#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsf s ASP 2 N 0.00 -0.15 0.00 7.83 -4.77 -1.26 -5.04 116.67 113.28 2jsf s ASP 2 Ca 0.00 -0.49 0.00 0.00 -3.30 0.00 0.00 52.55 48.76 2jsf s ASP 2 Cb 0.00 0.53 0.00 0.00 -1.09 0.00 0.00 42.92 42.36 2jsf s ASP 2 CO 0.00 -1.00 0.00 0.29 0.70 0.00 0.00 175.17 175.16 2jsf n LYS 3 N -0.50 0.00 0.00 2.11 5.02 -1.26 -4.46 118.16 119.07 2jsf n LYS 3 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.23 2jsf n LYS 3 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 2jsf n LYS 3 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 2jsf n LEU 4 N 0.00 0.00 0.00 -0.35 7.94 -1.26 -5.03 117.00 118.30 2jsf n LEU 4 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2jsf n LEU 4 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2jsf n LEU 4 CO 0.00 -0.03 0.00 0.00 -1.11 0.00 0.00 177.39 176.25 2jsf n GLN 5 N 0.00 0.00 0.00 1.96 6.02 -1.26 -5.00 117.38 119.10 2jsf n GLN 5 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2jsf n GLN 5 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 2jsf n GLN 5 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jsf n LEU 6 N 0.00 0.00 0.00 1.08 4.32 -1.26 -4.85 117.00 116.29 2jsf n LEU 6 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2jsf n LEU 6 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2jsf n LEU 6 CO 0.00 -0.16 0.00 1.17 -1.22 0.00 0.00 177.39 177.18 2jsf n LYS 7 N -0.13 0.00 -1.08 3.23 0.00 -1.26 -4.99 118.16 113.94 2jsf n LYS 7 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2jsf n LYS 7 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 0.00 0.48 0.67 3.14 0.00 -1.26 -5.00 105.19 103.22 2jsf n GLY 8 Ca 0.00 -0.26 0.08 0.00 0.00 0.00 0.00 46.02 45.84 2jsf n GLY 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2jsf n MET 9 N -0.53 2.64 -2.05 1.61 2.81 -1.26 -5.02 117.12 115.32 2jsf n MET 9 Ca 0.00 -2.62 -0.30 0.00 -1.81 0.00 0.00 57.70 52.97 2jsf n MET 9 Cb 0.27 -1.66 0.02 0.00 -0.71 0.00 0.00 33.22 31.14 2jsf n MET 9 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2jsf s SER 10 N -1.92 5.86 0.00 7.83 0.15 -1.26 -4.99 113.70 119.37 2jsf s SER 10 Ca 0.36 1.15 0.00 0.00 0.70 0.00 0.00 55.95 58.16 2jsf s SER 10 Cb 0.28 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.46 2jsf s SER 10 CO 0.08 -1.03 0.00 0.00 1.20 0.00 0.00 173.24 173.49 2jsf n TYR 11 N -2.76 0.00 -0.42 3.44 4.19 -1.26 -5.02 117.16 115.33 2jsf n TYR 11 Ca 0.05 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.26 2jsf n TYR 11 Cb 0.56 0.26 0.00 0.00 0.49 0.00 0.00 39.34 40.65 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 -1.89 0.08 -2.88 2.98 2.88 -1.26 -4.94 113.62 108.59 2jsf n SER 12 Ca 0.00 -0.54 -0.06 0.00 -1.33 0.00 0.00 58.87 56.94 2jsf n SER 12 Cb 0.00 0.08 0.01 0.00 -0.75 0.00 0.00 64.21 63.54 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 -0.08 -2.67 -1.55 -1.46 0.00 -1.26 -4.64 117.12 105.47 2jsf n MET 13 Ca 0.00 2.26 -0.32 0.00 -0.00 0.00 0.00 57.70 59.64 2jsf n MET 13 Cb 0.11 -4.85 -0.05 0.00 0.00 0.00 0.00 33.22 28.43 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 8.04 0.00 0.00 0.00 -2.24 -1.26 -4.23 114.28 114.59 2jsf n THR 15 Ca 0.42 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2jsf n THR 15 Cb 0.47 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.67 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 1.32 -0.96 3.34 3.38 0.00 -1.26 -4.50 105.19 106.51 2jsf n GLY 16 Ca 0.14 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 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 1.51 0.06 1.61 2.20 -1.26 -4.38 119.74 119.49 2jsf s LYS 17 Ca 0.00 -1.68 0.03 0.00 -0.36 0.00 0.00 55.97 53.97 2jsf s LYS 17 