#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 0.23 -0.04 7.83 1.47 -1.26 -5.11 116.67 119.80 2jsf s ASP 2 Ca 0.00 -1.18 -0.08 0.00 1.18 0.00 0.00 52.55 52.47 2jsf s ASP 2 Cb 0.00 0.78 -0.03 0.00 -0.34 0.00 0.00 42.92 43.33 2jsf s ASP 2 CO 0.00 -1.53 -0.15 0.29 0.68 0.00 0.00 175.17 174.46 2jsf n LYS 3 N -0.53 0.23 0.00 2.11 4.01 -1.26 -5.06 118.16 117.67 2jsf n LYS 3 Ca -0.05 0.09 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 2jsf n LYS 3 Cb 0.60 -0.87 0.00 0.00 -0.51 0.00 0.00 35.03 34.25 2jsf n LYS 3 CO 0.00 0.00 0.00 1.47 -1.11 0.00 0.00 177.40 177.76 2jsf n LEU 4 N -3.78 0.00 0.00 -0.35 -0.00 -1.26 -5.04 117.00 106.57 2jsf n LEU 4 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 2jsf n LEU 4 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.65 2jsf n LEU 4 CO 0.09 0.00 0.00 1.67 -0.00 0.00 0.00 177.39 179.15 2jsf n GLN 5 N 0.00 0.00 0.00 1.47 7.27 -1.26 -5.04 117.38 119.82 2jsf n GLN 5 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2jsf n GLN 5 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2jsf n GLN 5 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 2jsf n LEU 6 N 0.00 0.00 0.00 1.69 0.00 -1.26 -4.82 117.00 112.61 2jsf n LEU 6 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2jsf n LEU 6 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2jsf n LEU 6 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 177.39 177.68 2jsf n LYS 7 N 0.00 0.00 0.00 1.96 5.02 -1.26 -3.75 118.16 120.13 2jsf n LYS 7 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2jsf n LYS 7 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2jsf n LYS 7 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jsf n GLY 8 N 0.00 0.52 1.45 0.72 0.00 -1.26 -5.10 105.19 101.52 2jsf n GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.14 -4.01 -3.90 1.61 1.56 -1.25 -4.96 117.12 106.03 2jsf n MET 9 Ca 0.00 2.90 -0.11 0.00 -0.27 0.00 0.00 57.70 60.23 2jsf n MET 9 Cb 0.00 -3.17 -0.12 0.00 2.15 0.00 0.00 33.22 32.08 2jsf n MET 9 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 2jsf s SER 10 N -1.60 0.06 0.00 6.12 0.15 -1.26 -4.96 113.70 112.21 2jsf s SER 10 Ca 0.00 -0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2jsf s SER 10 Cb 0.00 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2jsf s SER 10 CO 0.00 -0.20 0.00 0.00 1.20 0.00 0.00 173.24 174.24 2jsf n TYR 11 N 2.18 0.00 -0.28 3.44 4.19 -1.26 -4.92 117.16 120.50 2jsf n TYR 11 Ca -0.19 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.02 2jsf n TYR 11 Cb 0.57 -0.11 0.00 0.00 0.49 0.00 0.00 39.34 40.29 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 -1.91 0.07 -2.97 2.98 2.88 -1.26 -4.91 113.62 108.49 2jsf n SER 12 Ca 0.00 -0.42 -0.14 0.00 -1.33 0.00 0.00 58.87 56.98 2jsf n SER 12 Cb 0.00 0.13 0.02 0.00 -0.75 0.00 0.00 64.21 63.61 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 -0.13 -2.33 -1.54 -1.46 0.00 -1.26 -4.59 117.12 105.80 2jsf n MET 13 Ca 0.00 2.01 -0.21 0.00 -0.00 0.00 0.00 57.70 59.50 2jsf n MET 13 Cb 0.07 -4.96 -0.09 0.00 0.00 0.00 0.00 33.22 28.24 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 7.99 0.00 0.00 0.00 -2.24 -1.26 -4.28 114.28 114.49 2jsf n THR 15 Ca 0.50 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 62.22 2jsf n THR 15 Cb 0.38 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 1.41 -2.11 3.41 3.38 0.00 -1.26 -4.46 105.19 105.55 2jsf n GLY 16 Ca 0.09 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 1.48 0.06 1.61 2.20 -1.26 -4.42 119.74 119.41 2jsf s LYS 17 Ca 0.00 -1.52 0.05 0.00 -0.36 0.00 0.00 55.97 54.14 2jsf s LYS 