#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsf h ASP 2 N 0.00 0.00 0.00 6.12 2.03 -2.08 -3.46 116.42 119.03 2jsf h ASP 2 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2jsf h ASP 2 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2jsf h ASP 2 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 179.24 178.50 2jsf n LYS 3 N -3.01 0.00 -1.99 4.15 5.02 -1.26 -4.19 118.16 116.88 2jsf n LYS 3 Ca -0.02 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.85 2jsf n LYS 3 Cb 0.27 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.25 2jsf n LYS 3 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2jsf s LEU 4 N 0.00 4.35 0.00 -0.35 0.20 -1.26 -4.89 118.68 116.73 2jsf s LEU 4 Ca 0.00 2.38 0.00 0.00 0.69 0.00 0.00 54.13 57.20 2jsf s LEU 4 Cb 0.00 -3.56 0.00 0.00 -0.43 0.00 0.00 46.19 42.20 2jsf s LEU 4 CO 0.00 -0.86 0.00 0.00 -0.29 0.00 0.00 176.35 175.20 2jsf n GLN 5 N 5.84 0.00 -3.61 1.98 6.02 -1.26 -5.10 117.38 121.25 2jsf n GLN 5 Ca 0.16 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.87 2jsf n GLN 5 Cb 0.41 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.57 2jsf n GLN 5 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2jsf n LEU 6 N 0.00 2.45 -0.54 1.08 4.32 -1.26 -4.77 117.00 118.28 2jsf n LEU 6 Ca 0.00 -5.11 -0.00 0.00 -0.02 0.00 0.00 56.01 50.88 2jsf n LEU 6 Cb 0.00 -0.40 -0.00 0.00 -1.62 0.00 0.00 43.42 41.40 2jsf n LEU 6 CO 0.00 1.90 0.26 2.29 -1.22 0.00 0.00 177.39 180.61 2jsf n LYS 7 N 1.69 0.00 0.00 3.23 2.85 -1.26 -4.91 118.16 119.76 2jsf n LYS 7 Ca 0.25 -0.16 0.00 0.00 -1.05 0.00 0.00 58.31 57.34 2jsf n LYS 7 Cb 0.41 -0.01 0.00 0.00 -0.65 0.00 0.00 35.03 34.77 2jsf n LYS 7 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jsf n GLY 8 N 0.00 0.17 0.06 2.58 0.00 -1.26 -4.91 105.19 101.84 2jsf n GLY 8 Ca -0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 46.02 45.82 2jsf n GLY 8 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2jsf h MET 9 N 0.00 0.00 -6.27 1.61 2.86 -1.93 -3.46 114.93 107.74 2jsf h MET 9 Ca 0.00 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.01 2jsf h MET 9 Cb 0.00 0.00 0.11 0.00 0.06 0.00 0.00 31.60 31.77 2jsf h MET 9 CO 0.00 0.95 -0.15 -1.13 1.06 0.00 0.00 176.91 177.64 2jsf n SER 10 N -3.33 0.20 0.00 1.22 3.41 -1.26 -4.94 113.62 108.92 2jsf n SER 10 Ca -0.01 1.16 0.00 0.00 -0.26 0.00 0.00 58.87 59.76 2jsf n SER 10 Cb 0.94 -1.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 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 0.13 0.00 -0.76 7.33 4.19 -1.26 -4.94 117.16 121.84 2jsf n TYR 11 Ca 0.13 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.34 2jsf n TYR 11 Cb 0.29 -0.08 0.00 0.00 0.49 0.00 0.00 39.34 40.04 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 0.00 -2.90 2.98 2.88 -1.26 -4.93 113.62 108.48 2jsf n SER 12 Ca 0.00 -0.71 -0.08 0.00 -1.33 0.00 0.00 58.87 56.75 2jsf n SER 12 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 64.21 63.47 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 0.00 -2.57 -1.52 -1.46 0.00 -1.26 -4.65 117.12 105.66 2jsf n MET 13 Ca 0.00 2.19 -0.44 0.00 -0.00 0.00 0.00 57.70 59.45 2jsf n MET 13 Cb 0.18 -4.81 -0.06 0.00 0.00 0.00 0.00 33.22 28.53 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 7.61 0.00 0.00 0.00 5.66 -1.26 -4.25 114.28 122.03 2jsf n THR 15 Ca 0.39 -0.02 0.00 0.00 -3.05 0.00 0.00 64.05 61.38 2jsf n THR 15 Cb 0.36 0.57 0.00 0.00 -1.55 0.00 0.00 70.33 69.70 2jsf n THR 15 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jsf n GLY 16 N 1.49 -3.23 3.36 1.09 0.00 -1.26 -4.57 105.19 102.05 2jsf n GLY 16 Ca 0.05 -0.41 -0.20 0.00 0.00 0.00 0.00 46.02 45.47 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 