#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jsf n ASP 2 N 0.00 6.26 -0.60 7.83 -0.08 -1.26 -4.33 116.55 124.38 2jsf n ASP 2 Ca 0.00 -2.45 0.06 0.00 -1.51 0.00 0.00 54.79 50.88 2jsf n ASP 2 Cb 0.00 -1.30 0.21 0.00 2.34 0.00 0.00 41.12 42.37 2jsf n ASP 2 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 2jsf n LYS 3 N 4.17 1.59 -1.70 -0.67 0.00 -1.26 -5.04 118.16 115.25 2jsf n LYS 3 Ca 0.58 -3.28 -0.53 0.00 0.00 0.00 0.00 58.31 55.09 2jsf n LYS 3 Cb 0.19 -1.62 -0.06 0.00 0.00 0.00 0.00 35.03 33.54 2jsf n LYS 3 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2jsf n LEU 4 N -1.13 2.94 0.00 3.14 7.94 -1.26 -4.83 117.00 123.80 2jsf n LEU 4 Ca 0.19 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 56.12 2jsf n LEU 4 Cb 0.70 -1.26 0.00 0.00 0.53 0.00 0.00 43.42 43.39 2jsf n LEU 4 CO -0.03 -0.24 0.00 0.00 -1.11 0.00 0.00 177.39 176.01 2jsf n GLN 5 N 5.99 0.00 -1.68 1.96 6.02 -1.26 -5.05 117.38 123.37 2jsf n GLN 5 Ca 0.24 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.84 2jsf n GLN 5 Cb 0.22 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.46 2jsf n GLN 5 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2jsf n LEU 6 N 0.00 8.32 0.00 1.08 7.94 -1.26 -4.87 117.00 128.21 2jsf n LEU 6 Ca 0.00 -4.62 0.00 0.00 -1.11 0.00 0.00 56.01 50.28 2jsf n LEU 6 Cb 0.00 -1.46 0.00 0.00 0.53 0.00 0.00 43.42 42.49 2jsf n LEU 6 CO 0.00 2.03 0.00 0.29 -1.11 0.00 0.00 177.39 178.60 2jsf n LYS 7 N 2.76 0.00 0.00 1.96 4.01 -1.26 -3.54 118.16 122.09 2jsf n LYS 7 Ca 0.69 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 58.49 2jsf n LYS 7 Cb 0.25 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.77 2jsf n LYS 7 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2jsf n GLY 8 N 0.00 0.22 1.76 0.72 0.00 -1.26 -5.06 105.19 101.56 2jsf n GLY 8 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.19 0.00 -3.60 1.61 0.00 -1.23 -5.14 117.12 107.56 2jsf n MET 9 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.70 57.55 2jsf n MET 9 Cb 0.00 -0.01 -0.07 0.00 0.00 0.00 0.00 33.22 33.14 2jsf n MET 9 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 2jsf s SER 10 N -4.30 -0.64 0.00 6.12 0.15 -1.26 -5.06 113.70 108.70 2jsf s SER 10 Ca 0.00 1.00 0.00 0.00 0.70 0.00 0.00 55.95 57.65 2jsf s SER 10 Cb 0.00 0.95 0.00 0.00 -1.71 0.00 0.00 66.02 65.26 2jsf s SER 10 CO 0.00 -0.40 0.00 0.00 1.20 0.00 0.00 173.24 174.04 2jsf n TYR 11 N 1.89 0.00 0.00 3.44 4.19 -1.26 -4.98 117.16 120.44 2jsf n TYR 11 Ca -0.16 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.05 2jsf n TYR 11 Cb 0.56 -0.18 0.00 0.00 0.49 0.00 0.00 39.34 40.21 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 -1.66 0.00 -2.70 2.98 2.88 -1.26 -5.01 113.62 108.85 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 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.45 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 -0.35 -3.64 -1.58 -1.46 0.00 -1.26 -4.73 117.12 104.10 2jsf n MET 13 Ca 0.00 2.88 -0.46 0.00 -0.00 0.00 0.00 57.70 60.12 2jsf n MET 13 Cb 0.00 -5.35 -0.02 0.00 0.00 0.00 0.00 33.22 27.85 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 0.54 0.00 0.00 0.00 -2.24 -1.26 -4.40 114.28 106.93 2jsf n THR 15 Ca 0.11 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2jsf n THR 15 Cb 0.30 0.53 0.00 0.00 -2.10 0.00 0.00 70.33 69.06 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 1.38 -3.05 3.37 3.38 0.00 -1.26 -4.49 105.19 104.52 2jsf n GLY 16 Ca 0.00 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 2jsf n GLY 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jsf n LYS 17 N 0.00 0.49 -4.05 1.61 4.81 -1.26 -4.35 118.16 115.41 2jsf n LYS 17 Ca 0.00 -3.49 -0.13 0.00 -0.87 