17 Cb 0.00 0.38 -0.03 0.00 -1.51 0.00 0.00 37.83 36.67 2jsf s LYS 17 CO 0.00 -0.57 -0.14 -0.06 -0.36 0.00 0.00 175.35 174.22 2jsf s PHE 18 N -3.89 1.22 -0.26 4.03 0.40 -1.26 0.92 117.98 119.14 2jsf s PHE 18 Ca 0.31 -0.43 -0.02 0.00 -0.60 0.00 0.00 56.93 56.19 2jsf s PHE 18 Cb 0.03 -0.70 0.03 0.00 0.51 0.00 0.00 43.02 42.88 2jsf s PHE 18 CO 0.13 0.05 -0.03 0.21 0.70 0.00 0.00 175.22 176.28 2jsf s LYS 19 N -1.55 2.84 0.10 0.44 2.20 0.26 -4.71 119.74 119.31 2jsf s LYS 19 Ca -0.01 -0.98 -0.31 0.00 -0.36 0.00 0.00 55.97 54.30 2jsf s LYS 19 Cb -0.09 -3.06 -0.10 0.00 -1.51 0.00 0.00 37.83 33.06 2jsf s LYS 19 CO 0.02 -0.43 1.86 0.28 -0.36 0.00 0.00 175.35 176.73 2jsf n VAL 20 N 4.69 0.44 -0.04 4.02 0.31 -1.26 0.68 118.33 127.18 2jsf n VAL 20 Ca -0.16 -0.08 -0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2jsf n VAL 20 Cb 0.47 -2.14 -0.14 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 4.86 0.87 -3.65 2.52 0.31 0.31 -4.80 118.33 118.74 2jsf n VAL 21 Ca 0.19 -0.70 -0.10 0.00 -0.01 0.00 0.00 64.34 63.72 2jsf n VAL 21 Cb 0.38 -0.37 -0.08 0.00 -0.91 0.00 0.00 33.84 32.86 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 -2.95 0.70 1.01 5.55 2.20 0.55 -4.95 119.74 121.86 2jsf s LYS 22 Ca -0.08 1.08 -0.15 0.00 -0.36 0.00 0.00 55.97 56.47 2jsf s LYS 22 Cb 0.09 0.21 0.05 0.00 -1.51 0.00 0.00 37.83 36.67 2jsf s LYS 22 CO 0.85 -0.13 0.20 -1.91 -0.36 0.00 0.00 175.35 174.01 2jsf n GLU 23 N 3.75 -0.71 -1.70 4.03 2.13 -1.26 -2.71 120.64 124.17 2jsf n GLU 23 Ca -0.18 -0.17 -0.44 0.00 0.66 0.00 0.00 57.16 57.03 2jsf n GLU 23 Cb 0.57 -1.76 -0.03 0.00 0.27 0.00 0.00 31.44 30.49 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 -3.83 0.56 -3.67 6.31 2.08 -1.25 -4.45 119.36 115.11 2jsf n ILE 24 Ca 0.04 -0.14 -0.21 0.00 0.56 0.00 0.00 62.75 63.00 2jsf n ILE 24 Cb 0.57 -1.71 -0.04 0.00 -0.75 0.00 0.00 39.64 37.71 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 0.42 3.97 -0.10 -1.39 0.00 0.74 -4.77 121.76 120.63 2jsf s ALA 25 Ca 0.71 -1.92 0.02 0.00 0.00 0.00 0.00 51.96 50.77 2jsf s ALA 25 Cb -0.59 -0.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.61 2jsf s ALA 25 CO 0.43 -0.21 -0.17 -1.83 0.00 0.00 0.00 175.76 173.98 2jsf s GLU 26 N -4.09 3.01 0.72 0.00 1.03 -1.26 0.27 118.70 118.38 2jsf s GLU 26 Ca 0.47 -0.75 -0.02 0.00 0.03 0.00 0.00 54.97 54.69 2jsf s GLU 26 Cb -0.02 -2.45 0.15 0.00 -0.80 0.00 0.00 34.13 31.01 2jsf s GLU 26 CO 0.27 0.32 0.99 0.25 -1.33 0.00 0.00 175.26 175.76 2jsf n THR 27 N 3.18 0.00 -0.17 1.83 -2.24 -0.30 -4.87 114.28 111.71 2jsf n THR 27 Ca -0.18 -1.45 0.06 0.00 -2.27 0.00 0.00 64.05 60.21 2jsf n THR 27 Cb 0.53 -0.98 0.27 0.00 -2.10 0.00 0.00 70.33 68.05 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 -2.87 3.36 -0.03 -0.78 6.02 -1.26 -3.89 117.38 117.93 2jsf n GLN 28 Ca 0.16 -2.15 0.01 0.00 -0.01 0.00 0.00 57.00 55.00 2jsf n GLN 28 Cb 0.57 -1.87 0.02 0.00 1.02 0.00 0.00 30.24 29.98 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 0.61 0.07 -0.38 1.08 8.25 -1.26 -4.94 115.22 118.65 2jsf n HIS 29 Ca 0.19 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 2jsf n HIS 29 Cb 0.80 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.87 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 -0.23 0.80 1.74 -1.41 0.00 -1.25 -5.06 105.19 99.78 2jsf n GLY 30 Ca 0.02 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.38 0.00 -4.01 2.61 -2.24 -1.26 -4.32 114.28 102.68 2jsf n THR 31 Ca 0.00 -0.93 -0.08 0.00 -2.27 0.00 0.00 64.05 60.77 2jsf n THR 31 Cb 0.00 -0.54 -0.10 0.00 -2.10 0.00 0.00 70.33 67.59 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 -0.93 0.16 -0.10 2.28 -4.36 0.04 -1.15 121.20 117.16 2jsf s ILE 32 Ca 0.21 -1.34 0.04 0.00 -0.26 0.00 0.00 60.65 59.30 2jsf s ILE 32 Cb -0.02 -0.98 0.00 0.00 1.25 0.00 0.00 42.46 42.72 2jsf s ILE 32 CO 0.13 -0.74 -0.23 -0.69 0.24 0.00 0.00 174.94 173.65 2jsf s VAL 33 N -2.84 1.98 -0.23 8.37 1.01 0.75 -1.26 120.40 128.18 2jsf s VAL 33 Ca -0.03 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 60.95 2jsf s VAL 33 Cb 0.00 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.68 2jsf s VAL 33 CO -0.06 0.54 -0.05 -0.51 0.00 0.00 0.00 175.10 175.02 2jsf s ILE 34 N 0.37 3.10 -0.28 2.22 -1.16 -0.18 0.26 121.20 125.53 2jsf s ILE 34 Ca -0.19 -0.76 -0.11 0.00 -0.51 0.00 0.00 60.65 59.08 2jsf s ILE 34 Cb -0.18 -2.48 -0.05 0.00 0.61 0.00 0.00 42.46 40.36 2jsf s ILE 34 CO 0.08 0.32 0.18 -0.60 -2.81 0.00 0.00 174.94 172.11 2jsf s ARG 35 N 1.40 3.90 0.08 3.50 3.52 -1.10 0.81 118.95 131.07 2jsf s ARG 35 Ca 0.03 -0.35 -0.09 0.00 -0.13 0.00 0.00 55.73 55.20 2jsf s ARG 35 Cb -0.15 -3.62 -0.00 0.00 -1.56 0.00 0.00 34.95 29.62 2jsf s ARG 35 CO -0.04 -0.19 0.19 0.14 -0.81 0.00 0.00 175.30 174.59 2jsf s VAL 36 N 1.74 0.14 -0.21 7.11 -7.23 0.96 0.11 120.40 123.02 2jsf s VAL 36 Ca 0.07 -1.11 -0.06 0.00 -1.81 0.00 0.00 61.98 59.06 2jsf s VAL 36 Cb -0.16 -1.24 -0.03 0.00 0.56 0.00 0.00 36.38 35.51 2jsf s VAL 36 CO 0.10 -0.61 0.04 -1.58 -0.31 0.00 0.00 175.10 172.74 2jsf s GLN 37 N -3.54 3.76 0.09 4.82 0.74 0.21 0.18 119.66 125.93 2jsf s GLN 37 Ca 0.02 -0.44 -0.31 0.00 0.05 0.00 0.00 55.36 54.68 2jsf s GLN 37 Cb 0.03 -3.19 -0.10 0.00 1.10 0.00 0.00 33.01 30.85 2jsf s GLN 37 CO -0.09 0.06 1.90 0.98 -0.55 0.00 0.00 175.29 177.59 2jsf n TYR 38 N 4.14 2.58 -0.03 1.67 9.36 -1.26 -0.58 117.16 133.05 2jsf n TYR 38 Ca -0.17 -0.25 0.04 0.00 3.32 0.00 0.00 57.90 60.84 2jsf n TYR 38 Cb 0.52 -2.76 -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 6.44 0.66 0.00 2.98 1.02 0.26 -4.08 120.64 127.92 2jsf n GLU 39 Ca 0.19 -0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 2jsf n GLU 39 Cb 0.39 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 30.25 2jsf n GLU 39 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jsf n GLY 40 N 1.42 -2.85 3.17 0.62 0.00 0.50 -4.53 105.19 103.52 2jsf n GLY 40 Ca -0.13 -1.30 -0.21 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.75 1.82 0.00 1.61 1.01 -1.26 -4.81 116.67 113.30 2jsf s ASP 41 Ca 0.00 -0.50 0.00 0.00 0.71 0.00 0.00 52.55 52.76 2jsf s ASP 41 Cb 0.00 -0.11 0.00 0.00 1.01 0.00 0.00 42.92 43.82 2jsf s ASP 41 CO 0.00 0.03 0.00 0.61 0.21 0.00 0.00 175.17 176.02 2jsf n GLY 42 N 1.75 0.15 7.00 0.21 0.00 -1.26 -4.74 105.19 108.30 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 -0.93 -4.51 1.61 2.88 -1.26 -4.36 113.62 107.05 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 0.10 -4.09 -1.46 -0.02 -1.22 -4.45 135.00 123.85 2jsf n PRO 44 Ca 0.00 -0.03 -0.10 0.00 -2.02 0.00 0.00 63.50 61.35 2jsf n PRO 44 Cb 0.00 -1.60 -0.07 0.00 -0.02 0.00 0.00 33.50 31.81 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 -4.06 1.45 -0.13 0.00 1.02 -1.26 0.71 119.74 117.47 2jsf s LYS 46 Ca 0.30 -0.51 0.02 0.00 0.02 0.00 0.00 55.97 55.79 2jsf s LYS 46 Cb 0.03 -2.07 0.01 0.00 -0.52 0.00 0.00 37.83 35.28 2jsf s LYS 46 CO 0.11 -1.77 -0.17 0.42 -0.92 0.00 0.00 175.35 173.02 2jsf s ILE 47 N -3.49 1.67 0.49 2.17 -1.09 0.40 -1.29 121.20 120.06 2jsf s ILE 47 Ca 0.67 -0.73 -0.24 0.00 -2.23 0.00 0.00 60.65 58.12 2jsf s ILE 47 Cb -0.07 -1.52 -0.07 0.00 -1.58 0.00 0.00 42.46 39.23 2jsf s ILE 47 CO 0.48 0.47 1.36 -2.84 -1.23 0.00 0.00 174.94 