1.64 -0.00 1.61 1.02 0.71 -4.37 119.74 120.35 2jsf s LYS 17 Ca 0.00 -1.95 0.03 0.00 0.02 0.00 0.00 55.97 54.07 2jsf s LYS 17 Cb 0.00 -0.15 -0.01 0.00 -0.52 0.00 0.00 37.83 37.15 2jsf s LYS 17 CO 0.00 -0.46 -0.08 -0.06 -0.92 0.00 0.00 175.35 173.83 2jsf s PHE 18 N -3.54 0.73 -0.26 3.18 0.40 -1.26 0.28 117.98 117.50 2jsf s PHE 18 Ca 0.35 -0.15 -0.05 0.00 -0.60 0.00 0.00 56.93 56.47 2jsf s PHE 18 Cb 0.05 -0.47 0.00 0.00 0.51 0.00 0.00 43.02 43.11 2jsf s PHE 18 CO 0.18 -0.01 0.03 0.21 0.70 0.00 0.00 175.22 176.32 2jsf s LYS 19 N -0.24 3.23 0.09 0.44 2.20 0.43 -4.64 119.74 121.25 2jsf s LYS 19 Ca 0.03 -0.74 -0.31 0.00 -0.36 0.00 0.00 55.97 54.59 2jsf s LYS 19 Cb -0.03 -3.21 -0.10 0.00 -1.51 0.00 0.00 37.83 32.98 2jsf s LYS 19 CO -0.00 -0.33 1.90 0.28 -0.36 0.00 0.00 175.35 176.84 2jsf n VAL 20 N 4.83 0.53 -0.03 4.02 0.31 -1.26 0.64 118.33 127.38 2jsf n VAL 20 Ca -0.16 -0.10 0.01 0.00 -0.01 0.00 0.00 64.34 64.08 2jsf n VAL 20 Cb 0.49 -2.21 -0.14 0.00 -0.91 0.00 0.00 33.84 31.08 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 5.06 0.84 -3.65 2.52 0.31 0.36 -4.81 118.33 118.95 2jsf n VAL 21 Ca 0.19 -0.68 -0.10 0.00 -0.01 0.00 0.00 64.34 63.74 2jsf n VAL 21 Cb 0.39 -0.38 -0.07 0.00 -0.91 0.00 0.00 33.84 32.87 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 -2.99 0.72 0.93 5.55 2.20 0.43 -4.95 119.74 121.63 2jsf s LYS 22 Ca -0.07 1.09 -0.13 0.00 -0.36 0.00 0.00 55.97 56.50 2jsf s LYS 22 Cb 0.10 0.22 0.03 0.00 -1.51 0.00 0.00 37.83 36.67 2jsf s LYS 22 CO 0.85 -0.13 0.41 -1.91 -0.36 0.00 0.00 175.35 174.22 2jsf n GLU 23 N 3.69 -0.25 -1.63 4.03 2.13 -1.26 -2.71 120.64 124.65 2jsf n GLU 23 Ca -0.18 -0.03 -0.47 0.00 0.66 0.00 0.00 57.16 57.14 2jsf n GLU 23 Cb 0.57 -1.86 -0.04 0.00 0.27 0.00 0.00 31.44 30.39 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 -3.51 0.65 -3.48 6.31 2.08 -1.25 -4.51 119.36 115.65 2jsf n ILE 24 Ca 0.07 -0.16 -0.20 0.00 0.56 0.00 0.00 62.75 63.02 2jsf n ILE 24 Cb 0.53 -1.18 -0.02 0.00 -0.75 0.00 0.00 39.64 38.22 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 0.12 4.13 -0.17 -1.39 0.00 0.78 -4.73 121.76 120.50 2jsf s ALA 25 Ca 0.74 -1.85 0.00 0.00 0.00 0.00 0.00 51.96 50.85 2jsf s ALA 25 Cb -0.76 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 21.25 2jsf s ALA 25 CO 0.48 -0.23 -0.16 -1.83 0.00 0.00 0.00 175.76 174.02 2jsf s GLU 26 N -4.16 3.15 0.59 0.00 1.03 -1.26 0.25 118.70 118.29 2jsf s GLU 26 Ca 0.49 -0.77 -0.10 0.00 0.03 0.00 0.00 54.97 54.62 2jsf s GLU 26 Cb -0.04 -2.63 0.14 0.00 -0.80 0.00 0.00 34.13 30.79 2jsf s GLU 26 CO 0.29 -0.08 0.75 0.25 -1.33 0.00 0.00 175.26 175.14 2jsf n THR 27 N 4.31 0.00 -1.28 1.83 -2.24 -0.43 -4.90 114.28 111.56 2jsf n THR 27 Ca -0.20 -0.53 -0.29 0.00 -2.27 0.00 0.00 64.05 60.77 2jsf n THR 27 Cb 0.51 -1.63 0.13 0.00 -2.10 0.00 0.00 70.33 67.25 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 -2.76 2.45 0.00 -0.78 6.02 -1.26 -4.16 117.38 116.88 2jsf n GLN 28 Ca 0.10 -3.14 0.00 0.00 -0.01 0.00 0.00 57.00 53.94 2jsf n GLN 28 Cb 0.34 -2.23 0.00 0.00 1.02 0.00 0.00 30.24 29.37 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 -1.04 0.00 -0.02 1.08 8.25 -1.26 -4.97 115.22 117.25 2jsf n HIS 29 Ca 0.61 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 58.07 2jsf n HIS 29 Cb 1.21 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.33 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 0.00 0.37 2.55 -1.41 0.00 -1.26 -5.07 105.19 100.37 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 -2.00 0.00 -4.14 2.61 -2.24 -1.26 -4.27 114.28 102.98 2jsf n THR 31 Ca 0.00 -1.01 -0.11 0.00 -2.27 0.00 0.00 64.05 60.66 2jsf n THR 31 Cb 0.00 -1.09 -0.09 