#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 0.48 0.00 7.83 1.47 -1.26 -4.95 116.67 120.25 2jsf s ASP 2 Ca 0.00 -0.26 0.00 0.00 1.18 0.00 0.00 52.55 53.47 2jsf s ASP 2 Cb 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 42.92 42.58 2jsf s ASP 2 CO 0.00 -0.08 0.00 0.29 0.68 0.00 0.00 175.17 176.06 2jsf n LYS 3 N 2.36 0.00 -2.36 2.11 4.76 -1.26 -4.70 118.16 119.07 2jsf n LYS 3 Ca -0.17 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 54.84 2jsf n LYS 3 Cb 0.57 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.74 2jsf n LYS 3 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jsf s LEU 4 N 0.00 4.18 0.00 -0.35 1.02 -1.26 -4.95 118.68 117.32 2jsf s LEU 4 Ca 0.00 1.73 0.00 0.00 0.02 0.00 0.00 54.13 55.88 2jsf s LEU 4 Cb 0.00 -3.54 0.00 0.00 0.02 0.00 0.00 46.19 42.67 2jsf s LEU 4 CO 0.00 -0.81 0.00 0.00 0.02 0.00 0.00 176.35 175.56 2jsf n GLN 5 N 6.74 0.00 -3.50 1.70 10.64 -1.26 -3.70 117.38 127.99 2jsf n GLN 5 Ca 0.14 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.21 2jsf n GLN 5 Cb 0.45 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.80 2jsf n GLN 5 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 2jsf s LEU 6 N 0.00 -0.45 -0.05 2.61 0.05 -1.26 -5.06 118.68 114.53 2jsf s LEU 6 Ca 0.00 0.17 0.13 0.00 0.05 0.00 0.00 54.13 54.47 2jsf s LEU 6 Cb 0.00 2.18 0.24 0.00 -2.05 0.00 0.00 46.19 46.56 2jsf s LEU 6 CO 0.00 -0.64 1.11 0.29 -0.55 0.00 0.00 176.35 176.56 2jsf n LYS 7 N 0.05 0.41 -1.05 1.48 4.76 -1.26 -4.95 118.16 117.60 2jsf n LYS 7 Ca -0.12 -1.87 -0.02 0.00 -2.87 0.00 0.00 58.31 53.43 2jsf n LYS 7 Cb 0.61 -0.65 -0.01 0.00 -1.84 0.00 0.00 35.03 33.15 2jsf n LYS 7 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2jsf n GLY 8 N -0.22 0.40 2.45 0.72 0.00 -1.26 -4.85 105.19 102.43 2jsf n GLY 8 Ca 0.07 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.24 1.05 -0.08 1.61 0.00 -1.26 -4.81 117.12 112.39 2jsf n MET 9 Ca -0.02 -3.09 -0.14 0.00 0.00 0.00 0.00 57.70 54.46 2jsf n MET 9 Cb 0.27 -1.36 -0.14 0.00 0.00 0.00 0.00 33.22 31.99 2jsf n MET 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2jsf n SER 10 N 0.10 1.05 0.00 6.12 2.88 -1.26 -4.97 113.62 117.54 2jsf n SER 10 Ca 0.15 0.06 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 2jsf n SER 10 Cb 0.74 0.13 0.00 0.00 -0.75 0.00 0.00 64.21 64.32 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 -3.06 -0.35 0.00 0.66 9.36 -1.26 -5.05 117.16 117.46 2jsf n TYR 11 Ca -0.34 0.00 0.00 0.00 3.32 0.00 0.00 57.90 60.88 2jsf n TYR 11 Cb 1.07 0.27 0.00 0.00 -0.63 0.00 0.00 39.34 40.06 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 -1.82 0.62 -2.74 2.98 2.88 -1.26 -5.02 113.62 109.27 2jsf n SER 12 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2jsf n SER 12 Cb 0.00 0.03 -0.01 0.00 -0.75 0.00 0.00 64.21 63.48 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 -1.29 -3.46 -2.33 -1.46 0.00 -1.26 -4.76 117.12 102.56 2jsf n MET 13 Ca 0.00 2.76 -0.42 0.00 -0.00 0.00 0.00 57.70 60.04 2jsf n MET 13 Cb 0.07 -4.88 -0.03 0.00 0.00 0.00 0.00 33.22 28.38 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 4.43 0.50 0.00 0.00 -2.24 -1.26 -4.03 114.28 111.68 2jsf n THR 15 Ca 0.11 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2jsf n THR 15 Cb 0.45 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 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 0.07 -2.49 3.32 3.38 0.00 -1.26 -4.43 105.19 103.78 2jsf n GLY 16 Ca 0.04 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.71 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 1.55 -0.00 1.61 1.02 -1.26 -4.30 119.74 118.36 2jsf s LYS 17 Ca 0.00 -1.88 0.03 0.00 