#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 2.72 -4.48 7.83 9.92 -1.26 -5.01 116.55 126.27 2jsf n ASP 2 Ca 0.00 -3.42 -0.28 0.00 -0.53 0.00 0.00 54.79 50.55 2jsf n ASP 2 Cb 0.00 -0.55 -0.11 0.00 -0.64 0.00 0.00 41.12 39.82 2jsf n ASP 2 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 2jsf s LYS 3 N -3.04 1.74 -0.41 -1.24 -0.14 -1.26 -5.06 119.74 110.33 2jsf s LYS 3 Ca 0.40 -1.28 0.05 0.00 -1.36 0.00 0.00 55.97 53.78 2jsf s LYS 3 Cb 0.35 -2.05 0.31 0.00 -1.68 0.00 0.00 37.83 34.76 2jsf s LYS 3 CO 0.02 0.45 1.19 1.47 -0.76 0.00 0.00 175.35 177.72 2jsf n LEU 4 N 0.56 -1.97 0.00 3.17 -0.00 -1.26 -5.00 117.00 112.49 2jsf n LEU 4 Ca -0.14 -2.91 0.00 0.00 -0.00 0.00 0.00 56.01 52.96 2jsf n LEU 4 Cb 0.54 0.91 0.00 0.00 -0.00 0.00 0.00 43.42 44.87 2jsf n LEU 4 CO 0.29 1.87 0.00 0.00 -0.00 0.00 0.00 177.39 179.56 2jsf n GLN 5 N 0.66 0.00 -3.11 1.47 6.02 -1.26 -5.00 117.38 116.16 2jsf n GLN 5 Ca 0.02 0.00 -0.44 0.00 -0.01 0.00 0.00 57.00 56.57 2jsf n GLN 5 Cb 0.71 -0.06 0.00 0.00 1.02 0.00 0.00 30.24 31.91 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 -2.13 5.55 -4.49 1.08 4.77 -1.26 -4.98 117.00 115.55 2jsf n LEU 6 Ca 0.00 -4.82 -0.43 0.00 -0.03 0.00 0.00 56.01 50.74 2jsf n LEU 6 Cb 0.00 -1.52 -0.04 0.00 -2.33 0.00 0.00 43.42 39.54 2jsf n LEU 6 CO 0.00 1.15 0.82 -0.54 -1.33 0.00 0.00 177.39 177.48 2jsf s LYS 7 N -0.25 3.19 0.00 3.23 -0.14 -1.26 -4.66 119.74 119.85 2jsf s LYS 7 Ca 0.36 -0.57 0.00 0.00 -1.36 0.00 0.00 55.97 54.40 2jsf s LYS 7 Cb -0.05 -4.17 0.00 0.00 -1.68 0.00 0.00 37.83 31.93 2jsf s LYS 7 CO -0.03 -1.77 0.00 0.41 -0.76 0.00 0.00 175.35 173.20 2jsf n GLY 8 N 5.27 4.20 3.92 -3.33 0.00 -1.26 -4.99 105.19 108.99 2jsf n GLY 8 Ca -0.01 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.22 -2.36 -4.29 1.61 1.56 -1.26 -4.96 117.12 107.20 2jsf n MET 9 Ca 0.00 0.37 -0.16 0.00 -0.27 0.00 0.00 57.70 57.64 2jsf n MET 9 Cb 0.00 -4.19 -0.10 0.00 2.15 0.00 0.00 33.22 31.08 2jsf n MET 9 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 2jsf s SER 10 N -4.07 2.04 0.00 6.12 1.04 -1.26 -5.07 113.70 112.49 2jsf s SER 10 Ca 0.16 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.56 2jsf s SER 10 Cb -0.07 -0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.01 2jsf s SER 10 CO 0.90 -0.30 0.00 0.00 0.98 0.00 0.00 173.24 174.82 2jsf n TYR 11 N -0.27 -0.63 0.00 5.02 4.19 -1.26 -5.11 117.16 119.10 2jsf n TYR 11 Ca -0.09 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.12 2jsf n TYR 11 Cb 0.61 0.28 0.00 0.00 0.49 0.00 0.00 39.34 40.71 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 -1.83 0.00 -3.08 2.98 2.88 -1.26 -4.94 113.62 108.37 2jsf n SER 12 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 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 0.00 -1.23 0.00 0.00 175.04 173.81 2jsf s MET 13 N 3.23 0.09 -0.71 -1.46 0.23 -1.26 -3.72 119.30 115.71 2jsf s MET 13 Ca 0.00 0.06 -0.26 0.00 -1.03 0.00 0.00 55.69 54.47 2jsf s MET 13 Cb 0.00 0.03 -0.09 0.00 -1.53 0.00 0.00 34.83 33.24 2jsf s MET 13 CO 0.00 -0.17 2.27 0.00 -2.03 0.00 0.00 175.02 175.10 2jsf n THR 15 N 8.24 0.00 0.00 0.00 5.66 -1.26 -4.24 114.28 122.68 2jsf n THR 15 Ca 0.40 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 61.33 2jsf n THR 15 Cb 0.48 0.23 0.00 0.00 -1.55 0.00 0.00 70.33 69.49 2jsf n THR 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jsf n GLY 16 N 1.39 -2.80 3.63 1.09 0.00 -1.26 -4.52 105.19 102.72 2jsf n GLY 16 Ca 0.10 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 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 2.06 0.01 1.61 2.20 0.70 -4.21 119.74 122.10 2jsf s LYS 17 Ca 0.00 -2.28 0.02 0.00 -0.36 0.00 