0.00 0.00 58.31 53.83 2jsf n LYS 17 Cb 0.00 2.37 -0.11 0.00 0.02 0.00 0.00 35.03 37.31 2jsf n LYS 17 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2jsf s PHE 18 N -3.26 0.60 -0.21 5.64 0.08 -1.26 -0.72 117.98 118.86 2jsf s PHE 18 Ca 0.31 -0.49 -0.01 0.00 0.12 0.00 0.00 56.93 56.86 2jsf s PHE 18 Cb 0.02 -0.37 0.01 0.00 -0.57 0.00 0.00 43.02 42.11 2jsf s PHE 18 CO 0.22 -0.10 -0.12 0.21 -0.10 0.00 0.00 175.22 175.33 2jsf s LYS 19 N -1.51 3.06 0.23 0.44 2.20 -0.17 -4.65 119.74 119.33 2jsf s LYS 19 Ca -0.10 -0.81 -0.32 0.00 -0.36 0.00 0.00 55.97 54.38 2jsf s LYS 19 Cb -0.10 -2.80 -0.12 0.00 -1.51 0.00 0.00 37.83 33.31 2jsf s LYS 19 CO 0.00 -0.25 1.68 0.28 -0.36 0.00 0.00 175.35 176.70 2jsf n VAL 20 N 4.68 0.30 -0.05 4.02 0.31 -1.26 0.87 118.33 127.20 2jsf n VAL 20 Ca -0.19 -0.08 -0.02 0.00 -0.01 0.00 0.00 64.34 64.05 2jsf n VAL 20 Cb 0.49 -1.96 -0.12 0.00 -0.91 0.00 0.00 33.84 31.34 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 3.41 0.64 -3.66 2.52 0.31 0.46 -4.77 118.33 117.25 2jsf n VAL 21 Ca 0.14 -0.53 -0.10 0.00 -0.01 0.00 0.00 64.34 63.84 2jsf n VAL 21 Cb 0.35 -0.34 -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 -2.62 0.66 0.79 5.55 2.20 0.28 -4.93 119.74 121.66 2jsf s LYS 22 Ca -0.07 1.03 -0.15 0.00 -0.36 0.00 0.00 55.97 56.42 2jsf s LYS 22 Cb 0.06 0.18 -0.01 0.00 -1.51 0.00 0.00 37.83 36.56 2jsf s LYS 22 CO 0.62 -0.13 0.57 -1.91 -0.36 0.00 0.00 175.35 174.14 2jsf n GLU 23 N 3.78 0.16 -1.60 4.03 2.13 -1.26 -2.73 120.64 125.16 2jsf n GLU 23 Ca -0.19 0.10 -0.49 0.00 0.66 0.00 0.00 57.16 57.25 2jsf n GLU 23 Cb 0.57 -1.91 -0.04 0.00 0.27 0.00 0.00 31.44 30.33 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 -2.75 0.64 -3.69 6.31 2.08 -1.25 -4.55 119.36 116.15 2jsf n ILE 24 Ca 0.10 -0.16 -0.22 0.00 0.56 0.00 0.00 62.75 63.02 2jsf n ILE 24 Cb 0.51 -0.98 -0.03 0.00 -0.75 0.00 0.00 39.64 38.39 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 0.05 4.06 -0.09 -1.39 0.00 0.79 -4.76 121.76 120.42 2jsf s ALA 25 Ca 0.75 -1.84 0.03 0.00 0.00 0.00 0.00 51.96 50.90 2jsf s ALA 25 Cb -0.83 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 21.39 2jsf s ALA 25 CO 0.50 -0.27 -0.19 -1.83 0.00 0.00 0.00 175.76 173.97 2jsf s GLU 26 N -4.13 2.99 0.78 0.00 1.03 -1.26 0.25 118.70 118.36 2jsf s GLU 26 Ca 0.45 -0.79 -0.03 0.00 0.03 0.00 0.00 54.97 54.64 2jsf s GLU 26 Cb -0.02 -2.41 0.16 0.00 -0.80 0.00 0.00 34.13 31.06 2jsf s GLU 26 CO 0.26 0.30 1.07 0.95 -1.33 0.00 0.00 175.26 176.52 2jsf s THR 27 N 0.08 2.02 -0.30 1.83 -4.23 -0.64 -4.87 115.64 109.53 2jsf s THR 27 Ca -0.08 -0.53 0.03 0.00 -1.18 0.00 0.00 61.69 59.93 2jsf s THR 27 Cb -0.15 -2.49 0.45 0.00 1.34 0.00 0.00 72.50 71.64 2jsf s THR 27 CO 0.05 0.00 1.61 0.00 -0.54 0.00 0.00 174.62 175.74 2jsf n GLN 28 N -3.03 1.85 0.00 3.99 1.13 -1.26 -3.89 117.38 116.17 2jsf n GLN 28 Ca 0.17 -2.00 0.00 0.00 -1.94 0.00 0.00 57.00 53.23 2jsf n GLN 28 Cb 0.61 -1.79 0.00 0.00 0.11 0.00 0.00 30.24 29.17 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 -0.58 0.00 -0.22 1.08 8.25 -1.26 -4.97 115.22 117.52 2jsf n HIS 29 Ca 0.39 -0.11 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 2jsf n HIS 29 Cb 1.28 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 32.38 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 -0.11 0.77 1.25 -1.41 0.00 -1.25 -5.07 105.19 99.37 2jsf n GLY 30 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.12 0.00 -3.94 2.61 -2.24 -1.26 -4.04 114.28 103.29 2jsf n THR 31 Ca 0.00 -0.60 -0.08 0.00 -2.27 0.00 0.00 64.05 61.09 2jsf n THR 31 Cb 0.00 -0.90 -0.08 0.00 -2.10 0.00 0.00 70.33 67.24 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 -0.25 0.17 -0.09 2.28 -4.36 0.11 -1.61 