Cb 0.00 0.35 -0.03 0.00 -1.51 0.00 0.00 37.83 36.64 2jsf s LYS 17 CO 0.00 -0.56 -0.10 -0.06 -0.36 0.00 0.00 175.35 174.26 2jsf s PHE 18 N -3.77 0.93 -0.23 4.03 0.40 -1.26 0.40 117.98 118.48 2jsf s PHE 18 Ca 0.35 -0.52 0.00 0.00 -0.60 0.00 0.00 56.93 56.16 2jsf s PHE 18 Cb 0.03 -0.53 0.03 0.00 0.51 0.00 0.00 43.02 43.06 2jsf s PHE 18 CO 0.17 -0.02 -0.12 0.21 0.70 0.00 0.00 175.22 176.15 2jsf s LYS 19 N -1.89 2.78 0.11 0.44 2.20 -0.11 -4.67 119.74 118.61 2jsf s LYS 19 Ca -0.04 -0.99 -0.31 0.00 -0.36 0.00 0.00 55.97 54.27 2jsf s LYS 19 Cb -0.08 -2.82 -0.11 0.00 -1.51 0.00 0.00 37.83 33.31 2jsf s LYS 19 CO 0.01 -0.36 1.85 0.28 -0.36 0.00 0.00 175.35 176.77 2jsf n VAL 20 N 4.61 0.41 -0.05 4.02 0.31 -1.26 0.56 118.33 126.92 2jsf n VAL 20 Ca -0.18 -0.07 -0.02 0.00 -0.01 0.00 0.00 64.34 64.06 2jsf n VAL 20 Cb 0.47 -2.14 -0.15 0.00 -0.91 0.00 0.00 33.84 31.11 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 4.79 0.95 -3.65 2.52 0.31 0.29 -4.80 118.33 118.74 2jsf n VAL 21 Ca 0.18 -0.73 -0.10 0.00 -0.01 0.00 0.00 64.34 63.69 2jsf n VAL 21 Cb 0.38 -0.38 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 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 -2.87 0.68 0.96 5.55 2.20 0.31 -4.94 119.74 121.63 2jsf s LYS 22 Ca -0.08 1.05 -0.13 0.00 -0.36 0.00 0.00 55.97 56.44 2jsf s LYS 22 Cb 0.09 0.20 0.01 0.00 -1.51 0.00 0.00 37.83 36.62 2jsf s LYS 22 CO 0.85 -0.13 0.22 -1.91 -0.36 0.00 0.00 175.35 174.02 2jsf n GLU 23 N 3.74 -0.27 -1.67 4.03 2.13 -1.26 -2.77 120.64 124.56 2jsf n GLU 23 Ca -0.18 -0.05 -0.45 0.00 0.66 0.00 0.00 57.16 57.14 2jsf n GLU 23 Cb 0.57 -1.73 -0.03 0.00 0.27 0.00 0.00 31.44 30.52 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 -3.46 0.58 -3.81 6.31 2.08 -1.26 -4.49 119.36 115.31 2jsf n ILE 24 Ca 0.05 -0.14 -0.22 0.00 0.56 0.00 0.00 62.75 63.00 2jsf n ILE 24 Cb 0.54 -1.52 -0.05 0.00 -0.75 0.00 0.00 39.64 37.86 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 0.32 3.83 -0.09 -1.39 0.00 0.80 -4.79 121.76 120.44 2jsf s ALA 25 Ca 0.72 -1.88 0.02 0.00 0.00 0.00 0.00 51.96 50.82 2jsf s ALA 25 Cb -0.65 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 2jsf s ALA 25 CO 0.45 -0.12 -0.15 -1.83 0.00 0.00 0.00 175.76 174.11 2jsf s GLU 26 N -4.01 2.93 0.62 0.00 1.03 -1.26 0.28 118.70 118.29 2jsf s GLU 26 Ca 0.44 -0.71 -0.00 0.00 0.03 0.00 0.00 54.97 54.72 2jsf s GLU 26 Cb -0.02 -2.48 0.06 0.00 -0.80 0.00 0.00 34.13 30.90 2jsf s GLU 26 CO 0.26 0.40 0.87 0.95 -1.33 0.00 0.00 175.26 176.40 2jsf s THR 27 N -0.15 2.47 -0.19 1.83 -4.23 -0.23 -4.87 115.64 110.28 2jsf s THR 27 Ca -0.01 -0.59 0.01 0.00 -1.18 0.00 0.00 61.69 59.92 2jsf s THR 27 Cb -0.14 -2.88 0.25 0.00 1.34 0.00 0.00 72.50 71.08 2jsf s THR 27 CO 0.03 0.00 1.43 0.00 -0.54 0.00 0.00 174.62 175.54 2jsf n GLN 28 N -2.56 1.51 0.00 3.99 10.64 -1.26 -3.63 117.38 126.07 2jsf n GLN 28 Ca 0.10 -1.19 0.00 0.00 -1.83 0.00 0.00 57.00 54.08 2jsf n GLN 28 Cb 0.60 -1.47 0.00 0.00 -0.86 0.00 0.00 30.24 28.51 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 -0.08 0.00 -0.26 2.61 8.25 -1.26 -4.97 115.22 119.51 2jsf n HIS 29 Ca 0.24 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 2jsf n HIS 29 Cb 0.92 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.02 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 -0.11 0.87 3.26 -1.41 0.00 -1.24 -5.07 105.19 101.48 2jsf n GLY 30 Ca 0.00 -0.01 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.26 0.00 -4.00 2.61 -2.24 -1.26 -3.98 114.28 103.15 2jsf n THR 31 Ca 0.00 -1.77 -0.09 0.00 -2.27 0.00 0.00 64.05 59.92 2jsf n THR 31 Cb 0.00 -0.29 -0.11 0.00 -2.10 0.00 0.00 70.33 67.83 2jsf n THR 31 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2jsf