46 41.96 2jsf s ILE 69 CO 0.61 -0.04 0.70 -0.69 0.00 0.00 0.00 174.94 175.51 2jsf s VAL 70 N -0.08 3.73 -0.01 2.92 1.01 0.11 -4.88 120.40 123.21 2jsf s VAL 70 Ca -0.02 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2jsf s VAL 70 Cb -0.02 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2jsf s VAL 70 CO 0.00 -0.27 0.02 0.41 0.00 0.00 0.00 175.10 175.26 2jsf n THR 71 N -2.14 0.05 -0.96 3.92 -1.04 -1.26 -2.41 114.28 110.43 2jsf n THR 71 Ca 0.03 -0.05 0.02 0.00 -2.04 0.00 0.00 64.05 62.00 2jsf n THR 71 Cb 0.58 -0.16 0.02 0.00 -1.82 0.00 0.00 70.33 68.96 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 -1.78 1.01 0.00 -2.82 1.02 -1.26 -3.17 120.64 113.64 2jsf n GLU 72 Ca -0.01 -1.22 0.00 0.00 -0.02 0.00 0.00 57.16 55.91 2jsf n GLU 72 Cb 0.26 -0.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.89 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 -0.37 0.00 0.00 3.49 4.81 -1.26 -4.56 118.16 120.27 2jsf n LYS 73 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 2jsf n LYS 73 Cb 0.50 -2.12 0.00 0.00 0.02 0.00 0.00 35.03 33.43 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 0.20 -4.62 3.14 -0.08 -1.26 -3.97 116.55 109.97 2jsf n ASP 74 Ca 0.00 -0.72 -0.43 0.00 -1.51 0.00 0.00 54.79 52.13 2jsf n ASP 74 Cb 0.00 0.10 -0.02 0.00 2.34 0.00 0.00 41.12 43.53 2jsf n ASP 74 CO 0.00 0.00 0.00 -0.55 0.12 0.00 0.00 177.20 176.77 2jsf s SER 75 N -0.10 6.37 -0.33 1.67 0.15 -1.26 -4.58 113.70 115.63 2jsf s SER 75 Ca 0.00 1.19 -0.36 0.00 0.70 0.00 0.00 55.95 57.49 2jsf s SER 75 Cb 0.00 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.66 2jsf s SER 75 CO 0.00 -1.34 2.14 -2.65 1.20 0.00 0.00 173.24 172.59 2jsf n PRO 76 N 7.83 1.15 -3.67 5.44 -0.02 -1.26 -4.44 135.00 140.04 2jsf n PRO 76 Ca 0.18 0.33 -0.35 0.00 -2.02 0.00 0.00 63.50 61.64 2jsf n PRO 76 Cb 0.47 -2.45 -0.05 0.00 -0.02 0.00 0.00 33.50 31.45 2jsf n PRO 76 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jsf s VAL 77 N 6.82 5.21 -0.20 -1.45 1.01 0.45 -4.65 120.40 127.60 2jsf s VAL 77 Ca 1.08 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 63.28 2jsf s VAL 77 Cb -0.86 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 31.87 2jsf s VAL 77 CO 0.50 0.36 0.13 0.20 0.00 0.00 0.00 175.10 176.29 2jsf s ASN 78 N -1.66 6.21 -0.27 3.32 -0.87 -1.23 -0.20 114.94 120.24 2jsf s ASN 78 Ca 0.29 0.24 -0.06 0.00 -1.57 0.00 0.00 52.86 51.76 2jsf s ASN 78 Cb -0.14 -2.09 0.00 0.00 -0.02 0.00 0.00 41.25 39.01 2jsf s ASN 78 CO 0.16 0.19 0.04 -0.63 -2.57 0.00 0.00 177.10 174.29 2jsf s ILE 79 N 0.29 3.75 -0.30 0.60 1.01 0.30 -4.74 121.20 122.10 2jsf s ILE 79 Ca 0.08 -0.66 -0.26 0.00 0.00 0.00 0.00 60.65 59.82 2jsf s ILE 79 Cb -0.11 -2.88 0.01 0.00 0.01 0.00 0.00 42.46 39.49 2jsf s ILE 79 CO -0.02 0.18 0.89 -0.70 0.00 0.00 0.00 174.94 175.29 2jsf s GLU 80 N 1.48 4.02 0.03 2.79 2.56 -1.25 -1.07 118.70 127.26 2jsf s GLU 80 Ca 0.03 0.80 0.02 0.00 0.00 0.00 0.00 54.97 55.82 2jsf s GLU 80 Cb -0.16 -3.72 -0.02 0.00 2.00 0.00 0.00 34.13 32.23 2jsf s GLU 80 CO 0.01 -0.74 -0.07 0.00 -0.56 0.00 0.00 175.26 173.90 2jsf s ALA 81 N 3.18 0.54 -0.82 6.30 0.00 -0.76 0.25 121.76 130.45 2jsf s ALA 81 Ca 0.37 -0.60 -0.07 0.00 0.00 0.00 0.00 51.96 51.66 2jsf s ALA 