#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fjf s VAL 2 N 0.00 2.18 -0.02 6.31 1.01 -1.26 -4.24 120.40 124.38 2fjf s VAL 2 Ca 0.00 0.15 -0.29 0.00 0.00 0.00 0.00 61.98 61.84 2fjf s VAL 2 Cb 0.00 -3.10 0.10 0.00 0.00 0.00 0.00 36.38 33.39 2fjf s VAL 2 CO 0.00 0.03 0.90 0.00 0.00 0.00 0.00 175.10 176.03 2fjf s GLN 3 N -0.61 0.80 -0.15 2.72 -2.07 -0.60 -4.99 119.66 114.76 2fjf s GLN 3 Ca 0.62 -0.25 0.01 0.00 -1.82 0.00 0.00 55.36 53.91 2fjf s GLN 3 Cb -0.47 0.37 0.02 0.00 -1.09 0.00 0.00 33.01 31.84 2fjf s GLN 3 CO 0.48 -0.34 -0.16 -0.51 -1.32 0.00 0.00 175.29 173.45 2fjf s LEU 4 N -2.35 1.78 -0.20 2.60 1.43 -1.26 -1.41 118.68 119.27 2fjf s LEU 4 Ca 0.04 -0.51 -0.01 0.00 -1.03 0.00 0.00 54.13 52.63 2fjf s LEU 4 Cb -0.01 -1.22 0.01 0.00 0.03 0.00 0.00 46.19 45.00 2fjf s LEU 4 CO -0.08 -0.03 -0.13 -0.69 0.23 0.00 0.00 176.35 175.65 2fjf s VAL 5 N 1.34 2.63 0.20 -1.59 1.01 0.42 -3.93 120.40 120.47 2fjf s VAL 5 Ca 0.02 -0.75 0.03 0.00 0.00 0.00 0.00 61.98 61.28 2fjf s VAL 5 Cb -0.13 -2.15 -0.03 0.00 0.00 0.00 0.00 36.38 34.06 2fjf s VAL 5 CO -0.09 0.49 0.34 -1.61 0.00 0.00 0.00 175.10 174.23 2fjf s GLU 6 N 1.37 3.45 0.37 2.72 2.02 -1.26 -0.52 118.70 126.86 2fjf s GLU 6 Ca 0.05 -0.60 -0.16 0.00 0.02 0.00 0.00 54.97 54.28 2fjf s GLU 6 Cb -0.14 -2.90 0.05 0.00 0.10 0.00 0.00 34.13 31.25 2fjf s GLU 6 CO -0.09 0.45 0.79 -1.54 0.02 0.00 0.00 175.26 174.89 2fjf s SER 7 N -3.55 -0.01 0.00 -0.19 1.04 -0.95 -4.88 113.70 105.16 2fjf s SER 7 Ca 0.35 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.68 2fjf s SER 7 Cb -0.10 0.84 0.00 0.00 0.10 0.00 0.00 66.02 66.86 2fjf s SER 7 CO 0.29 -1.66 0.00 0.61 0.98 0.00 0.00 173.24 173.47 2fjf n GLY 8 N -0.53 1.11 3.71 7.32 0.00 -1.26 -1.55 105.19 113.99 2fjf n GLY 8 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 2fjf n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fjf s GLY 9 N -2.25 1.83 0.00 -0.02 0.00 -1.26 -4.58 107.32 101.03 2fjf s GLY 9 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 44.72 45.30 2fjf s GLY 9 CO 0.00 0.98 0.00 0.61 0.00 0.00 0.00 173.10 174.69 2fjf n GLY 10 N -0.06 -1.29 3.65 0.20 0.00 -0.53 -4.91 105.19 102.25 2fjf n GLY 10 Ca 0.12 -0.96 -0.37 0.00 0.00 0.00 0.00 46.02 44.80 2fjf n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2fjf s LEU 11 N 0.00 4.10 0.16 0.99 0.20 -1.26 -1.91 118.68 120.96 2fjf s LEU 11 Ca 0.00 0.12 0.02 0.00 0.69 0.00 0.00 54.13 54.96 2fjf s LEU 11 Cb 0.00 -2.14 -0.05 0.00 -0.43 0.00 0.00 46.19 43.57 2fjf s LEU 11 CO 0.00 0.03 -0.02 0.68 -0.29 0.00 0.00 176.35 176.76 2fjf s VAL 12 N 1.21 0.75 0.38 1.68 -7.23 -0.78 -5.02 120.40 111.39 2fjf s VAL 12 Ca 0.08 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.08 2fjf s VAL 12 Cb -0.14 -2.05 -0.10 0.00 0.56 0.00 0.00 36.38 34.65 2fjf s VAL 12 