#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 -2.07 0.00 6.12 9.92 -1.26 -4.99 116.55 124.27 2jsf n ASP 2 Ca 0.00 0.66 0.00 0.00 -0.53 0.00 0.00 54.79 54.92 2jsf n ASP 2 Cb 0.00 2.05 0.00 0.00 -0.64 0.00 0.00 41.12 42.53 2jsf n ASP 2 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2jsf n LYS 3 N -3.41 1.91 -2.31 -1.24 4.76 -1.26 -5.09 118.16 111.52 2jsf n LYS 3 Ca 0.00 0.00 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 2jsf n LYS 3 Cb 0.00 -0.99 -0.01 0.00 -1.84 0.00 0.00 35.03 32.19 2jsf n LYS 3 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2jsf n LEU 4 N -1.69 0.00 0.00 -0.35 -0.00 -1.26 -5.09 117.00 108.61 2jsf n LEU 4 Ca 0.00 -0.43 0.00 0.00 -0.00 0.00 0.00 56.01 55.58 2jsf n LEU 4 Cb 0.23 0.22 0.00 0.00 -0.00 0.00 0.00 43.42 43.87 2jsf n LEU 4 CO 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 177.39 177.32 2jsf n GLN 5 N -0.09 0.00 -2.96 1.47 10.64 -1.26 -2.88 117.38 122.30 2jsf n GLN 5 Ca 0.01 0.00 -0.01 0.00 -1.83 0.00 0.00 57.00 55.16 2jsf n GLN 5 Cb 0.08 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.45 2jsf n GLN 5 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2jsf n LEU 6 N 0.00 -5.09 -4.41 2.61 4.32 -1.26 -4.94 117.00 108.23 2jsf n LEU 6 Ca 0.00 1.22 -0.35 0.00 -0.02 0.00 0.00 56.01 56.87 2jsf n LEU 6 Cb 0.00 -2.10 -0.13 0.00 -1.62 0.00 0.00 43.42 39.57 2jsf n LEU 6 CO 0.00 -2.91 -0.35 -0.75 -1.22 0.00 0.00 177.39 172.16 2jsf s LYS 7 N -0.46 3.55 0.00 3.23 2.20 -1.26 -4.93 119.74 122.07 2jsf s LYS 7 Ca -0.07 -0.56 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 2jsf s LYS 7 Cb 0.00 -3.02 0.00 0.00 -1.51 0.00 0.00 37.83 33.30 2jsf s LYS 7 CO 0.25 -0.01 0.00 0.41 -0.36 0.00 0.00 175.35 175.64 2jsf n GLY 8 N 4.28 2.95 0.00 5.54 0.00 -1.26 -4.89 105.19 111.81 2jsf n GLY 8 Ca -0.17 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.86 0.90 -2.53 1.61 2.81 -1.26 -4.47 117.12 113.32 2jsf n MET 9 Ca 0.00 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2jsf n MET 9 Cb 0.00 -1.37 0.05 0.00 -0.71 0.00 0.00 33.22 31.19 2jsf n MET 9 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 2jsf n SER 10 N -1.48 1.00 -1.36 7.83 3.41 -1.26 -4.86 113.62 116.89 2jsf n SER 10 Ca 0.03 -2.04 -0.02 0.00 -0.26 0.00 0.00 58.87 56.58 2jsf n SER 10 Cb 0.30 -0.27 0.01 0.00 -0.26 0.00 0.00 64.21 63.99 2jsf n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jsf n TYR 11 N -0.52 -0.44 0.00 7.33 9.36 -1.26 -3.58 117.16 128.05 2jsf n TYR 11 Ca 0.02 -0.46 0.00 0.00 3.32 0.00 0.00 57.90 60.78 2jsf n TYR 11 Cb 0.87 0.67 0.00 0.00 -0.63 0.00 0.00 39.34 40.25 2jsf n TYR 11 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2jsf n SER 12 N -0.33 0.00 -3.08 2.98 2.88 -1.26 -4.42 113.62 110.40 2jsf n SER 12 Ca -0.09 0.00 -0.00 0.00 -1.33 0.00 0.00 58.87 57.44 2jsf n SER 12 Cb 0.55 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 64.00 2jsf n SER 12 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 2jsf s MET 13 N -1.00 0.84 -0.74 -1.46 1.75 -1.26 -4.67 119.30 112.75 2jsf s MET 13 Ca 0.00 -0.44 -0.25 0.00 -1.25 0.00 0.00 55.69 53.75 2jsf s MET 13 Cb 0.00 0.06 -0.16 0.00 2.84 0.00 0.00 34.83 37.57 2jsf s MET 13 CO 0.00 -1.17 2.46 0.00 -0.65 0.00 0.00 175.02 175.66 2jsf n THR 15 N 7.73 1.38 0.00 0.00 -2.24 -1.26 -4.62 114.28 115.26 2jsf n THR 15 Ca 0.50 0.42 0.00 0.00 -2.27 0.00 0.00 64.05 62.70 2jsf n THR 15 Cb 0.34 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 67.24 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 -0.78 -3.30 3.51 3.38 0.00 -1.24 -4.77 105.19 101.99 2jsf n GLY 16 Ca 0.01 -0.93 -0.25 0.00 0.00 0.00 0.00 46.02 44.86 2jsf n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jsf s LYS 17 N 0.00 1.84 -0.04 1.61 3.01 