81 Cb -0.14 -0.01 0.21 0.00 0.00 0.00 0.00 23.12 23.19 2jsf s ALA 81 CO 0.13 0.02 0.71 -2.00 0.00 0.00 0.00 175.76 174.62 2jsf s GLU 82 N -1.12 3.29 0.71 0.00 2.12 0.77 -0.38 118.70 124.08 2jsf s GLU 82 Ca -0.06 -2.75 -0.11 0.00 0.36 0.00 0.00 54.97 52.41 2jsf s GLU 82 Cb -0.07 -4.13 0.01 0.00 0.26 0.00 0.00 34.13 30.20 2jsf s GLU 82 CO 0.00 -1.24 1.06 -1.25 -0.54 0.00 0.00 175.26 173.29 2jsf s PRO 83 N -0.41 2.86 0.00 4.30 0.04 -1.26 0.72 135.00 141.24 2jsf s PRO 83 Ca 0.21 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.16 2jsf s PRO 83 Cb -0.13 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2jsf s PRO 83 CO -0.08 -1.15 0.00 -0.35 0.04 0.00 0.00 177.00 175.47 2jsf n PRO 84 N -3.16 1.27 -0.84 0.56 -0.04 -1.26 -4.81 135.00 126.73 2jsf n PRO 84 Ca 0.07 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.19 2jsf n PRO 84 Cb 0.54 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.09 2jsf n PRO 84 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2jsf n PHE 85 N -0.70 -1.38 -1.74 0.54 3.72 -1.26 -4.50 117.46 112.15 2jsf n PHE 85 Ca 0.00 0.43 -0.19 0.00 -0.05 0.00 0.00 57.45 57.64 2jsf n PHE 85 Cb 0.00 -1.45 -0.10 0.00 -0.94 0.00 0.00 39.48 36.99 2jsf n PHE 85 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2jsf s GLY 86 N -1.39 -0.76 0.00 1.37 0.00 0.29 -4.41 107.32 102.42 2jsf s GLY 86 Ca 0.43 -1.63 0.00 0.00 0.00 0.00 0.00 44.72 43.52 2jsf s GLY 86 CO 0.63 4.08 0.00 2.09 0.00 0.00 0.00 173.10 179.90 2jsf n ASP 87 N 18.17 0.00 -0.22 1.64 5.68 0.14 -0.39 116.55 141.57 2jsf n ASP 87 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.71 2jsf n ASP 87 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2jsf n ASP 87 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2jsf n SER 88 N 0.00 0.00 -3.33 -1.12 7.64 -0.36 -4.87 113.62 111.58 2jsf n SER 88 Ca 0.00 -0.22 -0.09 0.00 1.01 0.00 0.00 58.87 59.57 2jsf n SER 88 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 2jsf n SER 88 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2jsf s TYR 89 N -3.03 -0.91 -0.45 1.43 2.02 -1.21 -1.64 117.35 113.57 2jsf s TYR 89 Ca 0.00 0.54 -0.28 0.00 -0.37 0.00 0.00 57.07 56.95 2jsf s TYR 89 Cb 0.00 -0.09 0.01 0.00 -0.40 0.00 0.00 41.96 41.48 2jsf s TYR 89 CO 0.00 -0.87 1.49 0.42 -1.57 0.00 0.00 175.55 175.02 2jsf s ILE 90 N 2.54 3.79 0.12 2.71 1.09 0.70 -3.89 121.20 128.26 2jsf s ILE 90 Ca 0.11 0.76 -0.17 0.00 -1.10 0.00 0.00 60.65 60.25 2jsf s ILE 90 Cb -0.14 -4.17 -0.07 0.00 -1.06 0.00 0.00 42.46 37.02 2jsf s ILE 90 CO -0.24 -0.82 0.58 -0.63 -0.10 0.00 0.00 174.94 173.73 2jsf s ILE 91 N 5.98 4.76 -0.00 2.92 1.01 -0.60 -0.74 121.20 134.53 2jsf s ILE 91 Ca 0.62 1.08 0.03 0.00 0.00 0.00 0.00 60.65 62.37 2jsf s ILE 91 Cb -0.14 -3.83 -0.01 0.00 0.01 0.00 0.00 42.46 38.49 2jsf s ILE 91 CO 0.30 0.39 -0.09 -0.63 0.00 0.00 0.00 174.94 174.91 2jsf s ILE 92 N -1.30 0.71 0.00 2.92 1.01 -0.67 -1.25 121.20 122.61 2jsf s ILE 92 Ca 0.34 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.54 2jsf s ILE 92 Cb -0.17 -0.61 0.00 0.00 0.01 0.00 0.00 42.46 41.69 2jsf s ILE 92 CO 0.19 0.15 0.00 0.61 0.00 0.00 0.00 174.94 175.89 2jsf n GLY 93 N 2.71 -1.07 3.22 6.18 0.00 -0.45 0.28 105.19 116.07 2jsf n GLY 93 