#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 -6.69 -2.77 6.12 2.03 -1.26 -4.99 116.55 109.00 2jsf n ASP 2 Ca 0.00 1.20 -0.03 0.00 0.52 0.00 0.00 54.79 56.49 2jsf n ASP 2 Cb 0.00 -3.38 -0.02 0.00 -0.72 0.00 0.00 41.12 37.00 2jsf n ASP 2 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2jsf n LYS 3 N -3.52 -3.35 -2.79 -0.67 5.02 -1.26 -4.97 118.16 106.64 2jsf n LYS 3 Ca 0.01 2.66 -0.18 0.00 -2.02 0.00 0.00 58.31 58.78 2jsf n LYS 3 Cb 0.51 -4.13 -0.00 0.00 -0.02 0.00 0.00 35.03 31.39 2jsf n LYS 3 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2jsf n LEU 4 N 1.48 2.56 -1.89 -0.35 -0.00 -1.26 -4.84 117.00 112.70 2jsf n LEU 4 Ca -0.19 -4.69 -0.02 0.00 -0.00 0.00 0.00 56.01 51.11 2jsf n LEU 4 Cb 0.35 0.13 0.06 0.00 -0.00 0.00 0.00 43.42 43.96 2jsf n LEU 4 CO 0.32 2.02 0.11 0.00 -0.00 0.00 0.00 177.39 179.84 2jsf n GLN 5 N -0.11 1.51 -3.79 1.47 6.02 -1.26 -4.99 117.38 116.23 2jsf n GLN 5 Ca 0.23 -3.13 -0.30 0.00 -0.01 0.00 0.00 57.00 53.80 2jsf n GLN 5 Cb 0.68 -1.23 -0.14 0.00 1.02 0.00 0.00 30.24 30.56 2jsf n GLN 5 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2jsf s LEU 6 N -2.49 2.96 -0.56 1.08 1.43 -1.26 -5.05 118.68 114.79 2jsf s LEU 6 Ca 0.35 -2.08 0.04 0.00 -1.03 0.00 0.00 54.13 51.42 2jsf s LEU 6 Cb 0.37 -1.10 0.14 0.00 0.03 0.00 0.00 46.19 45.63 2jsf s LEU 6 CO -0.07 -0.36 0.33 -0.75 0.23 0.00 0.00 176.35 175.73 2jsf s LYS 7 N 1.04 2.01 -0.11 1.70 2.47 -1.26 -5.06 119.74 120.54 2jsf s LYS 7 Ca 0.13 -2.76 -0.30 0.00 -1.56 0.00 0.00 55.97 51.47 2jsf s LYS 7 Cb -0.20 -3.18 0.12 0.00 -1.46 0.00 0.00 37.83 33.12 2jsf s LYS 7 CO -0.14 -1.18 1.00 0.20 0.16 0.00 0.00 175.35 175.39 2jsf s GLY 8 N -0.57 -0.33 -0.16 5.54 0.00 -1.26 -5.07 107.32 105.47 2jsf s GLY 8 Ca 0.20 1.62 -0.13 0.00 0.00 0.00 0.00 44.72 46.40 2jsf s GLY 8 CO -0.06 0.70 0.29 -0.13 0.00 0.00 0.00 173.10 173.90 2jsf n MET 9 N 0.24 0.67 0.00 2.90 1.56 -1.26 -4.90 117.12 116.34 2jsf n MET 9 Ca -0.08 0.40 0.00 0.00 -0.27 0.00 0.00 57.70 57.75 2jsf n MET 9 Cb 0.59 -1.72 0.00 0.00 2.15 0.00 0.00 33.22 34.24 2jsf n MET 9 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2jsf n SER 10 N -3.91 0.00 0.00 6.12 2.88 -1.26 -4.15 113.62 113.30 2jsf n SER 10 Ca -0.32 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 2jsf n SER 10 Cb 0.89 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.35 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 0.00 -0.57 0.00 0.66 4.19 -1.26 -5.15 117.16 115.04 2jsf n TYR 11 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 2jsf n TYR 11 Cb 0.00 0.26 0.00 0.00 0.49 0.00 0.00 39.34 40.09 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 -1.77 0.00 -3.06 2.98 2.88 -1.26 -4.99 113.62 108.41 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 3.79 0.04 -1.08 -1.46 0.23 -1.26 -3.97 119.30 115.59 2jsf s MET 13 Ca 0.00 0.03 -0.27 0.00 -1.03 0.00 0.00 55.69 54.42 2jsf s MET 13 Cb 0.00 0.02 -0.23 0.00 -1.53 0.00 0.00 34.83 33.09 2jsf s MET 13 CO 0.00 -0.08 2.13 0.00 -2.03 0.00 0.00 175.02 175.04 2jsf n THR 15 N 9.06 0.00 0.00 0.00 -2.24 -1.26 -4.25 114.28 115.60 2jsf n THR 15 Ca 0.41 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 62.15 2jsf n THR 15 Cb 0.47 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 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 1.26 -2.83 3.65 3.38 0.00 -1.26 -4.47 105.19 104.92 2jsf n GLY 16 Ca 0.15 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 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 2.05 0.00 1.61 3.01 -1.25 -4.19 119.74 120.97 2jsf s LYS 17 Ca 0.00 -2.26 0.02 0.00 -1.01 0.00 0.00 55.97 52.72 2jsf s LYS 17 Cb 0.00 -1.26 -0.01 0.00 -1.01 0.00 0.00 37.83 35.56 2jsf s LYS 17 CO 0.00 -0.33 -0.06 -0.06 0.51 0.00 0.00 175.35 175.41 2jsf s PHE 18 N -2.97 0.50 -0.24 3.18 0.40 -1.26 0.28 117.98 117.87 2jsf s PHE 18 Ca 0.17 -0.15 -0.04 0.00 -0.60 0.00 0.00 56.93 56.32 2jsf s PHE 18 Cb 0.04 -0.32 0.01 0.00 0.51 0.00 0.00 43.02 43.25 2jsf s PHE 18 CO 0.09 -0.02 -0.03 0.21 0.70 0.00 0.00 175.22 176.18 2jsf s LYS 19 N -0.33 3.16 0.10 0.44 2.20 0.45 -4.62 119.74 121.14 2jsf s LYS 19 Ca 0.00 -0.77 -0.31 0.00 -0.36 0.00 0.00 55.97 54.53 2jsf s LYS 19 Cb -0.03 -3.06 -0.10 0.00 -1.51 0.00 0.00 37.83 33.12 2jsf s LYS 19 CO -0.00 -0.30 1.87 0.28 -0.36 0.00 0.00 175.35 176.84 2jsf n VAL 20 N 4.77 0.46 -0.05 4.02 0.31 -1.26 0.64 118.33 127.23 2jsf n VAL 20 Ca -0.17 -0.08 -0.03 0.00 -0.01 0.00 0.00 64.34 64.05 2jsf n VAL 20 Cb 0.49 -2.17 -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 4.91 1.01 -3.66 2.52 0.31 0.28 -4.80 118.33 118.89 2jsf n VAL 21 Ca 0.19 -0.73 -0.10 0.00 -0.01 0.00 0.00 64.34 63.68 2jsf n VAL 21 Cb 0.38 -0.43 -0.08 0.00 -0.91 0.00 0.00 33.84 32.80 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 -2.84 0.64 0.98 5.55 2.20 0.38 -4.95 119.74 121.71 2jsf s LYS 22 Ca -0.08 1.01 -0.14 0.00 -0.36 0.00 0.00 55.97 56.40 2jsf s LYS 22 Cb 0.09 0.17 0.02 0.00 -1.51 0.00 0.00 37.83 36.60 2jsf s LYS 22 CO 0.85 -0.13 0.16 -1.91 -0.36 0.00 0.00 175.35 173.95 2jsf n GLU 23 N 3.80 -0.45 -1.68 4.03 2.13 -1.26 -2.73 120.64 124.47 2jsf n GLU 23 Ca -0.19 -0.10 -0.45 0.00 0.66 0.00 0.00 57.16 57.09 2jsf n GLU 23 Cb 0.57 -1.71 -0.03 0.00 0.27 0.00 0.00 31.44 30.54 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 -3.59 0.53 -3.89 6.31 2.08 -1.26 -4.47 119.36 115.07 2jsf n ILE 24 Ca 0.05 -0.13 -0.22 0.00 0.56 0.00 0.00 62.75 63.00 2jsf n ILE 24 Cb 0.56 -1.58 -0.05 0.00 -0.75 0.00 0.00 39.64 37.81 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 0.40 3.74 -0.13 -1.39 0.00 0.74 -4.79 121.76 120.33 2jsf s ALA 25 Ca 0.72 -1.85 -0.00 0.00 0.00 0.00 0.00 51.96 50.83 2jsf s ALA 25 Cb -0.64 -0.85 -0.02 0.00 0.00 0.00 0.00 23.12 21.62 2jsf s ALA 25 CO 0.44 -0.08 -0.13 -1.83 0.00 0.00 0.00 175.76 174.17 2jsf s GLU 26 N -3.97 3.36 0.00 0.00 1.03 -1.26 0.30 118.70 118.17 2jsf s GLU 26 Ca 0.42 -0.68 0.00 0.00 0.03 0.00 0.00 54.97 54.74 2jsf s GLU 26 Cb -0.02 -2.63 0.00 0.00 -0.80 0.00 0.00 34.13 30.67 2jsf s GLU 26 CO 0.25 0.23 0.00 0.25 -1.33 0.00 0.00 175.26 174.66 2jsf n THR 27 N 3.48 0.00 -1.05 1.83 -2.24 -0.50 -4.87 114.28 110.92 2jsf n THR 27 Ca -0.18 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2jsf n THR 27 Cb 0.53 -1.91 0.31 0.00 -2.10 0.00 0.00 70.33 67.15 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 -0.76 3.59 0.00 -0.78 10.64 -1.26 -4.25 117.38 124.56 2jsf n GLN 28 Ca 0.00 -3.06 0.00 0.00 -1.83 0.00 0.00 57.00 52.11 2jsf n GLN 28 Cb 0.00 -2.11 0.00 0.00 -0.86 0.00 0.00 30.24 27.27 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 -0.19 0.00 -0.10 2.61 8.25 -1.26 -4.96 115.22 119.57 2jsf n HIS 29 Ca 0.34 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2jsf n HIS 29 Cb 1.21 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 32.30 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 -0.20 0.59 2.91 -1.41 0.00 -1.26 -5.07 105.19 100.75 2jsf n GLY 30 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.01 0.00 -3.97 2.61 -2.24 -1.26 -4.09 114.28 103.32 2jsf n THR 31 Ca 0.00 -1.16 -0.09 0.00 -2.27 0.00 0.00 64.05 60.52 2jsf n THR 31 Cb 0.00 -1.04 -0.11 0.00 -2.10 0.00 0.00 70.33 67.08 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 -2.30 0.11 -0.10 2.28 1.01 0.15 -1.41 121.20 120.94 2jsf s