0.00 55.97 53.35 2jsf s LYS 17 Cb 0.00 -1.06 -0.01 0.00 -1.51 0.00 0.00 37.83 35.25 2jsf s LYS 17 CO 0.00 -0.41 -0.07 -0.06 -0.36 0.00 0.00 175.35 174.45 2jsf s PHE 18 N -3.04 0.60 -0.24 4.03 0.40 -1.26 0.28 117.98 118.75 2jsf s PHE 18 Ca 0.16 -0.21 -0.03 0.00 -0.60 0.00 0.00 56.93 56.24 2jsf s PHE 18 Cb 0.02 -0.37 0.01 0.00 0.51 0.00 0.00 43.02 43.19 2jsf s PHE 18 CO 0.09 -0.03 -0.05 0.21 0.70 0.00 0.00 175.22 176.15 2jsf s LYS 19 N -0.56 3.11 0.10 0.44 2.20 -0.18 -4.63 119.74 120.23 2jsf s LYS 19 Ca -0.01 -0.80 -0.31 0.00 -0.36 0.00 0.00 55.97 54.49 2jsf s LYS 19 Cb -0.05 -3.00 -0.11 0.00 -1.51 0.00 0.00 37.83 33.17 2jsf s LYS 19 CO 0.00 -0.30 1.85 0.28 -0.36 0.00 0.00 175.35 176.82 2jsf n VAL 20 N 4.74 0.41 -0.08 4.02 0.31 -1.26 0.55 118.33 127.02 2jsf n VAL 20 Ca -0.17 -0.07 -0.09 0.00 -0.01 0.00 0.00 64.34 63.99 2jsf n VAL 20 Cb 0.49 -2.11 -0.16 0.00 -0.91 0.00 0.00 33.84 31.15 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 4.78 1.38 -3.74 2.52 0.31 0.55 -4.80 118.33 119.33 2jsf n VAL 21 Ca 0.18 -0.83 -0.13 0.00 -0.01 0.00 0.00 64.34 63.55 2jsf n VAL 21 Cb 0.37 -0.56 -0.11 0.00 -0.91 0.00 0.00 33.84 32.64 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 0.42 0.73 5.55 2.47 0.10 -4.93 119.74 121.53 2jsf s LYS 22 Ca -0.09 0.56 -0.16 0.00 -1.56 0.00 0.00 55.97 54.73 2jsf s LYS 22 Cb 0.07 0.16 0.01 0.00 -1.46 0.00 0.00 37.83 36.61 2jsf s LYS 22 CO 0.83 -0.07 0.94 -1.91 0.16 0.00 0.00 175.35 175.30 2jsf n GLU 23 N 3.14 0.46 -1.60 4.03 2.13 -1.26 -2.71 120.64 124.84 2jsf n GLU 23 Ca -0.15 0.21 -0.50 0.00 0.66 0.00 0.00 57.16 57.38 2jsf n GLU 23 Cb 0.57 -2.20 -0.05 0.00 0.27 0.00 0.00 31.44 30.03 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 -2.56 0.26 -3.71 6.31 2.08 -1.25 -4.58 119.36 115.91 2jsf n ILE 24 Ca 0.13 -0.06 -0.23 0.00 0.56 0.00 0.00 62.75 63.15 2jsf n ILE 24 Cb 0.50 -0.93 -0.03 0.00 -0.75 0.00 0.00 39.64 38.42 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 0.34 4.08 -0.13 -1.39 0.00 0.75 -4.76 121.76 120.65 2jsf s ALA 25 Ca 0.80 -1.80 -0.01 0.00 0.00 0.00 0.00 51.96 50.95 2jsf s ALA 25 Cb -0.88 -0.86 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 2jsf s ALA 25 CO 0.47 -0.28 -0.11 -1.83 0.00 0.00 0.00 175.76 174.01 2jsf s GLU 26 N -4.14 3.39 0.00 0.00 -1.05 -1.26 0.26 118.70 115.89 2jsf s GLU 26 Ca 0.44 -0.65 0.23 0.00 -0.15 0.00 0.00 54.97 54.84 2jsf s GLU 26 Cb -0.02 -2.68 1.37 0.00 -0.44 0.00 0.00 34.13 32.37 2jsf s GLU 26 CO 0.26 0.25 1.75 0.25 0.95 0.00 0.00 175.26 178.72 2jsf n THR 27 N 3.44 0.00 -1.02 1.83 -2.24 -0.96 -4.82 114.28 110.50 2jsf n THR 27 Ca -0.18 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.59 2jsf n THR 27 Cb 0.53 -0.60 -0.00 0.00 -2.10 0.00 0.00 70.33 68.15 2jsf n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jsf n GLN 28 N -0.98 -0.98 -0.04 -0.78 6.02 -1.26 -4.78 117.38 114.58 2jsf n GLN 28 Ca 0.17 0.29 0.01 0.00 -0.01 0.00 0.00 57.00 57.46 2jsf n GLN 28 Cb 0.08 -4.05 0.01 0.00 1.02 0.00 0.00 30.24 27.30 2jsf n GLN 28 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 2jsf n HIS 29 N -2.51 0.00 0.00 1.08 8.25 -1.26 -4.96 115.22 115.81 2jsf n HIS 29 Ca -0.01 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.12 2jsf n HIS 29 Cb 0.26 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.32 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 -0.37 2.83 1.71 -1.41 0.00 -1.26 -5.08 105.19 101.61 2jsf n GLY 30 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.96 0.00 -3.82 2.61 -2.24 -1.26 -4.01 114.28 104.60 2jsf n THR 31 Ca 0.00 -0.69 -0.09 0.00 -2.27 0.00 0.00 64.05 61.00 2jsf n THR 31 Cb 0.00 -1.18 -0.07 0.00 -2.10 0.00 0.00 70.33 66.98 