Ca -0.14 -1.25 -0.17 0.00 0.00 0.00 0.00 46.02 44.45 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 1.21 0.09 1.61 -7.23 -1.26 -4.38 120.40 110.44 2jsf s VAL 94 Ca 0.00 -1.69 -0.08 0.00 -1.81 0.00 0.00 61.98 58.40 2jsf s VAL 94 Cb 0.00 -1.47 0.08 0.00 0.56 0.00 0.00 36.38 35.55 2jsf s VAL 94 CO 0.00 -0.45 0.65 -0.62 -0.31 0.00 0.00 175.10 174.37 2jsf n GLU 95 N 0.55 -0.11 -0.48 4.82 -0.58 -1.26 0.25 120.64 123.84 2jsf n GLU 95 Ca -0.16 0.65 0.36 0.00 -0.42 0.00 0.00 57.16 57.59 2jsf n GLU 95 Cb 0.57 -0.96 0.57 0.00 -0.57 0.00 0.00 31.44 31.05 2jsf n GLU 95 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 2jsf n PRO 96 N -4.61 -0.00 0.00 3.49 -0.02 -1.26 -3.06 135.00 129.54 2jsf n PRO 96 Ca 0.04 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 2jsf n PRO 96 Cb 0.16 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 2jsf n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jsf n GLY 97 N -1.61 0.00 3.79 -1.23 0.00 0.37 -5.04 105.19 101.47 2jsf n GLY 97 Ca 0.31 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.02 2jsf n GLY 97 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jsf s GLN 98 N 0.00 2.51 0.58 1.61 0.74 0.71 -3.66 119.66 122.15 2jsf s GLN 98 Ca 0.00 1.05 0.09 0.00 0.05 0.00 0.00 55.36 56.55 2jsf s GLN 98 Cb 0.00 -1.93 0.09 0.00 1.10 0.00 0.00 33.01 32.26 2jsf s GLN 98 CO 0.00 -1.43 0.76 -0.51 -0.55 0.00 0.00 175.29 173.56 2jsf s LEU 99 N -5.77 3.01 -0.23 3.68 1.43 0.80 -4.86 118.68 116.73 2jsf s LEU 99 Ca 0.60 -0.93 -0.18 0.00 -1.03 0.00 0.00 54.13 52.59 2jsf s LEU 99 Cb -0.16 -1.50 0.06 0.00 0.03 0.00 0.00 46.19 44.63 2jsf s LEU 99 CO 0.56 -1.36 0.60 -0.75 0.23 0.00 0.00 176.35 175.62 2jsf s LYS 100 N -4.65 0.65 -0.07 1.70 2.20 -1.26 -1.67 119.74 116.65 2jsf s LYS 100 Ca 0.59 0.94 -0.02 0.00 -0.36 0.00 0.00 55.97 57.12 2jsf s LYS 100 Cb -0.05 0.22 0.03 0.00 -1.51 0.00 0.00 37.83 36.53 2jsf s LYS 100 CO 0.37 -0.12 0.03 -0.51 -0.36 0.00 0.00 175.35 174.77 2jsf s LEU 101 N 0.88 0.46 -0.05 5.43 1.02 0.09 -4.90 118.68 121.61 2jsf s LEU 101 Ca -0.04 -0.11 -0.22 0.00 0.02 0.00 0.00 54.13 53.78 2jsf s LEU 101 Cb -0.05 -0.34 -0.04 0.00 0.02 0.00 0.00 46.19 45.77 2jsf s LEU 101 CO -0.07 -0.23 0.63 0.54 0.02 0.00 0.00 176.35 177.23 2jsf s ASN 102 N 2.04 6.94 -0.18 2.29 4.22 -1.26 0.25 114.94 129.24 2jsf s ASN 102 Ca 0.04 1.12 -0.03 0.00 -2.14 0.00 0.00 52.86 51.86 2jsf s ASN 102 Cb -0.13 -2.37 -0.02 0.00 1.28 0.00 0.00 41.25 40.01 2jsf s ASN 102 CO -0.05 -0.01 -0.05 0.86 -2.04 0.00 0.00 177.10 175.81 2jsf s TRP 103 N 0.38 2.96 0.15 1.54 -0.00 -0.65 -4.90 118.94 118.43 2jsf s TRP 103 Ca 0.33 -0.58 0.09 0.00 -0.00 0.00 0.00 56.10 55.94 2jsf s TRP 103 Cb -0.18 -1.99 -0.04 0.00 -0.00 0.00 0.00 33.47 31.26 2jsf s TRP 103 CO 0.17 -0.25 -0.13 0.12 -0.00 0.00 0.00 176.95 176.85 2jsf s PHE 104 N 0.78 2.60 0.00 5.86 2.19 -1.26 0.26 117.98 128.40 2jsf s PHE 104 Ca -0.02 -0.23 0.00 0.00 0.33 0.00 0.00 56.93 57.01 2jsf s PHE 104 Cb -0.15 -1.32 0.00 0.00 -1.31 0.00 0.00 43.02 40.24 2jsf s PHE 104 CO 0.02 0.46 0.00 1.63 1.83 0.00 0.00 175.22 179.16 2jsf n LYS 105 N 0.39 0.00 0.00 10.12 4.76 0.47 -4.73 118.16 129.17 2jsf n LYS 105 Ca -0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 