ILE 32 Ca 0.50 -0.91 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2jsf s ILE 32 Cb -0.03 -0.33 -0.01 0.00 0.01 0.00 0.00 42.46 42.10 2jsf s ILE 32 CO 0.33 -0.50 -0.18 -0.69 0.00 0.00 0.00 174.94 173.90 2jsf s VAL 33 N -1.55 2.65 -0.23 2.92 1.01 0.87 -0.16 120.40 125.91 2jsf s VAL 33 Ca -0.15 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 60.99 2jsf s VAL 33 Cb -0.09 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.24 2jsf s VAL 33 CO -0.01 0.55 -0.07 -0.51 0.00 0.00 0.00 175.10 175.06 2jsf s ILE 34 N 0.17 2.94 -0.25 2.22 -1.16 0.11 0.26 121.20 125.49 2jsf s ILE 34 Ca -0.10 -0.86 -0.12 0.00 -0.51 0.00 0.00 60.65 59.06 2jsf s ILE 34 Cb -0.16 -2.42 -0.05 0.00 0.61 0.00 0.00 42.46 40.44 2jsf s ILE 34 CO 0.06 0.30 0.23 -0.60 -2.81 0.00 0.00 174.94 172.12 2jsf s ARG 35 N 1.37 4.03 0.08 3.50 3.52 -1.11 0.12 118.95 130.46 2jsf s ARG 35 Ca 0.02 -0.18 -0.12 0.00 -0.13 0.00 0.00 55.73 55.32 2jsf s ARG 35 Cb -0.16 -3.60 0.01 0.00 -1.56 0.00 0.00 34.95 29.65 2jsf s ARG 35 CO -0.05 -0.09 0.27 0.14 -0.81 0.00 0.00 175.30 174.76 2jsf s VAL 36 N 1.51 0.11 -0.24 7.11 -7.23 0.10 0.98 120.40 122.74 2jsf s VAL 36 Ca 0.10 -0.88 -0.08 0.00 -1.81 0.00 0.00 61.98 59.30 2jsf s VAL 36 Cb -0.15 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.60 2jsf s VAL 36 CO 0.08 -0.49 0.09 -1.58 -0.31 0.00 0.00 175.10 172.89 2jsf s GLN 37 N -3.38 3.78 0.50 4.82 0.74 0.21 0.15 119.66 126.48 2jsf s GLN 37 Ca 0.01 -0.42 -0.23 0.00 0.05 0.00 0.00 55.36 54.77 2jsf s GLN 37 Cb 0.02 -3.36 -0.06 0.00 1.10 0.00 0.00 33.01 30.71 2jsf s GLN 37 CO -0.09 -0.08 1.37 -0.47 -0.55 0.00 0.00 175.29 175.47 2jsf s TYR 38 N 1.35 2.41 0.00 1.67 5.04 -1.26 -0.41 117.35 126.15 2jsf s TYR 38 Ca 0.05 1.35 0.00 0.00 -2.44 0.00 0.00 57.07 56.03 2jsf s TYR 38 Cb -0.15 -3.81 0.00 0.00 0.35 0.00 0.00 41.96 38.35 2jsf s TYR 38 CO 0.04 -2.79 0.00 0.39 -1.34 0.00 0.00 175.55 171.86 2jsf n GLU 39 N -0.65 3.38 0.00 4.97 -0.58 0.79 -3.95 120.64 124.59 2jsf n GLU 39 Ca 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 2jsf n GLU 39 Cb 0.44 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.31 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 5.00 1.59 3.01 0.62 0.00 -1.26 -3.83 105.19 110.32 2jsf n GLY 40 Ca 0.00 -0.30 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 2jsf n GLY 40 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jsf s ASP 41 N -4.00 0.82 0.00 1.61 1.01 -1.26 -4.86 116.67 109.99 2jsf s ASP 41 Ca 0.00 -0.26 0.00 0.00 0.71 0.00 0.00 52.55 53.00 2jsf s ASP 41 Cb 0.00 -0.05 0.00 0.00 1.01 0.00 0.00 42.92 43.88 2jsf s ASP 41 CO 0.00 -0.01 0.00 0.61 0.21 0.00 0.00 175.17 175.98 2jsf n GLY 42 N 2.43 0.02 7.00 0.21 0.00 -1.26 -4.01 105.19 109.57 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 -0.95 -4.54 1.61 2.88 -1.26 -3.96 113.62 107.39 2jsf n SER 43 Ca 0.00 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.36 2jsf n SER 43 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 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 0.40 -4.18 -1.46 -0.02 -1.23 -4.27 135.00 124.24 2jsf n PRO 44 Ca 0.00 -0.53 -0.14 0.00 -2.02 0.00 0.00 63.50 60.81 2jsf n PRO 44 Cb 0.00 -2.83 -0.08 0.00 -0.02 0.00 0.00 33.50 30.57 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 -3.80 2.30 -0.16 0.00 1.02 -1.25 -0.36 119.74 117.48 2jsf s LYS 46 Ca 0.36 -0.13 -0.02 0.00 0.02 0.00 0.00 55.97 56.21 2jsf s LYS 46 Cb 0.04 -2.14 -0.02 0.00 -0.52 0.00 0.00 37.83 35.19 2jsf s LYS 46 CO 0.17 -1.21 -0.08 0.42 -0.92 0.00 0.00 175.35 173.73 2jsf s ILE 47 N -3.27 3.38 0.46 2.17 -1.09 0.71 0.26 121.20 123.82 2jsf s ILE 47 Ca 0.59 -0.53 -0.24 