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 -1.25 0.12 -0.07 2.28 -4.36 0.28 -2.27 121.20 115.93 2jsf s ILE 32 Ca 0.29 -1.06 0.04 0.00 -0.26 0.00 0.00 60.65 59.66 2jsf s ILE 32 Cb -0.02 -1.33 0.00 0.00 1.25 0.00 0.00 42.46 42.37 2jsf s ILE 32 CO 0.19 -0.57 -0.20 -0.69 0.24 0.00 0.00 174.94 173.92 2jsf s VAL 33 N -3.85 1.68 -0.26 8.37 1.01 0.72 -1.32 120.40 126.75 2jsf s VAL 33 Ca 0.05 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 2jsf s VAL 33 Cb 0.04 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.99 2jsf s VAL 33 CO -0.11 0.48 -0.05 -0.51 0.00 0.00 0.00 175.10 174.91 2jsf s ILE 34 N 0.32 2.93 -0.20 2.22 -1.16 -0.57 0.27 121.20 125.00 2jsf s ILE 34 Ca -0.13 -1.08 -0.15 0.00 -0.51 0.00 0.00 60.65 58.78 2jsf s ILE 34 Cb -0.16 -2.52 -0.04 0.00 0.61 0.00 0.00 42.46 40.35 2jsf s ILE 34 CO 0.06 0.14 0.36 -0.60 -2.81 0.00 0.00 174.94 172.08 2jsf s ARG 35 N 1.32 4.17 0.09 3.50 3.52 -1.10 0.51 118.95 130.96 2jsf s ARG 35 Ca -0.01 0.13 -0.12 0.00 -0.13 0.00 0.00 55.73 55.60 2jsf s ARG 35 Cb -0.17 -3.52 0.02 0.00 -1.56 0.00 0.00 34.95 29.71 2jsf s ARG 35 CO -0.04 0.01 0.29 0.14 -0.81 0.00 0.00 175.30 174.89 2jsf s VAL 36 N 1.18 0.10 -0.22 7.11 -7.23 -0.32 0.20 120.40 121.22 2jsf s VAL 36 Ca 0.17 -0.85 -0.08 0.00 -1.81 0.00 0.00 61.98 59.41 2jsf s VAL 36 Cb -0.14 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.56 2jsf s VAL 36 CO 0.07 -0.47 0.09 -1.58 -0.31 0.00 0.00 175.10 172.90 2jsf s GLN 37 N -3.61 3.86 0.07 4.82 0.74 0.19 0.15 119.66 125.89 2jsf s GLN 37 Ca 0.02 -0.38 -0.30 0.00 0.05 0.00 0.00 55.36 54.74 2jsf s GLN 37 Cb 0.03 -3.33 -0.09 0.00 1.10 0.00 0.00 33.01 30.71 2jsf s GLN 37 CO -0.10 0.03 1.89 -0.47 -0.55 0.00 0.00 175.29 176.09 2jsf s TYR 38 N 1.05 1.71 0.12 1.67 5.04 -1.26 -1.01 117.35 124.67 2jsf s TYR 38 Ca 0.05 -0.23 0.05 0.00 -2.44 0.00 0.00 57.07 54.50 2jsf s TYR 38 Cb -0.14 -4.20 -0.04 0.00 0.35 0.00 0.00 41.96 37.93 2jsf s TYR 38 CO 0.03 -5.16 0.07 -1.21 -1.34 0.00 0.00 175.55 167.95 2jsf s GLU 39 N 3.67 2.76 0.00 4.97 0.41 0.80 -4.11 118.70 127.19 2jsf s GLU 39 Ca 0.84 -0.83 0.00 0.00 -0.41 0.00 0.00 54.97 54.58 2jsf s GLU 39 Cb -0.44 -2.62 0.00 0.00 -1.78 0.00 0.00 34.13 29.30 2jsf s GLU 39 CO 0.39 0.52 0.00 0.41 -0.49 0.00 0.00 175.26 176.09 2jsf n GLY 40 N 0.16 0.38 2.97 -1.39 0.00 -1.26 0.25 105.19 106.30 2jsf n GLY 40 Ca -0.09 -1.81 -0.24 0.00 0.00 0.00 0.00 46.02 43.89 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 -4.00 1.64 0.00 1.61 2.15 -1.26 -4.93 116.67 111.88 2jsf s ASP 41 Ca 0.00 -0.25 0.00 0.00 0.43 0.00 0.00 52.55 52.73 2jsf s ASP 41 Cb 0.00 -0.73 0.00 0.00 -0.30 0.00 0.00 42.92 41.89 2jsf s ASP 41 CO 0.00 -0.02 0.00 0.61 -0.17 0.00 0.00 175.17 175.59 2jsf n GLY 42 N 4.09 0.00 7.00 2.66 0.00 -1.26 -4.30 105.19 113.38 2jsf n GLY 42 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.21 -1.00 -4.52 1.61 2.88 -1.26 -3.94 113.62 107.17 2jsf n SER 43 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 2jsf n SER 43 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 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 0.32 -4.20 -1.46 -0.02 -1.24 -4.33 135.00 124.08 2jsf n PRO 44 Ca 0.00 -0.56 -0.15 0.00 -2.02 0.00 0.00 63.50 60.77 2jsf n PRO 44 Cb 0.00 -2.67 -0.08 0.00 -0.02 0.00 0.00 33.50 30.73 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 -3.73 3.23 -0.22 0.00 1.02 -1.24 -0.71 119.74 118.08 2jsf s LYS 46 Ca 0.37 0.02 -0.07 0.00 0.02 0.00 0.00 55.97 56.31 2jsf s LYS 46 Cb 0.04 -2.36 -0.03 0.00 -0.52 0.00 0.00 37.83 34.95 2jsf s LYS 46 CO 0.19 -0.41 0.06 0.42 -0.92 0.00 0.00 175.35 174.69 2jsf s ILE 47 N -2.81 4.46 0.50 2.17 -1.09 0.54 0.28 121.20 125.23 2jsf s