0.70 -4.42 119.74 122.44 2jsf s LYS 17 Ca 0.00 -2.09 0.02 0.00 -1.01 0.00 0.00 55.97 52.90 2jsf s LYS 17 Cb 0.00 -0.84 0.01 0.00 -1.01 0.00 0.00 37.83 35.99 2jsf s LYS 17 CO 0.00 -0.33 -0.10 -0.06 0.51 0.00 0.00 175.35 175.37 2jsf s PHE 18 N -3.20 1.10 -0.23 3.18 0.40 -1.24 0.26 117.98 118.25 2jsf s PHE 18 Ca 0.28 -0.32 -0.06 0.00 -0.60 0.00 0.00 56.93 56.23 2jsf s PHE 18 Cb 0.05 -0.80 -0.02 0.00 0.51 0.00 0.00 43.02 42.76 2jsf s PHE 18 CO 0.14 -0.16 0.03 0.21 0.70 0.00 0.00 175.22 176.14 2jsf s LYS 19 N 0.39 3.59 0.21 0.44 2.20 0.07 -4.59 119.74 122.05 2jsf s LYS 19 Ca -0.07 -0.52 -0.32 0.00 -0.36 0.00 0.00 55.97 54.70 2jsf s LYS 19 Cb -0.11 -3.18 -0.12 0.00 -1.51 0.00 0.00 37.83 32.90 2jsf s LYS 19 CO 0.01 -0.12 1.71 0.28 -0.36 0.00 0.00 175.35 176.87 2jsf n VAL 20 N 4.66 0.08 -0.05 4.02 0.31 -1.26 0.11 118.33 126.19 2jsf n VAL 20 Ca -0.17 -0.02 -0.03 0.00 -0.01 0.00 0.00 64.34 64.12 2jsf n VAL 20 Cb 0.51 -1.97 -0.12 0.00 -0.91 0.00 0.00 33.84 31.36 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 3.81 0.71 -3.67 2.52 0.31 0.51 -4.78 118.33 117.74 2jsf n VAL 21 Ca 0.15 -0.55 -0.10 0.00 -0.01 0.00 0.00 64.34 63.83 2jsf n VAL 21 Cb 0.35 -0.37 -0.09 0.00 -0.91 0.00 0.00 33.84 32.82 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 -2.60 0.61 0.81 5.55 2.20 0.28 -4.93 119.74 121.65 2jsf s LYS 22 Ca -0.07 0.97 -0.15 0.00 -0.36 0.00 0.00 55.97 56.36 2jsf s LYS 22 Cb 0.06 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.53 2jsf s LYS 22 CO 0.63 -0.13 0.53 -1.91 -0.36 0.00 0.00 175.35 174.11 2jsf n GLU 23 N 3.83 0.11 -1.62 4.03 2.13 -1.26 -2.74 120.64 125.12 2jsf n GLU 23 Ca -0.19 0.08 -0.48 0.00 0.66 0.00 0.00 57.16 57.23 2jsf n GLU 23 Cb 0.57 -1.88 -0.04 0.00 0.27 0.00 0.00 31.44 30.36 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 -2.84 0.50 -3.60 6.31 2.08 -1.25 -4.55 119.36 116.01 2jsf n ILE 24 Ca 0.09 -0.13 -0.21 0.00 0.56 0.00 0.00 62.75 63.06 2jsf n ILE 24 Cb 0.51 -1.10 -0.03 0.00 -0.75 0.00 0.00 39.64 38.27 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 0.22 4.07 -0.11 -1.39 0.00 0.76 -4.75 121.76 120.56 2jsf s ALA 25 Ca 0.76 -1.87 0.02 0.00 0.00 0.00 0.00 51.96 50.86 2jsf s ALA 25 Cb -0.80 -0.98 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 2jsf s ALA 25 CO 0.48 -0.25 -0.17 -1.83 0.00 0.00 0.00 175.76 173.99 2jsf s GLU 26 N -4.14 3.20 0.70 0.00 1.03 -1.26 0.27 118.70 118.51 2jsf s GLU 26 Ca 0.47 -0.76 -0.04 0.00 0.03 0.00 0.00 54.97 54.68 2jsf s GLU 26 Cb -0.03 -2.49 0.10 0.00 -0.80 0.00 0.00 34.13 30.91 2jsf s GLU 26 CO 0.27 0.22 0.98 0.95 -1.33 0.00 0.00 175.26 176.36 2jsf s THR 27 N 0.28 2.28 -0.22 1.83 -4.23 -0.18 -4.88 115.64 110.52 2jsf s THR 27 Ca -0.13 -0.46 0.02 0.00 -1.18 0.00 0.00 61.69 59.94 2jsf s THR 27 Cb -0.16 -2.82 0.28 0.00 1.34 0.00 0.00 72.50 71.13 2jsf s THR 27 CO 0.07 0.00 1.34 0.00 -0.54 0.00 0.00 174.62 175.49 2jsf n GLN 28 N -2.85 1.59 0.00 3.99 1.13 -1.26 -3.64 117.38 116.35 2jsf n GLN 28 Ca 0.12 -1.22 0.00 0.00 -1.94 0.00 0.00 57.00 53.96 2jsf n GLN 28 Cb 0.60 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.45 2jsf n GLN 28 CO 0.00 0.00 0.00 0.72 -1.44 0.00 0.00 177.06 176.34 2jsf n HIS 29 N -0.13 0.00 -0.08 1.08 8.25 -1.26 -4.97 115.22 118.10 2jsf n HIS 29 Ca 0.23 -0.12 0.00 0.00 -0.26 0.00 0.00 57.72 57.57 2jsf n HIS 29 Cb 0.95 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.05 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 -0.12 0.50 3.26 -1.41 0.00 -1.24 -5.07 105.19 101.11 2jsf n GLY 30 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.09 2.61 -2.24 -1.26 -4.17 114.28 103.13 2jsf n THR 31 Ca 0.00 -1.32 -0.08 0.00 -2.27 0.00 0.00 64.05 60.38 2jsf n THR 31 Cb 0.00 -0.97 -0.10 0.00 -2.10 0.00 0.00 70.33 