121.20 117.44 2jsf s ILE 32 Ca 0.20 -1.38 0.03 0.00 -0.26 0.00 0.00 60.65 59.24 2jsf s ILE 32 Cb -0.01 -1.35 0.01 0.00 1.25 0.00 0.00 42.46 42.36 2jsf s ILE 32 CO 0.13 -0.76 -0.16 -0.69 0.24 0.00 0.00 174.94 173.69 2jsf s VAL 33 N -3.74 1.50 -0.24 8.37 1.01 0.71 -1.07 120.40 126.93 2jsf s VAL 33 Ca 0.04 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 2jsf s VAL 33 Cb 0.05 -1.34 -0.00 0.00 0.00 0.00 0.00 36.38 35.09 2jsf s VAL 33 CO -0.10 0.44 -0.00 -0.51 0.00 0.00 0.00 175.10 174.92 2jsf s ILE 34 N 0.66 3.56 -0.32 2.22 -1.16 0.14 0.28 121.20 126.58 2jsf s ILE 34 Ca -0.14 -0.57 -0.10 0.00 -0.51 0.00 0.00 60.65 59.33 2jsf s ILE 34 Cb -0.16 -2.70 -0.00 0.00 0.61 0.00 0.00 42.46 40.20 2jsf s ILE 34 CO 0.04 0.30 0.17 -0.60 -2.81 0.00 0.00 174.94 172.04 2jsf s ARG 35 N 1.48 3.28 0.09 3.50 3.52 -1.10 0.15 118.95 129.86 2jsf s ARG 35 Ca 0.04 -0.77 0.01 0.00 -0.13 0.00 0.00 55.73 54.89 2jsf s ARG 35 Cb -0.15 -3.62 -0.00 0.00 -1.56 0.00 0.00 34.95 29.61 2jsf s ARG 35 CO -0.01 -0.46 0.04 1.33 -0.81 0.00 0.00 175.30 175.39 2jsf n VAL 36 N 5.00 0.00 -4.17 7.11 0.24 0.61 0.18 118.33 127.30 2jsf n VAL 36 Ca -0.13 -0.54 -0.23 0.00 -2.04 0.00 0.00 64.34 61.40 2jsf n VAL 36 Cb 0.49 0.22 -0.17 0.00 -1.47 0.00 0.00 33.84 32.91 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 -2.33 1.12 0.10 7.34 0.74 0.25 0.11 119.66 127.00 2jsf s GLN 37 Ca 0.06 -0.17 -0.31 0.00 0.05 0.00 0.00 55.36 54.99 2jsf s GLN 37 Cb 0.00 -1.12 -0.10 0.00 1.10 0.00 0.00 33.01 32.90 2jsf s GLN 37 CO 0.04 -0.12 1.86 -0.47 -0.55 0.00 0.00 175.29 176.05 2jsf s TYR 38 N 1.13 1.95 -0.05 1.67 5.04 -1.26 -1.00 117.35 124.83 2jsf s TYR 38 Ca -0.07 -0.12 0.17 0.00 -2.44 0.00 0.00 57.07 54.62 2jsf s TYR 38 Cb -0.14 -4.19 -0.26 0.00 0.35 0.00 0.00 41.96 37.72 2jsf s TYR 38 CO -0.01 -5.00 0.33 0.39 -1.34 0.00 0.00 175.55 169.91 2jsf n GLU 39 N 6.11 0.69 0.00 4.97 -0.58 0.11 -4.06 120.64 127.88 2jsf n GLU 39 Ca 0.18 -0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 2jsf n GLU 39 Cb 0.39 -1.43 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 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 1.58 -2.64 2.55 0.62 0.00 -0.40 -4.55 105.19 102.35 2jsf n GLY 40 Ca -0.08 -1.36 -0.29 0.00 0.00 0.00 0.00 46.02 44.29 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 -1.64 3.35 0.00 1.61 -1.08 -1.26 -4.83 116.67 112.82 2jsf s ASP 41 Ca 0.00 -1.92 0.00 0.00 -0.52 0.00 0.00 52.55 50.11 2jsf s ASP 41 Cb 0.00 -0.52 0.00 0.00 -1.46 0.00 0.00 42.92 40.94 2jsf s ASP 41 CO 0.00 -0.35 0.38 0.61 0.52 0.00 0.00 175.17 176.33 2jsf n GLY 42 N 4.42 -0.76 7.00 2.66 0.00 -1.26 -4.88 105.19 112.37 2jsf n GLY 42 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2jsf n GLY 42 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jsf n SER 43 N 0.00 -0.95 -4.51 1.61 2.88 -1.26 -3.98 113.62 107.41 2jsf n SER 43 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 2jsf n SER 43 Cb 0.52 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.81 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 0.11 -4.05 -1.46 -0.02 -1.24 -4.65 135.00 123.70 2jsf n PRO 44 Ca 0.00 -0.07 -0.09 0.00 -2.02 0.00 0.00 63.50 61.32 2jsf n PRO 44 Cb 0.00 -1.57 -0.09 0.00 -0.02 0.00 0.00 33.50 31.82 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 -3.98 3.68 -0.24 0.00 1.02 -1.26 -0.85 119.74 118.12 2jsf s LYS 46 Ca 0.17 0.36 -0.11 0.00 0.02 0.00 0.00 55.97 56.41 2jsf s LYS 46 Cb 0.06 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.93 2jsf s LYS 46 CO -0.02 -0.11 0.17 0.42 -0.92 0.00 0.00 175.35 174.89 2jsf s ILE 47 N -2.53 5.35 0.59 2.17 -1.09 0.76 0.31 121.20 126.77 2jsf s ILE 47 Ca 0.50 0.21 -0.20 0.00 -2.23 0.00 0.00 60.65 58.92 2jsf s ILE 