s ILE 32 N -2.21 0.17 -0.08 2.28 1.01 0.10 -1.07 121.20 121.40 2jsf s ILE 32 Ca 0.36 -0.99 0.04 0.00 0.00 0.00 0.00 60.65 60.06 2jsf s ILE 32 Cb -0.03 -0.38 -0.01 0.00 0.01 0.00 0.00 42.46 42.05 2jsf s ILE 32 CO 0.23 -0.52 -0.20 -0.69 0.00 0.00 0.00 174.94 173.76 2jsf s VAL 33 N -1.60 2.49 -0.20 2.92 1.01 0.81 -0.60 120.40 125.23 2jsf s VAL 33 Ca -0.14 -0.90 -0.01 0.00 0.00 0.00 0.00 61.98 60.94 2jsf s VAL 33 Cb -0.09 -1.96 0.01 0.00 0.00 0.00 0.00 36.38 34.34 2jsf s VAL 33 CO -0.01 0.56 -0.14 -0.51 0.00 0.00 0.00 175.10 175.00 2jsf s ILE 34 N -0.08 2.57 -0.25 2.22 -1.16 -0.08 0.28 121.20 124.71 2jsf s ILE 34 Ca -0.05 -0.77 -0.10 0.00 -0.51 0.00 0.00 60.65 59.22 2jsf s ILE 34 Cb -0.14 -2.13 -0.05 0.00 0.61 0.00 0.00 42.46 40.75 2jsf s ILE 34 CO 0.04 0.49 0.15 -0.60 -2.81 0.00 0.00 174.94 172.21 2jsf s ARG 35 N 1.36 3.98 0.12 3.50 3.52 -1.11 0.88 118.95 131.20 2jsf s ARG 35 Ca 0.05 -0.31 -0.11 0.00 -0.13 0.00 0.00 55.73 55.23 2jsf s ARG 35 Cb -0.14 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.75 2jsf s ARG 35 CO -0.09 -0.01 0.28 0.14 -0.81 0.00 0.00 175.30 174.81 2jsf s VAL 36 N 1.23 0.10 -0.20 7.11 -7.23 0.96 0.11 120.40 122.48 2jsf s VAL 36 Ca 0.07 -1.06 -0.06 0.00 -1.81 0.00 0.00 61.98 59.12 2jsf s VAL 36 Cb -0.14 -1.43 -0.03 0.00 0.56 0.00 0.00 36.38 35.33 2jsf s VAL 36 CO 0.06 -0.46 0.02 -1.58 -0.31 0.00 0.00 175.10 172.83 2jsf s GLN 37 N -3.87 3.69 0.09 4.82 0.74 0.19 0.17 119.66 125.49 2jsf s GLN 37 Ca 0.08 -0.48 -0.31 0.00 0.05 0.00 0.00 55.36 54.70 2jsf s GLN 37 Cb 0.03 -3.12 -0.10 0.00 1.10 0.00 0.00 33.01 30.93 2jsf s GLN 37 CO -0.08 0.06 1.90 0.98 -0.55 0.00 0.00 175.29 177.60 2jsf n TYR 38 N 4.12 2.59 -0.03 1.67 9.36 -1.26 -0.94 117.16 132.68 2jsf n TYR 38 Ca -0.17 -0.26 0.03 0.00 3.32 0.00 0.00 57.90 60.82 2jsf n TYR 38 Cb 0.52 -2.77 -0.15 0.00 -0.63 0.00 0.00 39.34 36.31 2jsf n TYR 38 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2jsf n GLU 39 N 6.49 0.66 0.00 2.98 -0.58 0.16 -4.08 120.64 126.28 2jsf n GLU 39 Ca 0.19 -0.08 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 2jsf n GLU 39 Cb 0.39 -1.56 0.00 0.00 -0.57 0.00 0.00 31.44 29.70 2jsf n GLU 39 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jsf n GLY 40 N 1.43 -2.76 3.19 0.62 0.00 0.32 -4.53 105.19 103.46 2jsf n GLY 40 Ca -0.14 -1.31 -0.22 0.00 0.00 0.00 0.00 46.02 44.35 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 -1.72 1.96 0.00 1.61 -1.08 -1.26 -4.81 116.67 111.37 2jsf s ASP 41 Ca 0.00 -0.52 0.00 0.00 -0.52 0.00 0.00 52.55 51.51 2jsf s ASP 41 Cb 0.00 -0.13 0.00 0.00 -1.46 0.00 0.00 42.92 41.33 2jsf s ASP 41 CO 0.00 0.06 0.00 0.61 0.52 0.00 0.00 175.17 176.36 2jsf n GLY 42 N 1.73 0.12 7.00 2.66 0.00 -1.26 -4.72 105.19 110.72 2jsf n GLY 42 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.86 -4.51 1.61 2.88 -1.26 -4.33 113.62 107.14 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 0.11 -4.09 -1.46 -0.02 -1.22 -4.40 135.00 123.91 2jsf n PRO 44 Ca 0.00 -0.03 -0.11 0.00 -2.02 0.00 0.00 63.50 61.34 2jsf n PRO 44 Cb 0.00 -1.63 -0.07 0.00 -0.02 0.00 0.00 33.50 31.79 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 -3.93 1.54 -0.12 0.00 1.02 -1.26 0.80 119.74 117.79 2jsf s LYS 46 Ca 0.30 -0.58 0.02 0.00 0.02 0.00 0.00 55.97 55.73 2jsf s LYS 46 Cb 0.02 -2.12 0.01 0.00 -0.52 0.00 0.00 37.83 35.22 2jsf s LYS 46 CO 0.12 -1.68 -0.18 0.42 -0.92 0.00 0.00 175.35 173.11 2jsf s ILE 47 N -3.42 1.73 0.51 2.17 -1.09 0.52 -1.49 121.20 120.13 2jsf s ILE 47 Ca 0.66 -0.79 -0.22 0.00 -2.23 0.00 0.00 60.65 58.08 2jsf s ILE 47 Cb -0.07 -1.55 -0.06 0.00 -1.58 0.00 0.00 42.46 39.20 2jsf s ILE 47 CO 0.47 0.49 1.25 -2.84 -1.23 0.00 0.00 174.94 173.08 