ILE 47 Ca 0.50 -0.13 -0.23 0.00 -2.23 0.00 0.00 60.65 58.55 2jsf s ILE 47 Cb -0.10 -3.05 -0.06 0.00 -1.58 0.00 0.00 42.46 37.67 2jsf s ILE 47 CO 0.44 0.39 1.35 -2.84 -1.23 0.00 0.00 174.94 173.05 2jsf s PRO 48 N 1.09 3.43 0.04 2.79 0.02 -1.26 -3.76 135.00 137.34 2jsf s PRO 48 Ca 0.04 2.22 -0.19 0.00 0.02 0.00 0.00 61.00 63.09 2jsf s PRO 48 Cb -0.14 -2.42 0.04 0.00 0.02 0.00 0.00 34.50 31.99 2jsf s PRO 48 CO 0.03 -0.96 0.44 0.12 -0.33 0.00 0.00 177.00 176.30 2jsf s PHE 49 N -1.30 -0.30 -0.28 6.54 2.19 -1.26 -1.35 117.98 122.22 2jsf s PHE 49 Ca 0.67 0.31 -0.06 0.00 0.33 0.00 0.00 56.93 58.18 2jsf s PHE 49 Cb -0.40 0.24 0.14 0.00 -1.31 0.00 0.00 43.02 41.70 2jsf s PHE 49 CO 0.49 -0.57 0.56 -2.00 1.83 0.00 0.00 175.22 175.52 2jsf s GLU 50 N -2.35 0.50 -0.49 10.12 2.12 -0.07 -4.95 118.70 123.58 2jsf s GLU 50 Ca -0.06 1.12 0.06 0.00 0.36 0.00 0.00 54.97 56.45 2jsf s GLU 50 Cb -0.01 0.50 0.24 0.00 0.26 0.00 0.00 34.13 35.12 2jsf s GLU 50 CO -0.01 -0.40 0.87 0.44 -0.54 0.00 0.00 175.26 175.61 2jsf n ILE 51 N 5.42 -0.01 0.02 -3.70 -5.35 -1.26 -1.91 119.36 112.56 2jsf n ILE 51 Ca -0.07 -1.50 0.00 0.00 -0.27 0.00 0.00 62.75 60.92 2jsf n ILE 51 Cb 0.50 1.39 0.00 0.00 -1.74 0.00 0.00 39.64 39.79 2jsf n ILE 51 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 2jsf n MET 52 N 1.77 0.00 -3.37 6.28 2.81 -1.26 -0.32 117.12 123.03 2jsf n MET 52 Ca 0.10 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 2jsf n MET 52 Cb 0.62 -0.06 0.00 0.00 -0.71 0.00 0.00 33.22 33.07 2jsf n MET 52 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 2jsf n ASP 53 N -2.73 0.00 0.00 7.83 5.75 -1.26 0.13 116.55 126.27 2jsf n ASP 53 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2jsf n ASP 53 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 2jsf n ASP 53 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2jsf n LEU 54 N 0.00 0.00 -1.01 -2.12 7.94 -1.26 -0.64 117.00 119.90 2jsf n LEU 54 Ca 0.00 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.93 2jsf n LEU 54 Cb 0.00 0.00 0.16 0.00 0.53 0.00 0.00 43.42 44.11 2jsf n LEU 54 CO 0.00 0.00 0.52 -0.62 -1.11 0.00 0.00 177.39 176.18 2jsf n GLU 55 N 0.00 2.50 0.00 1.96 1.02 -1.26 -3.65 120.64 121.21 2jsf n GLU 55 Ca 0.00 -1.27 0.10 0.00 -0.02 0.00 0.00 57.16 55.97 2jsf n GLU 55 Cb 0.00 -1.75 -0.08 0.00 -0.02 0.00 0.00 31.44 29.59 2jsf n GLU 55 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2jsf n LYS 56 N 0.27 0.02 -1.35 3.49 4.01 0.18 -4.95 118.16 119.84 2jsf n LYS 56 Ca 0.11 -0.01 -0.12 0.00 -0.51 0.00 0.00 58.31 57.79 2jsf n LYS 56 Cb 0.60 -1.50 -0.05 0.00 -0.51 0.00 0.00 35.03 33.56 2jsf n LYS 56 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 2jsf n ARG 57 N -1.53 -1.07 0.00 1.97 3.00 -1.24 -4.84 116.66 112.95 2jsf n ARG 57 Ca 0.04 0.90 0.00 0.00 -0.00 0.00 0.00 57.85 58.79 2jsf n ARG 57 Cb 0.34 -5.00 0.00 0.00 0.00 0.00 0.00 32.46 27.80 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 -2.53 0.00 0.00 -0.14 -0.00 -1.26 -4.81 115.22 106.47 2jsf n HIS 58 Ca -0.12 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.06 2jsf n HIS 58 Cb 0.45 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.32 2jsf n HIS 58 CO 0.00 0.00 0.00 1.33 0.46 0.00 0.00 176.34 178.13 2jsf n VAL 59 N 0.00 0.00 0.00 3.57 0.24 -1.07 -4.66 118.33 116.41 2jsf n VAL 59 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2jsf n VAL 59 Cb 0.00 -0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.23 2jsf n VAL 59 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 2jsf n LEU 60 N -1.80 0.00 -4.99 1.34 -0.00 0.35 -4.37 117.00 107.53 2jsf n LEU 60 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.82 2jsf n LEU 