47 Cb -0.10 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 2jsf s ILE 47 CO 0.37 0.34 1.32 -2.84 -1.23 0.00 0.00 174.94 172.90 2jsf s PRO 48 N 1.07 2.88 -0.01 2.79 0.02 -1.26 -3.66 135.00 136.83 2jsf s PRO 48 Ca 0.08 2.13 -0.21 0.00 0.02 0.00 0.00 61.00 63.02 2jsf s PRO 48 Cb -0.14 -2.06 0.04 0.00 0.02 0.00 0.00 34.50 32.37 2jsf s PRO 48 CO 0.05 -1.36 0.47 0.12 -0.33 0.00 0.00 177.00 175.94 2jsf s PHE 49 N -1.36 -0.37 -0.30 6.54 2.19 -1.26 -1.55 117.98 121.87 2jsf s PHE 49 Ca 0.77 0.54 -0.06 0.00 0.33 0.00 0.00 56.93 58.50 2jsf s PHE 49 Cb -0.38 0.24 0.17 0.00 -1.31 0.00 0.00 43.02 41.74 2jsf s PHE 49 CO 0.43 -0.52 0.71 -2.00 1.83 0.00 0.00 175.22 175.67 2jsf s GLU 50 N -1.66 0.49 -0.15 10.12 2.56 -0.57 -4.95 118.70 124.54 2jsf s GLU 50 Ca -0.10 1.01 -0.02 0.00 0.00 0.00 0.00 54.97 55.86 2jsf s GLU 50 Cb -0.02 0.58 -0.02 0.00 2.00 0.00 0.00 34.13 36.67 2jsf s GLU 50 CO 0.04 -0.40 -0.09 0.42 -0.56 0.00 0.00 175.26 174.67 2jsf s ILE 51 N 2.84 3.35 0.00 -3.70 1.01 -1.26 -0.95 121.20 122.50 2jsf s ILE 51 Ca 0.09 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.20 2jsf s ILE 51 Cb -0.13 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.89 2jsf s ILE 51 CO -0.19 0.50 0.00 1.15 0.00 0.00 0.00 174.94 176.40 2jsf n MET 52 N 3.77 0.00 -3.32 2.79 0.00 -1.26 -4.30 117.12 114.79 2jsf n MET 52 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.23 2jsf n MET 52 Cb 0.52 -0.00 0.03 0.00 0.00 0.00 0.00 33.22 33.77 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 -2.49 -6.18 0.00 3.17 -0.08 -1.26 -1.14 116.55 108.58 2jsf n ASP 53 Ca 0.00 0.07 0.00 0.00 -1.51 0.00 0.00 54.79 53.35 2jsf n ASP 53 Cb 0.00 -2.58 0.00 0.00 2.34 0.00 0.00 41.12 40.88 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 -0.11 0.53 -2.74 -2.67 -0.00 -1.26 -4.82 117.00 105.93 2jsf n LEU 54 Ca -0.03 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.84 2jsf n LEU 54 Cb 0.61 -1.13 0.01 0.00 -0.00 0.00 0.00 43.42 42.91 2jsf n LEU 54 CO 0.51 -0.38 -0.08 1.21 -0.00 0.00 0.00 177.39 178.64 2jsf n GLU 55 N -1.50 1.52 -0.97 1.96 0.00 -0.29 -4.88 120.64 116.48 2jsf n GLU 55 Ca 0.00 -3.52 -0.09 0.00 0.00 0.00 0.00 57.16 53.55 2jsf n GLU 55 Cb 0.12 -1.50 0.25 0.00 0.00 0.00 0.00 31.44 30.30 2jsf n GLU 55 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2jsf n LYS 56 N -0.07 3.16 -0.00 5.31 0.00 -1.26 -4.06 118.16 121.25 2jsf n LYS 56 Ca 0.17 -2.75 0.05 0.00 0.00 0.00 0.00 58.31 55.77 2jsf n LYS 56 Cb 0.75 -2.12 -0.06 0.00 0.00 0.00 0.00 35.03 33.61 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 -0.30 3.55 0.00 1.64 5.12 -1.26 -5.04 116.66 120.37 2jsf n ARG 57 Ca 0.41 -0.01 0.00 0.00 -1.93 0.00 0.00 57.85 56.32 2jsf n ARG 57 Cb 1.36 -0.98 0.00 0.00 -1.16 0.00 0.00 32.46 31.68 2jsf n ARG 57 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2jsf n HIS 58 N -1.27 0.00 -4.50 -1.55 -0.00 -1.26 -5.15 115.22 101.49 2jsf n HIS 58 Ca 0.02 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.88 2jsf n HIS 58 Cb 0.16 0.00 -0.16 0.00 -0.12 0.00 0.00 29.99 29.86 2jsf n HIS 58 CO 0.00 0.00 0.00 0.08 0.46 0.00 0.00 176.34 176.88 2jsf s VAL 59 N 1.48 1.86 0.00 3.57 1.01 -1.26 -5.01 120.40 122.05 2jsf s VAL 59 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.13 2jsf s VAL 59 Cb 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.72 2jsf s VAL 59 CO 0.00 0.51 0.00 -0.11 0.00 0.00 0.00 175.10 175.50 2jsf n LEU 60 N 4.22 0.00 -4.69 3.92 7.94 -1.26 -5.10 117.00 122.03 2jsf n LEU 60 Ca -0.20 0.00 -0.30 0.00 -1.11 0.00 0.00 56.01 54.41 2jsf n LEU 60 Cb 0.51 0.00 0.15 0.00 0.53 0.00 0.00 43.42 44.61 2jsf n LEU 60 CO 0.26 -0.17 0.65 -0.83 -1.11 0.00 0.00 177.39 176.19 2jsf s GLY 61 N -2.58 1.63 