2jsf s PRO 48 N 0.86 3.41 0.14 2.79 0.02 -1.26 -3.83 135.00 137.13 2jsf s PRO 48 Ca -0.08 1.97 -0.19 0.00 0.02 0.00 0.00 61.00 62.73 2jsf s PRO 48 Cb -0.15 -2.29 0.05 0.00 0.02 0.00 0.00 34.50 32.12 2jsf s PRO 48 CO -0.01 -0.89 0.47 0.12 -0.33 0.00 0.00 177.00 176.36 2jsf s PHE 49 N -1.45 -0.32 -0.30 6.54 5.36 -1.26 -1.35 117.98 125.20 2jsf s PHE 49 Ca 0.68 0.05 -0.17 0.00 -0.96 0.00 0.00 56.93 56.54 2jsf s PHE 49 Cb -0.34 0.36 0.18 0.00 -0.34 0.00 0.00 43.02 42.89 2jsf s PHE 49 CO 0.40 -0.75 1.17 -2.00 -1.46 0.00 0.00 175.22 172.58 2jsf s GLU 50 N -3.76 0.11 -0.53 10.12 2.56 -0.37 -4.94 118.70 121.89 2jsf s GLU 50 Ca 0.02 0.22 -0.09 0.00 0.00 0.00 0.00 54.97 55.13 2jsf s GLU 50 Cb 0.01 0.13 0.14 0.00 2.00 0.00 0.00 34.13 36.40 2jsf s GLU 50 CO -0.12 -0.08 0.40 0.42 -0.56 0.00 0.00 175.26 175.32 2jsf s ILE 51 N 2.62 4.29 0.06 -3.70 1.01 -1.26 -0.23 121.20 123.99 2jsf s ILE 51 Ca -0.03 -2.02 0.00 0.00 0.00 0.00 0.00 60.65 58.60 2jsf s ILE 51 Cb -0.06 -3.80 0.00 0.00 0.01 0.00 0.00 42.46 38.61 2jsf s ILE 51 CO -0.12 -0.82 0.00 0.80 0.00 0.00 0.00 174.94 174.80 2jsf n MET 52 N 4.62 0.00 0.00 2.79 1.56 -1.26 -3.58 117.12 121.24 2jsf n MET 52 Ca -0.04 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.39 2jsf n MET 52 Cb 0.41 -0.08 0.00 0.00 2.15 0.00 0.00 33.22 35.70 2jsf n MET 52 CO 0.00 0.00 0.00 -0.40 -0.73 0.00 0.00 175.97 174.84 2jsf n ASP 53 N -2.80 0.00 0.00 6.12 5.68 -1.26 -4.49 116.55 119.80 2jsf n ASP 53 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 2jsf n ASP 53 Cb 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 2jsf n ASP 53 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2jsf n LEU 54 N 0.00 0.00 -2.73 -2.12 4.77 -1.26 -4.47 117.00 111.19 2jsf n LEU 54 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 2jsf n LEU 54 Cb 0.00 0.00 0.08 0.00 -2.33 0.00 0.00 43.42 41.17 2jsf n LEU 54 CO 0.00 0.00 0.29 1.21 -1.33 0.00 0.00 177.39 177.56 2jsf n GLU 55 N -0.04 1.15 -5.28 3.23 2.13 -1.26 -4.94 120.64 115.62 2jsf n GLU 55 Ca 0.00 -2.28 -0.31 0.00 0.66 0.00 0.00 57.16 55.23 2jsf n GLU 55 Cb 0.00 -0.58 -0.16 0.00 0.27 0.00 0.00 31.44 30.98 2jsf n GLU 55 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2jsf s LYS 56 N -0.75 2.20 -0.23 5.31 -2.85 -1.26 -5.01 119.74 117.15 2jsf s LYS 56 Ca 0.24 -0.92 -0.13 0.00 -1.00 0.00 0.00 55.97 54.17 2jsf s LYS 56 Cb 0.40 -2.07 -0.05 0.00 -2.06 0.00 0.00 37.83 34.05 2jsf s LYS 56 CO -0.05 0.53 0.25 1.03 0.10 0.00 0.00 175.35 177.22 2jsf s ARG 57 N -0.54 4.11 0.00 1.78 0.52 -1.26 -4.76 118.95 118.80 2jsf s ARG 57 Ca 0.08 -0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.20 2jsf s ARG 57 Cb -0.11 -3.54 0.00 0.00 0.52 0.00 0.00 34.95 31.82 2jsf s ARG 57 CO -0.00 0.01 0.00 0.72 0.02 0.00 0.00 175.30 176.05 2jsf n HIS 58 N 4.39 0.00 0.00 -0.53 8.25 -1.26 -5.14 115.22 120.93 2jsf n HIS 58 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.34 2jsf n HIS 58 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 2jsf n HIS 58 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 2jsf n VAL 59 N 0.00 0.00 0.01 1.59 3.14 -1.26 -5.08 118.33 116.72 2jsf n VAL 59 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2jsf n VAL 59 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2jsf n VAL 59 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2jsf n LEU 60 N 0.00 0.04 0.00 6.55 7.99 -1.26 -5.10 117.00 125.22 2jsf n LEU 60 Ca 0.00 0.02 -0.11 0.00 -0.01 0.00 0.00 56.01 55.91 2jsf n LEU 60 Cb 0.00 -0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.32 2jsf n LEU 60 CO 0.00 -0.21 0.08 0.61 -1.51 0.00 0.00 177.39 176.36 2jsf n GLY 61 N 2.51 2.57 3.38 -0.72 0.00 -1.24 -4.52 105.19 107.17 2jsf