173.19 2jsf s PRO 48 N 1.04 3.47 0.06 2.79 0.02 -1.26 -4.51 135.00 136.61 2jsf s PRO 48 Ca -0.04 2.26 -0.15 0.00 0.02 0.00 0.00 61.00 63.08 2jsf s PRO 48 Cb -0.15 -2.46 0.03 0.00 0.02 0.00 0.00 34.50 31.94 2jsf s PRO 48 CO -0.04 -0.93 0.36 0.12 -0.33 0.00 0.00 177.00 176.18 2jsf s PHE 49 N -1.28 -0.17 -0.31 6.54 5.36 -1.26 -1.44 117.98 125.41 2jsf s PHE 49 Ca 0.66 0.01 -0.09 0.00 -0.96 0.00 0.00 56.93 56.55 2jsf s PHE 49 Cb -0.40 0.16 0.19 0.00 -0.34 0.00 0.00 43.02 42.63 2jsf s PHE 49 CO 0.50 -0.57 1.00 -2.00 -1.46 0.00 0.00 175.22 172.69 2jsf s GLU 50 N -2.87 0.21 -1.02 10.12 2.56 -0.48 -4.93 118.70 122.30 2jsf s GLU 50 Ca -0.03 0.06 -0.20 0.00 0.00 0.00 0.00 54.97 54.81 2jsf s GLU 50 Cb 0.00 0.06 0.10 0.00 2.00 0.00 0.00 34.13 36.29 2jsf s GLU 50 CO -0.05 -0.35 1.32 0.42 -0.56 0.00 0.00 175.26 176.04 2jsf s ILE 51 N 2.51 4.44 0.18 -3.70 1.01 -1.26 -0.53 121.20 123.84 2jsf s ILE 51 Ca 0.21 -1.45 0.00 0.00 0.00 0.00 0.00 60.65 59.42 2jsf s ILE 51 Cb -0.00 -4.93 0.00 0.00 0.01 0.00 0.00 42.46 37.54 2jsf s ILE 51 CO -0.19 -1.71 0.00 0.80 0.00 0.00 0.00 174.94 173.84 2jsf n MET 52 N 7.40 0.00 0.07 2.79 1.56 -0.95 -4.03 117.12 123.97 2jsf n MET 52 Ca 0.31 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.74 2jsf n MET 52 Cb 0.49 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.86 2jsf n MET 52 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2jsf n ASP 53 N -2.95 -1.35 0.00 6.12 2.03 -1.25 -4.06 116.55 115.09 2jsf n ASP 53 Ca 0.00 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.70 2jsf n ASP 53 Cb 0.00 1.49 0.00 0.00 -0.72 0.00 0.00 41.12 41.89 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 -2.80 0.00 -2.73 -2.67 7.94 -1.26 -4.88 117.00 110.60 2jsf n LEU 54 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 2jsf n LEU 54 Cb 0.00 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.03 2jsf n LEU 54 CO 0.00 0.00 0.34 1.21 -1.11 0.00 0.00 177.39 177.83 2jsf n GLU 55 N -0.90 0.92 -4.47 1.96 2.13 -1.26 -4.87 120.64 114.15 2jsf n GLU 55 Ca 0.00 -1.82 -0.34 0.00 0.66 0.00 0.00 57.16 55.66 2jsf n GLU 55 Cb 0.00 -1.06 -0.10 0.00 0.27 0.00 0.00 31.44 30.55 2jsf n GLU 55 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2jsf s LYS 56 N 0.34 2.98 0.02 5.31 1.02 -1.26 -5.04 119.74 123.11 2jsf s LYS 56 Ca 0.24 -0.47 -0.21 0.00 0.02 0.00 0.00 55.97 55.55 2jsf s LYS 56 Cb 0.28 -2.73 -0.11 0.00 -0.52 0.00 0.00 37.83 34.74 2jsf s LYS 56 CO -0.10 0.63 1.17 -0.09 -0.92 0.00 0.00 175.35 176.05 2jsf h ARG 57 N 5.38 -0.72 -6.64 1.68 2.43 -2.04 -3.43 114.38 111.05 2jsf h ARG 57 Ca -0.48 0.05 -0.58 0.00 -0.81 0.00 0.00 59.98 58.16 2jsf h ARG 57 Cb 1.18 0.16 0.15 0.00 -0.42 0.00 0.00 29.97 31.05 2jsf h ARG 57 CO 0.55 -0.48 -0.06 0.72 -1.51 0.00 0.00 179.97 179.19 2jsf n HIS 58 N -4.25 0.37 0.00 2.20 8.25 -1.26 -4.96 115.22 115.57 2jsf n HIS 58 Ca -0.09 0.49 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 2jsf n HIS 58 Cb 0.29 -2.10 0.00 0.00 1.12 0.00 0.00 29.99 29.31 2jsf n HIS 58 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2jsf n VAL 59 N -1.28 0.00 0.00 1.59 0.31 -1.26 -4.90 118.33 112.78 2jsf n VAL 59 Ca 0.12 0.44 0.00 0.00 -0.01 0.00 0.00 64.34 64.88 2jsf n VAL 59 Cb 0.44 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 2jsf n VAL 59 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 2jsf n LEU 60 N -2.13 0.00 0.00 7.52 7.94 -1.26 -4.47 117.00 124.60 2jsf n LEU 60 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2jsf n LEU 60 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2jsf n LEU 60 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 