0.00 -2.23 0.00 0.00 60.65 58.24 2jsf s ILE 47 Cb -0.11 -2.47 -0.07 0.00 -1.58 0.00 0.00 42.46 38.23 2jsf s ILE 47 CO 0.46 0.49 1.33 -2.84 -1.23 0.00 0.00 174.94 173.14 2jsf s PRO 48 N 0.67 3.65 0.15 2.79 0.02 -1.26 -3.85 135.00 137.17 2jsf s PRO 48 Ca -0.04 2.19 -0.15 0.00 0.02 0.00 0.00 61.00 63.01 2jsf s PRO 48 Cb -0.15 -2.55 0.03 0.00 0.02 0.00 0.00 34.50 31.84 2jsf s PRO 48 CO 0.02 -0.76 0.41 0.12 -0.33 0.00 0.00 177.00 176.46 2jsf s PHE 49 N -1.30 -0.08 -0.30 6.54 2.19 -1.26 -1.56 117.98 122.22 2jsf s PHE 49 Ca 0.63 -0.26 -0.19 0.00 0.33 0.00 0.00 56.93 57.44 2jsf s PHE 49 Cb -0.39 0.24 0.17 0.00 -1.31 0.00 0.00 43.02 41.73 2jsf s PHE 49 CO 0.48 -0.76 1.26 -2.00 1.83 0.00 0.00 175.22 176.03 2jsf s GLU 50 N -3.85 0.00 -0.11 10.12 2.56 -0.04 -4.92 118.70 122.47 2jsf s GLU 50 Ca 0.07 0.01 0.03 0.00 0.00 0.00 0.00 54.97 55.07 2jsf s GLU 50 Cb 0.01 0.00 0.24 0.00 2.00 0.00 0.00 34.13 36.39 2jsf s GLU 50 CO -0.08 -0.01 1.11 -0.89 -0.56 0.00 0.00 175.26 174.83 2jsf n ILE 51 N 5.43 1.32 0.05 -3.70 5.41 -1.26 0.14 119.36 126.75 2jsf n ILE 51 Ca -0.07 -0.54 0.00 0.00 1.00 0.00 0.00 62.75 63.13 2jsf n ILE 51 Cb 0.55 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.85 2jsf n ILE 51 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 2jsf n MET 52 N 0.08 0.00 0.00 0.38 2.81 -1.25 -4.25 117.12 114.89 2jsf n MET 52 Ca 0.14 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.03 2jsf n MET 52 Cb 0.73 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.24 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 -2.75 -0.10 0.00 7.83 2.03 -1.26 -4.30 116.55 118.01 2jsf n ASP 53 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2jsf n ASP 53 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2jsf n ASP 53 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2jsf n LEU 54 N 0.00 0.00 -2.72 -2.67 7.99 -1.26 -2.56 117.00 115.78 2jsf n LEU 54 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 56.01 55.92 2jsf n LEU 54 Cb 0.00 0.00 0.09 0.00 -0.11 0.00 0.00 43.42 43.40 2jsf n LEU 54 CO 0.00 0.00 0.39 -1.84 -1.51 0.00 0.00 177.39 174.43 2jsf n GLU 55 N 0.00 0.82 -3.29 3.23 0.28 -1.26 -5.06 120.64 115.36 2jsf n GLU 55 Ca 0.00 -1.68 -0.45 0.00 -0.16 0.00 0.00 57.16 54.87 2jsf n GLU 55 Cb 0.00 -0.93 -0.00 0.00 1.43 0.00 0.00 31.44 31.93 2jsf n GLU 55 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2jsf s LYS 56 N 0.29 4.11 0.71 3.44 -0.14 -1.06 -5.04 119.74 122.05 2jsf s LYS 56 Ca 0.23 -3.03 -0.09 0.00 -1.36 0.00 0.00 55.97 51.72 2jsf s LYS 56 Cb 0.28 -4.61 0.14 0.00 -1.68 0.00 0.00 37.83 31.96 2jsf s LYS 56 CO -0.10 -1.32 0.32 0.54 -0.76 0.00 0.00 175.35 174.03 2jsf n ARG 57 N 3.25 -1.11 -2.90 1.68 1.74 -1.26 -4.51 116.66 113.54 2jsf n ARG 57 Ca 0.24 -0.53 -0.06 0.00 -0.77 0.00 0.00 57.85 56.72 2jsf n ARG 57 Cb 0.41 -1.04 0.01 0.00 -1.02 0.00 0.00 32.46 30.81 2jsf n ARG 57 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 2jsf n HIS 58 N -3.90 -3.18 -2.54 -1.55 8.25 -1.26 -4.88 115.22 106.17 2jsf n HIS 58 Ca 0.05 1.36 -0.42 0.00 -0.26 0.00 0.00 57.72 58.45 2jsf n HIS 58 Cb 0.22 -3.41 -0.03 0.00 1.12 0.00 0.00 29.99 27.89 2jsf n HIS 58 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2jsf s VAL 59 N -1.84 4.42 0.00 1.59 1.01 -1.26 -4.78 120.40 119.53 2jsf s VAL 59 Ca 0.12 1.73 0.00 0.00 0.00 0.00 0.00 61.98 63.83 2jsf s VAL 59 Cb -0.03 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.24 2jsf s VAL 59 CO 0.68 0.06 0.00 0.18 0.00 0.00 0.00 175.10 176.02 2jsf n LEU 60 N 4.63 0.00 -4.17 3.92 4.77 -1.26 -5.12 117.00 119.78 2jsf n LEU 60 Ca 0.09 0.00 -0.35 0.00 -0.03 0.00 0.00 56.01 55.72 2jsf n