CO 0.06 -0.54 0.87 -1.10 -0.31 0.00 0.00 175.10 174.07 2fjf s GLN 13 N -3.88 4.17 0.43 4.82 -1.52 -1.25 -1.34 119.66 121.08 2fjf s GLN 13 Ca 0.22 0.97 -0.23 0.00 -1.95 0.00 0.00 55.36 54.37 2fjf s GLN 13 Cb 0.06 -2.32 -0.12 0.00 -0.22 0.00 0.00 33.01 30.41 2fjf s GLN 13 CO 0.03 0.06 0.71 -2.30 -0.25 0.00 0.00 175.29 173.54 2fjf n PRO 14 N -0.45 0.81 0.00 2.91 -0.02 -1.26 -0.60 135.00 136.39 2fjf n PRO 14 Ca 0.05 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2fjf n PRO 14 Cb 0.53 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.32 2fjf n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fjf n GLY 15 N 1.58 2.50 2.33 -1.23 0.00 0.16 -4.92 105.19 105.60 2fjf n GLY 15 Ca 0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.96 2fjf n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fjf n GLY 16 N -2.00 -1.22 3.06 -0.02 0.00 0.23 -4.12 105.19 101.13 2fjf n GLY 16 Ca 0.00 -1.72 -0.08 0.00 0.00 0.00 0.00 46.02 44.22 2fjf n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fjf s SER 17 N -3.90 0.50 0.07 1.61 1.04 -1.26 -1.20 113.70 110.56 2fjf s SER 17 Ca 0.45 -0.83 -0.11 0.00 0.48 0.00 0.00 55.95 55.94 2fjf s SER 17 Cb -0.01 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.27 2fjf s SER 17 CO 0.31 -0.48 0.24 -0.76 0.98 0.00 0.00 173.24 173.53 2fjf s LEU 18 N -2.44 1.17 -0.16 2.42 1.43 -0.13 -5.01 118.68 115.96 2fjf s LEU 18 Ca -0.00 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 2fjf s LEU 18 Cb 0.02 1.17 0.03 0.00 0.03 0.00 0.00 46.19 47.44 2fjf s LEU 18 CO -0.06 -0.67 -0.12 -0.60 0.23 0.00 0.00 176.35 175.13 2fjf s ARG 19 N -3.20 2.10 0.16 1.70 3.52 -1.26 -0.42 118.95 121.55 2fjf s ARG 19 Ca -0.00 -0.60 -0.11 0.00 -0.13 0.00 0.00 55.73 54.89 2fjf s ARG 19 Cb 0.02 -2.13 -0.07 0.00 -1.56 0.00 0.00 34.95 31.21 2fjf s ARG 19 CO -0.07 -0.30 0.49 -0.51 -0.81 0.00 0.00 175.30 174.10 2fjf s LEU 20 N 1.49 4.28 0.17 -0.88 1.02 -0.14 -4.52 118.68 120.11 2fjf s LEU 20 Ca 0.03 0.91 0.08 0.00 0.02 0.00 0.00 54.13 55.17 2fjf s LEU 20 Cb -0.14 -3.33 -0.04 0.00 0.02 0.00 0.00 46.19 42.70 2fjf s LEU 20 CO -0.10 0.06 -0.17 -0.94 0.02 0.00 0.00 176.35 175.22 2fjf s SER 21 N -2.00 2.65 -0.35 2.29 1.04 -0.59 -0.99 113.70 115.75 2fjf s SER 21 Ca 0.40 -0.90 0.01 0.00 0.48 0.00 0.00 55.95 55.94 2fjf s SER 21 Cb -0.13 -0.15 0.14 0.00 0.10 0.00 0.00 66.02 65.98 2fjf s SER 21 CO 0.20 -0.07 0.26 0.00 0.98 0.00 0.00 173.24 174.62 2fjf s ALA 23 N 1.32 3.32 -0.03 0.00 0.00 0.32 -1.24 121.76 125.45 2fjf s ALA 23 Ca 0.17 0.30 -0.05 0.00 0.00 0.00 0.00 51.96 52.38 2fjf s ALA 23 Cb -0.20 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 2fjf s ALA 23 CO -0.04 -0.34 0.19 0.00 0.00 0.00 0.00 175.76 175.57 2fjf s ALA 24 N 1.34 3.92 0.03 0.00 0.00 -0.54 -0.44 121.76 126.06 2fjf s ALA 24 Ca 0.45 