67.16 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 -2.55 0.29 -0.10 2.28 -4.36 0.54 -1.01 121.20 116.30 2jsf s ILE 32 Ca 0.56 -1.70 0.03 0.00 -0.26 0.00 0.00 60.65 59.28 2jsf s ILE 32 Cb -0.03 -1.36 0.01 0.00 1.25 0.00 0.00 42.46 42.32 2jsf s ILE 32 CO 0.37 -0.90 -0.19 -0.69 0.24 0.00 0.00 174.94 173.77 2jsf s VAL 33 N -3.49 1.73 -0.24 8.37 1.01 0.76 -1.22 120.40 127.32 2jsf s VAL 33 Ca 0.04 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.17 2jsf s VAL 33 Cb 0.05 -1.53 -0.00 0.00 0.00 0.00 0.00 36.38 34.89 2jsf s VAL 33 CO -0.08 0.49 -0.01 -0.51 0.00 0.00 0.00 175.10 174.99 2jsf s ILE 34 N 0.63 3.49 -0.32 2.22 -1.16 0.07 0.27 121.20 126.41 2jsf s ILE 34 Ca -0.13 -0.57 -0.10 0.00 -0.51 0.00 0.00 60.65 59.34 2jsf s ILE 34 Cb -0.16 -2.65 0.00 0.00 0.61 0.00 0.00 42.46 40.25 2jsf s ILE 34 CO 0.04 0.33 0.15 -0.60 -2.81 0.00 0.00 174.94 172.05 2jsf s ARG 35 N 1.47 3.23 0.00 3.50 3.52 -1.11 0.16 118.95 129.73 2jsf s ARG 35 Ca 0.05 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.85 2jsf s ARG 35 Cb -0.15 -3.57 0.00 0.00 -1.56 0.00 0.00 34.95 29.66 2jsf s ARG 35 CO -0.02 -0.47 0.00 1.33 -0.81 0.00 0.00 175.30 175.34 2jsf n VAL 36 N 4.97 0.00 -3.99 7.11 0.24 0.16 0.19 118.33 127.01 2jsf n VAL 36 Ca -0.14 0.00 -0.21 0.00 -2.04 0.00 0.00 64.34 61.96 2jsf n VAL 36 Cb 0.48 0.00 -0.17 0.00 -1.47 0.00 0.00 33.84 32.69 2jsf n VAL 36 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 2jsf s GLN 37 N -1.54 0.69 0.15 7.34 0.74 0.29 0.11 119.66 127.45 2jsf s GLN 37 Ca 0.00 -0.01 -0.31 0.00 0.05 0.00 0.00 55.36 55.08 2jsf s GLN 37 Cb 0.00 -0.85 -0.11 0.00 1.10 0.00 0.00 33.01 33.16 2jsf s GLN 37 CO 0.00 -0.17 1.76 -0.47 -0.55 0.00 0.00 175.29 175.86 2jsf s TYR 38 N 1.30 2.51 -0.48 1.67 5.04 -1.26 -0.75 117.35 125.38 2jsf s TYR 38 Ca -0.05 0.19 0.03 0.00 -2.44 0.00 0.00 57.07 54.80 2jsf s TYR 38 Cb -0.13 -4.13 0.13 0.00 0.35 0.00 0.00 41.96 38.18 2jsf s TYR 38 CO -0.02 -4.47 0.25 -1.21 -1.34 0.00 0.00 175.55 168.76 2jsf s GLU 39 N 2.04 1.62 0.00 4.97 2.02 0.74 -4.04 118.70 126.05 2jsf s GLU 39 Ca 0.77 -2.31 0.00 0.00 0.02 0.00 0.00 54.97 53.45 2jsf s GLU 39 Cb -0.47 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 30.98 2jsf s GLU 39 CO 0.34 -1.14 0.00 0.41 0.02 0.00 0.00 175.26 174.89 2jsf n GLY 40 N 3.31 -0.52 3.40 -1.39 0.00 -1.26 0.25 105.19 108.97 2jsf n GLY 40 Ca 0.07 -0.77 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 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 5.04 0.00 1.61 -1.08 -1.26 -4.75 116.67 112.23 2jsf s ASP 41 Ca 0.00 -0.40 0.00 0.00 -0.52 0.00 0.00 52.55 51.63 2jsf s ASP 41 Cb 0.00 -1.89 0.00 0.00 -1.46 0.00 0.00 42.92 39.57 2jsf s ASP 41 CO 0.00 -0.09 0.00 0.61 0.52 0.00 0.00 175.17 176.21 2jsf n GLY 42 N 4.89 0.05 7.00 2.66 0.00 -1.26 -3.68 105.19 114.85 2jsf n GLY 42 Ca -0.16 -0.03 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 -0.53 -1.52 -4.51 1.61 2.88 -1.26 -4.03 113.62 106.26 2jsf n SER 43 Ca 0.00 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.27 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 0.19 -3.93 -1.46 -0.02 -1.24 -4.46 135.00 124.08 2jsf n PRO 44 Ca 0.00 -0.14 -0.10 0.00 -2.02 0.00 0.00 63.50 61.24 2jsf n PRO 44 Cb 0.00 -1.82 -0.02 0.00 -0.02 0.00 0.00 33.50 31.64 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 -3.10 1.22 -0.12 0.00 1.02 -1.26 0.01 119.74 117.52 2jsf s LYS 46 Ca 0.21 -0.36 0.03 0.00 0.02 0.00 0.00 55.97 55.86 2jsf s LYS 46 Cb -0.03 -1.96 0.00 0.00 -0.52 0.00 0.00 37.83 35.32 2jsf s LYS 46 CO 0.13 -2.00 -0.23 0.42 -0.92 0.00 0.00 175.35 172.75 2jsf s ILE 47 N -3.66 2.06 0.49 2.17 -1.09 0.55 -1.54 121.20 120.17 2jsf s ILE 47 Ca 0.69 -1.00 -0.23 0.00 -2.23 0.00 0.00 60.65 57.87 2jsf s ILE 