0.02 0.00 0.00 55.97 54.14 2jsf s LYS 17 Cb 0.00 -0.04 -0.01 0.00 -0.52 0.00 0.00 37.83 37.27 2jsf s LYS 17 CO 0.00 -0.45 -0.09 -0.06 -0.92 0.00 0.00 175.35 173.83 2jsf s PHE 18 N -3.66 0.83 -0.27 3.18 0.40 -1.26 0.11 117.98 117.31 2jsf s PHE 18 Ca 0.36 -0.18 -0.07 0.00 -0.60 0.00 0.00 56.93 56.45 2jsf s PHE 18 Cb 0.05 -0.53 -0.01 0.00 0.51 0.00 0.00 43.02 43.05 2jsf s PHE 18 CO 0.17 -0.01 0.06 0.21 0.70 0.00 0.00 175.22 176.36 2jsf s LYS 19 N -0.34 3.37 0.26 0.44 2.20 0.77 -4.63 119.74 121.81 2jsf s LYS 19 Ca 0.03 -0.66 -0.31 0.00 -0.36 0.00 0.00 55.97 54.66 2jsf s LYS 19 Cb -0.04 -3.32 -0.12 0.00 -1.51 0.00 0.00 37.83 32.84 2jsf s LYS 19 CO -0.00 -0.31 1.65 0.28 -0.36 0.00 0.00 175.35 176.61 2jsf n VAL 20 N 4.89 0.58 -0.03 4.02 0.31 -1.26 0.12 118.33 126.95 2jsf n VAL 20 Ca -0.16 -0.15 0.02 0.00 -0.01 0.00 0.00 64.34 64.05 2jsf n VAL 20 Cb 0.50 -1.96 -0.12 0.00 -0.91 0.00 0.00 33.84 31.35 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 2.92 0.41 -3.64 2.52 0.31 0.56 -4.77 118.33 116.64 2jsf n VAL 21 Ca 0.12 -0.46 -0.09 0.00 -0.01 0.00 0.00 64.34 63.89 2jsf n VAL 21 Cb 0.36 -0.17 -0.07 0.00 -0.91 0.00 0.00 33.84 33.05 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 -2.78 0.71 0.91 5.55 2.20 0.31 -4.93 119.74 121.70 2jsf s LYS 22 Ca -0.06 1.03 -0.13 0.00 -0.36 0.00 0.00 55.97 56.45 2jsf s LYS 22 Cb 0.08 0.24 0.04 0.00 -1.51 0.00 0.00 37.83 36.67 2jsf s LYS 22 CO 0.62 -0.12 0.53 -1.91 -0.36 0.00 0.00 175.35 174.11 2jsf n GLU 23 N 3.49 -0.19 -1.64 4.03 2.13 -1.26 -2.70 120.64 124.49 2jsf n GLU 23 Ca -0.17 -0.01 -0.47 0.00 0.66 0.00 0.00 57.16 57.18 2jsf n GLU 23 Cb 0.57 -1.93 -0.04 0.00 0.27 0.00 0.00 31.44 30.32 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 -3.45 0.62 -3.80 6.31 2.08 -1.25 -4.51 119.36 115.35 2jsf n ILE 24 Ca 0.08 -0.15 -0.23 0.00 0.56 0.00 0.00 62.75 63.00 2jsf n ILE 24 Cb 0.53 -1.29 -0.04 0.00 -0.75 0.00 0.00 39.64 38.09 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 0.19 3.99 -0.08 -1.39 0.00 0.78 -4.78 121.76 120.48 2jsf s ALA 25 Ca 0.73 -1.84 0.03 0.00 0.00 0.00 0.00 51.96 50.89 2jsf s ALA 25 Cb -0.73 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 21.61 2jsf s ALA 25 CO 0.47 -0.25 -0.18 -1.83 0.00 0.00 0.00 175.76 173.96 2jsf s GLU 26 N -4.09 2.82 0.65 0.00 1.03 -1.26 0.26 118.70 118.10 2jsf s GLU 26 Ca 0.43 -0.78 0.01 0.00 0.03 0.00 0.00 54.97 54.66 2jsf s GLU 26 Cb -0.01 -2.37 0.09 0.00 -0.80 0.00 0.00 34.13 31.05 2jsf s GLU 26 CO 0.25 0.39 0.91 0.95 -1.33 0.00 0.00 175.26 176.42 2jsf s THR 27 N -0.14 2.32 -0.21 1.83 -4.23 -0.30 -4.86 115.64 110.06 2jsf s THR 27 Ca -0.03 -0.64 0.01 0.00 -1.18 0.00 0.00 61.69 59.86 2jsf s THR 27 Cb -0.14 -2.68 0.28 0.00 1.34 0.00 0.00 72.50 71.30 2jsf s THR 27 CO 0.04 0.00 1.47 0.00 -0.54 0.00 0.00 174.62 175.59 2jsf n GLN 28 N -2.63 1.56 0.00 3.99 10.64 -1.26 -3.63 117.38 126.05 2jsf n GLN 28 Ca 0.13 -1.31 0.00 0.00 -1.83 0.00 0.00 57.00 53.98 2jsf n GLN 28 Cb 0.60 -1.51 0.00 0.00 -0.86 0.00 0.00 30.24 28.47 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 -0.13 0.00 -0.21 2.61 8.25 -1.26 -4.97 115.22 119.52 2jsf n HIS 29 Ca 0.26 -0.09 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 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 -0.09 0.64 2.70 -1.41 0.00 -1.24 -5.06 105.19 100.73 2jsf n GLY 30 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.03 0.00 -4.01 2.61 -2.24 -1.26 -4.33 114.28 103.02 2jsf n THR 31 Ca 0.00 -1.19 -0.08 0.00 -2.27 0.00 0.00 64.05 60.51 2jsf n THR 31 Cb 0.00 -0.90 -0.11 0.00 -2.10 0.00 0.00 70.33 67.23 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 -1.85 0.15 -0.09 2.28 -4.36 