2jsf n GLY 61 N 0.00 -1.69 3.38 -3.96 0.00 -1.26 -4.55 105.19 97.11 2jsf n GLY 61 Ca 0.00 -1.48 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.14 1.18 -0.16 1.61 3.00 0.53 -4.88 118.95 120.09 2jsf s ARG 62 Ca 0.00 -1.01 0.01 0.00 -1.00 0.00 0.00 55.73 53.73 2jsf s ARG 62 Cb 0.00 0.43 0.02 0.00 0.00 0.00 0.00 34.95 35.39 2jsf s ARG 62 CO 0.00 -0.45 -0.18 -0.51 0.00 0.00 0.00 175.30 174.16 2jsf s LEU 63 N -2.91 1.94 0.15 -0.88 1.43 -1.26 0.27 118.68 117.42 2jsf s LEU 63 Ca 0.12 -0.57 0.12 0.00 -1.03 0.00 0.00 54.13 52.77 2jsf s LEU 63 Cb 0.02 -1.34 -0.10 0.00 0.03 0.00 0.00 46.19 44.80 2jsf s LEU 63 CO -0.03 -0.00 1.21 0.40 0.23 0.00 0.00 176.35 178.15 2jsf h ILE 64 N 5.96 1.14 -0.84 -0.59 5.03 0.37 -3.10 117.51 125.49 2jsf h ILE 64 Ca -0.40 -2.71 -0.47 0.00 -0.12 0.00 0.00 64.86 61.16 2jsf h ILE 64 Cb 1.15 2.54 -0.26 0.00 -3.03 0.00 0.00 36.82 37.22 2jsf h ILE 64 CO 0.57 0.65 0.60 0.41 -0.68 0.00 0.00 178.15 179.71 2jsf n THR 65 N -3.21 2.99 -1.02 -0.27 -1.04 0.25 -4.94 114.28 107.05 2jsf n THR 65 Ca -0.02 -1.85 -0.35 0.00 -2.04 0.00 0.00 64.05 59.78 2jsf n THR 65 Cb 0.86 -0.73 -0.02 0.00 -1.82 0.00 0.00 70.33 68.63 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 -0.79 1.38 -3.65 12.58 0.31 -1.17 -1.48 118.33 125.50 2jsf n VAL 66 Ca 0.51 -0.37 -0.22 0.00 -0.01 0.00 0.00 64.34 64.25 2jsf n VAL 66 Cb 1.27 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 34.25 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 1.50 -3.00 -4.73 4.52 2.85 -1.26 -4.90 115.26 110.24 2jsf n ASN 67 Ca 0.13 -0.71 -0.39 0.00 -0.11 0.00 0.00 54.58 53.50 2jsf n ASN 67 Cb 0.19 -4.49 0.04 0.00 1.24 0.00 0.00 39.78 36.76 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 -4.44 1.63 -3.95 1.20 -0.04 -0.55 -4.75 135.00 124.10 2jsf n PRO 68 Ca -0.18 0.60 -0.10 0.00 -0.04 0.00 0.00 63.50 63.78 2jsf n PRO 68 Cb 0.63 -2.53 -0.11 0.00 -0.04 0.00 0.00 33.50 31.45 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 -1.30 0.10 0.45 0.52 1.01 -1.26 0.15 121.20 120.88 2jsf s ILE 69 Ca 0.72 -0.84 0.05 0.00 0.00 0.00 0.00 60.65 60.58 2jsf s ILE 69 Cb -0.42 -0.30 0.01 0.00 0.01 0.00 0.00 42.46 41.76 2jsf s ILE 69 CO 0.49 -0.46 0.63 -0.69 0.00 0.00 0.00 174.94 174.91 2jsf s VAL 70 N -1.42 3.13 0.00 2.92 1.01 0.22 -4.88 120.40 121.37 2jsf s VAL 70 Ca -0.15 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 60.98 2jsf s VAL 70 Cb -0.09 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.19 2jsf s VAL 70 CO -0.00 -0.05 0.00 0.41 0.00 0.00 0.00 175.10 175.46 2jsf n THR 71 N -2.00 0.00 -1.56 3.92 -1.04 -1.26 -2.38 114.28 109.96 2jsf n THR 71 Ca 0.06 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.09 2jsf n THR 71 Cb 0.59 0.27 0.02 0.00 -1.82 0.00 0.00 70.33 69.39 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 -1.35 0.31 -0.36 -2.82 1.02 -1.26 -3.45 120.64 112.73 2jsf n GLU 72 Ca 0.00 -1.11 0.00 0.00 -0.02 0.00 0.00 57.16 56.03 2jsf n GLU 72 Cb 0.05 -0.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 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 -0.21 0.00 0.00 3.49 0.00 -1.26 -4.57 118.16 115.61 2jsf n LYS 73 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.33 2jsf n LYS 73 Cb 0.62 -2.79 0.00 0.00 0.00 0.00 0.00 35.03 32.87 2jsf n LYS 73 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 2jsf n ASP 74 N 0.00 0.06 -4.59 3.14 -0.08 -1.26 -4.10 116.55 109.72 2jsf n ASP 74 Ca 0.00 -1.00 -0.42 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 6.12 -0.35 1.67 0.15 -1.26 -4.62 113.70 115.41 2jsf s SER 75 Ca 0.00 0.83 -0.36 0.00 0.70 0.00 