47 Cb -0.06 -1.79 -0.07 0.00 -1.58 0.00 0.00 42.46 38.96 2jsf s ILE 47 CO 0.50 0.56 1.33 -2.84 -1.23 0.00 0.00 174.94 173.26 2jsf s PRO 48 N 0.53 3.48 0.16 2.79 0.02 -1.26 -3.70 135.00 137.03 2jsf s PRO 48 Ca -0.14 2.18 -0.16 0.00 0.02 0.00 0.00 61.00 62.89 2jsf s PRO 48 Cb -0.17 -2.44 0.03 0.00 0.02 0.00 0.00 34.50 31.94 2jsf s PRO 48 CO 0.05 -0.90 0.45 0.12 -0.33 0.00 0.00 177.00 176.39 2jsf s PHE 49 N -1.32 -0.12 -0.30 6.54 2.19 -1.26 -1.52 117.98 122.19 2jsf s PHE 49 Ca 0.66 -0.21 -0.15 0.00 0.33 0.00 0.00 56.93 57.55 2jsf s PHE 49 Cb -0.39 0.29 0.18 0.00 -1.31 0.00 0.00 43.02 41.80 2jsf s PHE 49 CO 0.47 -0.80 1.17 -2.00 1.83 0.00 0.00 175.22 175.89 2jsf s GLU 50 N -3.85 0.02 0.00 10.12 2.56 -0.30 -4.91 118.70 122.35 2jsf s GLU 50 Ca 0.07 0.02 0.11 0.00 0.00 0.00 0.00 54.97 55.17 2jsf s GLU 50 Cb 0.01 0.01 0.68 0.00 2.00 0.00 0.00 34.13 36.82 2jsf s GLU 50 CO -0.07 -0.04 1.36 -0.89 -0.56 0.00 0.00 175.26 175.05 2jsf n ILE 51 N 4.70 0.00 0.08 -3.70 5.41 -1.26 -0.60 119.36 123.99 2jsf n ILE 51 Ca 0.09 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.84 2jsf n ILE 51 Cb 0.60 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 39.28 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 -0.70 0.00 -1.33 0.38 2.81 -1.26 -4.08 117.12 112.94 2jsf n MET 52 Ca 0.09 0.00 -0.10 0.00 -1.81 0.00 0.00 57.70 55.88 2jsf n MET 52 Cb 0.04 0.00 -0.04 0.00 -0.71 0.00 0.00 33.22 32.51 2jsf n MET 52 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2jsf n ASP 53 N -3.02 -4.11 0.00 7.83 2.03 -1.26 -2.51 116.55 115.52 2jsf n ASP 53 Ca 0.00 0.22 0.00 0.00 0.52 0.00 0.00 54.79 55.53 2jsf n ASP 53 Cb 0.00 -2.51 0.00 0.00 -0.72 0.00 0.00 41.12 37.89 2jsf n ASP 53 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2jsf n LEU 54 N -1.11 0.39 -0.83 -2.67 7.94 -1.26 -4.78 117.00 114.69 2jsf n LEU 54 Ca -0.10 0.00 0.12 0.00 -1.11 0.00 0.00 56.01 54.93 2jsf n LEU 54 Cb 0.33 -0.60 0.16 0.00 0.53 0.00 0.00 43.42 43.84 2jsf n LEU 54 CO 0.15 -0.20 0.63 -0.62 -1.11 0.00 0.00 177.39 176.24 2jsf n GLU 55 N -2.00 2.08 -2.75 1.96 1.02 -1.04 -4.47 120.64 115.44 2jsf n GLU 55 Ca 0.00 -1.66 -0.33 0.00 -0.02 0.00 0.00 57.16 55.15 2jsf n GLU 55 Cb 0.00 -1.47 -0.01 0.00 -0.02 0.00 0.00 31.44 29.94 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 0.99 4.12 -1.57 3.49 4.76 -1.24 -5.00 118.16 123.70 2jsf n LYS 56 Ca 0.14 -4.71 -0.29 0.00 -2.87 0.00 0.00 58.31 50.59 2jsf n LYS 56 Cb 0.54 -2.33 -0.04 0.00 -1.84 0.00 0.00 35.03 31.36 2jsf n LYS 56 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2jsf s ARG 57 N -3.85 1.94 0.00 1.97 0.52 -1.26 -3.54 118.95 114.72 2jsf s ARG 57 Ca 0.45 1.08 0.00 0.00 -0.52 0.00 0.00 55.73 56.74 2jsf s ARG 57 Cb 0.26 -4.65 0.00 0.00 0.52 0.00 0.00 34.95 31.08 2jsf s ARG 57 CO -0.15 -3.67 0.00 1.58 0.02 0.00 0.00 175.30 173.08 2jsf n HIS 58 N 16.80 0.00 -2.56 -0.53 -0.00 -1.26 -5.15 115.22 122.52 2jsf n HIS 58 Ca 0.40 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.58 2jsf n HIS 58 Cb 0.51 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.38 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 -3.52 3.57 0.24 -1.23 -5.11 118.33 112.28 2jsf n VAL 59 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.29 2jsf n VAL 59 Cb 0.00 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.33 2jsf n VAL 59 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2jsf s LEU 60 N 0.00 -1.14 0.92 1.34 1.43 -1.26 -5.02 118.68 114.94 2jsf s LEU 60 Ca 0.00 1.31 -0.12 0.00 -1.03 0.00 0.00 54.13 54.29 2jsf s LEU 60 Cb 0.00 2.14 0.20 0.00 0.03 0.00 0.00 46.19 48.55 2jsf s LEU 60 CO 0.00 -0.23 1.25 -0.83 0.23 0.00 0.00 176.35 176.77 2jsf s GLY 61 N 2.85 1.80 0.20 -3.19 0.00 -1.26 -4.38 107.32 103.33 2jsf