0.28 -1.15 121.20 116.46 2jsf s ILE 32 Ca 0.45 -1.20 0.04 0.00 -0.26 0.00 0.00 60.65 59.68 2jsf s ILE 32 Cb -0.03 -0.68 -0.01 0.00 1.25 0.00 0.00 42.46 42.99 2jsf s ILE 32 CO 0.29 -0.66 -0.23 -0.69 0.24 0.00 0.00 174.94 173.90 2jsf s VAL 33 N -2.28 2.23 -0.21 8.37 1.01 0.72 -1.05 120.40 129.19 2jsf s VAL 33 Ca -0.08 -0.98 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 2jsf s VAL 33 Cb -0.04 -1.85 -0.00 0.00 0.00 0.00 0.00 36.38 34.49 2jsf s VAL 33 CO -0.04 0.56 -0.08 -0.51 0.00 0.00 0.00 175.10 175.03 2jsf s ILE 34 N 0.12 3.11 -0.36 2.22 -1.16 0.15 0.28 121.20 125.55 2jsf s ILE 34 Ca -0.11 -0.58 -0.10 0.00 -0.51 0.00 0.00 60.65 59.34 2jsf s ILE 34 Cb -0.16 -2.39 0.03 0.00 0.61 0.00 0.00 42.46 40.54 2jsf s ILE 34 CO 0.06 0.45 0.18 -0.60 -2.81 0.00 0.00 174.94 172.23 2jsf s ARG 35 N 1.38 2.86 0.00 3.50 3.52 -1.10 0.79 118.95 129.90 2jsf s ARG 35 Ca 0.05 -1.05 0.00 0.00 -0.13 0.00 0.00 55.73 54.60 2jsf s ARG 35 Cb -0.14 -3.67 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 2jsf s ARG 35 CO -0.05 -0.66 0.00 1.33 -0.81 0.00 0.00 175.30 175.11 2jsf n VAL 36 N 4.97 0.00 -3.97 7.11 0.24 0.11 0.21 118.33 127.00 2jsf n VAL 36 Ca -0.12 0.00 -0.19 0.00 -2.04 0.00 0.00 64.34 61.99 2jsf n VAL 36 Cb 0.46 0.00 -0.16 0.00 -1.47 0.00 0.00 33.84 32.67 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 -1.97 0.48 -0.01 7.34 0.74 0.32 0.13 119.66 126.68 2jsf s GLN 37 Ca 0.00 0.04 -0.30 0.00 0.05 0.00 0.00 55.36 55.15 2jsf s GLN 37 Cb 0.00 -0.65 -0.08 0.00 1.10 0.00 0.00 33.01 33.38 2jsf s GLN 37 CO 0.00 -0.15 1.96 -0.47 -0.55 0.00 0.00 175.29 176.09 2jsf s TYR 38 N 1.15 1.34 -2.72 1.67 5.04 -1.25 -0.16 117.35 122.41 2jsf s TYR 38 Ca -0.08 -0.26 0.25 0.00 -2.44 0.00 0.00 57.07 54.54 2jsf s TYR 38 Cb -0.14 -4.17 0.39 0.00 0.35 0.00 0.00 41.96 38.39 2jsf s TYR 38 CO -0.02 -5.19 1.37 0.39 -1.34 0.00 0.00 175.55 170.76 2jsf n GLU 39 N 7.66 1.98 -0.12 4.97 -0.58 0.31 -4.23 120.64 130.62 2jsf n GLU 39 Ca 0.21 -1.53 0.00 0.00 -0.42 0.00 0.00 57.16 55.41 2jsf n GLU 39 Cb 0.42 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.82 2jsf n GLU 39 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jsf n GLY 40 N 1.32 1.04 3.10 0.62 0.00 -0.41 -4.22 105.19 106.63 2jsf n GLY 40 Ca 0.15 -1.92 -0.25 0.00 0.00 0.00 0.00 46.02 44.00 2jsf n GLY 40 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2jsf s ASP 41 N -1.00 1.93 0.00 1.61 1.47 -1.26 -4.84 116.67 114.58 2jsf s ASP 41 Ca 0.00 -0.31 0.00 0.00 1.18 0.00 0.00 52.55 53.42 2jsf s ASP 41 Cb 0.00 -0.58 0.00 0.00 -0.34 0.00 0.00 42.92 42.00 2jsf s ASP 41 CO 0.00 0.12 0.00 0.61 0.68 0.00 0.00 175.17 176.58 2jsf n GLY 42 N 3.25 0.06 7.00 2.12 0.00 -1.26 -4.69 105.19 111.67 2jsf n GLY 42 Ca -0.19 0.00 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 0.00 -1.18 -4.51 1.61 2.88 -1.26 -4.38 113.62 106.78 2jsf n SER 43 Ca 0.00 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.25 2jsf n SER 43 Cb 0.00 0.00 -0.18 0.00 -0.75 0.00 0.00 64.21 63.28 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 -1.23 -4.56 135.00 123.75 2jsf n PRO 44 Ca 0.00 -0.06 -0.15 0.00 -2.02 0.00 0.00 63.50 61.27 2jsf n PRO 44 Cb 0.00 -1.52 -0.04 0.00 -0.02 0.00 0.00 33.50 31.92 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 -3.06 2.25 -0.08 0.00 1.02 -1.26 -1.18 119.74 117.43 2jsf s LYS 46 Ca 0.30 -1.23 0.04 0.00 0.02 0.00 0.00 55.97 55.11 2jsf s LYS 46 Cb -0.00 -2.53 -0.00 0.00 -0.52 0.00 0.00 37.83 34.77 2jsf s LYS 46 CO 0.20 -0.91 -0.22 0.42 -0.92 0.00 0.00 175.35 173.92 2jsf s ILE 47 N -2.78 1.85 0.42 2.17 -1.09 0.53 -0.22 121.20 122.08 2jsf s ILE 47 Ca 0.61 -0.92 -0.25 0.00 -2.23 0.00 0.00 60.65 