0.00 55.95 57.12 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 -1.61 2.16 -0.81 1.20 0.00 0.00 173.24 174.18 2jsf n PRO 76 N 8.33 1.03 -3.59 5.44 -0.04 -1.26 -4.38 135.00 140.54 2jsf n PRO 76 Ca 0.18 0.29 -0.34 0.00 -0.04 0.00 0.00 63.50 63.59 2jsf n PRO 76 Cb 0.48 -2.39 -0.05 0.00 -0.04 0.00 0.00 33.50 31.50 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 6.99 5.10 -0.16 0.52 1.01 0.49 -4.69 120.40 129.66 2jsf s VAL 77 Ca 1.09 0.38 -0.05 0.00 0.00 0.00 0.00 61.98 63.41 2jsf s VAL 77 Cb -0.91 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 2jsf s VAL 77 CO 0.51 0.24 0.01 0.20 0.00 0.00 0.00 175.10 176.06 2jsf s ASN 78 N -1.88 5.19 -0.24 3.32 -0.87 -1.23 -0.03 114.94 119.20 2jsf s ASN 78 Ca 0.35 -0.01 -0.04 0.00 -1.57 0.00 0.00 52.86 51.59 2jsf s ASN 78 Cb -0.14 -1.82 0.01 0.00 -0.02 0.00 0.00 41.25 39.28 2jsf s ASN 78 CO 0.19 0.20 -0.02 -0.63 -2.57 0.00 0.00 177.10 174.26 2jsf s ILE 79 N 0.22 3.34 -0.48 0.60 -1.09 0.24 -4.74 121.20 119.28 2jsf s ILE 79 Ca 0.01 -0.70 -0.20 0.00 -2.23 0.00 0.00 60.65 57.53 2jsf s ILE 79 Cb -0.13 -2.62 0.05 0.00 -1.58 0.00 0.00 42.46 38.18 2jsf s ILE 79 CO 0.02 0.28 0.62 -0.70 -1.23 0.00 0.00 174.94 173.94 2jsf s GLU 80 N 1.44 3.16 0.11 2.79 2.56 -1.24 -1.01 118.70 126.50 2jsf s GLU 80 Ca 0.03 -0.73 0.05 0.00 0.00 0.00 0.00 54.97 54.33 2jsf s GLU 80 Cb -0.16 -4.05 -0.04 0.00 2.00 0.00 0.00 34.13 31.89 2jsf s GLU 80 CO -0.03 -1.15 -0.13 0.00 -0.56 0.00 0.00 175.26 173.39 2jsf s ALA 81 N 2.68 1.37 -0.51 6.30 0.00 -0.39 0.28 121.76 131.49 2jsf s ALA 81 Ca 0.17 -1.22 -0.17 0.00 0.00 0.00 0.00 51.96 50.74 2jsf s ALA 81 Cb -0.18 -0.06 0.08 0.00 0.00 0.00 0.00 23.12 22.97 2jsf s ALA 81 CO 0.14 0.09 0.52 -2.00 0.00 0.00 0.00 175.76 174.51 2jsf s GLU 82 N -2.51 3.03 0.41 0.00 2.12 0.76 -0.78 118.70 121.73 2jsf s GLU 82 Ca 0.06 -1.30 -0.25 0.00 0.36 0.00 0.00 54.97 53.84 2jsf s GLU 82 Cb -0.06 -4.18 -0.08 0.00 0.26 0.00 0.00 34.13 30.08 2jsf s GLU 82 CO 0.02 -1.21 1.16 -1.25 -0.54 0.00 0.00 175.26 173.45 2jsf s PRO 83 N 2.03 4.02 0.00 4.30 0.04 -1.26 0.20 135.00 144.33 2jsf s PRO 83 Ca 0.08 1.80 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2jsf s PRO 83 Cb -0.24 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.67 2jsf s PRO 83 CO 0.07 -0.34 0.00 -2.30 0.04 0.00 0.00 177.00 174.47 2jsf n PRO 84 N -0.02 2.74 -4.16 0.56 -0.02 -1.26 -4.87 135.00 127.98 2jsf n PRO 84 Ca 0.05 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.27 2jsf n PRO 84 Cb 0.47 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.88 2jsf n PRO 84 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 2jsf s PHE 85 N 0.00 2.96 0.00 6.00 0.40 -1.26 -4.92 117.98 121.17 2jsf s PHE 85 Ca 0.00 -0.10 0.00 0.00 -0.60 0.00 0.00 56.93 56.23 2jsf s PHE 85 Cb 0.00 -1.41 0.00 0.00 0.51 0.00 0.00 43.02 42.12 2jsf s PHE 85 CO 0.00 0.53 0.00 0.41 0.70 0.00 0.00 175.22 176.86 2jsf n GLY 86 N -0.35 -1.11 3.28 4.36 0.00 0.68 -4.83 105.19 107.22 2jsf n GLY 86 Ca -0.09 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.87 -2.49 -3.40 1.61 5.75 -1.25 -1.49 116.55 114.41 2jsf n ASP 87 Ca 0.00 -0.24 0.02 0.00 -0.01 0.00 0.00 54.79 54.56 2jsf n ASP 87 Cb 0.00 -1.00 -0.05 0.00 -1.03 0.00 0.00 41.12 39.05 2jsf n ASP 87 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 2jsf s SER 88 N -2.07 -0.30 -0.50 -1.12 0.01 0.11 -4.69 113.70 105.14 2jsf s SER 88 Ca 0.58 0.44 -0.16 0.00 1.31 0.00 0.00 55.95 58.11 2jsf s SER 88 Cb -0.14 1.29 0.09 0.00 0.21 0.00 0.00 66.02 67.47 2jsf s SER 88 CO 0.62 -0.06 0.44 -0.31 0.41 0.00 0.00 173.24 174.33 2jsf s TYR 89 N 1.93 3.24 -0.23 2.43 2.02 -1.25 0.25 117.35 125.75 2jsf s TYR 89 Ca -0.03 -1.04 -0.29 0.00 -0.37 0.00 0.00 57.07 55.33 2jsf s TYR 89 Cb -0.03 -3.39 -0.01 0.00 -0.40 0.00 0.00 41.96 38.13 2jsf s TYR 89 CO -0.15 -0.88 1.36 0.42 -1.57 0.00 0.00 175.55 174.73 2jsf s ILE 90 N 1.65 4.08 0.11 2.71 1.01 0.48 -2.23 121.20 129.01 2jsf s ILE 90 Ca 0.04 1.26 -0.08 0.00 0.00 0.00 0.00 60.65 61.87 2jsf s ILE 90 Cb -0.26 -3.99 -0.06 0.00 0.01 0.00 0.00 42.46 38.16 2jsf s ILE 90 CO 0.05 -0.31 0.40 -0.63 0.00 0.00 0.00 174.94 174.45 2jsf s ILE 91 N 4.20 5.12 -0.01 2.92 1.01 0.31 0.07 121.20 134.82 2jsf s ILE 91 Ca 0.59 0.27 0.03 0.00 0.00 0.00 0.00 60.65 61.54 2jsf s ILE 91 Cb -0.21 -3.63 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 2jsf s ILE 91 CO 0.22 0.16 -0.09 -0.63 0.00 0.00 0.00 174.94 174.60 2jsf s ILE 92 N -1.53 0.68 0.00 2.92 1.01 -0.63 -1.38 121.20 122.27 2jsf s ILE 92 Ca 0.37 -0.36 0.00 0.00 0.00 0.00 0.00 60.65 60.66 2jsf s ILE 92 Cb -0.13 -0.57 0.00 0.00 0.01 0.00 0.00 42.46 41.77 2jsf s ILE 92 CO 0.21 0.19 0.00 0.61 0.00 0.00 0.00 174.94 175.95 2jsf n GLY 93 N 2.91 -1.62 3.34 6.18 0.00 -0.52 0.28 105.19 115.75 2jsf n GLY 93 Ca -0.14 -1.43 -0.27 0.00 0.00 0.00 0.00 46.02 44.18 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 2.01 0.00 1.61 -7.23 -1.26 -4.37 120.40 111.16 2jsf s VAL 94 Ca 0.00 -1.61 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 2jsf s VAL 94 Cb 0.00 -1.79 0.00 0.00 0.56 0.00 0.00 36.38 35.15 2jsf s VAL 94 CO 0.00 0.07 0.00 -0.62 -0.31 0.00 0.00 175.10 174.24 2jsf n GLU 95 N 1.12 0.00 -0.79 4.82 1.02 -1.26 -0.04 120.64 125.51 2jsf n GLU 95 Ca -0.18 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.71 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 -3.43 0.01 -0.47 3.49 -0.04 -1.26 -2.04 135.00 131.25 2jsf n PRO 96 Ca 0.00 -0.65 0.00 0.00 -0.04 0.00 0.00 63.50 62.81 2jsf n PRO 96 Cb 0.00 -2.01 0.00 0.00 -0.04 0.00 0.00 33.50 31.45 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 4.54 0.74 3.28 0.55 0.00 -1.18 -4.62 105.19 108.49 2jsf n GLY 97 Ca 0.27 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.03 -0.19 -2.86 1.61 7.27 0.94 -4.33 117.38 117.79 2jsf n GLN 98 Ca 0.00 -0.03 -0.21 0.00 0.07 0.00 0.00 57.00 56.83 2jsf n GLN 98 Cb 0.00 -1.58 0.08 0.00 2.41 0.00 0.00 30.24 31.15 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 1.86 3.08 -0.24 1.69 1.43 0.82 -4.86 118.68 122.46 2jsf s LEU 99 Ca 0.51 -0.64 -0.20 0.00 -1.03 0.00 0.00 54.13 52.77 2jsf s LEU 99 Cb -0.20 -1.81 0.07 0.00 0.03 0.00 0.00 46.19 44.27 2jsf s LEU 99 CO 0.72 -1.52 0.63 -0.75 0.23 0.00 0.00 176.35 175.67 2jsf s LYS 100 N -4.84 0.71 -0.09 1.70 2.20 -1.26 -1.61 119.74 116.55 2jsf s LYS 100 Ca 0.63 0.94 -0.03 0.00 -0.36 0.00 0.00 55.97 57.16 2jsf s LYS 100 Cb -0.06 0.29 0.04 0.00 -1.51 0.00 0.00 37.83 36.59 2jsf s LYS 100 CO 0.41 -0.11 0.05 -0.51 -0.36 0.00 0.00 175.35 174.83 2jsf s LEU 101 N 0.67 0.41 -0.07 5.43 1.02 0.11 -4.91 118.68 121.34 2jsf s LEU 101 Ca -0.03 -0.20 -0.27 0.00 0.02 0.00 0.00 54.13 53.66 2jsf s LEU 101 Cb -0.05 -0.29 -0.03 0.00 0.02 0.00 0.00 46.19 45.85 2jsf s LEU 101 CO -0.04 -0.26 0.85 0.54 0.02 0.00 0.00 176.35 177.46 2jsf s ASN 102 N 2.08 7.13 -0.00 2.29 4.22 -1.26 0.18 114.94 129.58 2jsf s ASN 102 Ca 0.04 1.37 0.08 0.00 -2.14 0.00 0.00 52.86 52.21 2jsf s ASN 102 Cb -0.13 -2.49 -0.02 0.00 1.28 0.00 0.00 41.25 39.89 2jsf s ASN 102 CO -0.05 -0.26 -0.26 0.86 -2.04 0.00 0.00 177.10 175.35 2jsf s TRP 103 N 1.30 2.28 -0.55 1.54 -0.00 0.70 -4.90 118.94 119.32 2jsf s TRP 103 Ca 0.43 -0.43 -0.17 0.00 -0.00 0.00 0.00 56.10 55.94 2jsf s