s GLY 61 Ca 0.01 -1.46 -0.00 0.00 0.00 0.00 0.00 44.72 43.27 2jsf s GLY 61 CO -0.19 -0.70 0.09 -1.60 0.00 0.00 0.00 173.10 170.70 2jsf s ARG 62 N -5.72 1.19 -0.14 2.90 3.00 0.58 -4.92 118.95 115.84 2jsf s ARG 62 Ca 0.74 -1.62 0.01 0.00 -1.00 0.00 0.00 55.73 53.86 2jsf s ARG 62 Cb -0.03 0.04 0.02 0.00 0.00 0.00 0.00 34.95 34.98 2jsf s ARG 62 CO 0.51 -0.30 -0.18 -1.17 0.00 0.00 0.00 175.30 174.16 2jsf s LEU 63 N -3.18 1.90 0.03 -0.88 1.98 -1.26 0.20 118.68 117.46 2jsf s LEU 63 Ca 0.34 -0.54 0.08 0.00 -2.89 0.00 0.00 54.13 51.12 2jsf s LEU 63 Cb 0.07 -1.29 -0.23 0.00 0.66 0.00 0.00 46.19 45.41 2jsf s LEU 63 CO 0.09 0.01 0.94 0.40 -1.89 0.00 0.00 176.35 175.90 2jsf h ILE 64 N 5.95 1.24 -1.16 6.68 5.03 0.16 -3.26 117.51 132.14 2jsf h ILE 64 Ca -0.36 -3.01 -0.65 0.00 -0.12 0.00 0.00 64.86 60.71 2jsf h ILE 64 Cb 1.16 2.64 -0.34 0.00 -3.03 0.00 0.00 36.82 37.25 2jsf h ILE 64 CO 0.55 0.73 0.26 0.41 -0.68 0.00 0.00 178.15 179.42 2jsf n THR 65 N -3.22 3.19 -0.87 -0.27 -1.04 -0.01 -4.95 114.28 107.11 2jsf n THR 65 Ca -0.10 -3.75 -0.34 0.00 -2.04 0.00 0.00 64.05 57.82 2jsf n THR 65 Cb 1.00 -1.18 -0.05 0.00 -1.82 0.00 0.00 70.33 68.28 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 -3.64 12.58 0.31 -1.23 -1.36 118.33 124.24 2jsf n VAL 66 Ca 0.53 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.63 2jsf n VAL 66 Cb 0.67 -0.22 0.01 0.00 -0.91 0.00 0.00 33.84 33.38 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 1.86 -5.36 -3.06 4.52 5.15 -1.26 -4.91 115.26 112.20 2jsf n ASN 67 Ca 0.15 -0.70 -0.05 0.00 -0.60 0.00 0.00 54.58 53.39 2jsf n ASN 67 Cb -0.02 -2.17 0.04 0.00 -0.53 0.00 0.00 39.78 37.10 2jsf n ASN 67 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2jsf n PRO 68 N -2.07 -1.64 -3.88 1.20 -0.04 -0.46 -3.88 135.00 124.22 2jsf n PRO 68 Ca -0.24 -0.22 -0.11 0.00 -0.04 0.00 0.00 63.50 62.89 2jsf n PRO 68 Cb 0.67 -0.32 -0.11 0.00 -0.04 0.00 0.00 33.50 33.70 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 -1.04 0.07 0.33 0.52 1.01 -1.26 0.20 121.20 121.04 2jsf s ILE 69 Ca 0.10 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.23 2jsf s ILE 69 Cb -0.02 -0.35 -0.02 0.00 0.01 0.00 0.00 42.46 42.08 2jsf s ILE 69 CO 0.08 -0.33 0.32 -0.69 0.00 0.00 0.00 174.94 174.33 2jsf s VAL 70 N -1.12 3.73 -0.00 2.92 1.01 0.10 -4.91 120.40 122.13 2jsf s VAL 70 Ca -0.12 -1.29 0.01 0.00 0.00 0.00 0.00 61.98 60.58 2jsf s VAL 70 Cb -0.07 -3.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.04 2jsf s VAL 70 CO 0.01 -0.18 0.03 0.41 0.00 0.00 0.00 175.10 175.36 2jsf n THR 71 N -1.42 0.00 -1.88 3.92 -1.04 -1.26 -2.35 114.28 110.25 2jsf n THR 71 Ca -0.02 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 2jsf n THR 71 Cb 0.59 0.50 0.00 0.00 -1.82 0.00 0.00 70.33 69.61 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 -1.51 0.00 -0.27 -2.82 1.02 -1.26 -3.59 120.64 112.21 2jsf n GLU 72 Ca -0.00 -0.93 0.00 0.00 -0.02 0.00 0.00 57.16 56.21 2jsf n GLU 72 Cb 0.03 -0.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.96 2jsf n GLU 72 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2jsf n LYS 73 N 0.00 0.00 0.00 3.49 4.81 -1.26 -4.56 118.16 120.64 2jsf n LYS 73 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2jsf n LYS 73 Cb 0.67 -2.69 0.00 0.00 0.02 0.00 0.00 35.03 33.03 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 0.08 -4.61 3.14 2.03 -1.26 -4.09 116.55 111.84 2jsf n ASP 74 Ca 0.00 -0.79 -0.43 0.00 0.52 0.00 0.00 54.79 54.09 2jsf n ASP 74 Cb 0.00 0.02 -0.02 0.00 -0.72 0.00 0.00 41.12 40.40 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 6.35 0.02 1.67 0.15 -1.26 -4.63 113.70 115.97 2jsf s SER 75 Ca 0.00 1.20 -0.37 0.00 0.70 0.00 0.00 55.95 57.47 2jsf s SER 75 Cb 0.00 -2.54 -0.17 0.00 -1.71 0.00 0.00 66.02 61.61 2jsf s SER 75 CO 0.00 -1.35 1.40 -2.65 1.20 0.00 0.00 173.24 171.84 2jsf n PRO 76 N 7.85 1.10 -4.79 5.44 -0.02 -1.26 -4.37 135.00 138.96 2jsf n PRO 76 Ca 0.18 0.40 -0.32 0.00 -2.02 0.00 0.00 63.50 61.74 2jsf n PRO 76 Cb 0.47 -2.04 -0.13 0.00 -0.02 0.00 0.00 33.50 31.78 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 1.02 2.95 -0.15 -1.45 1.01 0.30 -4.84 120.40 119.25 2jsf s VAL 77 Ca 0.87 -0.92 -0.05 0.00 0.00 0.00 0.00 61.98 61.87 2jsf s VAL 77 Cb -0.99 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 2jsf s VAL 77 CO 0.51 0.48 0.04 0.20 0.00 0.00 0.00 175.10 176.32 2jsf s ASN 78 N -1.05 5.47 -0.20 3.32 -0.87 -1.24 0.38 114.94 120.76 2jsf s ASN 78 Ca 0.13 0.10 -0.01 0.00 -1.57 0.00 0.00 52.86 51.52 2jsf s ASN 78 Cb -0.11 -1.82 0.01 0.00 -0.02 0.00 0.00 41.25 39.31 2jsf s ASN 78 CO 0.03 0.25 -0.15 -0.63 -2.57 0.00 0.00 177.10 174.03 2jsf s ILE 79 N -0.08 2.49 -0.33 0.60 1.01 0.42 -4.78 121.20 120.52 2jsf s ILE 79 Ca 0.06 -0.82 -0.19 0.00 0.00 0.00 0.00 60.65 59.69 2jsf s ILE 79 Cb -0.12 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 2jsf s ILE 79 CO 0.01 0.48 0.58 -0.70 0.00 0.00 0.00 174.94 175.32 2jsf s GLU 80 N 1.35 3.75 0.08 2.79 2.56 -1.25 -0.75 118.70 127.23 2jsf s GLU 80 Ca 0.05 0.06 0.04 0.00 0.00 0.00 0.00 54.97 55.13 2jsf s GLU 80 Cb -0.14 -3.77 -0.03 0.00 2.00 0.00 0.00 34.13 32.19 2jsf s GLU 80 CO -0.10 -0.63 -0.12 0.00 -0.56 0.00 0.00 175.26 173.85 2jsf s ALA 81 N 2.54 1.11 -0.49 6.30 0.00 -0.36 0.18 121.76 131.03 2jsf s ALA 81 Ca 0.22 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 50.99 2jsf s ALA 81 Cb -0.15 -0.05 0.10 0.00 0.00 0.00 0.00 23.12 23.02 2jsf s ALA 81 CO 0.13 0.09 0.42 -2.00 0.00 0.00 0.00 175.76 174.40 2jsf s GLU 82 N -2.05 2.94 0.41 0.00 2.12 0.53 -0.34 118.70 122.31 2jsf s GLU 82 Ca -0.00 -1.51 -0.24 0.00 0.36 0.00 0.00 54.97 53.58 2jsf s GLU 82 Cb -0.08 -4.16 -0.09 0.00 0.26 0.00 0.00 34.13 30.07 2jsf s GLU 82 CO 0.02 -1.14 1.09 -1.25 -0.54 0.00 0.00 175.26 173.43 2jsf s PRO 83 N 1.60 4.07 0.00 4.30 0.04 -1.26 0.21 135.00 143.97 2jsf s PRO 83 Ca 0.04 1.60 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2jsf s PRO 83 Cb -0.26 -2.53 0.00 0.00 0.04 0.00 0.00 34.50 31.75 2jsf s PRO 83 CO 0.05 -0.24 0.00 -0.35 0.04 0.00 0.00 177.00 176.49 2jsf n PRO 84 N -0.14 0.98 -3.78 0.56 -0.04 -1.26 -4.87 135.00 126.44 2jsf n PRO 84 Ca 0.05 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.20 2jsf n PRO 84 Cb 0.49 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.90 2jsf n PRO 84 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2jsf s PHE 85 N -0.02 3.51 0.00 0.54 0.40 -1.26 -4.86 117.98 116.29 2jsf s PHE 85 Ca 0.00 0.44 0.00 0.00 -0.60 0.00 0.00 56.93 56.77 2jsf s PHE 85 Cb 0.00 -1.91 0.00 0.00 0.51 0.00 0.00 43.02 41.62 2jsf s PHE 85 CO 0.00 0.52 0.00 0.41 0.70 0.00 0.00 175.22 176.85 2jsf n GLY 86 N 0.31 -1.78 3.74 4.36 0.00 0.13 -4.90 105.19 107.05 2jsf n GLY 86 Ca -0.05 -1.85 -0.41 0.00 0.00 0.00 0.00 46.02 43.71 2jsf n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jsf s ASP 87 N -4.00 7.57 0.02 1.61 1.01 -1.25 0.25 116.67 121.88 2jsf s ASP 87 Ca 0.00 1.88 -0.02 0.00 0.71 0.00 0.00 52.55 55.11 2jsf s ASP 87 Cb 0.00 -2.60 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 2jsf s ASP 87 CO 0.00 0.04 0.02 -0.44 0.21 0.00 0.00 175.17 175.00 2jsf s SER 88 N -0.57 0.20 -0.23 0.27 0.01 -0.55 -4.86 113.70 107.96 2jsf s SER 88 Ca 0.44 -0.46 -0.01 0.00 1.31 0.00 0.00 55.95 57.24 2jsf s SER 88 Cb -0.25 0.14 0.07 0.00 0.21 0.00 0.00 66.02 66.19 2jsf s SER 88 CO 0.31 -0.35 0.00 -0.31 0.41 0.00 0.00 173.24 173.31 2jsf s TYR 89 N -1.65 1.80 -0.11 2.43 1.51 -1.26 0.13 117.35 120.20 2jsf s TYR 89 