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.72 2fjf s ALA 24 Cb -0.19 -1.94 -0.02 0.00 0.00 0.00 0.00 23.12 20.97 2fjf s ALA 24 CO 0.21 0.70 -0.04 -1.54 0.00 0.00 0.00 175.76 175.08 2fjf s SER 25 N -1.68 0.43 0.00 0.00 1.04 -0.50 -4.87 113.70 108.13 2fjf s SER 25 Ca 0.24 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.19 2fjf s SER 25 Cb -0.13 0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.07 2fjf s SER 25 CO 0.15 -0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.73 2fjf n GLY 26 N 1.65 1.16 3.83 7.32 0.00 -1.26 -1.56 105.19 116.33 2fjf n GLY 26 Ca -0.23 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 2fjf n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2fjf s PHE 27 N -3.15 -0.02 -0.42 1.61 -0.71 -1.26 -4.67 117.98 109.36 2fjf s PHE 27 Ca 0.00 -0.53 -0.11 0.00 -1.04 0.00 0.00 56.93 55.25 2fjf s PHE 27 Cb 0.00 0.77 0.06 0.00 -1.21 0.00 0.00 43.02 42.65 2fjf s PHE 27 CO 0.00 -1.37 0.27 0.99 -1.34 0.00 0.00 175.22 173.77 2fjf s THR 28 N -3.01 4.49 0.48 -4.49 2.01 -1.26 -4.94 115.64 108.92 2fjf s THR 28 Ca 0.14 -1.21 0.38 0.00 0.31 0.00 0.00 61.69 61.31 2fjf s THR 28 Cb -0.05 -3.68 0.58 0.00 0.01 0.00 0.00 72.50 69.36 2fjf s THR 28 CO 0.09 -0.45 1.59 0.16 -0.69 0.00 0.00 174.62 175.32 2fjf h ILE 29 N 5.97 0.04 0.00 1.82 -0.00 -1.94 0.71 117.51 124.12 2fjf h ILE 29 Ca -0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 64.86 64.61 2fjf h ILE 29 Cb 1.09 0.02 0.00 0.00 -0.00 0.00 0.00 36.82 37.93 2fjf h ILE 29 CO 0.76 0.00 0.00 -1.54 -0.00 0.00 0.00 178.15 177.37 2fjf n SER 30 N -4.45 0.30 0.00 2.16 3.41 -1.26 -1.32 113.62 112.45 2fjf n SER 30 Ca 0.41 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.69 2fjf n SER 30 Cb 1.68 -0.62 0.60 0.00 -0.26 0.00 0.00 64.21 65.61 2fjf n SER 30 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2fjf n ASP 31 N -1.80 0.00 -4.26 4.04 8.00 0.24 -0.04 116.55 122.73 2fjf n ASP 31 Ca 0.05 0.29 -0.15 0.00 0.71 0.00 0.00 54.79 55.69 2fjf n ASP 31 Cb 0.30 -0.42 -0.10 0.00 -0.02 0.00 0.00 41.12 40.88 2fjf n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2fjf s TYR 32 N -2.85 1.31 0.37 1.24 1.51 -0.44 -4.82 117.35 113.67 2fjf s TYR 32 Ca 0.17 -0.76 -0.27 0.00 -1.01 0.00 0.00 57.07 55.20 2fjf s TYR 32 Cb 0.17 -0.67 -0.09 0.00 -0.11 0.00 0.00 41.96 41.27 2fjf s TYR 32 CO 0.45 0.09 1.24 -1.58 -1.11 0.00 0.00 175.55 174.64 2fjf s TRP 33 N -3.32 3.04 -0.22 2.71 0.52 0.41 -3.28 118.94 118.80 2fjf s TRP 33 Ca 0.18 1.49 -0.03 0.00 0.02 0.00 0.00 56.10 57.76 2fjf s TRP 33 Cb 0.03 -3.54 -0.00 0.00 -1.15 0.00 0.00 33.47 28.80 2fjf s TRP 33 CO 0.01 -1.62 -0.06 0.42 0.02 0.00 0.00 176.95 175.73 2fjf s ILE 34 N -1.27 3.21 0.11 2.03 -1.09 -0.50 -1.60 121.20 122.09 2fjf s ILE 34 Ca 0.54 -0.58 -0.05 0.00 -2.23 0.00 0.00 60.65 58.32 2fjf s ILE 34 