TRP 103 Cb -0.19 -1.44 0.12 0.00 -0.00 0.00 0.00 33.47 31.96 2jsf s TRP 103 CO 0.20 0.01 0.55 0.12 -0.00 0.00 0.00 176.95 177.83 2jsf s PHE 104 N -0.66 3.18 -0.23 5.86 5.36 -1.26 0.08 117.98 130.31 2jsf s PHE 104 Ca 0.10 -1.18 -0.06 0.00 -0.96 0.00 0.00 56.93 54.84 2jsf s PHE 104 Cb -0.10 -3.82 -0.02 0.00 -0.34 0.00 0.00 43.02 38.74 2jsf s PHE 104 CO -0.00 -1.08 0.03 0.21 -1.46 0.00 0.00 175.22 172.91 2jsf s LYS 105 N 1.91 3.57 -0.13 10.12 2.47 -0.56 -4.85 119.74 132.27 2jsf s LYS 105 Ca 0.05 -0.53 -0.09 0.00 -1.56 0.00 0.00 55.97 53.85 2jsf s LYS 105 Cb -0.28 -3.19 0.03 0.00 -1.46 0.00 0.00 37.83 32.93 2jsf s LYS 105 CO 0.04 -0.15 0.18 1.17 0.16 0.00 0.00 175.35 176.75 2jsf n LYS 106 N 4.76 -4.20 0.00 4.03 4.81 -1.26 0.24 118.16 126.55 2jsf n LYS 106 Ca -0.17 3.19 0.00 0.00 -0.87 0.00 0.00 58.31 60.46 2jsf n LYS 106 Cb 0.51 -4.53 0.00 0.00 0.02 0.00 0.00 35.03 31.03 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 1.53 1.66 0.00 3.14 0.00 -1.26 -3.84 105.19 106.43 2jsf n GLY 107 Ca -0.30 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 0.00 -0.70 -3.08 1.61 7.64 -1.26 -4.78 113.62 113.05 2jsf n SER 108 Ca 0.00 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.53 2jsf n SER 108 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 2jsf n SER 108 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2jsf n SER 109 N -1.06 7.32 0.00 6.43 2.88 -1.26 -4.93 113.62 123.01 2jsf n SER 109 Ca 0.00 -3.31 0.00 0.00 -1.33 0.00 0.00 58.87 54.23 2jsf n SER 109 Cb 0.00 -1.26 0.00 0.00 -0.75 0.00 0.00 64.21 62.20 2jsf n SER 109 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2jsf n LEU 110 N 0.94 0.00 -2.19 2.46 4.32 -1.26 -4.87 117.00 116.40 2jsf n LEU 110 Ca 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.54 2jsf n LEU 110 Cb 0.36 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.16 2jsf n LEU 110 CO 0.51 0.00 -0.49 1.21 -1.22 0.00 0.00 177.39 177.40 2jsf n GLU 111 N 0.00 -5.55 0.10 3.23 4.07 -1.26 -5.05 120.64 116.18 2jsf n GLU 111 Ca 0.00 3.96 0.00 0.00 -0.06 0.00 0.00 57.16 61.06 2jsf n GLU 111 Cb 0.00 -4.50 0.00 0.00 -0.06 0.00 0.00 31.44 26.88 2jsf n GLU 111 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2jsf n HIS 112 N 1.91 -1.71 -0.60 4.31 8.25 -1.26 -4.89 115.22 121.22 2jsf n HIS 112 Ca 0.00 0.30 0.08 0.00 -0.26 0.00 0.00 57.72 57.85 2jsf n HIS 112 Cb 0.00 0.53 0.30 0.00 1.12 0.00 0.00 29.99 31.93 2jsf n HIS 112 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jsf n HIS 113 N -3.20 1.17 -3.00 4.41 8.25 -1.26 -4.97 115.22 116.62 2jsf n HIS 113 Ca 0.00 -0.64 -0.13 0.00 -0.26 0.00 0.00 57.72 56.69 2jsf n HIS 113 Cb 0.00 -0.21 0.06 0.00 1.12 0.00 0.00 29.99 30.96 2jsf n HIS 113 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2jsf n HIS 114 N 0.70 -2.09 -3.30 4.41 -0.00 -1.26 -4.95 115.22 108.73 2jsf n HIS 114 Ca 0.22 0.74 -0.47 0.00 0.46 0.00 0.00 57.72 58.67 2jsf n HIS 114 Cb 0.79 -3.92 -0.02 0.00 -0.12 0.00 0.00 29.99 26.72 2jsf n HIS 114 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jsf s HIS 115 N -3.33 3.69 -0.09 1.57 3.76 -1.26 -4.77 115.29 114.85 2jsf s HIS 115 Ca 0.37 -1.91 0.12 0.00 -0.15 0.00 0.00 55.06 53.50 2jsf s HIS 115 Cb -0.05 -3.86 -0.18 0.00 1.11 0.00 0.00 32.58 29.61 2jsf s HIS 115 CO 0.63 -1.03 0.13 0.72 -0.85 0.00 0.00 174.74 174.34 2jsf n HIS 116 N 4.24 0.00 -1.35 1.40 8.25 -1.26 -5.10 115.22 121.40 2jsf n HIS 116 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 2jsf n HIS 116 Cb 0.47 -0.53 0.00 0.00 1.12 0.00 0.00 29.99 31.05 2jsf n HIS 116 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70