Ca -0.14 -1.43 -0.30 0.00 -1.01 0.00 0.00 57.07 54.20 2jsf s TYR 89 Cb -0.08 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.34 2jsf s TYR 89 CO -0.01 -0.73 1.28 0.42 -1.11 0.00 0.00 175.55 175.41 2jsf s ILE 90 N 1.60 4.17 -0.01 2.71 1.09 0.37 -4.23 121.20 126.90 2jsf s ILE 90 Ca -0.02 1.46 -0.02 0.00 -1.10 0.00 0.00 60.65 60.97 2jsf s ILE 90 Cb -0.18 -3.94 -0.04 0.00 -1.06 0.00 0.00 42.46 37.24 2jsf s ILE 90 CO -0.09 -0.08 0.16 -0.63 -0.10 0.00 0.00 174.94 174.19 2jsf s ILE 91 N 3.08 5.27 0.03 2.92 1.01 0.23 -0.52 121.20 133.21 2jsf s ILE 91 Ca 0.57 -0.21 0.04 0.00 0.00 0.00 0.00 60.65 61.04 2jsf s ILE 91 Cb -0.24 -3.45 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 2jsf s ILE 91 CO 0.19 0.34 -0.11 -0.63 0.00 0.00 0.00 174.94 174.72 2jsf s ILE 92 N -1.29 0.84 0.00 2.92 1.01 -0.64 -1.15 121.20 122.89 2jsf s ILE 92 Ca 0.26 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 60.00 2jsf s ILE 92 Cb -0.12 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.56 2jsf s ILE 92 CO 0.17 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.63 2jsf n GLY 93 N 1.92 -1.42 3.23 6.18 0.00 -0.57 0.29 105.19 114.81 2jsf n GLY 93 Ca -0.19 -1.29 -0.27 0.00 0.00 0.00 0.00 46.02 44.27 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 1.64 0.00 1.61 -7.23 -1.26 -4.37 120.40 110.79 2jsf s VAL 94 Ca 0.00 -0.95 0.00 0.00 -1.81 0.00 0.00 61.98 59.22 2jsf s VAL 94 Cb 0.00 -1.37 0.00 0.00 0.56 0.00 0.00 36.38 35.57 2jsf s VAL 94 CO 0.00 0.41 0.00 -0.62 -0.31 0.00 0.00 175.10 174.58 2jsf n GLU 95 N 2.42 0.00 -0.38 4.82 1.02 -1.26 0.14 120.64 127.40 2jsf n GLU 95 Ca -0.16 0.00 0.30 0.00 -0.02 0.00 0.00 57.16 57.28 2jsf n GLU 95 Cb 0.53 0.00 0.48 0.00 -0.02 0.00 0.00 31.44 32.42 2jsf n GLU 95 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 2jsf n PRO 96 N -3.32 -0.01 -1.29 3.49 -0.02 -1.26 -2.78 135.00 129.81 2jsf n PRO 96 Ca 0.00 0.72 -0.01 0.00 -2.02 0.00 0.00 63.50 62.19 2jsf n PRO 96 Cb 0.00 -1.55 0.01 0.00 -0.02 0.00 0.00 33.50 31.94 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 -1.47 -0.32 3.75 -1.23 0.00 0.37 -5.10 105.19 101.20 2jsf n GLY 97 Ca 0.27 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 2jsf n GLY 97 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2jsf s GLN 98 N 0.02 1.58 0.54 1.61 -2.07 0.77 -3.68 119.66 118.43 2jsf s GLN 98 Ca 0.01 0.78 0.09 0.00 -1.82 0.00 0.00 55.36 54.42 2jsf s GLN 98 Cb 0.06 -1.85 0.07 0.00 -1.09 0.00 0.00 33.01 30.20 2jsf s GLN 98 CO -0.02 -2.01 0.71 -0.51 -1.32 0.00 0.00 175.29 172.15 2jsf s LEU 99 N -6.06 3.17 -0.21 2.60 1.43 0.83 -4.85 118.68 115.59 2jsf s LEU 99 Ca 0.62 -0.81 -0.16 0.00 -1.03 0.00 0.00 54.13 52.76 2jsf s LEU 99 Cb -0.17 -1.77 0.06 0.00 0.03 0.00 0.00 46.19 44.34 2jsf s LEU 99 CO 0.56 -1.21 0.53 -0.54 0.23 0.00 0.00 176.35 175.92 2jsf s LYS 100 N -4.57 0.58 -0.06 1.70 1.02 -1.26 -1.62 119.74 115.53 2jsf s LYS 100 Ca 0.58 0.84 -0.02 0.00 0.02 0.00 0.00 55.97 57.39 2jsf s LYS 100 Cb -0.06 0.19 0.04 0.00 -0.52 0.00 0.00 37.83 37.48 2jsf s LYS 100 CO 0.36 -0.11 0.11 -0.51 -0.92 0.00 0.00 175.35 174.29 2jsf s LEU 101 N 0.82 0.26 -0.04 3.17 1.02 0.32 -4.93 118.68 119.29 2jsf s LEU 101 Ca -0.04 0.22 -0.24 0.00 0.02 0.00 0.00 54.13 54.09 2jsf s LEU 101 Cb -0.05 0.13 -0.04 0.00 0.02 0.00 0.00 46.19 46.25 2jsf s LEU 101 CO -0.06 -0.22 0.72 0.54 0.02 0.00 0.00 176.35 177.35 2jsf s ASN 102 N 1.93 7.05 0.20 2.29 4.22 -1.26 0.14 114.94 129.51 2jsf s ASN 102 Ca 0.00 1.27 -0.02 0.00 -2.14 0.00 0.00 52.86 51.96 2jsf s ASN 102 Cb -0.12 -2.43 -0.04 0.00 1.28 0.00 0.00 41.25 39.95 2jsf s ASN 102 CO -0.05 -0.08 0.17 0.86 -2.04 0.00 0.00 177.10 175.96 2jsf s TRP 103 N 0.56 1.04 0.00 1.54 -0.11 0.35 -4.94 118.94 117.38 2jsf s TRP 103 