60 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.44 2jsf n LEU 60 CO 0.00 0.00 0.22 -0.83 -0.00 0.00 0.00 177.39 176.78 2jsf s GLY 61 N 0.00 1.84 0.25 -3.96 0.00 0.56 -3.98 107.32 102.03 2jsf s GLY 61 Ca 0.00 -1.49 0.03 0.00 0.00 0.00 0.00 44.72 43.26 2jsf s GLY 61 CO 0.00 -1.29 0.02 -1.60 0.00 0.00 0.00 173.10 170.23 2jsf s ARG 62 N -4.47 1.38 -0.16 2.90 3.00 0.31 -4.50 118.95 117.41 2jsf s ARG 62 Ca 0.54 -1.72 0.01 0.00 -1.00 0.00 0.00 55.73 53.56 2jsf s ARG 62 Cb -0.10 -0.57 0.02 0.00 0.00 0.00 0.00 34.95 34.30 2jsf s ARG 62 CO 0.35 -0.15 -0.18 -1.17 0.00 0.00 0.00 175.30 174.15 2jsf s LEU 63 N -3.32 1.95 0.10 -0.88 1.98 -1.26 0.21 118.68 117.45 2jsf s LEU 63 Ca 0.31 -0.57 0.13 0.00 -2.89 0.00 0.00 54.13 51.11 2jsf s LEU 63 Cb 0.06 -1.35 -0.13 0.00 0.66 0.00 0.00 46.19 45.44 2jsf s LEU 63 CO 0.10 -0.01 1.01 0.40 -1.89 0.00 0.00 176.35 175.96 2jsf h ILE 64 N 5.96 0.89 -1.11 6.68 5.03 0.17 -3.26 117.51 131.88 2jsf h ILE 64 Ca -0.41 -2.49 -0.63 0.00 -0.12 0.00 0.00 64.86 61.22 2jsf h ILE 64 Cb 1.15 2.36 -0.36 0.00 -3.03 0.00 0.00 36.82 36.94 2jsf h ILE 64 CO 0.58 0.51 0.00 0.41 -0.68 0.00 0.00 178.15 178.98 2jsf n THR 65 N -3.09 3.01 -0.80 -0.27 -1.04 0.73 -4.94 114.28 107.89 2jsf n THR 65 Ca -0.07 -3.91 -0.30 0.00 -2.04 0.00 0.00 64.05 57.73 2jsf n THR 65 Cb 0.89 -1.18 -0.04 0.00 -1.82 0.00 0.00 70.33 68.18 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 -0.72 0.33 -2.48 12.58 0.31 -1.23 -2.01 118.33 125.11 2jsf n VAL 66 Ca 0.51 -0.08 -0.12 0.00 -0.01 0.00 0.00 64.34 64.63 2jsf n VAL 66 Cb 0.72 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.66 2jsf n VAL 66 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 2jsf n ASN 67 N 0.90 -1.92 -3.00 4.52 0.23 -1.26 -4.87 115.26 109.85 2jsf n ASN 67 Ca 0.11 -0.22 -0.05 0.00 -0.53 0.00 0.00 54.58 53.89 2jsf n ASN 67 Cb 0.07 -0.60 0.04 0.00 -2.08 0.00 0.00 39.78 37.22 2jsf n ASN 67 CO 0.00 0.00 0.00 -0.81 -0.93 0.00 0.00 177.26 175.52 2jsf n PRO 68 N -0.70 -2.36 -3.87 -0.53 -0.04 -0.85 -4.04 135.00 122.61 2jsf n PRO 68 Ca -0.08 -0.23 -0.11 0.00 -0.04 0.00 0.00 63.50 63.04 2jsf n PRO 68 Cb 0.26 -0.29 -0.12 0.00 -0.04 0.00 0.00 33.50 33.32 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 -1.18 0.04 0.18 0.52 1.01 -1.26 0.20 121.20 120.72 2jsf s ILE 69 Ca 0.10 -0.35 0.04 0.00 0.00 0.00 0.00 60.65 60.44 2jsf s ILE 69 Cb -0.02 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 42.17 2jsf s ILE 69 CO 0.09 -0.19 0.29 -0.69 0.00 0.00 0.00 174.94 174.44 2jsf s VAL 70 N -0.61 5.21 -0.02 2.92 1.01 0.11 -4.92 120.40 124.10 2jsf s VAL 70 Ca -0.07 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.16 2jsf s VAL 70 Cb -0.04 -3.73 -0.15 0.00 0.00 0.00 0.00 36.38 32.46 2jsf s VAL 70 CO 0.00 -0.18 0.20 0.41 0.00 0.00 0.00 175.10 175.53 2jsf n THR 71 N -0.83 0.05 -1.22 3.92 -1.04 -1.26 -2.31 114.28 111.58 2jsf n THR 71 Ca -0.08 -0.23 0.02 0.00 -2.04 0.00 0.00 64.05 61.72 2jsf n THR 71 Cb 0.55 0.20 0.03 0.00 -1.82 0.00 0.00 70.33 69.29 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 -1.87 0.77 -0.46 -2.82 1.02 -1.26 -3.61 120.64 112.40 2jsf n GLU 72 Ca -0.03 -1.32 0.00 0.00 -0.02 0.00 0.00 57.16 55.80 2jsf n GLU 72 Cb 0.29 -0.