Cb -0.35 -2.46 -0.05 0.00 -1.58 0.00 0.00 42.46 38.01 2fjf s ILE 34 CO 0.46 0.42 0.35 -1.00 -1.23 0.00 0.00 174.94 173.94 2fjf s HIS 35 N 1.45 3.51 -0.20 3.97 3.76 -0.07 -1.56 115.29 126.15 2fjf s HIS 35 Ca 0.05 0.57 -0.04 0.00 -0.15 0.00 0.00 55.06 55.50 2fjf s HIS 35 Cb -0.14 -2.01 -0.02 0.00 1.11 0.00 0.00 32.58 31.52 2fjf s HIS 35 CO -0.04 0.48 -0.03 -1.58 -0.85 0.00 0.00 174.74 172.72 2fjf s TRP 36 N -1.56 2.99 -0.03 1.40 0.52 0.21 -0.83 118.94 121.65 2fjf s TRP 36 Ca 0.37 -0.60 0.05 0.00 0.02 0.00 0.00 56.10 55.94 2fjf s TRP 36 Cb -0.13 -2.06 -0.01 0.00 -1.15 0.00 0.00 33.47 30.12 2fjf s TRP 36 CO 0.23 -0.32 -0.17 0.08 0.02 0.00 0.00 176.95 176.79 2fjf s VAL 37 N 1.05 1.41 0.16 4.03 1.01 0.42 -0.86 120.40 127.62 2fjf s VAL 37 Ca 0.01 -0.73 0.08 0.00 0.00 0.00 0.00 61.98 61.34 2fjf s VAL 37 Cb -0.15 -1.19 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2fjf s VAL 37 CO 0.01 0.40 -0.16 0.00 0.00 0.00 0.00 175.10 175.35 2fjf s ARG 38 N -0.19 1.23 -0.24 2.72 1.70 0.13 0.27 118.95 124.58 2fjf s ARG 38 Ca 0.02 -1.41 -0.03 0.00 -0.47 0.00 0.00 55.73 53.83 2fjf s ARG 38 Cb -0.09 -1.19 0.08 0.00 -0.57 0.00 0.00 34.95 33.18 2fjf s ARG 38 CO 0.01 0.23 0.09 -1.14 -1.08 0.00 0.00 175.30 173.41 2fjf s GLN 39 N -2.97 0.38 0.59 3.89 0.74 -0.19 -0.37 119.66 121.74 2fjf s GLN 39 Ca 0.16 -0.51 -0.18 0.00 0.05 0.00 0.00 55.36 54.87 2fjf s GLN 39 Cb -0.04 -1.71 -0.03 0.00 1.10 0.00 0.00 33.01 32.32 2fjf s GLN 39 CO 0.06 -0.84 1.17 0.00 -0.55 0.00 0.00 175.29 175.12 2fjf s ALA 40 N 1.95 2.56 -0.19 1.58 0.00 -1.26 -1.45 121.76 124.95 2fjf s ALA 40 Ca 0.05 0.87 -0.35 0.00 0.00 0.00 0.00 51.96 52.53 2fjf s ALA 40 Cb -0.17 -3.40 -0.12 0.00 0.00 0.00 0.00 23.12 19.43 2fjf s ALA 40 CO -0.21 -1.08 1.94 -2.30 0.00 0.00 0.00 175.76 174.11 2fjf n PRO 41 N -1.67 1.76 -0.68 0.00 -0.02 -1.26 -0.05 135.00 133.07 2fjf n PRO 41 Ca 0.12 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2fjf n PRO 41 Cb 0.50 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 2fjf n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fjf n GLY 42 N 4.89 0.72 3.79 -1.23 0.00 -1.26 -5.04 105.19 107.05 2fjf n GLY 42 Ca 0.28 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 2fjf n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fjf s LYS 43 N -0.32 2.21 0.00 1.61 -0.14 0.92 -5.16 119.74 118.86 2fjf s LYS 43 Ca 0.00 -2.35 0.00 0.00 -1.36 0.00 0.00 55.97 52.26 2fjf s LYS 43 Cb 0.00 -1.62 0.00 0.00 -1.68 0.00 0.00 37.83 34.53 2fjf s LYS 43 CO 0.00 -0.40 0.00 0.41 -0.76 0.00 0.00 175.35 174.60 2fjf n GLY 44 N -1.34 -0.80 3.62 -3.33 0.00 -1.26 -4.64 105.19 97.44 2fjf n GLY 44 Ca -0.17 -1.67 -0.36 0.00 0.00 0.00 0.00 46.02 43.82 2fjf n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fjf s LEU 45 N 0.00 3.95 -0.14 0.99 1.43 -1.26 -4.25 