n GLY 61 Ca 0.00 -2.21 -0.28 0.00 0.00 0.00 0.00 46.02 43.53 2jsf n GLY 61 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jsf s ARG 62 N -3.08 1.37 -0.25 1.61 3.00 -0.05 -4.91 118.95 116.64 2jsf s ARG 62 Ca 0.19 -1.33 -0.05 0.00 -1.00 0.00 0.00 55.73 53.54 2jsf s ARG 62 Cb -0.01 -1.84 -0.00 0.00 0.00 0.00 0.00 34.95 33.09 2jsf s ARG 62 CO 0.12 0.44 0.01 -0.51 0.00 0.00 0.00 175.30 175.36 2jsf s LEU 63 N -2.04 3.28 0.38 -0.88 1.43 -1.26 0.30 118.68 119.90 2jsf s LEU 63 Ca 0.13 -0.49 0.21 0.00 -1.03 0.00 0.00 54.13 52.95 2jsf s LEU 63 Cb -0.10 -1.81 0.42 0.00 0.03 0.00 0.00 46.19 44.73 2jsf s LEU 63 CO 0.06 -0.08 1.61 0.40 0.23 0.00 0.00 176.35 178.57 2jsf h ILE 64 N 5.76 0.48 -0.31 -0.59 5.03 0.15 -2.83 117.51 125.21 2jsf h ILE 64 Ca -0.37 -1.51 -0.16 0.00 -0.12 0.00 0.00 64.86 62.70 2jsf h ILE 64 Cb 1.15 2.10 -0.10 0.00 -3.03 0.00 0.00 36.82 36.94 2jsf h ILE 64 CO 0.60 0.25 -0.13 0.41 -0.68 0.00 0.00 178.15 178.60 2jsf n THR 65 N -3.22 2.52 0.00 -0.27 -1.04 -0.54 -4.93 114.28 106.79 2jsf n THR 65 Ca 0.02 -2.81 0.00 0.00 -2.04 0.00 0.00 64.05 59.22 2jsf n THR 65 Cb 0.58 -0.31 0.00 0.00 -1.82 0.00 0.00 70.33 68.78 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 -1.12 0.00 -3.76 12.58 0.31 -1.07 -0.60 118.33 124.67 2jsf n VAL 66 Ca 0.32 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.41 2jsf n VAL 66 Cb 1.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.93 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 -4.97 -3.26 4.52 2.85 -1.26 -4.88 115.26 108.26 2jsf n ASN 67 Ca 0.00 -0.93 -0.11 0.00 -0.11 0.00 0.00 54.58 53.43 2jsf n ASN 67 Cb 0.00 -1.82 0.11 0.00 1.24 0.00 0.00 39.78 39.31 2jsf n ASN 67 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2jsf n PRO 68 N -2.60 -1.44 -3.88 1.20 -0.04 0.23 -3.74 135.00 124.73 2jsf n PRO 68 Ca -0.31 -0.53 -0.11 0.00 -0.04 0.00 0.00 63.50 62.51 2jsf n PRO 68 Cb 0.69 -0.94 -0.13 0.00 -0.04 0.00 0.00 33.50 33.08 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 -1.48 0.02 0.54 0.52 -1.09 -1.26 0.20 121.20 118.65 2jsf s ILE 69 Ca 0.24 -0.18 0.01 0.00 -2.23 0.00 0.00 60.65 58.49 2jsf s ILE 69 Cb -0.04 -0.09 0.03 0.00 -1.58 0.00 0.00 42.46 40.77 2jsf s ILE 69 CO 0.20 -0.10 0.76 -0.69 -1.23 0.00 0.00 174.94 173.89 2jsf s VAL 70 N -0.29 2.79 0.00 2.92 1.01 0.24 -4.87 120.40 122.20 2jsf s VAL 70 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.29 2jsf s VAL 70 Cb -0.02 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.32 2jsf s VAL 70 CO -0.00 -0.03 0.00 0.41 0.00 0.00 0.00 175.10 175.48 2jsf n THR 71 N -2.31 0.00 -1.24 3.92 -1.04 -1.26 -2.35 114.28 109.99 2jsf n THR 71 Ca 0.07 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.09 2jsf n THR 71 Cb 0.59 0.31 0.01 0.00 -1.82 0.00 0.00 70.33 69.43 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 -1.22 0.46 -0.21 -2.82 1.02 -1.26 -3.45 120.64 113.16 2jsf n GLU 72 Ca 0.00 -0.98 0.00 0.00 -0.02 0.00 0.00 57.16 56.16 2jsf n GLU 72 Cb 0.03 -0.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 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 -0.19 0.00 0.00 3.49 4.81 -1.26 -4.57 118.16 120.44 2jsf n LYS 73 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 2jsf n LYS 73 Cb 0.55 -2.48 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 0.14 -4.61 3.14 -0.08 -1.26 -4.07 116.55 109.81 2jsf n ASP 74 Ca 0.00 -0.89 -0.43 0.00 -1.51 0.00 0.00 54.79 51.96 2jsf n ASP 74 Cb 0.00 0.02 -0.02 0.00 2.34 0.00 0.00 41.12 43.46 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 -0.02 6.38 -0.30 1.67 0.15 -1.26 -4.60 113.70 115.73 2jsf s SER 75 Ca 0.00 1.16 -0.36 0.00 0.70 0.00 0.00 55.95 57.45 2jsf s SER 75 Cb 0.00 