0.30 -3.96 0.00 -1.26 -4.47 107.32 96.96 2jsf s GLY 61 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 44.72 44.81 2jsf s GLY 61 CO 0.00 0.56 0.08 -1.60 0.00 0.00 0.00 173.10 172.14 2jsf s ARG 62 N -4.82 1.55 -0.14 2.90 3.00 0.71 -4.91 118.95 117.25 2jsf s ARG 62 Ca 0.64 -1.86 0.01 0.00 -1.00 0.00 0.00 55.73 53.52 2jsf s ARG 62 Cb -0.20 -0.56 0.02 0.00 0.00 0.00 0.00 34.95 34.22 2jsf s ARG 62 CO 0.58 -0.26 -0.15 -1.17 0.00 0.00 0.00 175.30 174.30 2jsf s LEU 63 N -3.41 1.74 0.19 -0.88 1.98 -1.26 0.16 118.68 117.20 2jsf s LEU 63 Ca 0.37 -0.49 0.17 0.00 -2.89 0.00 0.00 54.13 51.29 2jsf s LEU 63 Cb 0.08 -1.19 -0.01 0.00 0.66 0.00 0.00 46.19 45.73 2jsf s LEU 63 CO 0.15 -0.03 1.16 0.40 -1.89 0.00 0.00 176.35 176.14 2jsf h ILE 64 N 6.01 0.57 -0.72 6.68 5.03 0.14 -3.25 117.51 131.97 2jsf h ILE 64 Ca -0.37 -1.92 -0.51 0.00 -0.12 0.00 0.00 64.86 61.94 2jsf h ILE 64 Cb 1.15 2.14 -0.35 0.00 -3.03 0.00 0.00 36.82 36.73 2jsf h ILE 64 CO 0.53 0.33 -0.39 0.41 -0.68 0.00 0.00 178.15 178.34 2jsf n THR 65 N -3.02 2.74 -0.40 -0.27 -1.04 -0.11 -4.94 114.28 107.24 2jsf n THR 65 Ca -0.03 -3.76 -0.15 0.00 -2.04 0.00 0.00 64.05 58.07 2jsf n THR 65 Cb 0.74 -1.01 -0.02 0.00 -1.82 0.00 0.00 70.33 68.23 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 -0.82 0.15 -3.17 12.58 0.31 -1.23 -1.57 118.33 124.59 2jsf n VAL 66 Ca 0.45 -0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.61 2jsf n VAL 66 Cb 0.90 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.83 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 0.44 -2.51 -3.20 4.52 0.23 -1.26 -4.87 115.26 108.62 2jsf n ASN 67 Ca 0.05 -0.51 -0.14 0.00 -0.53 0.00 0.00 54.58 53.45 2jsf n ASN 67 Cb 0.03 -0.83 0.14 0.00 -2.08 0.00 0.00 39.78 37.04 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 -1.59 -2.52 -3.85 -0.53 -0.04 -0.61 -3.97 135.00 121.89 2jsf n PRO 68 Ca -0.17 -0.68 -0.12 0.00 -0.04 0.00 0.00 63.50 62.49 2jsf n PRO 68 Cb 0.37 -1.02 -0.11 0.00 -0.04 0.00 0.00 33.50 32.70 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 -1.55 0.05 0.21 0.52 1.01 -1.26 0.27 121.20 120.45 2jsf s ILE 69 Ca 0.31 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.59 2jsf s ILE 69 Cb -0.06 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 42.01 2jsf s ILE 69 CO 0.26 -0.23 0.27 -0.69 0.00 0.00 0.00 174.94 174.55 2jsf s VAL 70 N -0.82 4.97 -0.12 2.92 1.01 -0.03 -4.92 120.40 123.42 2jsf s VAL 70 Ca -0.09 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 60.93 2jsf s VAL 70 Cb -0.05 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 2jsf s VAL 70 CO 0.01 -0.24 0.18 0.41 0.00 0.00 0.00 175.10 175.47 2jsf n THR 71 N -0.95 0.00 -1.50 3.92 -1.04 -1.26 -2.47 114.28 110.97 2jsf n THR 71 Ca -0.08 -0.23 0.01 0.00 -2.04 0.00 0.00 64.05 61.71 2jsf n THR 71 Cb 0.56 0.61 0.01 0.00 -1.82 0.00 0.00 70.33 69.69 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 -1.50 0.30 -0.39 -2.82 1.02 -1.26 -3.92 120.64 112.08 2jsf n GLU 72 Ca -0.00 -1.05 0.00 0.00 -0.02 0.00 0.00 57.16 56.09 2jsf n GLU 72 Cb 0.14 -0.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 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 -0.18 0.00 0.00 3.49 4.81 -1.26 -4.56 118.16 120.45 2jsf n LYS 73 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2jsf n LYS 73 Cb 0.61 -2.94 0.00 0.00 0.02 0.00 0.00 35.03 32.72 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 0.09 -4.61 3.14 2.03 -1.26 -4.12 116.55 111.82 2jsf n ASP 74 Ca 0.00 -0.86 -0.43 0.00 0.52 0.00 0.00 54.79 54.02 2jsf n ASP 74 Cb 0.00 0.02 -0.02 0.00 -0.72 0.00 0.00 41.12 40.39 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 6.32 -0.04 1.67 0.15 -1.26 -4.63 113.70 115.90 2jsf s SER 75 Ca 