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.90 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 -0.41 0.00 0.00 3.49 4.81 -1.26 -4.58 118.16 120.21 2jsf n LYS 73 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2jsf n LYS 73 Cb 0.56 -3.01 0.00 0.00 0.02 0.00 0.00 35.03 32.61 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 -4.61 3.14 -0.08 -1.26 -4.11 116.55 109.76 2jsf n ASP 74 Ca 0.00 -1.00 -0.43 0.00 -1.51 0.00 0.00 54.79 51.85 2jsf n ASP 74 Cb 0.00 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.44 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 -0.00 6.36 -0.30 1.67 0.15 -1.26 -4.64 113.70 115.68 2jsf s SER 75 Ca 0.00 1.15 -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 61.66 2jsf s SER 75 CO 0.00 -1.35 2.08 -2.65 1.20 0.00 0.00 173.24 172.52 2jsf n PRO 76 N 7.86 1.27 -3.90 5.44 -0.02 -1.26 -4.32 135.00 140.07 2jsf n PRO 76 Ca 0.17 0.39 -0.35 0.00 -2.02 0.00 0.00 63.50 61.69 2jsf n PRO 76 Cb 0.47 -2.46 -0.09 0.00 -0.02 0.00 0.00 33.50 31.40 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 6.35 5.07 -0.06 -1.45 1.01 0.40 -4.73 120.40 126.98 2jsf s VAL 77 Ca 1.05 0.06 -0.16 0.00 0.00 0.00 0.00 61.98 62.94 2jsf s VAL 77 Cb -0.85 -3.29 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 2jsf s VAL 77 CO 0.51 0.46 0.42 0.20 0.00 0.00 0.00 175.10 176.70 2jsf s ASN 78 N 0.26 6.72 -0.23 3.32 0.01 -1.24 -1.18 114.94 122.60 2jsf s ASN 78 Ca 0.06 0.86 -0.02 0.00 -0.71 0.00 0.00 52.86 53.04 2jsf s ASN 78 Cb -0.12 -2.26 0.01 0.00 0.41 0.00 0.00 41.25 39.30 2jsf s ASN 78 CO -0.01 0.18 -0.07 -0.63 -1.51 0.00 0.00 177.10 175.07 2jsf s ILE 79 N -0.29 2.97 -0.37 0.60 1.01 0.18 -4.74 121.20 120.56 2jsf s ILE 79 Ca 0.24 -0.84 -0.24 0.00 0.00 0.00 0.00 60.65 59.81 2jsf s ILE 79 Cb -0.16 -2.43 0.01 0.00 0.01 0.00 0.00 42.46 39.90 2jsf s ILE 79 CO 0.11 0.31 0.84 -0.70 0.00 0.00 0.00 174.94 175.50 2jsf s GLU 80 N 1.37 3.77 0.08 2.79 2.12 -1.24 -1.52 118.70 126.08 2jsf s GLU 80 Ca 0.03 0.40 0.03 0.00 0.36 0.00 0.00 54.97 55.79 2jsf s GLU 80 Cb -0.15 -3.81 -0.03 0.00 0.26 0.00 0.00 34.13 30.39 2jsf s GLU 80 CO -0.05 -0.91 -0.10 0.00 -0.54 0.00 0.00 175.26 173.66 2jsf s ALA 81 N 3.27 0.99 -0.50 6.30 0.00 -0.43 0.19 121.76 131.57 2jsf s ALA 81 Ca 0.34 -1.06 -0.14 0.00 0.00 0.00 0.00 51.96 51.10 2jsf s ALA 81 Cb -0.13 0.02 0.11 0.00 0.00 0.00 0.00 23.12 23.12 2jsf s ALA 81 CO 0.18 -0.00 0.43 -2.00 0.00 0.00 0.00 175.76 174.36 2jsf s GLU 82 N -2.36 2.88 0.36 0.00 2.56 0.57 -0.56 118.70 122.15 2jsf s GLU 82 Ca 0.01 -1.59 -0.27 0.00 0.00 0.00 0.00 54.97 53.12 2jsf s GLU 82 Cb -0.05 -4.15 -0.09 0.00 2.00 0.00 0.00 34.13 31.83 2jsf s GLU 82 CO 0.00 -1.19 1.18 -1.25 -0.56 0.00 0.00 175.26 173.45 2jsf s PRO 83 N 1.56 4.24 0.00 4.30 0.04 -1.26 0.11 135.00 144.00 2jsf s PRO 83 Ca 0.04 1.91 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2jsf s PRO 83 Cb -0.27 -2.86 0.00 0.00 0.04 0.00 0.00 34.50 31.41 2jsf s PRO 83 CO 0.03 -0.18 0.30 -0.35 0.04 0.00 0.00 177.00 176.84 2jsf n PRO 84 N 0.45 0.00 -3.57 0.56 -0.04 -1.26 -4.89 135.00 126.26 2jsf n PRO 84 Ca 0.02 0.24 0.03 0.00 -0.04 0.00 0.00 63.50 63.75 2jsf n PRO 84 Cb 0.45 -0.94 -0.00 0.00 -0.04 0.00 0.00 33.50 32.97 2jsf n PRO 84 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2jsf s PHE 85 N -1.07 -0.01 0.16 0.54 2.19 -1.26 -5.08 117.98 113.45 2jsf s PHE 85 Ca 0.00 -0.01 0.00 0.00 0.33 0.00 0.00 56.93 57.25 2jsf s PHE 85 Cb 0.00 0.51 0.00 0.00 -1.31 0.00 0.00 43.02 42.22 2jsf s PHE 85 CO 0.00 -0.03 0.00 0.41 1.83 0.00 0.00 175.22 177.43 2jsf n GLY 86 N -0.42 -1.68 3.51 13.12 0.00 0.20 -4.56 105.19 115.36 2jsf n GLY 86 Ca -0.07 -1.18 -0.57 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.98 1.76 -4.02 1.61 9.92 -1.25 -0.46 116.55 121.13 2jsf n ASP 87 Ca 0.00 0.77 -0.33 0.00 -0.53 0.00 0.00 54.79 54.70 2jsf n ASP 87 Cb 0.32 -1.09 -0.13 0.00 -0.64 0.00 0.00 41.12 39.58 2jsf n ASP 87 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2jsf s SER 88 N 5.38 4.76 -0.67 -2.24 0.01 -0.48 -4.79 113.70 115.67 2jsf s SER 88 Ca 1.08 -2.70 -0.24 0.00 1.31 0.00 0.00 55.95 55.40 2jsf s SER 88 Cb -1.16 -1.72 0.05 0.00 