0.00 -2.10 0.00 0.00 70.33 67.05 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 -2.00 0.03 -0.07 2.28 -4.36 0.20 -1.32 121.20 115.96 2jsf s ILE 32 Ca 0.44 -1.85 0.01 0.00 -0.26 0.00 0.00 60.65 58.99 2jsf s ILE 32 Cb -0.02 -2.30 0.02 0.00 1.25 0.00 0.00 42.46 41.41 2jsf s ILE 32 CO 0.29 -0.13 -0.07 -0.69 0.24 0.00 0.00 174.94 174.58 2jsf s VAL 33 N -4.10 0.80 -0.28 8.37 1.01 0.69 -1.58 120.40 125.31 2jsf s VAL 33 Ca 0.32 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.01 2jsf s VAL 33 Cb 0.06 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.64 2jsf s VAL 33 CO 0.08 0.30 0.05 -0.51 0.00 0.00 0.00 175.10 175.02 2jsf s ILE 34 N 1.17 3.81 -0.27 2.22 -1.16 -0.43 0.27 121.20 126.81 2jsf s ILE 34 Ca -0.06 -0.66 -0.12 0.00 -0.51 0.00 0.00 60.65 59.30 2jsf s ILE 34 Cb -0.14 -2.93 -0.05 0.00 0.61 0.00 0.00 42.46 39.96 2jsf s ILE 34 CO -0.02 0.15 0.22 -0.60 -2.81 0.00 0.00 174.94 171.89 2jsf s ARG 35 N 1.49 3.98 0.07 3.50 3.52 -1.10 0.15 118.95 130.56 2jsf s ARG 35 Ca 0.03 -0.24 -0.10 0.00 -0.13 0.00 0.00 55.73 55.29 2jsf s ARG 35 Cb -0.17 -3.65 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 2jsf s ARG 35 CO 0.01 -0.18 0.21 0.14 -0.81 0.00 0.00 175.30 174.67 2jsf s VAL 36 N 1.75 0.13 -0.21 7.11 -7.23 0.73 0.14 120.40 122.82 2jsf s VAL 36 Ca 0.09 -1.04 -0.07 0.00 -1.81 0.00 0.00 61.98 59.15 2jsf s VAL 36 Cb -0.16 -1.18 -0.03 0.00 0.56 0.00 0.00 36.38 35.57 2jsf s VAL 36 CO 0.10 -0.57 0.05 -1.58 -0.31 0.00 0.00 175.10 172.79 2jsf s GLN 37 N -3.39 3.78 0.11 4.82 0.74 0.21 0.16 119.66 126.08 2jsf s GLN 37 Ca 0.01 -0.43 -0.31 0.00 0.05 0.00 0.00 55.36 54.68 2jsf s GLN 37 Cb 0.03 -3.22 -0.10 0.00 1.10 0.00 0.00 33.01 30.81 2jsf s GLN 37 CO -0.08 0.05 1.87 -0.47 -0.55 0.00 0.00 175.29 176.11 2jsf s TYR 38 N 0.96 1.94 -0.59 1.67 5.04 -1.26 -0.43 117.35 124.68 2jsf s TYR 38 Ca 0.03 -0.14 -0.03 0.00 -2.44 0.00 0.00 57.07 54.49 2jsf s TYR 38 Cb -0.14 -4.21 0.15 0.00 0.35 0.00 0.00 41.96 38.11 2jsf s TYR 38 CO 0.03 -5.09 0.41 -1.21 -1.34 0.00 0.00 175.55 168.34 2jsf s GLU 39 N 3.11 2.50 0.00 4.97 0.41 0.79 -4.10 118.70 126.38 2jsf s GLU 39 Ca 0.83 -2.41 0.00 0.00 -0.41 0.00 0.00 54.97 52.98 2jsf s GLU 39 Cb -0.46 -3.73 0.00 0.00 -1.78 0.00 0.00 34.13 28.17 2jsf s GLU 39 CO 0.38 -1.16 0.00 0.41 -0.49 0.00 0.00 175.26 174.40 2jsf n GLY 40 N 3.68 -0.56 3.36 -1.39 0.00 -1.26 0.26 105.19 109.28 2jsf n GLY 40 Ca 0.06 -0.70 -0.34 0.00 0.00 0.00 0.00 46.02 45.04 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 4.25 0.00 1.61 1.11 -1.26 -4.80 116.67 113.58 2jsf s ASP 41 Ca 0.00 -0.33 0.00 0.00 0.18 0.00 0.00 52.55 52.40 2jsf s ASP 41 Cb 0.00 -1.70 0.00 0.00 1.07 0.00 0.00 42.92 42.29 2jsf s ASP 41 CO 0.00 0.08 0.00 0.61 1.18 0.00 0.00 175.17 177.04 2jsf n GLY 42 N 4.15 0.05 7.00 0.21 0.00 -1.26 -4.51 105.19 110.82 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 -0.50 -4.52 1.61 2.88 -1.26 -3.72 113.62 108.11 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 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 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 0.27 -4.03 -1.46 -0.02 -1.21 -4.22 135.00 124.34 2jsf n PRO 44 Ca 0.00 -0.15 -0.11 0.00 -2.02 0.00 0.00 63.50 61.22 2jsf n PRO 44 Cb 0.00 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 31.39 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 -3.68 1.10 -0.10 0.00 1.02 -1.26 0.92 119.74 117.74 2jsf s LYS 46 Ca 0.25 -0.33 0.02 0.00 0.02 0.00 0.00 55.97 55.94 2jsf s LYS 46 Cb -0.00 -1.92 0.01 0.00 -0.52 0.00 0.00 37.83 35.40 2jsf s LYS 46 CO 0.12 -2.10 -0.17 0.42 -0.92 0.00 0.00 175.35 172.70 2jsf s ILE 47 N -3.74 1.61 0.46 2.17 -1.09 0.40 -1.53 121.20 119.48 2jsf s