0.00 1.20 -0.38 0.00 0.70 0.00 0.00 55.95 57.47 2jsf s SER 75 Cb 0.00 -2.54 -0.16 0.00 -1.71 0.00 0.00 66.02 61.61 2jsf s SER 75 CO 0.00 -1.37 1.49 -2.65 1.20 0.00 0.00 173.24 171.91 2jsf n PRO 76 N 7.89 1.21 -4.83 5.44 -0.02 -1.26 -4.30 135.00 139.13 2jsf n PRO 76 Ca 0.18 0.44 -0.33 0.00 -2.02 0.00 0.00 63.50 61.77 2jsf n PRO 76 Cb 0.47 -2.10 -0.14 0.00 -0.02 0.00 0.00 33.50 31.70 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 1.60 3.02 -0.18 -1.45 1.01 0.31 -4.85 120.40 119.85 2jsf s VAL 77 Ca 0.89 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 2jsf s VAL 77 Cb -0.98 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 2jsf s VAL 77 CO 0.53 0.55 0.15 0.20 0.00 0.00 0.00 175.10 176.52 2jsf s ASN 78 N -0.02 6.26 -0.21 3.32 0.01 -1.23 -0.28 114.94 122.78 2jsf s ASN 78 Ca -0.04 0.30 -0.02 0.00 -0.71 0.00 0.00 52.86 52.39 2jsf s ASN 78 Cb -0.14 -2.09 0.00 0.00 0.41 0.00 0.00 41.25 39.42 2jsf s ASN 78 CO 0.04 0.21 -0.08 -0.63 -1.51 0.00 0.00 177.10 175.13 2jsf s ILE 79 N 0.12 3.01 -0.29 0.60 1.01 0.40 -4.77 121.20 121.28 2jsf s ILE 79 Ca 0.10 -0.64 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 2jsf s ILE 79 Cb -0.11 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 39.97 2jsf s ILE 79 CO -0.00 0.43 0.53 -0.70 0.00 0.00 0.00 174.94 175.20 2jsf s GLU 80 N 1.42 3.95 0.06 2.79 2.56 -1.25 -0.68 118.70 127.55 2jsf s GLU 80 Ca 0.05 0.21 0.02 0.00 0.00 0.00 0.00 54.97 55.26 2jsf s GLU 80 Cb -0.14 -3.69 -0.03 0.00 2.00 0.00 0.00 34.13 32.27 2jsf s GLU 80 CO -0.06 -0.44 -0.08 0.00 -0.56 0.00 0.00 175.26 174.13 2jsf s ALA 81 N 2.37 0.68 -0.48 6.30 0.00 -0.24 0.17 121.76 130.55 2jsf s ALA 81 Ca 0.21 -0.92 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 2jsf s ALA 81 Cb -0.15 0.07 0.10 0.00 0.00 0.00 0.00 23.12 23.14 2jsf s ALA 81 CO 0.10 -0.07 0.40 -2.00 0.00 0.00 0.00 175.76 174.19 2jsf s GLU 82 N -2.16 2.83 0.55 0.00 2.12 0.43 0.03 118.70 122.51 2jsf s GLU 82 Ca -0.04 -1.55 -0.18 0.00 0.36 0.00 0.00 54.97 53.55 2jsf s GLU 82 Cb -0.06 -4.09 -0.05 0.00 0.26 0.00 0.00 34.13 30.19 2jsf s GLU 82 CO -0.01 -1.14 1.09 -1.25 -0.54 0.00 0.00 175.26 173.41 2jsf s PRO 83 N 1.54 3.39 0.00 4.30 0.04 -1.26 0.25 135.00 143.27 2jsf s PRO 83 Ca 0.04 1.44 0.00 0.00 0.04 0.00 0.00 61.00 62.52 2jsf s PRO 83 Cb -0.26 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2jsf s PRO 83 CO 0.03 -0.79 0.47 -0.35 0.04 0.00 0.00 177.00 176.40 2jsf n PRO 84 N -1.50 0.00 -3.60 0.56 -0.04 -1.26 -4.84 135.00 124.32 2jsf n PRO 84 Ca 0.10 0.04 -0.06 0.00 -0.04 0.00 0.00 63.50 63.54 2jsf n PRO 84 Cb 0.52 -0.97 -0.04 0.00 -0.04 0.00 0.00 33.50 32.96 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 -1.01 -0.21 0.00 0.54 0.08 -1.26 -5.01 117.98 111.10 2jsf s PHE 85 Ca 0.00 0.34 0.00 0.00 0.12 0.00 0.00 56.93 57.39 2jsf s PHE 85 Cb 0.00 0.48 0.00 0.00 -0.57 0.00 0.00 43.02 42.93 2jsf s PHE 85 CO 0.00 -0.22 0.00 0.41 -0.10 0.00 0.00 175.22 175.31 2jsf n GLY 86 N 0.52 -1.08 3.20 4.36 0.00 0.12 -4.79 105.19 107.52 2jsf n GLY 86 Ca -0.05 -1.21 -0.27 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.64 -3.26 0.00 1.61 5.75 -1.26 -1.50 116.55 117.26 2jsf n ASP 87 Ca 0.00 -0.54 0.00 0.00 -0.01 0.00 0.00 54.79 54.24 2jsf n ASP 87 Cb 0.00 -0.97 0.00 0.00 -1.03 0.00 0.00 41.12 39.12 2jsf n ASP 87 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2jsf n SER 88 N -3.86 0.00 -4.24 -1.12 7.64 0.43 -4.76 113.62 107.71 2jsf n SER 88 Ca 0.08 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.54 2jsf n SER 88 Cb 0.52 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.64 2jsf n SER 88 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2jsf s TYR 89 N -0.14 3.38 -0.04 1.43 2.02 -1.25 0.26 