57.86 2jsf s ILE 47 Cb -0.07 -1.60 -0.08 0.00 -1.58 0.00 0.00 42.46 39.12 2jsf s ILE 47 CO 0.39 0.52 1.26 -2.84 -1.23 0.00 0.00 174.94 173.04 2jsf s PRO 48 N 0.24 3.92 0.10 2.79 0.02 -1.26 -4.01 135.00 136.81 2jsf s PRO 48 Ca -0.13 2.05 -0.16 0.00 0.02 0.00 0.00 61.00 62.78 2jsf s PRO 48 Cb -0.16 -2.68 0.03 0.00 0.02 0.00 0.00 34.50 31.71 2jsf s PRO 48 CO 0.06 -0.50 0.39 0.12 -0.33 0.00 0.00 177.00 176.74 2jsf s PHE 49 N -1.32 -0.19 -0.30 6.54 2.19 -1.26 -1.06 117.98 122.58 2jsf s PHE 49 Ca 0.58 -0.07 -0.14 0.00 0.33 0.00 0.00 56.93 57.64 2jsf s PHE 49 Cb -0.36 0.22 0.18 0.00 -1.31 0.00 0.00 43.02 41.75 2jsf s PHE 49 CO 0.45 -0.65 1.05 -2.00 1.83 0.00 0.00 175.22 175.90 2jsf s GLU 50 N -3.47 0.19 -1.16 10.12 2.12 -0.60 -4.92 118.70 120.98 2jsf s GLU 50 Ca 0.01 0.36 -0.06 0.00 0.36 0.00 0.00 54.97 55.64 2jsf s GLU 50 Cb 0.01 0.20 0.25 0.00 0.26 0.00 0.00 34.13 34.86 2jsf s GLU 50 CO -0.10 -0.19 1.65 -0.89 -0.54 0.00 0.00 175.26 175.20 2jsf n ILE 51 N 5.38 4.96 0.05 -3.70 5.41 -1.26 0.28 119.36 130.48 2jsf n ILE 51 Ca -0.07 -5.33 0.00 0.00 1.00 0.00 0.00 62.75 58.35 2jsf n ILE 51 Cb 0.54 -2.18 0.00 0.00 -0.71 0.00 0.00 39.64 37.28 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 2.30 0.00 0.00 0.38 2.81 -1.20 -4.34 117.12 117.08 2jsf n MET 52 Ca 0.32 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 2jsf n MET 52 Cb 0.34 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.85 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 -2.76 0.00 -0.10 7.83 2.03 -1.26 -4.52 116.55 117.77 2jsf n ASP 53 Ca 0.00 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.47 2jsf n ASP 53 Cb 0.00 0.00 0.85 0.00 -0.72 0.00 0.00 41.12 41.25 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 0.00 0.30 -2.72 -2.67 0.00 -1.26 -4.27 117.00 106.38 2jsf n LEU 54 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 56.01 55.85 2jsf n LEU 54 Cb 0.00 -0.02 0.08 0.00 0.00 0.00 0.00 43.42 43.49 2jsf n LEU 54 CO 0.00 0.05 0.37 1.21 0.00 0.00 0.00 177.39 179.02 2jsf n GLU 55 N -0.78 0.79 -2.55 1.96 4.07 -1.26 -5.05 120.64 117.82 2jsf n GLU 55 Ca 0.22 -1.65 -0.07 0.00 -0.06 0.00 0.00 57.16 55.61 2jsf n GLU 55 Cb 0.17 -1.00 -0.01 0.00 -0.06 0.00 0.00 31.44 30.54 2jsf n GLU 55 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 2jsf n LYS 56 N 0.81 1.67 0.01 5.31 -0.00 -1.26 -5.10 118.16 119.61 2jsf n LYS 56 Ca 0.05 -0.84 0.00 0.00 -0.00 0.00 0.00 58.31 57.52 2jsf n LYS 56 Cb 0.69 0.21 0.00 0.00 -0.00 0.00 0.00 35.03 35.93 2jsf n LYS 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2jsf n ARG 57 N -0.35 0.00 -3.44 -1.58 1.74 -1.26 -5.05 116.66 106.72 2jsf n ARG 57 Ca -0.04 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.88 2jsf n ARG 57 Cb 0.15 -0.30 -0.11 0.00 -1.02 0.00 0.00 32.46 31.17 2jsf n ARG 57 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2jsf s HIS 58 N -2.00 -0.44 0.00 -1.55 5.04 -1.26 -5.11 115.29 109.97 2jsf s HIS 58 Ca 0.00 0.23 0.00 0.00 -1.54 0.00 0.00 55.06 53.75 2jsf s HIS 58 Cb 0.00 -0.31 0.00 0.00 0.04 0.00 0.00 32.58 32.31 2jsf s HIS 58 CO 0.00 -0.72 0.00 0.28 -2.34 0.00 0.00 174.74 171.96 2jsf n VAL 59 N 5.33 0.00 -1.92 0.89 0.31 -1.26 -5.18 118.33 116.50 2jsf n VAL 59 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 2jsf n VAL 59 Cb 0.49 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.42 2jsf n VAL 59 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2jsf n LEU 60 N 0.00 0.00 0.00 7.52 4.77 -1.26 -5.14 117.00 122.89 2jsf n LEU 60 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2jsf n LEU 60 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2jsf n LEU 60 