118.68 119.40 2fjf s LEU 45 Ca 0.00 0.05 0.02 0.00 -1.03 0.00 0.00 54.13 53.17 2fjf s LEU 45 Cb 0.00 -2.05 0.01 0.00 0.03 0.00 0.00 46.19 44.18 2fjf s LEU 45 CO 0.00 0.06 -0.20 -0.70 0.23 0.00 0.00 176.35 175.74 2fjf s GLU 46 N 1.07 2.87 0.40 1.70 2.12 0.50 -4.93 118.70 122.41 2fjf s GLU 46 Ca 0.06 -0.80 -0.25 0.00 0.36 0.00 0.00 54.97 54.35 2fjf s GLU 46 Cb -0.14 -2.36 -0.09 0.00 0.26 0.00 0.00 34.13 31.81 2fjf s GLU 46 CO 0.04 -0.05 1.11 -0.46 -0.54 0.00 0.00 175.26 175.36 2fjf s TRP 47 N 0.93 3.17 0.00 5.30 -0.00 -1.26 0.22 118.94 127.30 2fjf s TRP 47 Ca -0.05 1.60 0.00 0.00 -0.00 0.00 0.00 56.10 57.65 2fjf s TRP 47 Cb -0.15 -3.27 0.00 0.00 -0.00 0.00 0.00 33.47 30.05 2fjf s TRP 47 CO -0.04 -0.99 0.00 0.28 -0.00 0.00 0.00 176.95 176.20 2fjf n VAL 48 N 0.04 0.00 -3.62 5.86 0.31 -0.04 -4.72 118.33 116.16 2fjf n VAL 48 Ca 0.04 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.26 2fjf n VAL 48 Cb 0.48 -0.99 -0.05 0.00 -0.91 0.00 0.00 33.84 32.36 2fjf n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2fjf s ALA 49 N -1.93 -1.07 -0.02 3.52 0.00 -1.15 -0.78 121.76 120.33 2fjf s ALA 49 Ca 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 51.96 52.14 2fjf s ALA 49 Cb 0.00 0.53 0.00 0.00 0.00 0.00 0.00 23.12 23.66 2fjf s ALA 49 CO 0.00 -0.56 0.09 0.20 0.00 0.00 0.00 175.76 175.49 2fjf s GLY 50 N -2.38 0.00 -0.04 0.00 0.00 -0.04 -0.62 107.32 104.24 2fjf s GLY 50 Ca -0.01 0.05 0.04 0.00 0.00 0.00 0.00 44.72 44.80 2fjf s GLY 50 CO -0.07 -0.02 -0.16 -1.50 0.00 0.00 0.00 173.10 171.35 2fjf s ILE 51 N -0.53 1.34 0.59 0.90 2.07 -0.60 -1.29 121.20 123.67 2fjf s ILE 51 Ca -0.06 -0.67 -0.14 0.00 -1.41 0.00 0.00 60.65 58.37 2fjf s ILE 51 Cb -0.04 -1.15 -0.05 0.00 0.13 0.00 0.00 42.46 41.35 2fjf s ILE 51 CO 0.00 0.39 1.02 -0.89 -1.91 0.00 0.00 174.94 173.55 2fjf s THR 52 N 0.03 4.48 0.30 4.00 2.01 -0.82 -1.40 115.64 124.25 2fjf s THR 52 Ca -0.03 0.98 -0.26 0.00 0.31 0.00 0.00 61.69 62.69 2fjf s THR 52 Cb -0.11 -3.72 -0.14 0.00 0.01 0.00 0.00 72.50 68.54 2fjf s THR 52 CO 0.02 -0.88 0.74 -2.65 -0.69 0.00 0.00 174.62 171.16 2fjf n PRO 53 N -2.28 0.76 -0.79 4.92 -0.02 -1.20 -0.99 135.00 135.40 2fjf n PRO 53 Ca 0.07 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2fjf n PRO 53 Cb 0.54 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 2fjf n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fjf n ALA 54 N -0.16 0.00 -3.18 3.55 0.00 0.94 -3.05 120.51 118.62 2fjf n ALA 54 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.38 2fjf n ALA 54 Cb 0.32 -1.07 0.05 0.00 0.00 0.00 0.00 19.45 18.75 2fjf n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2fjf n GLY 55 N -0.78 -0.23 0.17 0.00 0.00 -0.16 -4.93 105.19 99.26 2fjf n GLY 55 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.08 2fjf n GLY 55 