ILE 47 Ca 0.70 -0.73 -0.24 0.00 -2.23 0.00 0.00 60.65 58.15 2jsf s ILE 47 Cb -0.06 -1.44 -0.07 0.00 -1.58 0.00 0.00 42.46 39.31 2jsf s ILE 47 CO 0.51 0.46 1.33 -2.84 -1.23 0.00 0.00 174.94 173.17 2jsf s PRO 48 N 0.74 3.67 0.12 2.79 0.02 -1.26 -4.43 135.00 136.65 2jsf s PRO 48 Ca -0.11 2.18 -0.14 0.00 0.02 0.00 0.00 61.00 62.95 2jsf s PRO 48 Cb -0.16 -2.56 0.02 0.00 0.02 0.00 0.00 34.50 31.82 2jsf s PRO 48 CO 0.02 -0.75 0.35 0.12 -0.33 0.00 0.00 177.00 176.41 2jsf s PHE 49 N -1.30 -0.09 -0.30 6.54 5.36 -1.26 -1.50 117.98 125.43 2jsf s PHE 49 Ca 0.62 -0.26 -0.11 0.00 -0.96 0.00 0.00 56.93 56.23 2jsf s PHE 49 Cb -0.39 0.17 0.19 0.00 -0.34 0.00 0.00 43.02 42.65 2jsf s PHE 49 CO 0.48 -0.67 1.05 -2.00 -1.46 0.00 0.00 175.22 172.63 2jsf s GLU 50 N -3.82 0.14 -0.06 10.12 2.56 -0.36 -4.91 118.70 122.37 2jsf s GLU 50 Ca 0.04 0.11 0.02 0.00 0.00 0.00 0.00 54.97 55.14 2jsf s GLU 50 Cb 0.03 0.06 0.14 0.00 2.00 0.00 0.00 34.13 36.36 2jsf s GLU 50 CO -0.11 -0.26 0.88 -0.89 -0.56 0.00 0.00 175.26 174.32 2jsf n ILE 51 N 4.93 0.81 0.00 -3.70 5.41 -1.26 0.19 119.36 125.73 2jsf n ILE 51 Ca 0.09 -0.29 0.00 0.00 1.00 0.00 0.00 62.75 63.55 2jsf n ILE 51 Cb 0.58 -0.60 0.00 0.00 -0.71 0.00 0.00 39.64 38.91 2jsf n ILE 51 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 176.55 177.70 2jsf n MET 52 N 0.14 0.00 0.00 0.38 0.00 -1.26 -4.40 117.12 111.99 2jsf n MET 52 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.77 2jsf n MET 52 Cb 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 33.22 33.74 2jsf n MET 52 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2jsf n ASP 53 N -2.45 -0.54 -0.28 3.17 -0.08 -1.26 -1.67 116.55 113.44 2jsf n ASP 53 Ca 0.00 0.00 0.15 0.00 -1.51 0.00 0.00 54.79 53.43 2jsf n ASP 53 Cb 0.00 0.00 0.70 0.00 2.34 0.00 0.00 41.12 44.16 2jsf n ASP 53 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2jsf n LEU 54 N 0.00 0.86 0.02 -2.67 7.94 -1.26 -2.82 117.00 119.08 2jsf n LEU 54 Ca 0.00 -0.29 0.12 0.00 -1.11 0.00 0.00 56.01 54.73 2jsf n LEU 54 Cb 0.00 -0.00 0.31 0.00 0.53 0.00 0.00 43.42 44.26 2jsf n LEU 54 CO 0.00 0.14 0.55 -0.62 -1.11 0.00 0.00 177.39 176.36 2jsf n GLU 55 N -0.32 0.09 0.00 1.96 -0.58 -1.00 -4.34 120.64 116.45 2jsf n GLU 55 Ca 0.21 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 2jsf n GLU 55 Cb 0.25 -1.57 0.00 0.00 -0.57 0.00 0.00 31.44 29.55 2jsf n GLU 55 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2jsf n LYS 56 N -1.71 0.00 -3.43 3.49 4.76 -0.67 -5.07 118.16 115.54 2jsf n LYS 56 Ca 0.05 0.00 -0.35 0.00 -2.87 0.00 0.00 58.31 55.14 2jsf n LYS 56 Cb 0.37 -0.90 0.03 0.00 -1.84 0.00 0.00 35.03 32.70 2jsf n LYS 56 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 2jsf n ARG 57 N -2.60 -1.99 0.00 1.97 0.63 -1.13 -4.75 116.66 108.80 2jsf n ARG 57 Ca 0.00 1.51 0.00 0.00 -0.92 0.00 0.00 57.85 58.44 2jsf n ARG 57 Cb 0.50 -2.53 0.00 0.00 0.45 0.00 0.00 32.46 30.87 2jsf n ARG 57 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2jsf n HIS 58 N -0.25 0.00 -4.32 -0.14 -0.00 -1.26 -5.12 115.22 104.12 2jsf n HIS 58 Ca -0.06 0.00 -0.21 0.00 0.46 0.00 0.00 57.72 57.90 2jsf n HIS 58 Cb 0.66 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 30.36 2jsf n HIS 58 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 2jsf s VAL 59 N 0.00 0.73 -0.25 3.57 0.11 -1.26 -5.01 120.40 118.28 2jsf s VAL 59 Ca 0.00 -0.26 0.02 0.00 -2.93 0.00 0.00 61.98 58.81 2jsf s VAL 59 Cb 0.00 -0.70 0.38 0.00 -1.53 0.00 0.00 36.38 34.52 2jsf s VAL 59 CO 0.00 0.26 1.51 0.00 -3.33 0.00 0.00 175.10 173.54 2jsf n LEU 60 N 3.83 5.10 0.00 2.54 -0.00 -1.26 -4.43 117.00 122.77 2jsf n LEU 60 Ca -0.23 -2.68 0.00 0.00 -0.00 0.00 0.00 56.01 53.10 2jsf