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2jsf n GLY 61 N 0.00 0.95 3.68 -0.72 0.00 -1.26 -4.63 105.19 103.21 2jsf n GLY 61 Ca 0.00 -2.05 -0.09 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.57 1.59 -0.13 1.61 3.00 0.67 -4.90 118.95 119.22 2jsf s ARG 62 Ca 0.00 -0.85 0.01 0.00 -1.00 0.00 0.00 55.73 53.89 2jsf s ARG 62 Cb 0.00 0.58 0.02 0.00 0.00 0.00 0.00 34.95 35.55 2jsf s ARG 62 CO 0.00 -0.71 -0.16 -0.51 0.00 0.00 0.00 175.30 173.92 2jsf s LEU 63 N -2.88 1.76 0.23 -0.88 1.43 -1.26 0.26 118.68 117.34 2jsf s LEU 63 Ca 0.09 -0.48 0.18 0.00 -1.03 0.00 0.00 54.13 52.89 2jsf s LEU 63 Cb -0.04 -1.18 0.04 0.00 0.03 0.00 0.00 46.19 45.05 2jsf s LEU 63 CO 0.01 -0.01 1.22 0.40 0.23 0.00 0.00 176.35 178.20 2jsf h ILE 64 N 5.99 0.44 -0.81 -0.59 5.03 0.21 -3.23 117.51 124.55 2jsf h ILE 64 Ca -0.35 -1.70 -0.54 0.00 -0.12 0.00 0.00 64.86 62.16 2jsf h ILE 64 Cb 1.16 2.06 -0.30 0.00 -3.03 0.00 0.00 36.82 36.70 2jsf h ILE 64 CO 0.52 0.25 0.18 0.41 -0.68 0.00 0.00 178.15 178.83 2jsf n THR 65 N -3.00 3.07 -1.09 -0.27 -1.04 0.22 -4.92 114.28 107.25 2jsf n THR 65 Ca -0.01 -3.18 -0.35 0.00 -2.04 0.00 0.00 64.05 58.47 2jsf n THR 65 Cb 0.69 -0.93 0.02 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 -0.92 0.00 -4.06 12.58 0.31 -1.22 -2.23 118.33 122.79 2jsf n VAL 66 Ca 0.52 -0.46 -0.41 0.00 -0.01 0.00 0.00 64.34 63.98 2jsf n VAL 66 Cb 0.92 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.87 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 2.48 -3.30 -4.53 4.52 6.94 -1.26 -4.86 115.26 115.25 2jsf n ASN 67 Ca 0.05 -1.15 -0.30 0.00 -0.02 0.00 0.00 54.58 53.16 2jsf n ASN 67 Cb 0.45 -1.39 0.21 0.00 -2.36 0.00 0.00 39.78 36.69 2jsf n ASN 67 CO 0.00 0.00 0.00 -2.65 -1.03 0.00 0.00 177.26 173.58 2jsf n PRO 68 N -4.57 -1.45 -3.87 -0.53 -0.02 -0.95 -4.50 135.00 119.10 2jsf n PRO 68 Ca -0.11 -0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 60.88 2jsf n PRO 68 Cb 0.50 -2.18 -0.11 0.00 -0.02 0.00 0.00 33.50 31.68 2jsf n PRO 68 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2jsf s ILE 69 N -2.48 0.06 0.30 4.25 1.01 -1.26 0.20 121.20 123.28 2jsf s ILE 69 Ca 0.66 -0.47 0.07 0.00 0.00 0.00 0.00 60.65 60.91 2jsf s ILE 69 Cb -0.23 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.91 2jsf s ILE 69 CO 0.63 -0.26 0.32 -0.69 0.00 0.00 0.00 174.94 174.94 2jsf s VAL 70 N -0.85 4.10 0.00 2.92 1.01 -0.33 -4.91 120.40 122.33 2jsf s VAL 70 Ca -0.09 -1.23 0.00 0.00 0.00 0.00 0.00 61.98 60.65 2jsf s VAL 70 Cb -0.05 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2jsf s VAL 70 CO 0.01 -0.23 0.00 0.41 0.00 0.00 0.00 175.10 175.29 2jsf n THR 71 N -1.40 0.00 -1.09 3.92 -1.04 -1.26 -2.50 114.28 110.90 2jsf n THR 71 Ca -0.04 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 61.67 2jsf n THR 71 Cb 0.59 0.87 0.00 0.00 -1.82 0.00 0.00 70.33 69.97 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 -0.83 0.00 0.00 -2.82 1.02 -1.26 -4.04 120.64 112.70 2jsf n GLU 72 Ca 0.00 -0.50 0.00 0.00 -0.02 0.00 0.00 57.16 56.64 2jsf n GLU 72 Cb 0.00 -0.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.94 2jsf n GLU 72 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2jsf n LYS 73 N 0.00 0.00 0.00 3.49 5.02 -1.26 -4.53 118.16 120.88 2jsf n LYS 73 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2jsf n LYS 73 Cb 0.51 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 2jsf n LYS 73 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2jsf n ASP 74 N 0.00 0.39 -4.61 4.39 -0.08 -1.26 -3.95 116.55 111.43 2jsf n ASP 74 Ca 0.00 -1.02 -0.43 0.00 -1.51 0.00 0.00 54.79 51.83 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 -0.02 6.24 0.13 1.67 0.15 -1.26 -4.68 113.70 115.93 2jsf s SER 75 Ca 0.00 1.19 -0.35 0.00 0.70 0.00 0.00 55.95 57.49 2jsf s SER 75 Cb 0.00 -2.53 -0.16 0.00 -1.71 0.00 0.00 66.02 61.62 2jsf s SER 75 CO 0.00 -1.45 1.33 -2.65 1.20 0.00 0.00 173.24 171.68 2jsf n PRO 76 N 8.03 1.36 -4.19 5.44 -0.02 -1.26 -4.39 135.00 139.96 2jsf n PRO 76 Ca 0.19 0.49 -0.27 0.00 -2.02 0.00 0.00 63.50 61.89 2jsf n PRO 76 Cb 0.47 -2.11 -0.08 0.00 -0.02 0.00 0.00 33.50 31.76 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 0.33 3.79 -0.10 -1.45 1.01 0.34 -4.85 120.40 119.47 2jsf s VAL 77 Ca 0.79 -1.38 0.03 0.00 0.00 0.00 0.00 61.98 61.42 2jsf s VAL 77 Cb -0.87 -2.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 2jsf s VAL 77 CO 0.47 -0.10 -0.18 0.54 0.00 0.00 0.00 175.10 175.83 2jsf s ASN 78 N -2.94 3.61 -0.22 3.32 2.20 -1.24 0.06 114.94 119.75 2jsf s ASN 78 Ca 0.28 -0.40 0.00 0.00 -0.94 0.00 0.00 52.86 51.80 2jsf s ASN 78 Cb -0.09 -1.31 0.02 0.00 -2.00 0.00 0.00 41.25 37.87 2jsf s ASN 78 CO 0.19 0.20 -0.13 -0.63 -2.94 0.00 0.00 177.10 173.80 2jsf s ILE 79 N 0.10 2.45 -0.42 0.54 -1.09 0.24 -4.78 121.20 118.24 2jsf s ILE 79 Ca -0.08 -1.03 -0.18 0.00 -2.23 0.00 0.00 60.65 57.13 2jsf s ILE 79 Cb -0.15 -2.17 0.02 0.00 -1.58 0.00 0.00 42.46 38.58 2jsf s ILE 79 CO 0.05 0.34 0.51 -0.70 -1.23 0.00 0.00 174.94 173.92 2jsf s GLU 80 N 1.29 3.23 0.12 2.79 2.56 -1.24 -0.68 118.70 126.77 2jsf s GLU 80 Ca 0.01 -0.55 0.05 0.00 0.00 0.00 0.00 54.97 54.48 2jsf s GLU 80 Cb -0.15 -3.94 -0.04 0.00 2.00 0.00 0.00 34.13 32.00 2jsf s GLU 80 CO -0.08 -0.87 -0.12 0.00 -0.56 0.00 0.00 175.26 173.63 2jsf s ALA 81 N 2.39 1.35 -0.51 6.30 0.00 -0.22 0.21 121.76 131.28 2jsf s ALA 81 Ca 0.16 -1.29 -0.16 0.00 0.00 0.00 0.00 51.96 50.67 2jsf s ALA 81 Cb -0.16 -0.01 0.10 0.00 0.00 0.00 0.00 23.12 23.05 2jsf s ALA 81 CO 0.15 0.01 0.46 -2.00 0.00 0.00 0.00 175.76 174.39 2jsf s GLU 82 N -2.92 2.99 0.45 0.00 2.56 0.72 -0.55 118.70 121.95 2jsf s GLU 82 Ca 0.09 -1.53 -0.22 0.00 0.00 0.00 0.00 54.97 53.31 2jsf s GLU 82 Cb -0.03 -4.22 -0.09 0.00 2.00 0.00 0.00 34.13 31.79 2jsf s GLU 82 CO 0.01 -1.20 1.04 -1.25 -0.56 0.00 0.00 175.26 173.30 2jsf s PRO 83 N 1.66 3.96 0.00 4.30 0.04 -1.26 0.24 135.00 143.94 2jsf s PRO 83 Ca 0.04 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.49 2jsf s PRO 83 Cb -0.27 -2.27 0.00 0.00 0.04 0.00 0.00 34.50 31.99 2jsf s PRO 83 CO 0.05 -0.30 0.00 -0.35 0.04 0.00 0.00 177.00 176.44 2jsf n PRO 84 N -0.60 1.24 -4.12 0.56 -0.04 -1.26 -4.81 135.00 125.97 2jsf n PRO 84 Ca 0.07 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.18 2jsf n PRO 84 Cb 0.51 0.00 -0.09 0.00 -0.04 0.00 0.00 33.50 33.89 2jsf n PRO 84 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2jsf s PHE 85 N 0.00 3.29 0.00 0.54 -0.12 -1.26 -4.87 117.98 115.56 2jsf s PHE 85 Ca 0.00 0.20 0.00 0.00 -0.05 0.00 0.00 56.93 57.08 2jsf s PHE 85 Cb 0.00 -1.94 0.00 0.00 -0.63 0.00 0.00 43.02 40.45 2jsf s PHE 85 CO 0.00 0.39 0.00 0.41 -0.05 0.00 0.00 175.22 175.97 2jsf n GLY 86 N 2.70 0.20 3.77 1.99 0.00 0.19 -4.94 105.19 109.10 2jsf n GLY 86 Ca -0.18 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 43.77 2jsf n GLY 86 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2jsf s ASP 87 N -4.00 4.88 -0.28 1.61 1.47 -1.26 -0.28 116.67 118.81 2jsf s ASP 87 Ca 0.00 1.96 -0.21 0.00 1.18 0.00 0.00 52.55 55.48 2jsf s ASP 87 Cb 0.00 -2.54 0.10 0.00 -0.34 0.00 0.00 42.92 40.14 2jsf s ASP 87 CO 0.00 -1.79 0.84 -0.44 0.68 0.00 0.00 175.17 174.46 2jsf s SER 88 N -2.82 -0.69 -0.35 2.11 0.01 0.34 -4.87 113.70 107.44 2jsf s SER 88 Ca 0.65 1.21 -0.02 0.00 1.31 0.00 0.00 55.95 59.10 2jsf s SER 88 Cb -0.20 1.25 0.08 0.00 0.21 