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2fjf h GLY 56 N -1.75 0.00 -2.12 -0.02 0.00 -1.67 -3.48 103.07 94.02 2fjf h GLY 56 Ca -0.43 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.02 2fjf h GLY 56 CO 0.44 0.00 0.36 -0.47 0.00 0.00 0.00 176.54 176.87 2fjf s TYR 57 N -3.22 -0.15 -0.14 5.60 5.04 -1.26 -5.03 117.35 118.19 2fjf s TYR 57 Ca 0.03 -0.25 -0.10 0.00 -2.44 0.00 0.00 57.07 54.32 2fjf s TYR 57 Cb 0.08 0.68 0.04 0.00 0.35 0.00 0.00 41.96 43.12 2fjf s TYR 57 CO 0.71 -1.05 0.35 0.99 -1.34 0.00 0.00 175.55 175.20 2fjf s THR 58 N -3.55 -0.02 0.03 4.34 2.01 -1.26 -1.95 115.64 115.24 2fjf s THR 58 Ca 0.12 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.21 2fjf s THR 58 Cb -0.04 -0.50 -0.02 0.00 0.01 0.00 0.00 72.50 71.95 2fjf s THR 58 CO 0.05 0.03 -0.10 -0.31 -0.69 0.00 0.00 174.62 173.59 2fjf s TYR 59 N 0.81 0.89 0.02 4.92 1.51 -0.41 -5.00 117.35 120.09 2fjf s TYR 59 Ca -0.05 -0.31 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 2fjf s TYR 59 Cb -0.06 -0.54 -0.01 0.00 -0.11 0.00 0.00 41.96 41.24 2fjf s TYR 59 CO -0.06 -0.01 -0.06 0.71 -1.11 0.00 0.00 175.55 175.02 2fjf s TYR 60 N -0.76 0.54 0.49 2.71 1.51 -1.26 -0.86 117.35 119.72 2fjf s TYR 60 Ca -0.01 -0.31 -0.21 0.00 -1.01 0.00 0.00 57.07 55.53 2fjf s TYR 60 Cb -0.07 -0.33 -0.07 0.00 -0.11 0.00 0.00 41.96 41.38 2fjf s TYR 60 CO 0.01 -0.05 1.12 0.00 -1.11 0.00 0.00 175.55 175.52 2fjf s ALA 61 N -0.81 2.85 0.43 3.71 0.00 0.04 -4.77 121.76 123.22 2fjf s ALA 61 Ca -0.05 0.83 0.15 0.00 0.00 0.00 0.00 51.96 52.89 2fjf s ALA 61 Cb -0.06 -3.35 1.05 0.00 0.00 0.00 0.00 23.12 20.76 2fjf s ALA 61 CO 0.00 -0.62 1.96 -0.44 0.00 0.00 0.00 175.76 176.65 2fjf h ASP 62 N 1.66 0.37 0.22 0.00 5.19 -1.95 0.16 116.42 122.07 2fjf h ASP 62 Ca -0.50 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 2fjf h ASP 62 Cb 1.25 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 40.70 2fjf h ASP 62 CO 0.59 0.21 0.00 -1.54 -3.12 0.00 0.00 179.24 175.38 2fjf n SER 63 N -4.47 0.25 0.00 6.45 3.41 -1.26 -3.21 113.62 114.78 2fjf n SER 63 Ca 0.12 0.59 0.00 0.00 -0.26 0.00 0.00 58.87 59.32 2fjf n SER 63 Cb 0.44 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.76 2fjf n SER 63 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2fjf n VAL 64 N -1.81 0.00 -1.65 -3.33 0.31 -0.25 -5.02 118.33 106.59 2fjf n VAL 64 Ca 0.01 0.00 -0.58 0.00 -0.01 0.00 0.00 64.34 63.75 2fjf n VAL 64 Cb 0.08 -0.06 -0.08 0.00 -0.91 0.00 0.00 33.84 32.88 2fjf n VAL 64 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2fjf n LYS 65 N -0.95 0.74 -0.04 5.55 4.81 0.41 -1.47 118.16 127.20 2fjf n LYS 65 Ca 0.00 0.27 0.00 0.00 -0.87 0.00 0.00 58.31 57.71 2fjf n LYS 65 Cb 0.10 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.28 2fjf n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2fjf