LEU 60 Cb 0.48 0.14 0.07 0.00 -2.33 0.00 0.00 43.42 41.78 2jsf n LEU 60 CO 0.54 -0.25 -0.83 0.61 -1.33 0.00 0.00 177.39 176.12 2jsf n GLY 61 N -0.13 -3.58 3.51 -0.72 0.00 -1.26 -4.66 105.19 98.36 2jsf n GLY 61 Ca 0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.67 1.49 -0.17 1.61 3.00 0.64 -4.90 118.95 117.95 2jsf s ARG 62 Ca 0.47 -1.34 0.01 0.00 -1.00 0.00 0.00 55.73 53.88 2jsf s ARG 62 Cb -0.19 0.43 0.02 0.00 0.00 0.00 0.00 34.95 35.21 2jsf s ARG 62 CO 0.77 -0.60 -0.20 -1.17 0.00 0.00 0.00 175.30 174.10 2jsf s LEU 63 N -3.05 2.15 0.04 -0.88 1.98 -1.26 0.25 118.68 117.91 2jsf s LEU 63 Ca 0.26 -0.62 0.08 0.00 -2.89 0.00 0.00 54.13 50.95 2jsf s LEU 63 Cb 0.01 -1.48 -0.23 0.00 0.66 0.00 0.00 46.19 45.15 2jsf s LEU 63 CO 0.10 0.03 0.97 0.40 -1.89 0.00 0.00 176.35 175.96 2jsf h ILE 64 N 5.88 1.29 -1.24 6.68 5.03 0.23 -3.25 117.51 132.13 2jsf h ILE 64 Ca -0.41 -3.05 -0.65 0.00 -0.12 0.00 0.00 64.86 60.64 2jsf h ILE 64 Cb 1.16 2.66 -0.34 0.00 -3.03 0.00 0.00 36.82 37.27 2jsf h ILE 64 CO 0.61 0.76 0.21 0.41 -0.68 0.00 0.00 178.15 179.46 2jsf n THR 65 N -3.24 3.13 -0.69 -0.27 -1.04 -0.29 -4.96 114.28 106.91 2jsf n THR 65 Ca -0.09 -3.90 -0.25 0.00 -2.04 0.00 0.00 64.05 57.77 2jsf n THR 65 Cb 1.00 -1.19 -0.03 0.00 -1.82 0.00 0.00 70.33 68.29 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 -0.71 0.48 -2.58 12.58 0.31 -1.23 -2.05 118.33 125.14 2jsf n VAL 66 Ca 0.52 -0.12 -0.10 0.00 -0.01 0.00 0.00 64.34 64.63 2jsf n VAL 66 Cb 0.65 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.58 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 0.83 -1.63 -3.15 4.52 0.23 -1.26 -4.86 115.26 109.95 2jsf n ASN 67 Ca 0.09 -0.24 -0.13 0.00 -0.53 0.00 0.00 54.58 53.77 2jsf n ASN 67 Cb 0.08 -0.52 0.13 0.00 -2.08 0.00 0.00 39.78 37.39 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 -0.84 -2.67 -3.89 -0.53 -0.04 -0.87 -3.85 135.00 122.31 2jsf n PRO 68 Ca -0.08 -0.62 -0.11 0.00 -0.04 0.00 0.00 63.50 62.64 2jsf n PRO 68 Cb 0.23 -0.88 -0.13 0.00 -0.04 0.00 0.00 33.50 32.67 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 -1.46 0.03 0.27 0.52 1.01 -1.26 0.25 121.20 120.55 2jsf s ILE 69 Ca 0.29 -0.22 0.04 0.00 0.00 0.00 0.00 60.65 60.75 2jsf s ILE 69 Cb -0.05 -0.11 -0.03 0.00 0.01 0.00 0.00 42.46 42.28 2jsf s ILE 69 CO 0.24 -0.12 0.41 -0.69 0.00 0.00 0.00 174.94 174.77 2jsf s VAL 70 N -0.36 5.21 -0.02 2.92 1.01 0.51 -4.91 120.40 124.77 2jsf s VAL 70 Ca -0.04 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.14 2jsf s VAL 70 Cb -0.03 -3.86 -0.10 0.00 0.00 0.00 0.00 36.38 32.40 2jsf s VAL 70 CO -0.00 -0.38 0.13 0.41 0.00 0.00 0.00 175.10 175.25 2jsf n THR 71 N -1.50 0.07 -1.18 3.92 -1.04 -1.26 -2.29 114.28 110.99 2jsf n THR 71 Ca -0.08 -0.17 0.02 0.00 -2.04 0.00 0.00 64.05 61.78 2jsf n THR 71 Cb 0.57 0.15 0.03 0.00 -1.82 0.00 0.00 70.33 69.26 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 -1.82 0.81 -0.46 -2.82 1.02 -1.26 -3.56 120.64 112.56 2jsf n GLU 72 Ca -0.03 -1.31 0.00 0.00 -0.02 0.00 0.00 57.16 55.80 2jsf n GLU 72 Cb 0.26 -0.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.87 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 -4.60 118.16 120.19 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 -2.91 0.00 0.00 0.02 0.00 0.00 35.03 32.69 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 0.16 -4.60 3.14 2.03 -1.25 -3.86 116.55 112.16 2jsf n ASP 74 Ca 0.00 -1.02 -0.43 0.00 0.52 0.00 0.00 54.79 53.86 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 6.16 -0.30 1.67 0.15 -1.26 -4.61 113.70 115.48 2jsf s SER 75 Ca 0.00 0.90 -0.34 0.00 0.70 0.00 0.00 55.95 57.21 2jsf s SER 75 Cb 