0.00 0.00 66.02 67.36 2jsf s SER 88 CO 0.46 -0.20 0.09 -0.31 0.41 0.00 0.00 173.24 173.69 2jsf s TYR 89 N 0.86 3.42 -0.19 2.43 2.02 -1.25 0.26 117.35 124.90 2jsf s TYR 89 Ca -0.04 -2.14 -0.29 0.00 -0.37 0.00 0.00 57.07 54.24 2jsf s TYR 89 Cb -0.05 -2.60 -0.02 0.00 -0.40 0.00 0.00 41.96 38.89 2jsf s TYR 89 CO -0.09 -0.88 1.34 0.42 -1.57 0.00 0.00 175.55 174.77 2jsf s ILE 90 N 1.19 4.12 0.05 2.71 1.09 0.52 -3.24 121.20 127.65 2jsf s ILE 90 Ca 0.01 1.33 -0.03 0.00 -1.10 0.00 0.00 60.65 60.87 2jsf s ILE 90 Cb -0.21 -3.95 -0.04 0.00 -1.06 0.00 0.00 42.46 37.20 2jsf s ILE 90 CO -0.03 -0.22 0.25 -0.63 -0.10 0.00 0.00 174.94 174.21 2jsf s ILE 91 N 3.90 5.34 -0.01 2.92 1.01 0.14 0.20 121.20 134.71 2jsf s ILE 91 Ca 0.58 -0.16 0.01 0.00 0.00 0.00 0.00 60.65 61.09 2jsf s ILE 91 Cb -0.22 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2jsf s ILE 91 CO 0.19 0.20 -0.05 -0.63 0.00 0.00 0.00 174.94 174.66 2jsf s ILE 92 N -1.46 0.41 0.00 2.92 1.01 -0.60 -1.55 121.20 121.94 2jsf s ILE 92 Ca 0.33 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.79 2jsf s ILE 92 Cb -0.13 -0.37 0.00 0.00 0.01 0.00 0.00 42.46 41.97 2jsf s ILE 92 CO 0.23 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.91 2jsf n GLY 93 N 3.15 -1.51 3.30 6.18 0.00 -0.22 0.27 105.19 116.37 2jsf n GLY 93 Ca -0.15 -1.43 -0.25 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 1.81 0.00 1.61 -7.23 -1.26 -4.33 120.40 111.00 2jsf s VAL 94 Ca 0.00 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 58.59 2jsf s VAL 94 Cb 0.00 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.31 2jsf s VAL 94 CO 0.00 -0.03 0.00 -0.62 -0.31 0.00 0.00 175.10 174.14 2jsf n GLU 95 N 1.06 0.00 -0.77 4.82 1.02 -1.26 0.08 120.64 125.59 2jsf n GLU 95 Ca -0.19 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.70 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 -3.59 0.01 -0.51 3.49 -0.04 -1.26 -2.07 135.00 131.03 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 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 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 4.52 0.75 3.33 0.55 0.00 -1.18 -4.64 105.19 108.52 2jsf n GLY 97 Ca 0.28 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.14 -0.19 -2.74 1.61 7.27 0.11 -4.24 117.38 117.06 2jsf n GLN 98 Ca 0.00 -0.02 -0.21 0.00 0.07 0.00 0.00 57.00 56.84 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 0.84 3.25 -0.23 1.69 1.43 0.78 -4.87 118.68 121.58 2jsf s LEU 99 Ca 0.54 -0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 53.23 2jsf s LEU 99 Cb -0.22 -2.50 0.07 0.00 0.03 0.00 0.00 46.19 43.57 2jsf s LEU 99 CO 0.70 -1.26 0.57 -0.75 0.23 0.00 0.00 176.35 175.84 2jsf s LYS 100 N -4.76 0.60 -0.07 1.70 2.20 -1.26 -1.55 119.74 116.60 2jsf s LYS 100 Ca 0.59 0.96 -0.00 0.00 -0.36 0.00 0.00 55.97 57.16 2jsf s LYS 100 Cb -0.09 0.15 0.03 0.00 -1.51 0.00 0.00 37.83 36.41 2jsf s LYS 100 CO 0.39 -0.13 -0.03 -0.51 -0.36 0.00 0.00 175.35 174.71 2jsf s LEU 101 N 1.13 0.90 0.02 5.43 1.02 0.13 -4.91 118.68 122.39 2jsf s LEU 101 Ca -0.07 -0.14 -0.22 0.00 0.02 0.00 0.00 54.13 53.73 2jsf s LEU 101 Cb -0.06 -0.52 -0.05 0.00 0.02 0.00 0.00 46.19 45.58 2jsf s LEU 101 CO -0.11 -0.14 0.66 0.20 0.02 0.00 0.00 176.35 176.98 2jsf s ASN 102 N 1.63 7.07 0.02 2.29 0.02 -1.26 0.19 114.94 124.90 2jsf s ASN 102 Ca 0.00 1.27 0.04 0.00 -1.02 0.00 0.00 52.86 53.16 2jsf s ASN 102 Cb -0.13 -2.40 -0.02 0.00 0.02 0.00 0.00 41.25 38.72 2jsf s ASN 102 CO -0.04 0.07 -0.13 0.86 0.02 0.00 0.00 177.10 177.88 2jsf s TRP 103 N -0.15 1.14 -0.15 2.20 -0.00 0.73 -4.93 118.94 117.77 2jsf s TRP 103 Ca 0.34 -0.30 -0.06 0.00 -0.00 0.00 0.00 56.10 56.07 2jsf s TRP 103 