117.35 123.01 2jsf s TYR 89 Ca 0.00 -1.72 -0.30 0.00 -0.37 0.00 0.00 57.07 54.68 2jsf s TYR 89 Cb 0.00 -3.58 -0.04 0.00 -0.40 0.00 0.00 41.96 37.94 2jsf s TYR 89 CO 0.00 -1.00 1.27 0.42 -1.57 0.00 0.00 175.55 174.66 2jsf s ILE 90 N 1.42 4.08 0.02 2.71 1.09 0.26 -4.42 121.20 126.37 2jsf s ILE 90 Ca 0.05 1.43 -0.08 0.00 -1.10 0.00 0.00 60.65 60.95 2jsf s ILE 90 Cb -0.27 -3.92 -0.05 0.00 -1.06 0.00 0.00 42.46 37.16 2jsf s ILE 90 CO 0.00 -0.01 0.30 -0.63 -0.10 0.00 0.00 174.94 174.51 2jsf s ILE 91 N 2.32 5.24 -0.02 2.92 1.01 -0.12 -0.49 121.20 132.05 2jsf s ILE 91 Ca 0.58 0.29 0.04 0.00 0.00 0.00 0.00 60.65 61.56 2jsf s ILE 91 Cb -0.27 -3.59 -0.00 0.00 0.01 0.00 0.00 42.46 38.61 2jsf s ILE 91 CO 0.23 0.38 -0.13 -0.63 0.00 0.00 0.00 174.94 174.79 2jsf s ILE 92 N -1.29 1.04 0.00 2.92 1.01 -0.61 -1.51 121.20 122.75 2jsf s ILE 92 Ca 0.28 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.39 2jsf s ILE 92 Cb -0.14 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.44 2jsf s ILE 92 CO 0.16 0.30 0.00 0.61 0.00 0.00 0.00 174.94 176.01 2jsf n GLY 93 N 2.99 -1.76 3.39 6.18 0.00 -0.60 0.27 105.19 115.66 2jsf n GLY 93 Ca -0.16 -1.58 -0.31 0.00 0.00 0.00 0.00 46.02 43.97 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 2.44 0.00 1.61 -7.23 -1.26 -4.37 120.40 111.59 2jsf s VAL 94 Ca 0.00 -1.24 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 2jsf s VAL 94 Cb 0.00 -1.97 0.00 0.00 0.56 0.00 0.00 36.38 34.97 2jsf s VAL 94 CO 0.00 0.39 0.00 -0.62 -0.31 0.00 0.00 175.10 174.56 2jsf n GLU 95 N 1.79 0.00 -1.01 4.82 1.02 -1.26 -0.51 120.64 125.49 2jsf n GLU 95 Ca -0.17 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 56.83 2jsf n GLU 95 Cb 0.52 0.00 -0.06 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 -2.91 0.02 -0.51 3.49 -0.04 -1.26 -1.74 135.00 132.05 2jsf n PRO 96 Ca 0.00 -0.66 0.00 0.00 -0.04 0.00 0.00 63.50 62.80 2jsf n PRO 96 Cb 0.00 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.37 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 4.76 1.11 3.10 0.55 0.00 -1.21 -4.61 105.19 108.90 2jsf n GLY 97 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.00 -0.19 -2.96 1.61 7.27 0.34 -4.38 117.38 117.07 2jsf n GLN 98 Ca 0.00 -0.04 -0.19 0.00 0.07 0.00 0.00 57.00 56.83 2jsf n GLN 98 Cb 0.00 -1.22 0.05 0.00 2.41 0.00 0.00 30.24 31.47 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 5.47 3.30 -0.18 1.69 1.43 0.78 -4.88 118.68 126.30 2jsf s LEU 99 Ca 0.44 -0.60 -0.10 0.00 -1.03 0.00 0.00 54.13 52.84 2jsf s LEU 99 Cb -0.12 -2.11 0.06 0.00 0.03 0.00 0.00 46.19 44.05 2jsf s LEU 99 CO 0.75 -1.16 0.43 -0.75 0.23 0.00 0.00 176.35 175.85 2jsf s LYS 100 N -4.60 0.42 -0.08 1.70 2.20 -1.26 -1.58 119.74 116.54 2jsf s LYS 100 Ca 0.59 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 57.02 2jsf s LYS 100 Cb -0.08 -0.01 0.02 0.00 -1.51 0.00 0.00 37.83 36.26 2jsf s LYS 100 CO 0.37 -0.15 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.64 2jsf s LEU 101 N 1.38 1.17 -0.09 5.43 1.02 0.35 -4.93 118.68 123.01 2jsf s LEU 101 Ca -0.09 -0.22 -0.23 0.00 0.02 0.00 0.00 54.13 53.61 2jsf s LEU 101 Cb -0.08 -0.67 -0.03 0.00 0.02 0.00 0.00 46.19 45.43 2jsf s LEU 101 CO -0.13 -0.09 0.69 0.21 0.02 0.00 0.00 176.35 177.05 2jsf s ASN 102 N 1.40 6.94 0.22 2.29 3.04 -1.26 0.92 114.94 128.50 2jsf s ASN 102 Ca -0.02 1.13 0.00 0.00 0.04 0.00 0.00 52.86 54.02 2jsf s ASN 102 Cb -0.13 -2.40 -0.05 0.00 -1.54 0.00 0.00 41.25 37.13 2jsf s ASN 102 CO -0.04 -0.14 0.09 0.86 -3.04 0.00 0.00 177.10 174.84 2jsf s TRP 103 N 0.98 1.33 0.03 0.43 -0.11 0.72 -4.90 118.94 117.42 2jsf s TRP 103 Ca 0.36 -1.23 0.01 0.00 1.22 0.00 0.00 56.10 56.46 2jsf s TRP 103 Cb -0.17 -0.74 -0.02 0.00 -1.50 0.00 