n LEU 60 Cb 0.52 -0.69 0.00 0.00 -0.00 0.00 0.00 43.42 43.25 2jsf n LEU 60 CO 0.24 0.81 0.00 0.61 -0.00 0.00 0.00 177.39 179.05 2jsf n GLY 61 N -0.42 0.24 3.21 1.47 0.00 -1.26 -4.27 105.19 104.16 2jsf n GLY 61 Ca 0.34 -0.56 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 0.93 -0.24 1.61 3.00 0.20 -4.93 118.95 119.52 2jsf s ARG 62 Ca 0.00 -1.21 -0.02 0.00 -1.00 0.00 0.00 55.73 53.50 2jsf s ARG 62 Cb 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 34.95 34.29 2jsf s ARG 62 CO 0.00 0.11 -0.07 -1.17 0.00 0.00 0.00 175.30 174.17 2jsf s LEU 63 N -2.51 3.06 0.20 -0.88 1.98 -1.26 0.27 118.68 119.54 2jsf s LEU 63 Ca 0.08 -0.78 0.11 0.00 -2.89 0.00 0.00 54.13 50.65 2jsf s LEU 63 Cb -0.03 -1.66 -0.07 0.00 0.66 0.00 0.00 46.19 45.09 2jsf s LEU 63 CO 0.01 -0.10 1.36 0.40 -1.89 0.00 0.00 176.35 176.13 2jsf h ILE 64 N 6.05 1.26 -0.92 6.68 5.03 0.32 -2.91 117.51 133.02 2jsf h ILE 64 Ca -0.35 -2.78 -0.54 0.00 -0.12 0.00 0.00 64.86 61.07 2jsf h ILE 64 Cb 1.12 2.62 -0.28 0.00 -3.03 0.00 0.00 36.82 37.25 2jsf h ILE 64 CO 0.58 0.72 0.69 0.41 -0.68 0.00 0.00 178.15 179.87 2jsf n THR 65 N -3.28 3.23 -0.44 -0.27 -1.04 0.42 -4.93 114.28 107.97 2jsf n THR 65 Ca 0.01 -2.17 -0.14 0.00 -2.04 0.00 0.00 64.05 59.71 2jsf n THR 65 Cb 0.83 -0.79 -0.00 0.00 -1.82 0.00 0.00 70.33 68.55 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 -0.91 0.31 -4.24 12.58 0.31 -1.10 -1.38 118.33 123.91 2jsf n VAL 66 Ca 0.57 -0.17 -0.36 0.00 -0.01 0.00 0.00 64.34 64.37 2jsf n VAL 66 Cb 1.21 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 34.07 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 0.75 -0.61 -4.57 4.52 0.23 -1.26 -4.84 115.26 109.48 2jsf n ASN 67 Ca 0.04 -1.28 -0.35 0.00 -0.53 0.00 0.00 54.58 52.46 2jsf n ASN 67 Cb 0.12 -1.57 0.10 0.00 -2.08 0.00 0.00 39.78 36.35 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 -4.72 0.29 -3.91 -0.53 -0.04 -0.48 -4.63 135.00 120.98 2jsf n PRO 68 Ca -0.26 0.15 -0.11 0.00 -0.04 0.00 0.00 63.50 63.25 2jsf n PRO 68 Cb 0.65 -2.13 -0.12 0.00 -0.04 0.00 0.00 33.50 31.86 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 -1.98 0.07 0.52 0.52 1.01 -1.26 0.15 121.20 120.23 2jsf s ILE 69 Ca 0.69 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.80 2jsf s ILE 69 Cb -0.32 -0.23 0.02 0.00 0.01 0.00 0.00 42.46 41.94 2jsf s ILE 69 CO 0.54 -0.30 0.75 -0.69 0.00 0.00 0.00 174.94 175.24 2jsf s VAL 70 N -0.92 3.21 -0.00 2.92 1.01 0.26 -4.87 120.40 122.01 2jsf s VAL 70 Ca -0.10 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.33 2jsf s VAL 70 Cb -0.06 -3.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 2jsf s VAL 70 CO -0.00 -0.15 0.03 0.41 0.00 0.00 0.00 175.10 175.39 2jsf n THR 71 N -2.27 0.02 -1.83 3.92 -1.04 -1.26 -2.29 114.28 109.53 2jsf n THR 71 Ca 0.05 -0.04 0.01 0.00 -2.04 0.00 0.00 64.05 62.04 2jsf n THR 71 Cb 0.59 0.19 0.01 0.00 -1.82 0.00 0.00 70.33 69.30 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 -1.64 0.14 -0.22 -2.82 1.02 -1.26 -3.28 120.64 112.57 2jsf n GLU 72 Ca -0.01 -1.11 0.00 0.00 -0.02 0.00 0.00 57.16 56.03 2jsf n GLU 72 Cb 0.13 -0.59 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 -0.13 0.00 0.00 3.49 0.00 -1.26 -4.57 118.16 115.69 2jsf n LYS 73 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.32 2jsf n LYS 73 Cb 0.68 -2.64 0.00 0.00 0.00 0.00 0.00 35.03 33.07 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 0.13 -4.59 3.14 -0.08 -1.26 -4.05 116.55 109.84 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 6.11 -0.33 1.67 0.15 -1.26 -4.61 113.70 115.42 2jsf s SER 75 Ca 0.00 0.82 -0.35 0.00 0.70 0.00 0.00 55.95 57.12 2jsf s SER 75 Cb 0.00 -2.54 -0.11 0.00 -1.71 0.00 0.00 