Cb -0.19 -0.70 -0.04 0.00 -0.00 0.00 0.00 33.47 32.54 2jsf s TRP 103 CO 0.19 0.01 0.06 -0.06 -0.00 0.00 0.00 176.95 177.16 2jsf s PHE 104 N -0.66 3.30 -0.05 5.86 0.40 -1.26 -0.50 117.98 125.06 2jsf s PHE 104 Ca 0.02 0.18 0.00 0.00 -0.60 0.00 0.00 56.93 56.54 2jsf s PHE 104 Cb -0.07 -2.00 0.02 0.00 0.51 0.00 0.00 43.02 41.49 2jsf s PHE 104 CO 0.01 0.32 -0.03 0.15 0.70 0.00 0.00 175.22 176.37 2jsf s LYS 105 N -0.12 0.73 1.34 0.44 1.02 0.62 -4.95 119.74 118.82 2jsf s LYS 105 Ca 0.07 -0.04 0.00 0.00 0.02 0.00 0.00 55.97 56.02 2jsf s LYS 105 Cb -0.12 -0.83 0.00 0.00 -0.52 0.00 0.00 37.83 36.36 2jsf s LYS 105 CO 0.01 -0.14 0.00 1.17 -0.92 0.00 0.00 175.35 175.47 2jsf n LYS 106 N 4.30 0.00 0.00 1.68 4.81 -1.26 0.53 118.16 128.21 2jsf n LYS 106 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.23 2jsf n LYS 106 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 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 0.00 0.34 0.12 3.14 0.00 -1.26 -4.62 105.19 102.91 2jsf n GLY 107 Ca 0.00 0.60 -0.12 0.00 0.00 0.00 0.00 46.02 46.50 2jsf n GLY 107 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2jsf h SER 108 N 0.00 -0.17 -0.34 1.61 0.02 -2.02 -3.40 113.55 109.25 2jsf h SER 108 Ca 0.00 -0.35 -0.23 0.00 -0.84 0.00 0.00 61.79 60.37 2jsf h SER 108 Cb 0.00 0.04 -0.30 0.00 0.14 0.00 0.00 62.40 62.28 2jsf h SER 108 CO 0.00 0.30 -0.80 -1.20 -1.14 0.00 0.00 176.83 173.99 2jsf n SER 109 N -4.96 0.31 -4.28 3.07 7.64 -1.26 -5.13 113.62 109.01 2jsf n SER 109 Ca -0.09 -2.21 -0.33 0.00 1.01 0.00 0.00 58.87 57.25 2jsf n SER 109 Cb 0.26 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.61 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 -0.82 -1.98 -4.48 -3.43 -0.00 -1.26 -5.01 117.00 100.02 2jsf n LEU 110 Ca -0.01 0.01 -0.24 0.00 -0.00 0.00 0.00 56.01 55.76 2jsf n LEU 110 Cb 0.83 -0.98 -0.10 0.00 -0.00 0.00 0.00 43.42 43.17 2jsf n LEU 110 CO 0.01 -3.28 -0.47 -0.70 -0.00 0.00 0.00 177.39 172.95 2jsf s GLU 111 N -3.34 1.72 -0.91 1.47 2.12 -1.26 -5.07 118.70 113.43 2jsf s GLU 111 Ca 0.54 -1.75 -0.22 0.00 0.36 0.00 0.00 54.97 53.91 2jsf s GLU 111 Cb -0.13 -1.79 0.08 0.00 0.26 0.00 0.00 34.13 32.54 2jsf s GLU 111 CO 0.67 0.33 1.26 -1.58 -0.54 0.00 0.00 175.26 175.40 2jsf s HIS 112 N -2.49 2.70 -0.11 5.30 5.65 -1.26 -4.99 115.29 120.10 2jsf s HIS 112 Ca 0.30 -0.87 -0.29 0.00 0.25 0.00 0.00 55.06 54.45 2jsf s HIS 112 Cb -0.05 -4.50 -0.01 0.00 -1.18 0.00 0.00 32.58 26.83 2jsf s HIS 112 CO 0.15 -1.78 0.97 -1.58 -0.65 0.00 0.00 174.74 171.86 2jsf s HIS 113 N 4.23 3.51 -1.57 3.88 2.46 -1.26 -4.93 115.29 121.60 2jsf s HIS 113 Ca 0.37 1.54 -0.10 0.00 0.47 0.00 0.00 55.06 57.34 2jsf s HIS 113 Cb -0.05 -3.15 -0.05 0.00 -0.13 0.00 0.00 32.58 29.21 2jsf s HIS 113 CO -0.04 -0.20 2.80 1.58 -2.47 0.00 0.00 174.74 176.41 2jsf n HIS 114 N 4.93 2.59 0.00 3.88 -0.00 -1.26 -3.76 115.22 121.61 2jsf n HIS 114 Ca 0.08 -3.05 0.00 0.00 0.46 0.00 0.00 57.72 55.20 2jsf n HIS 114 Cb 0.49 -2.44 0.00 0.00 -0.12 0.00 0.00 29.99 27.92 2jsf n HIS 114 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jsf n HIS 115 N 3.75 -0.39 -4.67 1.57 -0.00 -1.26 -5.16 115.22 109.06 2jsf n HIS 115 Ca 0.73 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 58.45 2jsf n HIS 115 Cb 0.25 0.08 0.00 0.00 -0.00 0.00 0.00 29.99 30.32 2jsf n HIS 115 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2jsf n HIS 116 N -1.73 -1.53 0.24 1.57 8.25 -1.25 -5.31 115.22 115.45 2jsf n HIS 116 Ca 0.00 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 2jsf n HIS 116 Cb 0.00 0.24 0.02 0.00 1.12 0.00 0.00 29.99 31.38 2jsf n HIS 116 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56