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.65 2jsf s SER 75 CO 0.00 -1.33 2.05 -2.65 1.20 0.00 0.00 173.24 172.51 2jsf n PRO 76 N 7.82 1.25 -3.88 5.44 -0.02 -1.26 -4.35 135.00 140.00 2jsf n PRO 76 Ca 0.17 0.39 -0.26 0.00 -2.02 0.00 0.00 63.50 61.78 2jsf n PRO 76 Cb 0.47 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 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 6.08 5.29 -0.10 -1.45 1.01 0.45 -4.73 120.40 126.94 2jsf s VAL 77 Ca 1.05 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 62.41 2jsf s VAL 77 Cb -0.88 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 31.73 2jsf s VAL 77 CO 0.53 -0.13 -0.09 0.54 0.00 0.00 0.00 175.10 175.95 2jsf s ASN 78 N -3.27 4.40 -0.26 3.32 2.20 -1.24 -0.03 114.94 120.06 2jsf s ASN 78 Ca 0.36 -0.16 -0.01 0.00 -0.94 0.00 0.00 52.86 52.10 2jsf s ASN 78 Cb -0.11 -1.38 0.03 0.00 -2.00 0.00 0.00 41.25 37.79 2jsf s ASN 78 CO 0.29 0.26 -0.05 -0.63 -2.94 0.00 0.00 177.10 174.02 2jsf s ILE 79 N -0.20 2.86 -0.35 0.54 1.01 0.25 -4.77 121.20 120.54 2jsf s ILE 79 Ca 0.02 -1.10 -0.20 0.00 0.00 0.00 0.00 60.65 59.36 2jsf s ILE 79 Cb -0.13 -2.49 0.00 0.00 0.01 0.00 0.00 42.46 39.85 2jsf s ILE 79 CO 0.03 0.14 0.63 -0.70 0.00 0.00 0.00 174.94 175.05 2jsf s GLU 80 N 1.30 3.70 0.06 2.79 2.12 -1.24 -0.90 118.70 126.53 2jsf s GLU 80 Ca -0.01 0.08 0.05 0.00 0.36 0.00 0.00 54.97 55.45 2jsf s GLU 80 Cb -0.17 -3.80 -0.03 0.00 0.26 0.00 0.00 34.13 30.39 2jsf s GLU 80 CO -0.04 -0.72 -0.13 0.00 -0.54 0.00 0.00 175.26 173.84 2jsf s ALA 81 N 2.69 1.05 -0.48 6.30 0.00 0.23 0.18 121.76 131.73 2jsf s ALA 81 Ca 0.24 -0.92 -0.16 0.00 0.00 0.00 0.00 51.96 51.12 2jsf s ALA 81 Cb -0.15 -0.09 0.07 0.00 0.00 0.00 0.00 23.12 22.96 2jsf s ALA 81 CO 0.14 0.14 0.45 -2.00 0.00 0.00 0.00 175.76 174.49 2jsf s GLU 82 N -1.59 3.01 0.14 0.00 2.12 0.88 0.00 118.70 123.26 2jsf s GLU 82 Ca -0.03 -1.28 -0.31 0.00 0.36 0.00 0.00 54.97 53.72 2jsf s GLU 82 Cb -0.10 -4.13 -0.08 0.00 0.26 0.00 0.00 34.13 30.08 2jsf s GLU 82 CO 0.02 -1.08 1.32 -1.25 -0.54 0.00 0.00 175.26 173.72 2jsf s PRO 83 N 1.85 4.37 0.00 4.30 0.04 -1.26 -0.87 135.00 143.43 2jsf s PRO 83 Ca 0.06 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.11 2jsf s PRO 83 Cb -0.24 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.06 2jsf s PRO 83 CO 0.07 -0.32 0.62 -0.35 0.04 0.00 0.00 177.00 177.07 2jsf n PRO 84 N 3.36 0.00 -2.72 0.56 -0.04 -1.26 -4.85 135.00 130.05 2jsf n PRO 84 Ca 0.09 0.49 -0.07 0.00 -0.04 0.00 0.00 63.50 63.96 2jsf n PRO 84 Cb 0.43 -1.30 0.06 0.00 -0.04 0.00 0.00 33.50 32.65 2jsf n PRO 84 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jsf n PHE 85 N -1.96 -2.43 0.00 0.54 7.35 -1.26 -5.00 117.46 114.71 2jsf n PHE 85 Ca 0.00 -1.39 0.00 0.00 -0.76 0.00 0.00 57.45 55.30 2jsf n PHE 85 Cb 0.00 1.41 0.00 0.00 0.35 0.00 0.00 39.48 41.24 2jsf n PHE 85 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2jsf n GLY 86 N 1.66 0.89 5.01 7.13 0.00 0.69 -4.60 105.19 115.96 2jsf n GLY 86 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2jsf n GLY 86 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jsf n ASP 87 N 0.00 0.00 0.00 1.61 8.00 -1.26 -1.62 116.55 123.28 2jsf n ASP 87 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 2jsf n ASP 87 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 2jsf n ASP 87 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2jsf n SER 88 N 0.74 0.00 -4.36 -2.24 7.64 0.22 -4.33 113.62 111.29 2jsf n SER 88 Ca 0.00 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.42 2jsf n SER 88 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.00 3.55 0.79 1.43 2.02 -1.21 0.29 117.35 124.21 2jsf s TYR 89 Ca 0.00 -1.77 -0.11 0.00 -0.37 0.00 0.00 57.07 