0.21 0.00 0.00 66.02 63.41 2jsf s SER 88 CO 0.62 -0.33 1.06 -0.31 0.41 0.00 0.00 173.24 174.69 2jsf s TYR 89 N 0.16 2.57 0.15 2.43 2.02 -1.24 0.04 117.35 123.47 2jsf s TYR 89 Ca 0.15 -0.30 -0.30 0.00 -0.37 0.00 0.00 57.07 56.25 2jsf s TYR 89 Cb -0.23 -4.37 -0.07 0.00 -0.40 0.00 0.00 41.96 36.89 2jsf s TYR 89 CO -0.03 -1.74 1.17 0.42 -1.57 0.00 0.00 175.55 173.80 2jsf s ILE 90 N 4.59 3.79 -0.13 2.71 1.01 0.70 -4.63 121.20 129.23 2jsf s ILE 90 Ca 0.28 1.44 -0.04 0.00 0.00 0.00 0.00 60.65 62.33 2jsf s ILE 90 Cb -0.13 -3.92 -0.03 0.00 0.01 0.00 0.00 42.46 38.38 2jsf s ILE 90 CO 0.13 0.20 0.02 -0.63 0.00 0.00 0.00 174.94 174.66 2jsf s ILE 91 N 0.23 4.40 0.04 2.92 1.01 -0.81 -0.10 121.20 128.90 2jsf s ILE 91 Ca 0.54 -0.19 0.07 0.00 0.00 0.00 0.00 60.65 61.07 2jsf s ILE 91 Cb -0.31 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.22 2jsf s ILE 91 CO 0.34 0.54 -0.21 -0.63 0.00 0.00 0.00 174.94 174.97 2jsf s ILE 92 N -0.23 1.71 0.00 2.92 1.01 -0.56 -0.89 121.20 125.16 2jsf s ILE 92 Ca 0.06 -1.22 0.00 0.00 0.00 0.00 0.00 60.65 59.49 2jsf s ILE 92 Cb -0.12 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.86 2jsf s ILE 92 CO 0.02 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.79 2jsf n GLY 93 N 1.83 -1.69 3.37 6.18 0.00 -0.46 0.27 105.19 114.70 2jsf n GLY 93 Ca -0.17 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 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 2.23 0.00 1.61 -7.23 -1.26 -4.33 120.40 111.42 2jsf s VAL 94 Ca 0.00 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 2jsf s VAL 94 Cb 0.00 -1.92 0.00 0.00 0.56 0.00 0.00 36.38 35.02 2jsf s VAL 94 CO 0.00 0.24 0.00 -0.62 -0.31 0.00 0.00 175.10 174.41 2jsf n GLU 95 N 1.38 0.00 -0.78 4.82 1.02 -1.26 0.04 120.64 125.86 2jsf n GLU 95 Ca -0.17 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.70 2jsf n GLU 95 Cb 0.52 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.86 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 -3.57 0.01 -0.36 3.49 -0.04 -1.26 -2.06 135.00 131.21 2jsf n PRO 96 Ca 0.00 -0.73 0.00 0.00 -0.04 0.00 0.00 63.50 62.73 2jsf n PRO 96 Cb 0.00 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 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 4.65 0.70 3.33 0.55 0.00 -1.17 -4.67 105.19 108.58 2jsf n GLY 97 Ca 0.30 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.06 -0.33 -2.97 1.61 7.27 0.11 -4.20 117.38 116.81 2jsf n GLN 98 Ca 0.00 -0.06 -0.19 0.00 0.07 0.00 0.00 57.00 56.81 2jsf n GLN 98 Cb 0.00 -1.68 0.05 0.00 2.41 0.00 0.00 30.24 31.02 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 0.62 3.25 -0.20 1.69 1.43 0.76 -4.87 118.68 121.36 2jsf s LEU 99 Ca 0.53 -0.65 -0.17 0.00 -1.03 0.00 0.00 54.13 52.82 2jsf s LEU 99 Cb -0.19 -2.00 0.06 0.00 0.03 0.00 0.00 46.19 44.08 2jsf s LEU 99 CO 0.70 -1.22 0.53 -0.54 0.23 0.00 0.00 176.35 176.04 2jsf s LYS 100 N -4.63 0.59 -0.07 1.70 1.02 -1.25 -1.50 119.74 115.60 2jsf s LYS 100 Ca 0.60 0.79 -0.03 0.00 0.02 0.00 0.00 55.97 57.35 2jsf s LYS 100 Cb -0.07 0.24 0.04 0.00 -0.52 0.00 0.00 37.83 37.52 2jsf s LYS 100 CO 0.38 -0.09 0.15 -0.51 -0.92 0.00 0.00 175.35 174.35 2jsf s LEU 101 N 0.58 0.37 -0.04 3.17 1.02 0.85 -4.88 118.68 119.75 2jsf s LEU 101 Ca -0.02 0.31 -0.19 0.00 0.02 0.00 0.00 54.13 54.24 2jsf s LEU 101 Cb -0.05 0.31 -0.05 0.00 0.02 0.00 0.00 46.19 46.42 2jsf s LEU 101 CO -0.03 -0.19 0.53 0.21 0.02 0.00 0.00 176.35 176.89 2jsf s ASN 102 N 1.67 6.86 0.26 2.29 2.47 -1.25 0.25 114.94 127.49 2jsf s ASN 102 Ca -0.04 1.02 -0.04 0.00 0.42 0.00 0.00 52.86 54.22 2jsf s ASN 102 Cb -0.12 -2.33 -0.02 0.00 -1.45 0.00 0.00 41.25 37.34 2jsf s ASN 102 CO -0.06 0.09 0.34 0.86 -3.72 0.00 0.00 