66.02 61.66 2jsf s SER 75 CO 0.00 -1.62 2.17 -0.81 1.20 0.00 0.00 173.24 174.18 2jsf n PRO 76 N 8.35 1.16 -3.86 5.44 -0.04 -1.26 -4.41 135.00 140.38 2jsf n PRO 76 Ca 0.18 0.32 -0.35 0.00 -0.04 0.00 0.00 63.50 63.61 2jsf n PRO 76 Cb 0.48 -2.51 -0.05 0.00 -0.04 0.00 0.00 33.50 31.38 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 7.20 5.43 -0.17 0.52 1.01 0.43 -4.67 120.40 130.15 2jsf s VAL 77 Ca 1.08 0.06 -0.12 0.00 0.00 0.00 0.00 61.98 63.01 2jsf s VAL 77 Cb -0.83 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 2jsf s VAL 77 CO 0.49 0.45 0.21 0.20 0.00 0.00 0.00 175.10 176.44 2jsf s ASN 78 N -1.54 6.33 -0.30 3.32 0.01 -1.23 -0.19 114.94 121.35 2jsf s ASN 78 Ca 0.23 0.38 -0.06 0.00 -0.71 0.00 0.00 52.86 52.70 2jsf s ASN 78 Cb -0.13 -2.13 0.01 0.00 0.41 0.00 0.00 41.25 39.41 2jsf s ASN 78 CO 0.13 0.16 0.08 -0.63 -1.51 0.00 0.00 177.10 175.33 2jsf s ILE 79 N 0.28 3.89 -0.35 0.60 1.01 0.41 -4.72 121.20 122.31 2jsf s ILE 79 Ca 0.13 -0.76 -0.26 0.00 0.00 0.00 0.00 60.65 59.76 2jsf s ILE 79 Cb -0.12 -3.03 0.01 0.00 0.01 0.00 0.00 42.46 39.34 2jsf s ILE 79 CO 0.01 0.06 0.91 -0.70 0.00 0.00 0.00 174.94 175.22 2jsf s GLU 80 N 1.48 3.90 0.04 2.79 2.12 -1.25 -1.32 118.70 126.46 2jsf s GLU 80 Ca 0.02 0.64 0.01 0.00 0.36 0.00 0.00 54.97 56.00 2jsf s GLU 80 Cb -0.17 -3.78 -0.03 0.00 0.26 0.00 0.00 34.13 30.41 2jsf s GLU 80 CO 0.02 -0.87 -0.05 0.00 -0.54 0.00 0.00 175.26 173.81 2jsf s ALA 81 N 3.36 0.46 -0.52 6.30 0.00 -0.61 0.26 121.76 131.01 2jsf s ALA 81 Ca 0.37 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 51.34 2jsf s ALA 81 Cb -0.13 0.12 0.12 0.00 0.00 0.00 0.00 23.12 23.23 2jsf s ALA 81 CO 0.17 -0.14 0.46 -2.00 0.00 0.00 0.00 175.76 174.24 2jsf s GLU 82 N -2.14 2.93 0.16 0.00 2.12 0.76 -0.63 118.70 121.90 2jsf s GLU 82 Ca -0.07 -1.63 -0.30 0.00 0.36 0.00 0.00 54.97 53.33 2jsf s GLU 82 Cb -0.06 -4.22 -0.08 0.00 0.26 0.00 0.00 34.13 30.04 2jsf s GLU 82 CO -0.02 -1.24 1.19 -1.25 -0.54 0.00 0.00 175.26 173.40 2jsf s PRO 83 N 1.58 4.49 0.00 4.30 0.04 -1.26 -0.63 135.00 143.52 2jsf s PRO 83 Ca 0.03 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.92 2jsf s PRO 83 Cb -0.28 -3.26 0.00 0.00 0.04 0.00 0.00 34.50 30.99 2jsf s PRO 83 CO 0.03 -0.11 0.00 -2.30 0.04 0.00 0.00 177.00 174.66 2jsf n PRO 84 N 2.79 0.28 -3.41 0.56 -0.02 -1.26 -4.92 135.00 129.02 2jsf n PRO 84 Ca 0.05 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.15 2jsf n PRO 84 Cb 0.45 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.87 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 -0.39 3.73 0.00 6.00 0.08 -1.26 -4.73 117.98 121.41 2jsf s PHE 85 Ca 0.00 1.07 0.00 0.00 0.12 0.00 0.00 56.93 58.12 2jsf s PHE 85 Cb 0.00 -2.38 0.00 0.00 -0.57 0.00 0.00 43.02 40.07 2jsf s PHE 85 CO 0.00 0.57 0.00 0.41 -0.10 0.00 0.00 175.22 176.10 2jsf n GLY 86 N 1.95 -1.73 3.69 4.36 0.00 -0.27 -4.93 105.19 108.26 2jsf n GLY 86 Ca -0.12 -1.99 -0.32 0.00 0.00 0.00 0.00 46.02 43.59 2jsf n GLY 86 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jsf s ASP 87 N -3.99 3.21 -0.28 1.61 2.15 -1.26 -1.49 116.67 116.61 2jsf s ASP 87 Ca 0.00 2.25 -0.20 0.00 0.43 0.00 0.00 52.55 55.03 2jsf s ASP 87 Cb 0.00 -2.57 0.10 0.00 -0.30 0.00 0.00 42.92 40.15 2jsf s ASP 87 CO 0.00 -2.92 0.83 -0.44 -0.17 0.00 0.00 175.17 172.47 2jsf s SER 88 N -2.50 -0.70 -0.42 -0.34 0.01 0.05 -4.84 113.70 104.95 2jsf s SER 88 Ca 0.69 1.21 -0.08 0.00 1.31 0.00 0.00 55.95 59.07 2jsf s SER 88 Cb -0.25 1.26 0.09 0.00 0.21 0.00 0.00 66.02 67.34 2jsf s SER 88 CO 0.55 -0.20 0.26 -0.31 0.41 0.00 0.00 173.24 173.96 2jsf s TYR 89 N 1.03 3.37 -0.11 2.43 2.02 -1.25 0.20 117.35 125.03 2jsf s TYR 89 Ca -0.05 -1.67 -0.30 0.00 -0.37 