54.82 2jsf s TYR 89 Cb 0.00 -3.94 0.07 0.00 -0.40 0.00 0.00 41.96 37.68 2jsf s TYR 89 CO 0.00 -1.13 1.09 0.42 -1.57 0.00 0.00 175.55 174.36 2jsf s ILE 90 N 0.97 3.19 -0.02 2.71 1.01 0.71 -4.17 121.20 125.60 2jsf s ILE 90 Ca 0.21 0.39 0.05 0.00 0.00 0.00 0.00 60.65 61.30 2jsf s ILE 90 Cb -0.10 -3.07 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 2jsf s ILE 90 CO -0.08 -0.51 -0.18 -0.63 0.00 0.00 0.00 174.94 173.55 2jsf s ILE 91 N -3.08 1.41 -0.03 2.92 1.01 0.68 -1.52 121.20 122.59 2jsf s ILE 91 Ca 0.61 -0.76 0.04 0.00 0.00 0.00 0.00 60.65 60.54 2jsf s ILE 91 Cb -0.15 -1.18 -0.00 0.00 0.01 0.00 0.00 42.46 41.14 2jsf s ILE 91 CO 0.55 0.40 -0.14 -0.63 0.00 0.00 0.00 174.94 175.12 2jsf s ILE 92 N -0.37 1.18 0.00 2.92 1.01 -0.58 -1.23 121.20 124.12 2jsf s ILE 92 Ca 0.06 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.12 2jsf s ILE 92 Cb -0.07 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.38 2jsf s ILE 92 CO -0.00 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.89 2jsf n GLY 93 N 3.13 -1.69 3.34 6.18 0.00 -0.46 0.27 105.19 115.96 2jsf n GLY 93 Ca -0.18 -1.59 -0.28 0.00 0.00 0.00 0.00 46.02 43.97 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 2.07 0.00 1.61 -7.23 -1.26 -4.29 120.40 111.29 2jsf s VAL 94 Ca 0.00 -1.50 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 2jsf s VAL 94 Cb 0.00 -1.80 0.00 0.00 0.56 0.00 0.00 36.38 35.14 2jsf s VAL 94 CO 0.00 0.21 0.00 -0.62 -0.31 0.00 0.00 175.10 174.38 2jsf n GLU 95 N 1.43 0.00 -1.03 4.82 1.02 -1.26 -0.09 120.64 125.53 2jsf n GLU 95 Ca -0.18 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.80 2jsf n GLU 95 Cb 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.88 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 -3.41 0.03 -0.63 3.49 -0.04 -1.26 -1.81 135.00 131.36 2jsf n PRO 96 Ca 0.00 -0.76 0.00 0.00 -0.04 0.00 0.00 63.50 62.70 2jsf n PRO 96 Cb 0.00 -2.26 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 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 4.90 0.85 3.13 0.55 0.00 -1.20 -4.60 105.19 108.83 2jsf n GLY 97 Ca 0.25 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.91 2jsf n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jsf n GLN 98 N -2.00 -0.34 -3.20 1.61 10.64 0.88 -4.31 117.38 120.65 2jsf n GLN 98 Ca 0.00 -0.09 -0.19 0.00 -1.83 0.00 0.00 57.00 54.90 2jsf n GLN 98 Cb 0.00 -1.30 -0.00 0.00 -0.86 0.00 0.00 30.24 28.08 2jsf n GLN 98 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 2jsf s LEU 99 N 4.52 3.52 -0.10 2.61 1.43 0.75 -4.87 118.68 126.54 2jsf s LEU 99 Ca 0.45 -0.56 -0.06 0.00 -1.03 0.00 0.00 54.13 52.93 2jsf s LEU 99 Cb -0.10 -2.38 0.04 0.00 0.03 0.00 0.00 46.19 43.78 2jsf s LEU 99 CO 0.72 -0.77 0.24 -0.75 0.23 0.00 0.00 176.35 176.02 2jsf s LYS 100 N -4.30 0.22 -0.05 1.70 2.20 -1.26 -1.53 119.74 116.73 2jsf s LYS 100 Ca 0.53 0.47 0.05 0.00 -0.36 0.00 0.00 55.97 56.66 2jsf s LYS 100 Cb -0.07 -0.05 -0.01 0.00 -1.51 0.00 0.00 37.83 36.19 2jsf s LYS 100 CO 0.32 -0.13 -0.21 -0.51 -0.36 0.00 0.00 175.35 174.46 2jsf s LEU 101 N 0.94 1.99 -0.03 5.43 1.02 -0.57 -4.88 118.68 122.57 2jsf s LEU 101 Ca -0.07 -0.43 -0.25 0.00 0.02 0.00 0.00 54.13 53.40 2jsf s LEU 101 Cb -0.08 -1.17 -0.04 0.00 0.02 0.00 0.00 46.19 44.92 2jsf s LEU 101 CO -0.06 0.20 0.78 0.54 0.02 0.00 0.00 176.35 177.83 2jsf s ASN 102 N -0.07 7.11 -0.32 2.29 4.22 -1.18 -0.21 114.94 126.78 2jsf s ASN 102 Ca -0.03 1.34 0.05 0.00 -2.14 0.00 0.00 52.86 52.08 2jsf s ASN 102 Cb -0.13 -2.46 0.19 0.00 1.28 0.00 0.00 41.25 40.14 2jsf s ASN 102 CO 0.03 -0.13 0.63 0.86 -2.04 0.00 0.00 177.10 176.45 2jsf s TRP 103 N 0.73 -1.74 -0.50 1.54 -0.11 0.83 -4.89 118.94 114.80 2jsf s TRP 103 Ca 