Ca 0.38 -1.29 0.00 0.00 1.22 0.00 0.00 56.10 56.41 2jsf s TRP 103 Cb -0.18 -0.46 0.00 0.00 -1.50 0.00 0.00 33.47 31.32 2jsf s TRP 103 CO 0.20 -0.68 0.00 0.34 -4.62 0.00 0.00 176.95 172.19 2jsf n PHE 104 N -0.27 -1.13 -1.46 5.86 7.35 -1.26 -1.48 117.46 125.06 2jsf n PHE 104 Ca 0.01 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.70 2jsf n PHE 104 Cb 0.65 0.19 0.00 0.00 0.35 0.00 0.00 39.48 40.67 2jsf n PHE 104 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2jsf n LYS 105 N -0.51 -2.70 0.18 -4.13 4.76 0.70 -4.60 118.16 111.86 2jsf n LYS 105 Ca 0.00 0.00 0.13 0.00 -2.87 0.00 0.00 58.31 55.57 2jsf n LYS 105 Cb 0.00 0.00 0.68 0.00 -1.84 0.00 0.00 35.03 33.87 2jsf n LYS 105 CO 0.00 0.00 0.00 0.87 -1.37 0.00 0.00 177.40 176.90 2jsf h LYS 106 N 0.00 0.00 0.00 1.97 1.57 -1.92 0.36 116.57 118.56 2jsf h LYS 106 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jsf h LYS 106 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2jsf h LYS 106 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 2jsf n GLY 107 N -1.55 1.29 1.17 3.86 0.00 -1.26 -4.53 105.19 104.17 2jsf n GLY 107 Ca 0.01 -0.91 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 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 -0.54 1.71 -0.44 1.61 7.64 -1.26 -5.03 113.62 117.31 2jsf n SER 108 Ca 0.00 -1.74 0.00 0.00 1.01 0.00 0.00 58.87 58.14 2jsf n SER 108 Cb 0.00 0.24 0.00 0.00 -1.01 0.00 0.00 64.21 63.44 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 -1.52 -2.85 -4.57 6.43 7.64 -1.26 -4.54 113.62 112.96 2jsf n SER 109 Ca -0.04 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.39 2jsf n SER 109 Cb 0.21 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.39 2jsf n SER 109 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jsf n LEU 110 N 0.00 1.41 -0.04 -3.43 -0.00 -1.26 -4.93 117.00 108.75 2jsf n LEU 110 Ca 0.00 1.17 -0.05 0.00 -0.00 0.00 0.00 56.01 57.14 2jsf n LEU 110 Cb 0.00 -1.24 -0.02 0.00 -0.00 0.00 0.00 43.42 42.16 2jsf n LEU 110 CO 0.00 -1.59 -0.35 -0.62 -0.00 0.00 0.00 177.39 174.82 2jsf n GLU 111 N 0.79 0.28 -3.14 1.47 1.02 -1.26 -5.06 120.64 114.74 2jsf n GLU 111 Ca 0.11 0.11 -0.03 0.00 -0.02 0.00 0.00 57.16 57.32 2jsf n GLU 111 Cb 0.31 -0.95 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 2jsf n GLU 111 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2jsf n HIS 112 N -3.72 -2.87 0.00 -0.32 8.25 -1.26 -4.88 115.22 110.42 2jsf n HIS 112 Ca -0.07 1.09 0.00 0.00 -0.26 0.00 0.00 57.72 58.48 2jsf n HIS 112 Cb 0.27 -3.98 0.00 0.00 1.12 0.00 0.00 29.99 27.40 2jsf n HIS 112 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jsf n HIS 113 N -1.93 -1.52 0.05 4.41 -0.00 -1.26 -4.94 115.22 110.03 2jsf n HIS 113 Ca -0.04 0.02 0.07 0.00 -0.00 0.00 0.00 57.72 57.78 2jsf n HIS 113 Cb 0.52 0.34 0.15 0.00 -0.00 0.00 0.00 29.99 31.00 2jsf n HIS 113 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jsf n HIS 114 N -2.31 0.39 1.28 1.57 -0.00 -1.26 -4.36 115.22 110.53 2jsf n HIS 114 Ca 0.00 -0.33 0.13 0.00 -0.00 0.00 0.00 57.72 57.52 2jsf n HIS 114 Cb 0.00 -0.01 0.40 0.00 -0.00 0.00 0.00 29.99 30.38 2jsf n HIS 114 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jsf n HIS 115 N 0.80 0.00 -2.58 1.57 8.25 -1.26 -5.00 115.22 117.00 2jsf n HIS 115 Ca 0.13 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.56 2jsf n HIS 115 Cb 0.44 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.45 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 -0.52 -3.26 -1.19 4.41 -0.00 -1.26 -5.13 115.22 108.28 2jsf n HIS 116 Ca 0.13 1.40 0.00 0.00 0.46 0.00 0.00 57.72 59.71 2jsf n HIS 116 Cb 0.35 -3.67 0.00 0.00 -0.12 0.00 0.00 29.99 26.55 2jsf n HIS 116 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38