0.00 33.47 31.04 2jsf s TRP 103 CO 0.17 -0.44 -0.06 -0.59 -4.62 0.00 0.00 176.95 171.41 2jsf s PHE 104 N -3.90 0.49 -0.06 5.86 -0.71 -1.26 0.16 117.98 118.57 2jsf s PHE 104 Ca 0.36 -0.49 -0.05 0.00 -1.04 0.00 0.00 56.93 55.71 2jsf s PHE 104 Cb 0.07 -0.31 0.02 0.00 -1.21 0.00 0.00 43.02 41.59 2jsf s PHE 104 CO 0.11 -0.12 0.15 0.21 -1.34 0.00 0.00 175.22 174.23 2jsf s LYS 105 N -1.47 0.16 0.00 1.99 2.36 -0.56 -4.90 119.74 117.32 2jsf s LYS 105 Ca -0.12 0.23 -0.27 0.00 -2.55 0.00 0.00 55.97 53.26 2jsf s LYS 105 Cb -0.10 0.05 0.06 0.00 -1.05 0.00 0.00 37.83 36.79 2jsf s LYS 105 CO -0.00 -0.04 0.61 -1.59 1.55 0.00 0.00 175.35 175.88 2jsf s LYS 106 N 0.23 1.06 0.00 4.03 -2.85 -1.26 0.13 119.74 121.07 2jsf s LYS 106 Ca -0.01 0.03 0.00 0.00 -1.00 0.00 0.00 55.97 54.99 2jsf s LYS 106 Cb -0.02 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.24 2jsf s LYS 106 CO -0.01 -0.36 0.00 0.41 0.10 0.00 0.00 175.35 175.49 2jsf n GLY 107 N 0.66 -0.54 3.70 0.59 0.00 -1.26 -5.09 105.19 103.26 2jsf n GLY 107 Ca -0.19 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.79 2jsf n GLY 107 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jsf n SER 108 N 0.00 3.28 -3.02 1.61 2.88 -1.26 -4.95 113.62 112.16 2jsf n SER 108 Ca 0.00 1.14 0.04 0.00 -1.33 0.00 0.00 58.87 58.72 2jsf n SER 108 Cb 0.00 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 61.96 2jsf n SER 108 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2jsf s SER 109 N 0.44 -0.56 0.00 -3.46 1.04 -1.26 -5.07 113.70 104.83 2jsf s SER 109 Ca 0.67 -0.08 -0.11 0.00 0.48 0.00 0.00 55.95 56.92 2jsf s SER 109 Cb -0.58 1.07 -0.06 0.00 0.10 0.00 0.00 66.02 66.56 2jsf s SER 109 CO 0.48 -0.09 0.81 0.25 0.98 0.00 0.00 173.24 175.68 2jsf h LEU 110 N 6.64 -0.32 -2.49 2.42 6.46 -2.07 -3.48 115.31 122.47 2jsf h LEU 110 Ca -0.06 0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.66 2jsf h LEU 110 Cb 1.20 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 2jsf h LEU 110 CO -0.06 -0.16 -0.75 1.21 -0.62 0.00 0.00 178.44 178.06 2jsf n GLU 111 N -3.42 -2.47 0.00 1.25 0.00 -1.26 -4.98 120.64 109.75 2jsf n GLU 111 Ca -0.05 2.11 0.00 0.00 0.00 0.00 0.00 57.16 59.23 2jsf n GLU 111 Cb 0.15 -4.82 0.00 0.00 0.00 0.00 0.00 31.44 26.77 2jsf n GLU 111 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2jsf n HIS 112 N 0.06 0.00 -0.53 4.31 -0.00 -1.26 -5.10 115.22 112.71 2jsf n HIS 112 Ca 0.05 0.00 -0.30 0.00 0.46 0.00 0.00 57.72 57.94 2jsf n HIS 112 Cb 0.38 0.18 0.27 0.00 -0.12 0.00 0.00 29.99 30.70 2jsf n HIS 112 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2jsf s HIS 113 N -1.58 0.05 -0.82 1.57 3.76 -1.26 -4.93 115.29 112.07 2jsf s HIS 113 Ca 0.00 0.71 -0.15 0.00 -0.15 0.00 0.00 55.06 55.47 2jsf s HIS 113 Cb 0.00 -3.02 0.21 0.00 1.11 0.00 0.00 32.58 30.87 2jsf s HIS 113 CO 0.00 -4.55 0.79 -1.58 -0.85 0.00 0.00 174.74 168.55 2jsf s HIS 114 N -2.43 3.68 -0.08 1.40 2.46 -1.26 -5.03 115.29 114.02 2jsf s HIS 114 Ca 0.69 -1.90 -0.24 0.00 0.47 0.00 0.00 55.06 54.08 2jsf s HIS 114 Cb -0.16 -3.87 -0.03 0.00 -0.13 0.00 0.00 32.58 28.39 2jsf s HIS 114 CO 0.59 -1.04 0.72 -1.58 -2.47 0.00 0.00 174.74 170.96 2jsf s HIS 115 N 0.48 3.55 -0.28 3.88 5.04 -1.26 -4.95 115.29 121.75 2jsf s HIS 115 Ca 0.19 1.24 0.15 0.00 -1.54 0.00 0.00 55.06 55.10 2jsf s HIS 115 Cb -0.10 -2.83 0.48 0.00 0.04 0.00 0.00 32.58 30.16 2jsf s HIS 115 CO -0.08 0.04 1.14 1.58 -2.34 0.00 0.00 174.74 175.08 2jsf n HIS 116 N 3.99 2.04 0.74 3.88 -0.00 -1.26 -5.22 115.22 119.39 2jsf n HIS 116 Ca -0.01 -2.25 0.06 0.00 0.46 0.00 0.00 57.72 55.98 2jsf n HIS 116 Cb 0.51 -0.28 0.35 0.00 -0.12 0.00 0.00 29.99 30.45 2jsf n HIS 116 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38