0.00 -2.54 -0.11 0.00 -1.71 0.00 0.00 66.02 61.67 2jsf s SER 75 CO 0.00 -1.56 2.16 -0.81 1.20 0.00 0.00 173.24 174.22 2jsf n PRO 76 N 8.26 1.30 -4.02 5.44 -0.04 -1.26 -4.33 135.00 140.35 2jsf n PRO 76 Ca 0.18 0.37 -0.33 0.00 -0.04 0.00 0.00 63.50 63.68 2jsf n PRO 76 Cb 0.48 -2.58 -0.06 0.00 -0.04 0.00 0.00 33.50 31.29 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 7.09 5.01 -0.16 0.52 1.01 0.40 -4.72 120.40 129.56 2jsf s VAL 77 Ca 1.07 -0.30 -0.07 0.00 0.00 0.00 0.00 61.98 62.67 2jsf s VAL 77 Cb -0.77 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2jsf s VAL 77 CO 0.48 0.35 0.10 0.20 0.00 0.00 0.00 175.10 176.22 2jsf s ASN 78 N -1.78 5.97 -0.23 3.32 -0.87 -1.23 0.01 114.94 120.12 2jsf s ASN 78 Ca 0.24 0.25 -0.02 0.00 -1.57 0.00 0.00 52.86 51.76 2jsf s ASN 78 Cb -0.12 -1.97 0.01 0.00 -0.02 0.00 0.00 41.25 39.15 2jsf s ASN 78 CO 0.15 0.27 -0.08 -0.63 -2.57 0.00 0.00 177.10 174.25 2jsf s ILE 79 N -0.20 2.91 -0.42 0.60 1.01 0.33 -4.73 121.20 120.71 2jsf s ILE 79 Ca 0.09 -0.84 -0.23 0.00 0.00 0.00 0.00 60.65 59.67 2jsf s ILE 79 Cb -0.12 -2.40 0.02 0.00 0.01 0.00 0.00 42.46 39.98 2jsf s ILE 79 CO 0.01 0.32 0.78 -0.70 0.00 0.00 0.00 174.94 175.35 2jsf s GLU 80 N 1.37 3.52 0.08 2.79 2.12 -1.24 -0.71 118.70 126.64 2jsf s GLU 80 Ca 0.03 0.03 0.07 0.00 0.36 0.00 0.00 54.97 55.46 2jsf s GLU 80 Cb -0.15 -3.89 -0.03 0.00 0.26 0.00 0.00 34.13 30.31 2jsf s GLU 80 CO -0.05 -1.02 -0.18 0.00 -0.54 0.00 0.00 175.26 173.46 2jsf s ALA 81 N 3.22 1.55 -0.49 6.30 0.00 0.78 0.22 121.76 133.34 2jsf s ALA 81 Ca 0.30 -1.13 -0.16 0.00 0.00 0.00 0.00 51.96 50.98 2jsf s ALA 81 Cb -0.12 -0.20 0.08 0.00 0.00 0.00 0.00 23.12 22.88 2jsf s ALA 81 CO 0.21 0.29 0.44 -2.00 0.00 0.00 0.00 175.76 174.70 2jsf s GLU 82 N -1.75 2.99 0.36 0.00 2.12 0.70 0.32 118.70 123.44 2jsf s GLU 82 Ca 0.03 -1.38 -0.22 0.00 0.36 0.00 0.00 54.97 53.76 2jsf s GLU 82 Cb -0.10 -4.16 -0.10 0.00 0.26 0.00 0.00 34.13 30.03 2jsf s GLU 82 CO 0.03 -1.11 0.90 -1.25 -0.54 0.00 0.00 175.26 173.30 2jsf s PRO 83 N 1.73 4.33 0.10 4.30 0.04 -1.26 0.23 135.00 144.47 2jsf s PRO 83 Ca 0.05 1.12 -0.26 0.00 0.04 0.00 0.00 61.00 61.95 2jsf s PRO 83 Cb -0.25 -2.48 -0.12 0.00 0.04 0.00 0.00 34.50 31.68 2jsf s PRO 83 CO 0.06 0.13 1.69 -1.00 0.04 0.00 0.00 177.00 177.92 2jsf h PRO 84 N 2.51 -0.30 -3.73 0.56 0.13 -1.92 -3.46 132.00 125.80 2jsf h PRO 84 Ca -0.48 0.02 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 2jsf h PRO 84 Cb 1.18 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.32 2jsf h PRO 84 CO 0.63 -0.20 -0.06 -0.06 -0.23 0.00 0.00 178.00 178.09 2jsf s PHE 85 N -6.14 0.65 -1.16 1.56 0.08 -1.26 -5.05 117.98 106.67 2jsf s PHE 85 Ca -0.15 -1.03 -0.20 0.00 0.12 0.00 0.00 56.93 55.68 2jsf s PHE 85 Cb 0.07 0.21 -0.04 0.00 -0.57 0.00 0.00 43.02 42.69 2jsf s PHE 85 CO 0.65 -1.21 1.92 0.41 -0.10 0.00 0.00 175.22 176.90 2jsf n GLY 86 N -0.51 2.29 0.00 4.36 0.00 0.28 -4.43 105.19 107.18 2jsf n GLY 86 Ca -0.02 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 9.99 0.00 0.00 1.61 5.75 0.68 0.25 116.55 134.82 2jsf n ASP 87 Ca 0.48 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 55.26 2jsf n ASP 87 Cb 0.44 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 2jsf n ASP 87 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2jsf n SER 88 N 0.00 0.00 -3.33 -1.12 7.64 0.26 -4.91 113.62 112.17 2jsf n SER 88 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 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 -2.68 -0.89 -0.15 1.43 1.51 -1.25 -1.61 117.35 113.71 2jsf s TYR 89 Ca 0.00 0.26 -0.29 0.00 -1.01 0.00 0.00 57.07 56.03 2jsf s TYR 89 Cb 0.00 -0.20 -0.02 0.00 -0.11 0.00 0.00 41.96 41.63 2jsf s TYR 89 CO 0.00 -0.96 1.33 0.42 -1.11 0.00 0.00 175.55 175.23 2jsf s ILE 90 N 2.51 4.17 -0.09 2.71 1.01 0.71 -3.80 121.20 128.42 2jsf s ILE 90 Ca 0.10 1.41 -0.09 0.00 0.00 0.00 0.00 60.65 62.07 2jsf s ILE 90 Cb -0.13 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.39 2jsf s ILE 90 CO -0.30 -0.12 0.20 -0.63 0.00 0.00 0.00 174.94 174.09 2jsf s ILE 91 N 3.58 5.40 0.01 2.92 1.09 0.36 0.42 121.20 134.99 2jsf s ILE 91 Ca 0.58 0.34 0.06 0.00 -1.10 0.00 0.00 60.65 60.53 2jsf s ILE 91 Cb -0.24 -3.47 -0.02 0.00 -1.06 0.00 0.00 42.46 37.68 2jsf s ILE 91 CO 0.17 0.60 -0.18 -0.63 -0.10 0.00 0.00 174.94 174.80 2jsf s ILE 92 N -1.05 1.46 0.00 2.92 1.01 -0.59 -0.86 121.20 124.10 2jsf s ILE 92 Ca 0.17 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.89 2jsf s ILE 92 Cb -0.13 -1.24 0.00 0.00 0.01 0.00 0.00 42.46 41.10 2jsf s ILE 92 CO 0.06 0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.91 2jsf n GLY 93 N 2.30 -1.57 3.33 6.18 0.00 -0.60 0.28 105.19 115.11 2jsf n GLY 93 Ca -0.16 -1.40 -0.26 0.00 0.00 0.00 0.00 46.02 44.19 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 1.96 0.00 1.61 -7.23 -1.26 -4.35 120.40 111.13 2jsf s VAL 94 Ca 0.00 -1.63 0.00 0.00 -1.81 0.00 0.00 61.98 58.54 2jsf s VAL 94 Cb 0.00 -1.75 0.00 0.00 0.56 0.00 0.00 36.38 35.19 2jsf s VAL 94 CO 0.00 0.02 0.00 -0.62 -0.31 0.00 0.00 175.10 174.19 2jsf n GLU 95 N 1.03 0.00 -0.63 4.82 1.02 -1.26 0.25 120.64 125.87 2jsf n GLU 95 Ca -0.19 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.66 2jsf n GLU 95 Cb 0.53 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.87 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 -3.84 0.00 -0.32 3.49 -0.04 -1.26 -2.21 135.00 130.82 2jsf n PRO 96 Ca 0.00 -0.67 0.00 0.00 -0.04 0.00 0.00 63.50 62.79 2jsf n PRO 96 Cb 0.00 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 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 4.49 0.74 3.47 0.55 0.00 -1.15 -4.66 105.19 108.62 2jsf n GLY 97 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.15 -0.30 -2.92 1.61 7.27 0.14 -4.12 117.38 116.91 2jsf n GLN 98 Ca 0.00 -0.04 -0.20 0.00 0.07 0.00 0.00 57.00 56.83 2jsf n GLN 98 Cb 0.00 -1.96 0.07 0.00 2.41 0.00 0.00 30.24 30.76 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 -2.14 3.13 -0.25 1.69 1.43 0.81 -4.86 118.68 118.49 2jsf s LEU 99 Ca 0.59 -0.68 -0.13 0.00 -1.03 0.00 0.00 54.13 52.89 2jsf s LEU 99 Cb -0.22 -1.84 0.08 0.00 0.03 0.00 0.00 46.19 44.24 2jsf s LEU 99 CO 0.65 -1.41 0.59 -0.75 0.23 0.00 0.00 176.35 175.66 2jsf s LYS 100 N -4.75 0.58 -0.08 1.70 2.20 -1.26 -1.54 119.74 116.59 2jsf s LYS 100 Ca 0.62 1.11 0.01 0.00 -0.36 0.00 0.00 55.97 57.35 2jsf s LYS 100 Cb -0.06 0.18 0.02 0.00 -1.51 0.00 0.00 37.83 36.46 2jsf s LYS 100 CO 0.40 -0.16 -0.08 -0.51 -0.36 0.00 0.00 175.35 174.63 2jsf s LEU 101 N 1.76 1.32 -0.08 5.43 1.02 0.17 -4.91 118.68 123.39 2jsf s LEU 101 Ca -0.09 -0.26 -0.19 0.00 0.02 0.00 0.00 54.13 53.62 2jsf s LEU 101 Cb -0.07 -0.74 -0.05 0.00 0.02 0.00 0.00 46.19 45.35 2jsf s LEU 101 CO -0.17 -0.06 0.51 0.21 0.02 0.00 0.00 176.35 176.86 2jsf s ASN 102 N 1.24 6.79 -0.19 2.29 3.84 -1.26 0.26 114.94 127.90 2jsf s ASN 102 Ca -0.04 0.94 -0.02 0.00 0.21 0.00 0.00 52.86 53.94 2jsf s ASN 102 Cb -0.14 -2.31 -0.01 0.00 -0.55 0.00 0.00 41.25 38.24 2jsf s ASN 102 CO -0.03 0.05 -0.08 0.86 -2.79 0.00 0.00 177.10 175.11 2jsf s TRP 103 N 0.27 2.91 0.05 0.43 -0.00 -0.63 -4.88 118.94 117.08 2jsf s TRP 103 Ca 0.28 -0.93 0.08 0.00 -0.00 0.00 0.00 56.10 55.53 2jsf s TRP 103 Cb -0.16 -2.02 -0.03 0.00 -0.00 0.00 0.00 33.47 31.25 2jsf s TRP 103 CO 