2jsf n LYS 105 Cb 0.54 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 2jsf n LYS 105 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2jsf n LYS 106 N 0.00 1.87 -2.51 1.97 0.00 -1.26 -0.55 118.16 117.67 2jsf n LYS 106 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 58.00 2jsf n LYS 106 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.03 2jsf n LYS 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jsf n GLY 107 N 0.00 5.83 7.00 3.14 0.00 -1.26 -4.39 105.19 115.51 2jsf n GLY 107 Ca 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.32 2jsf n GLY 107 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jsf n SER 108 N -0.38 0.00 -2.73 1.61 7.64 -1.26 -4.56 113.62 113.93 2jsf n SER 108 Ca 0.41 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 60.21 2jsf n SER 108 Cb 0.46 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.72 2jsf n SER 108 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2jsf n SER 109 N -1.47 -2.62 0.00 6.43 7.64 -1.26 -4.99 113.62 117.34 2jsf n SER 109 Ca 0.00 -3.01 0.00 0.00 1.01 0.00 0.00 58.87 56.87 2jsf n SER 109 Cb 0.00 1.63 0.00 0.00 -1.01 0.00 0.00 64.21 64.83 2jsf n SER 109 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2jsf n LEU 110 N 1.66 1.27 -4.42 -3.43 0.00 -1.26 -5.05 117.00 105.77 2jsf n LEU 110 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 56.01 55.68 2jsf n LEU 110 Cb 0.64 0.00 0.01 0.00 0.00 0.00 0.00 43.42 44.07 2jsf n LEU 110 CO 0.01 0.21 -0.05 -1.84 0.00 0.00 0.00 177.39 175.71 2jsf n GLU 111 N -2.20 0.44 -0.04 1.96 0.28 -1.26 -4.98 120.64 114.85 2jsf n GLU 111 Ca 0.00 0.16 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 2jsf n GLU 111 Cb 0.49 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.92 2jsf n GLU 111 CO 0.00 0.00 0.00 1.58 -0.16 0.00 0.00 177.13 178.55 2jsf n HIS 112 N -1.10 -0.20 -2.71 -1.84 -0.00 -1.26 -5.14 115.22 102.97 2jsf n HIS 112 Ca 0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.29 2jsf n HIS 112 Cb 0.42 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.29 2jsf n HIS 112 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jsf n HIS 113 N -0.08 -0.11 -2.71 1.57 8.25 -1.26 -5.11 115.22 115.77 2jsf n HIS 113 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 2jsf n HIS 113 Cb 0.00 0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.20 2jsf n HIS 113 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2jsf n HIS 114 N 0.00 -2.14 -0.28 4.41 1.44 -1.26 -5.15 115.22 112.24 2jsf n HIS 114 Ca 0.00 -1.71 0.00 0.00 -2.01 0.00 0.00 57.72 54.00 2jsf n HIS 114 Cb 0.00 1.51 0.00 0.00 0.12 0.00 0.00 29.99 31.62 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 0.20 -1.39 -4.06 -1.40 8.25 -1.26 -5.09 115.22 110.48 2jsf n HIS 115 Ca 0.00 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.19 2jsf n HIS 115 Cb 0.73 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.83 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 -0.90 -0.23 -0.46 4.41 -0.00 -1.26 -5.36 115.22 111.42 2jsf n HIS 116 Ca 0.00 -2.38 0.00 0.00 0.46 0.00 0.00 57.72 55.80 2jsf n HIS 116 Cb 0.00 -0.43 0.00 0.00 -0.12 0.00 0.00 29.99 29.44 2jsf n HIS 116 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38