0.41 0.84 -0.28 0.00 1.22 0.00 0.00 56.10 58.29 2jsf s TRP 103 Cb -0.19 0.30 0.00 0.00 -1.50 0.00 0.00 33.47 32.08 2jsf s TRP 103 CO 0.21 -1.05 1.56 -0.06 -4.62 0.00 0.00 176.95 172.99 2jsf s PHE 104 N 2.60 2.10 -0.80 5.86 0.40 -1.26 -0.61 117.98 126.26 2jsf s PHE 104 Ca 0.12 0.59 0.02 0.00 -0.60 0.00 0.00 56.93 57.07 2jsf s PHE 104 Cb -0.08 -4.28 0.30 0.00 0.51 0.00 0.00 43.02 39.48 2jsf s PHE 104 CO -0.21 -2.22 1.20 1.17 0.70 0.00 0.00 175.22 175.85 2jsf n LYS 105 N 8.60 3.78 0.00 0.44 3.00 -0.64 -4.63 118.16 128.71 2jsf n LYS 105 Ca 0.17 -4.70 0.00 0.00 -0.00 0.00 0.00 58.31 53.77 2jsf n LYS 105 Cb 0.49 -2.35 0.00 0.00 0.00 0.00 0.00 35.03 33.17 2jsf n LYS 105 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2jsf n LYS 106 N 0.46 0.00 0.00 1.64 0.00 -1.26 0.25 118.16 119.24 2jsf n LYS 106 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.64 2jsf n LYS 106 Cb 0.36 -0.40 0.00 0.00 0.00 0.00 0.00 35.03 34.98 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 1.55 0.27 3.38 3.14 0.00 -1.26 -4.97 105.19 107.30 2jsf n GLY 107 Ca 0.00 -1.73 -0.22 0.00 0.00 0.00 0.00 46.02 44.07 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 0.10 -6.20 -3.88 1.61 7.64 -1.26 -4.95 113.62 106.68 2jsf n SER 108 Ca 0.00 -0.24 -0.30 0.00 1.01 0.00 0.00 58.87 59.34 2jsf n SER 108 Cb 0.00 -3.04 -0.14 0.00 -1.01 0.00 0.00 64.21 60.02 2jsf n SER 108 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2jsf s SER 109 N -2.40 4.25 -0.34 6.43 0.01 -1.26 -4.94 113.70 115.45 2jsf s SER 109 Ca 0.18 -2.42 0.16 0.00 1.31 0.00 0.00 55.95 55.18 2jsf s SER 109 Cb -0.03 -1.36 0.44 0.00 0.21 0.00 0.00 66.02 65.28 2jsf s SER 109 CO 0.84 -0.32 1.05 0.18 0.41 0.00 0.00 173.24 175.40 2jsf n LEU 110 N 3.86 0.61 0.00 2.44 4.77 -1.26 -4.91 117.00 122.51 2jsf n LEU 110 Ca 0.04 -3.66 0.00 0.00 -0.03 0.00 0.00 56.01 52.36 2jsf n LEU 110 Cb 0.37 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.80 2jsf n LEU 110 CO 0.24 1.65 -0.28 -0.62 -1.33 0.00 0.00 177.39 177.05 2jsf n GLU 111 N -0.19 0.00 -2.13 3.23 -0.58 -1.26 -5.13 120.64 114.58 2jsf n GLU 111 Ca 0.06 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.78 2jsf n GLU 111 Cb 0.83 -0.61 -0.01 0.00 -0.57 0.00 0.00 31.44 31.08 2jsf n GLU 111 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2jsf n HIS 112 N -2.30 -0.37 -3.39 -0.32 8.25 -1.26 -5.13 115.22 110.70 2jsf n HIS 112 Ca 0.00 -0.39 -0.39 0.00 -0.26 0.00 0.00 57.72 56.68 2jsf n HIS 112 Cb 0.28 0.07 -0.09 0.00 1.12 0.00 0.00 29.99 31.37 2jsf n HIS 112 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jsf s HIS 113 N -3.51 3.27 -1.00 4.41 3.76 -1.26 -5.01 115.29 115.95 2jsf s HIS 113 Ca 0.05 0.46 -0.12 0.00 -0.15 0.00 0.00 55.06 55.30 2jsf s HIS 113 Cb 0.00 -2.56 0.25 0.00 1.11 0.00 0.00 32.58 31.38 2jsf s HIS 113 CO 0.04 -0.18 0.99 -1.01 -0.85 0.00 0.00 174.74 173.73 2jsf s HIS 114 N 1.89 4.01 0.24 1.40 3.76 -1.26 -4.56 115.29 120.78 2jsf s HIS 114 Ca 0.16 -2.36 0.00 0.00 -0.15 0.00 0.00 55.06 52.71 2jsf s HIS 114 Cb -0.15 -3.87 0.00 0.00 1.11 0.00 0.00 32.58 29.67 2jsf s HIS 114 CO 0.09 -1.00 0.00 1.58 -0.85 0.00 0.00 174.74 174.56 2jsf n HIS 115 N 3.44 -3.43 -2.57 1.40 -0.00 -1.26 -5.13 115.22 107.66 2jsf n HIS 115 Ca 0.20 0.83 -0.04 0.00 0.46 0.00 0.00 57.72 59.17 2jsf n HIS 115 Cb 0.43 2.26 -0.03 0.00 -0.12 0.00 0.00 29.99 32.52 2jsf n HIS 115 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jsf n HIS 116 N -3.05 -4.03 0.09 1.57 -0.00 -1.26 -5.36 115.22 103.18 2jsf n HIS 116 Ca 0.00 2.36 0.01 0.00 0.46 0.00 0.00 57.72 60.56 2jsf n HIS 116 Cb 0.00 -3.55 0.01 0.00 -0.12 0.00 0.00 29.99 26.33 2jsf n HIS 116 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38