n GLY 66 N 3.28 0.83 0.03 3.14 0.00 -1.26 -4.82 105.19 106.39 2fjf n GLY 66 Ca 0.24 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.22 2fjf n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fjf n ARG 67 N -2.00 0.64 -4.24 1.61 1.74 -0.55 -5.04 116.66 108.83 2fjf n ARG 67 Ca 0.00 0.03 -0.32 0.00 -0.77 0.00 0.00 57.85 56.80 2fjf n ARG 67 Cb 0.00 -1.14 -0.09 0.00 -1.02 0.00 0.00 32.46 30.21 2fjf n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2fjf s PHE 68 N -2.14 3.04 -0.07 -1.55 0.40 -1.08 -1.05 117.98 115.54 2fjf s PHE 68 Ca -0.09 0.04 0.05 0.00 -0.60 0.00 0.00 56.93 56.34 2fjf s PHE 68 Cb 0.02 -1.63 -0.01 0.00 0.51 0.00 0.00 43.02 41.91 2fjf s PHE 68 CO 0.17 0.46 -0.23 0.99 0.70 0.00 0.00 175.22 177.32 2fjf s THR 69 N -1.15 2.24 -0.11 0.64 2.01 0.14 -4.88 115.64 114.51 2fjf s THR 69 Ca 0.21 -1.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.16 2fjf s THR 69 Cb -0.12 -1.83 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 2fjf s THR 69 CO 0.13 0.57 0.10 -0.51 -0.69 0.00 0.00 174.62 174.21 2fjf s ILE 70 N -0.15 5.14 0.12 1.82 2.07 -1.26 -0.50 121.20 128.43 2fjf s ILE 70 Ca -0.04 0.07 -0.04 0.00 -1.41 0.00 0.00 60.65 59.23 2fjf s ILE 70 Cb -0.14 -3.22 0.02 0.00 0.13 0.00 0.00 42.46 39.25 2fjf s ILE 70 CO 0.04 0.61 0.23 -0.24 -1.91 0.00 0.00 174.94 173.67 2fjf n SER 71 N 2.10 -0.67 -3.53 4.50 2.88 -0.98 -5.00 113.62 112.91 2fjf n SER 71 Ca -0.19 -1.48 -0.11 0.00 -1.33 0.00 0.00 58.87 55.76 2fjf n SER 71 Cb 0.54 1.13 -0.03 0.00 -0.75 0.00 0.00 64.21 65.10 2fjf n SER 71 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2fjf s ALA 72 N -1.34 -1.34 -0.28 -1.46 0.00 -1.26 -0.37 121.76 115.71 2fjf s ALA 72 Ca 0.05 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.28 2fjf s ALA 72 Cb -0.01 0.83 0.07 0.00 0.00 0.00 0.00 23.12 24.01 2fjf s ALA 72 CO 0.04 -0.75 -0.08 0.34 0.00 0.00 0.00 175.76 175.31 2fjf s ASP 73 N -2.78 4.52 0.31 0.00 3.68 0.98 -4.96 116.67 118.42 2fjf s ASP 73 Ca 0.03 -1.55 0.04 0.00 2.13 0.00 0.00 52.55 53.19 2fjf s ASP 73 Cb -0.01 -1.57 0.51 0.00 -1.45 0.00 0.00 42.92 40.40 2fjf s ASP 73 CO -0.11 -0.23 1.79 0.71 0.13 0.00 0.00 175.17 177.46 2fjf h THR 74 N 6.73 1.24 -0.12 1.71 1.35 -1.96 0.37 112.91 122.22 2fjf h THR 74 Ca -0.16 -1.06 -0.03 0.00 -0.55 0.00 0.00 66.41 64.61 2fjf h THR 74 Cb 1.04 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 68.64 2fjf h THR 74 CO 0.47 0.34 -0.06 0.77 -0.25 0.00 0.00 175.52 176.79 2fjf h SER 75 N 0.44 0.16 0.47 5.36 4.64 -1.96 -1.61 113.55 121.05 2fjf h SER 75 Ca 0.08 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2fjf h SER 75 Cb 0.52 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 2fjf h SER 75 CO 0.03 0.26 -0.38 0.29 -0.87 0.00 0.00 176.83 176.16 2fjf n LYS 76 N -4.36 0.23 -4.15 