0.00 0.00 57.07 54.68 2jsf s TYR 89 Cb -0.05 -3.05 -0.03 0.00 -0.40 0.00 0.00 41.96 38.44 2jsf s TYR 89 CO -0.12 -0.88 1.29 0.42 -1.57 0.00 0.00 175.55 174.69 2jsf s ILE 90 N 1.38 4.18 0.03 2.71 1.09 0.70 -4.02 121.20 127.27 2jsf s ILE 90 Ca 0.04 1.46 -0.01 0.00 -1.10 0.00 0.00 60.65 61.03 2jsf s ILE 90 Cb -0.23 -3.94 -0.04 0.00 -1.06 0.00 0.00 42.46 37.19 2jsf s ILE 90 CO 0.01 -0.08 0.20 -0.63 -0.10 0.00 0.00 174.94 174.33 2jsf s ILE 91 N 3.09 5.41 0.03 2.92 1.09 0.13 0.20 121.20 134.06 2jsf s ILE 91 Ca 0.57 -0.29 0.03 0.00 -1.10 0.00 0.00 60.65 59.86 2jsf s ILE 91 Cb -0.24 -3.59 -0.02 0.00 -1.06 0.00 0.00 42.46 37.55 2jsf s ILE 91 CO 0.19 0.22 -0.09 -0.63 -0.10 0.00 0.00 174.94 174.53 2jsf s ILE 92 N -1.43 0.69 0.00 2.92 1.01 -0.63 -1.22 121.20 122.54 2jsf s ILE 92 Ca 0.31 -0.79 0.00 0.00 0.00 0.00 0.00 60.65 60.17 2jsf s ILE 92 Cb -0.13 -0.66 0.00 0.00 0.01 0.00 0.00 42.46 41.68 2jsf s ILE 92 CO 0.24 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.68 2jsf n GLY 93 N 2.06 -1.56 3.35 6.18 0.00 -0.56 0.28 105.19 114.94 2jsf n GLY 93 Ca -0.18 -1.32 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 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 2.04 0.01 1.61 -7.23 -1.26 -4.35 120.40 111.22 2jsf s VAL 94 Ca 0.00 -1.70 -0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2jsf s VAL 94 Cb 0.00 -1.83 0.00 0.00 0.56 0.00 0.00 36.38 35.11 2jsf s VAL 94 CO 0.00 0.00 0.05 -0.62 -0.31 0.00 0.00 175.10 174.23 2jsf n GLU 95 N 0.91 -0.01 -0.57 4.82 1.02 -1.26 0.53 120.64 126.07 2jsf n GLU 95 Ca -0.18 0.05 -0.29 0.00 -0.02 0.00 0.00 57.16 56.72 2jsf n GLU 95 Cb 0.54 -0.08 -0.08 0.00 -0.02 0.00 0.00 31.44 31.80 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 -4.05 0.00 -0.28 3.49 -0.04 -1.26 -2.25 135.00 130.61 2jsf n PRO 96 Ca 0.00 -0.69 0.00 0.00 -0.04 0.00 0.00 63.50 62.77 2jsf n PRO 96 Cb 0.01 -2.06 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 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 0.78 3.50 0.55 0.00 -1.14 -4.67 105.19 108.70 2jsf n GLY 97 Ca 0.31 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.01 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 -2.19 -0.65 -2.99 1.61 7.27 0.19 -4.14 117.38 116.48 2jsf n GLN 98 Ca 0.00 -0.14 -0.20 0.00 0.07 0.00 0.00 57.00 56.73 2jsf n GLN 98 Cb 0.00 -2.05 0.06 0.00 2.41 0.00 0.00 30.24 30.66 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 -3.54 3.16 -0.20 1.69 1.43 0.81 -4.87 118.68 117.16 2jsf s LEU 99 Ca 0.61 -0.75 -0.18 0.00 -1.03 0.00 0.00 54.13 52.79 2jsf s LEU 99 Cb -0.21 -1.79 0.05 0.00 0.03 0.00 0.00 46.19 44.27 2jsf s LEU 99 CO 0.64 -1.32 0.53 -0.75 0.23 0.00 0.00 176.35 175.68 2jsf s LYS 100 N -4.67 0.61 -0.08 1.70 2.20 -1.26 -1.60 119.74 116.64 2jsf s LYS 100 Ca 0.61 0.77 -0.03 0.00 -0.36 0.00 0.00 55.97 56.97 2jsf s LYS 100 Cb -0.06 0.26 0.04 0.00 -1.51 0.00 0.00 37.83 36.56 2jsf s LYS 100 CO 0.39 -0.09 0.15 -0.51 -0.36 0.00 0.00 175.35 174.93 2jsf s LEU 101 N 0.46 0.29 -0.11 5.43 1.02 0.13 -4.92 118.68 120.97 2jsf s LEU 101 Ca -0.01 0.32 -0.18 0.00 0.02 0.00 0.00 54.13 54.28 2jsf s LEU 101 Cb -0.04 0.31 -0.04 0.00 0.02 0.00 0.00 46.19 46.44 2jsf s LEU 101 CO -0.02 -0.20 0.46 0.54 0.02 0.00 0.00 176.35 177.16 2jsf s ASN 102 N 1.78 6.68 0.09 2.29 4.22 -1.26 0.25 114.94 128.99 2jsf s ASN 102 Ca -0.03 0.81 0.07 0.00 -2.14 0.00 0.00 52.86 51.58 2jsf s ASN 102 Cb -0.12 -2.28 -0.03 0.00 1.28 0.00 0.00 41.25 40.10 2jsf s ASN 102 CO -0.06 0.03 -0.20 0.86 -2.04 0.00 0.00 177.10 175.69 2jsf s TRP 103 N 0.51 1.68 -0.25 1.54 -0.11 0.52 -4.92 118.94 117.91 2jsf s TRP 103 Ca 0.25 -0.41 -0.10 0.00 1.22 0.00 0.00 56.10 57.06 2jsf s TRP 103 Cb -0.15 -0.94 -0.05 0.00 -1.50 0.00 0.00 33.47 30.83 2jsf s TRP 103 CO 0.10 0.16 0.16 0.12 -4.62 0.00 0.00 176.95 172.87 2jsf s PHE 104 N -1.10 3.27 -0.69 5.86 2.19 -1.26 -0.77 117.98 125.48 2jsf s PHE 104 Ca 0.05 0.14 0.04 0.00 0.33 0.00 0.00 56.93 57.49 2jsf s PHE 104 Cb -0.10 -2.29 0.33 0.00 -1.31 0.00 0.00 43.02 39.66 2jsf s PHE 104 CO 0.03 -0.02 1.15 1.17 1.83 0.00 0.00 175.22 179.38 2jsf n LYS 105 N 4.51 3.74 0.00 10.12 0.00 -0.55 -4.95 118.16 131.02 2jsf n LYS 105 Ca -0.15 -4.82 0.00 0.00 0.00 0.00 0.00 58.31 53.34 2jsf n LYS 105 Cb 0.52 -2.29 0.00 0.00 0.00 0.00 0.00 35.03 33.25 2jsf n LYS 105 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2jsf n LYS 106 N -0.16 0.00 0.00 1.64 5.02 -1.26 -1.11 118.16 122.29 2jsf n LYS 106 Ca 0.35 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.64 2jsf n LYS 106 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 2jsf n LYS 106 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2jsf n GLY 107 N 0.00 1.71 3.66 0.72 0.00 -1.26 -4.99 105.19 105.03 2jsf n GLY 107 Ca 0.00 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 2jsf n GLY 107 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jsf s SER 108 N 2.00 6.73 -0.29 1.61 0.01 -1.26 -4.96 113.70 117.54 2jsf s SER 108 Ca 0.00 2.05 -0.23 0.00 1.31 0.00 0.00 55.95 59.08 2jsf s SER 108 Cb 0.00 -2.53 0.14 0.00 0.21 0.00 0.00 66.02 63.83 2jsf s SER 108 CO 0.00 -0.90 1.09 -0.55 0.41 0.00 0.00 173.24 173.29 2jsf s SER 109 N 3.03 -0.39 -0.84 2.44 0.15 -1.26 -5.06 113.70 111.76 2jsf s SER 109 Ca 0.68 0.73 -0.21 0.00 0.70 0.00 0.00 55.95 57.85 2jsf s SER 109 Cb -0.30 0.82 -0.20 0.00 -1.71 0.00 0.00 66.02 64.64 2jsf s SER 109 CO 0.25 -0.12 2.28 0.18 1.20 0.00 0.00 173.24 177.03 2jsf n LEU 110 N 2.41 0.75 -3.20 3.45 4.77 -1.26 -4.71 117.00 119.21 2jsf n LEU 110 Ca -0.13 -1.31 -0.23 0.00 -0.03 0.00 0.00 56.01 54.31 2jsf n LEU 110 Cb 0.56 -1.33 -0.06 0.00 -2.33 0.00 0.00 43.42 40.27 2jsf n LEU 110 CO 0.02 -2.36 -0.26 1.21 -1.33 0.00 0.00 177.39 174.68 2jsf n GLU 111 N 7.72 0.91 -1.71 3.23 2.13 -1.26 -5.08 120.64 126.58 2jsf n GLU 111 Ca 0.51 -3.37 -0.43 0.00 0.66 0.00 0.00 57.16 54.54 2jsf n GLU 111 Cb 0.36 -1.40 -0.03 0.00 0.27 0.00 0.00 31.44 30.64 2jsf n GLU 111 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 2jsf s HIS 112 N -1.57 1.34 0.00 4.31 2.46 -1.26 -4.73 115.29 115.84 2jsf s HIS 112 Ca 0.37 0.29 0.00 0.00 0.47 0.00 0.00 55.06 56.19 2jsf s HIS 112 Cb 0.21 -4.03 0.00 0.00 -0.13 0.00 0.00 32.58 28.63 2jsf s HIS 112 CO -0.10 -4.26 0.00 0.72 -2.47 0.00 0.00 174.74 168.64 2jsf n HIS 113 N 10.21 -0.37 -3.76 3.88 8.25 -1.26 -4.90 115.22 127.27 2jsf n HIS 113 Ca 0.26 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.62 2jsf n HIS 113 Cb 0.44 0.10 -0.05 0.00 1.12 0.00 0.00 29.99 31.60 2jsf n HIS 113 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jsf s HIS 114 N 0.00 -0.01 -1.16 4.41 2.46 -1.26 -5.04 115.29 114.69 2jsf s HIS 114 Ca 0.00 -0.34 -0.12 0.00 0.47 0.00 0.00 55.06 55.07 2jsf s HIS 114 Cb 0.00 0.20 -0.07 0.00 -0.13 0.00 0.00 32.58 32.58 2jsf s HIS 114 CO 0.00 -0.76 2.30 -2.39 -2.47 0.00 0.00 174.74 171.42 2jsf n HIS 115 N -0.24 2.16 -4.61 3.88 1.44 -1.26 -4.86 115.22 111.72 2jsf n HIS 115 Ca -0.12 -2.40 -0.30 0.00 -2.01 0.00 0.00 57.72 52.89 2jsf n HIS 115 Cb 0.63 -2.05 -0.09 0.00 0.12 0.00 0.00 29.99 28.60 2jsf n HIS 115 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2jsf s HIS 116 N 3.42 2.23 -2.07 -1.40 5.04 -1.26 -5.34 115.29 115.91 2jsf s HIS 116 Ca 0.52 -0.79 0.17 0.00 -1.54 0.00 0.00 55.06 53.42 2jsf s HIS 116 Cb 0.14 -1.73 0.13 0.00 0.04 0.00 0.00 32.58 31.16 2jsf s HIS 116 CO -0.02 0.30 1.02 1.58 -2.34 0.00 0.00 174.74 175.29