0.13 -0.48 -0.21 0.12 -0.00 0.00 0.00 176.95 176.50 2jsf s PHE 104 N 1.17 2.47 0.00 5.86 2.19 -1.26 0.25 117.98 128.66 2jsf s PHE 104 Ca 0.02 -0.31 0.00 0.00 0.33 0.00 0.00 56.93 56.97 2jsf s PHE 104 Cb -0.14 -1.42 0.00 0.00 -1.31 0.00 0.00 43.02 40.14 2jsf s PHE 104 CO -0.02 0.23 0.00 1.63 1.83 0.00 0.00 175.22 178.89 2jsf n LYS 105 N 1.53 0.00 -0.02 10.12 5.02 0.70 -4.70 118.16 130.82 2jsf n LYS 105 Ca -0.16 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.20 2jsf n LYS 105 Cb 0.52 0.00 -0.15 0.00 -0.02 0.00 0.00 35.03 35.38 2jsf n LYS 105 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2jsf n LYS 106 N 0.00 0.63 -3.37 1.97 4.76 -1.26 -0.56 118.16 120.33 2jsf n LYS 106 Ca 0.00 -0.16 -0.16 0.00 -2.87 0.00 0.00 58.31 55.12 2jsf n LYS 106 Cb 0.00 -1.45 0.09 0.00 -1.84 0.00 0.00 35.03 31.82 2jsf n LYS 106 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jsf n GLY 107 N 1.47 -0.46 0.00 0.72 0.00 -1.26 -4.96 105.19 100.70 2jsf n GLY 107 Ca -0.06 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2jsf n GLY 107 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jsf n SER 108 N -3.10 0.00 -3.23 1.61 3.41 -1.26 -4.88 113.62 106.17 2jsf n SER 108 Ca -0.25 0.60 -0.02 0.00 -0.26 0.00 0.00 58.87 58.94 2jsf n SER 108 Cb 0.66 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 2jsf n SER 108 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jsf s SER 109 N -2.03 -0.66 0.00 4.04 0.01 -1.26 -5.08 113.70 108.71 2jsf s SER 109 Ca 0.00 0.22 0.00 0.00 1.31 0.00 0.00 55.95 57.48 2jsf s SER 109 Cb 0.00 1.64 0.00 0.00 0.21 0.00 0.00 66.02 67.87 2jsf s SER 109 CO 0.00 -0.30 0.04 0.18 0.41 0.00 0.00 173.24 173.57 2jsf n LEU 110 N 5.39 2.76 -3.68 2.44 4.32 -1.26 -4.95 117.00 122.02 2jsf n LEU 110 Ca 0.01 0.04 -0.21 0.00 -0.02 0.00 0.00 56.01 55.83 2jsf n LEU 110 Cb 0.51 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.31 2jsf n LEU 110 CO -0.00 0.00 -0.15 -0.62 -1.22 0.00 0.00 177.39 175.40 2jsf n GLU 111 N -0.50 -1.48 0.13 3.23 1.02 -1.26 -4.87 120.64 116.90 2jsf n GLU 111 Ca 0.00 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 58.00 2jsf n GLU 111 Cb 0.00 -2.85 0.00 0.00 -0.02 0.00 0.00 31.44 28.57 2jsf n GLU 111 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2jsf n HIS 112 N -2.55 -2.57 -2.91 -0.32 -0.00 -1.26 -4.98 115.22 100.63 2jsf n HIS 112 Ca -0.27 0.59 -0.44 0.00 0.46 0.00 0.00 57.72 58.07 2jsf n HIS 112 Cb 0.66 1.31 0.00 0.00 -0.12 0.00 0.00 29.99 31.85 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 -3.22 4.36 -3.57 1.57 8.25 -1.26 -4.88 115.22 116.47 2jsf n HIS 113 Ca 0.00 -3.29 -0.29 0.00 -0.26 0.00 0.00 57.72 53.88 2jsf n HIS 113 Cb 0.00 -1.95 -0.13 0.00 1.12 0.00 0.00 29.99 29.03 2jsf n HIS 113 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2jsf s HIS 114 N 0.29 1.04 0.75 4.41 -0.00 -1.26 -5.13 115.29 115.39 2jsf s HIS 114 Ca 0.39 -1.66 -0.14 0.00 -0.00 0.00 0.00 55.06 53.65 2jsf s HIS 114 Cb -0.01 -1.23 0.05 0.00 -0.00 0.00 0.00 32.58 31.40 2jsf s HIS 114 CO -0.00 -0.83 1.18 -1.58 -0.00 0.00 0.00 174.74 173.51 2jsf s HIS 115 N 1.20 2.08 0.29 0.38 2.46 -1.26 -5.04 115.29 115.40 2jsf s HIS 115 Ca 0.15 1.62 0.03 0.00 0.47 0.00 0.00 55.06 57.34 2jsf s HIS 115 Cb -0.21 -3.39 -0.04 0.00 -0.13 0.00 0.00 32.58 28.81 2jsf s HIS 115 CO -0.10 -2.48 0.19 -1.01 -2.47 0.00 0.00 174.74 168.86 2jsf s HIS 116 N -2.18 1.56 0.00 3.88 3.76 -1.26 -5.24 115.29 115.80 2jsf s HIS 116 Ca 0.71 -1.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.17 2jsf s HIS 116 Cb -0.26 -0.76 0.00 0.00 1.11 0.00 0.00 32.58 32.67 2jsf s HIS 116 CO 0.47 -0.64 0.00 1.58 -0.85 0.00 0.00 174.74 175.30