177.10 174.62 2jsf s TRP 103 N 0.00 0.93 0.00 0.43 -0.11 0.11 -4.87 118.94 115.43 2jsf s TRP 103 Ca 0.29 -1.17 0.00 0.00 1.22 0.00 0.00 56.10 56.43 2jsf s TRP 103 Cb -0.17 -0.21 0.00 0.00 -1.50 0.00 0.00 33.47 31.59 2jsf s TRP 103 CO 0.14 -0.90 0.00 0.34 -4.62 0.00 0.00 176.95 171.91 2jsf n PHE 104 N -0.41 0.00 -4.76 5.86 -0.00 -1.26 -1.38 117.46 115.50 2jsf n PHE 104 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 2jsf n PHE 104 Cb 0.63 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.11 2jsf n PHE 104 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.76 177.93 2jsf n LYS 105 N 0.00 0.00 0.00 -4.13 4.81 0.40 -4.56 118.16 114.68 2jsf n LYS 105 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2jsf n LYS 105 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 0.62 118.16 123.97 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 -0.11 0.00 0.00 0.02 0.00 0.00 35.03 34.94 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 2.44 0.00 3.71 3.14 0.00 -1.26 -4.59 105.19 108.63 2jsf n GLY 107 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2jsf n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jsf s SER 108 N -3.37 3.41 -0.01 1.61 0.01 -1.26 -5.06 113.70 109.03 2jsf s SER 108 Ca 0.00 1.53 -0.01 0.00 1.31 0.00 0.00 55.95 58.78 2jsf s SER 108 Cb 0.00 -2.20 0.00 0.00 0.21 0.00 0.00 66.02 64.03 2jsf s SER 108 CO 0.00 -2.69 0.02 -0.44 0.41 0.00 0.00 173.24 170.54 2jsf s SER 109 N -3.36 -0.02 -0.40 2.44 0.01 -1.26 -4.82 113.70 106.30 2jsf s SER 109 Ca 0.64 0.04 -0.20 0.00 1.31 0.00 0.00 55.95 57.74 2jsf s SER 109 Cb -0.18 0.04 0.03 0.00 0.21 0.00 0.00 66.02 66.11 2jsf s SER 109 CO 0.57 -0.01 0.51 -0.11 0.41 0.00 0.00 173.24 174.61 2jsf n LEU 110 N 3.14 -6.22 -4.58 2.44 7.94 -1.26 -4.63 117.00 113.83 2jsf n LEU 110 Ca -0.13 0.45 -0.16 0.00 -1.11 0.00 0.00 56.01 55.06 2jsf n LEU 110 Cb 0.59 -2.80 -0.11 0.00 0.53 0.00 0.00 43.42 41.63 2jsf n LEU 110 CO 0.25 -1.77 1.12 -1.61 -1.11 0.00 0.00 177.39 174.27 2jsf s GLU 111 N -2.36 1.26 -0.87 1.96 2.02 -1.26 -4.84 118.70 114.61 2jsf s GLU 111 Ca 0.24 -0.46 -0.23 0.00 0.02 0.00 0.00 54.97 54.54 2jsf s GLU 111 Cb -0.05 -4.99 0.07 0.00 0.10 0.00 0.00 34.13 29.26 2jsf s GLU 111 CO 0.76 -5.40 1.24 -1.58 0.02 0.00 0.00 175.26 170.30 2jsf s HIS 112 N 16.63 2.67 -0.25 1.61 2.46 -1.26 -4.94 115.29 132.22 2jsf s HIS 112 Ca 0.81 -0.78 -0.19 0.00 0.47 0.00 0.00 55.06 55.37 2jsf s HIS 112 Cb -0.05 -4.50 0.07 0.00 -0.13 0.00 0.00 32.58 27.97 2jsf s HIS 112 CO 0.18 -1.79 0.63 -1.01 -2.47 0.00 0.00 174.74 170.28 2jsf s HIS 113 N 4.34 -0.80 -0.29 3.88 4.02 -1.26 -5.16 115.29 120.02 2jsf s HIS 113 Ca 0.36 1.80 -0.19 0.00 1.02 0.00 0.00 55.06 58.05 2jsf s HIS 113 Cb -0.06 0.36 0.13 0.00 -1.02 0.00 0.00 32.58 31.99 2jsf s HIS 113 CO -0.01 -0.40 0.94 -1.58 1.02 0.00 0.00 174.74 174.71 2jsf s HIS 114 N 0.84 -0.62 0.38 1.40 2.46 -1.26 -5.17 115.29 113.31 2jsf s HIS 114 Ca -0.04 1.31 -0.01 0.00 0.47 0.00 0.00 55.06 56.80 2jsf s HIS 114 Cb -0.05 0.39 -0.03 0.00 -0.13 0.00 0.00 32.58 32.76 2jsf s HIS 114 CO -0.07 -0.31 0.60 -1.58 -2.47 0.00 0.00 174.74 170.92 2jsf s HIS 115 N 1.05 3.51 0.00 3.88 2.46 -1.26 -4.97 115.29 119.96 2jsf s HIS 115 Ca -0.06 0.45 0.00 0.00 0.47 0.00 0.00 55.06 55.92 2jsf s HIS 115 Cb -0.04 -1.98 0.00 0.00 -0.13 0.00 0.00 32.58 30.43 2jsf s HIS 115 CO -0.13 0.03 0.00 1.58 -2.47 0.00 0.00 174.74 173.76 2jsf n HIS 116 N -1.89 -2.30 -1.62 3.88 -0.00 -1.26 -5.37 115.22 106.65 2jsf n HIS 116 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 2jsf n HIS 116 Cb 0.56 0.46 0.00 0.00 -0.12 0.00 0.00 29.99 30.89 2jsf n HIS 116 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38