4.77 4.01 -0.60 -4.97 118.16 113.08 2fjf n LYS 76 Ca -0.01 -0.13 -0.35 0.00 -0.51 0.00 0.00 58.31 57.32 2fjf n LYS 76 Cb 0.20 -1.50 -0.02 0.00 -0.51 0.00 0.00 35.03 33.21 2fjf n LYS 76 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2fjf n ASN 77 N -1.27 -3.34 -4.03 4.39 5.15 0.02 -4.77 115.26 111.41 2fjf n ASN 77 Ca 0.08 -0.97 -0.21 0.00 -0.60 0.00 0.00 54.58 52.87 2fjf n ASN 77 Cb 0.33 -2.97 -0.15 0.00 -0.53 0.00 0.00 39.78 36.46 2fjf n ASN 77 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2fjf s THR 78 N -3.34 0.89 0.27 -0.44 2.01 -1.06 -1.47 115.64 112.50 2fjf s THR 78 Ca 0.67 -0.44 0.07 0.00 0.31 0.00 0.00 61.69 62.30 2fjf s THR 78 Cb -0.36 -0.78 -0.03 0.00 0.01 0.00 0.00 72.50 71.34 2fjf s THR 78 CO 0.91 0.27 0.27 0.00 -0.69 0.00 0.00 174.62 175.38 2fjf s ALA 79 N 0.06 3.76 0.07 7.40 0.00 -0.37 -0.01 121.76 132.66 2fjf s ALA 79 Ca -0.01 -1.43 0.02 0.00 0.00 0.00 0.00 51.96 50.53 2fjf s ALA 79 Cb -0.08 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.61 2fjf s ALA 79 CO 0.00 0.18 -0.07 0.71 0.00 0.00 0.00 175.76 176.58 2fjf s TYR 80 N -2.14 0.79 -0.25 0.00 2.02 0.50 -0.15 117.35 118.12 2fjf s TYR 80 Ca 0.36 -0.75 0.00 0.00 -0.37 0.00 0.00 57.07 56.31 2fjf s TYR 80 Cb -0.08 -0.46 0.07 0.00 -0.40 0.00 0.00 41.96 41.08 2fjf s TYR 80 CO 0.27 -0.13 -0.02 -1.17 -1.57 0.00 0.00 175.55 172.92 2fjf s LEU 81 N -2.44 2.56 -0.32 -1.29 2.96 -0.16 -2.33 118.68 117.67 2fjf s LEU 81 Ca 0.03 -1.26 -0.24 0.00 -0.22 0.00 0.00 54.13 52.44 2fjf s LEU 81 Cb -0.01 -1.13 0.00 0.00 0.50 0.00 0.00 46.19 45.56 2fjf s LEU 81 CO -0.03 -0.27 0.82 -1.58 -1.32 0.00 0.00 176.35 173.97 2fjf s GLN 82 N 1.42 3.93 -0.34 1.98 2.00 0.34 -0.97 119.66 128.03 2fjf s GLN 82 Ca -0.03 0.58 -0.04 0.00 -2.00 0.00 0.00 55.36 53.87 2fjf s GLN 82 Cb -0.19 -3.75 0.06 0.00 0.80 0.00 0.00 33.01 29.94 2fjf s GLN 82 CO -0.08 -0.74 0.10 -1.64 -0.50 0.00 0.00 175.29 172.43 2fjf s MET 83 N 3.06 2.44 0.29 1.67 -1.94 0.44 0.26 119.30 125.53 2fjf s MET 83 Ca 0.33 -1.34 0.06 0.00 -1.71 0.00 0.00 55.69 53.03 2fjf s MET 83 Cb -0.14 -3.40 -0.02 0.00 2.01 0.00 0.00 34.83 33.28 2fjf s MET 83 CO 0.14 -0.74 0.39 -0.80 -0.01 0.00 0.00 175.02 174.00 2fjf s ASN 84 N 1.48 6.01 -1.37 3.03 0.01 -0.21 -0.96 114.94 122.93 2fjf s ASN 84 Ca -0.01 -0.12 -0.11 0.00 -0.71 0.00 0.00 52.86 51.91 2fjf s ASN 84 Cb -0.20 -1.46 0.01 0.00 0.41 0.00 0.00 41.25 40.01 2fjf s ASN 84 CO 0.00 -0.26 0.40 -1.20 -1.51 0.00 0.00 177.10 174.53 2fjf n SER 85 N -1.50 -1.46 -4.77 -1.22 7.64 -1.06 -4.64 113.62 106.62 2fjf n SER 85 Ca -0.04 -1.16 -0.38 0.00 1.01 0.00 0.00 58.87 58.30 2fjf n SER 85 Cb 0.58 -2.35 -0.01 0.00 -1.01 0.00 0.00 64.21 61.42 2fjf n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2fjf s LEU 86 N -7.14 4.16 0.25 -3.43 1.43 -0.34 -4.65 118.68 108.97 2fjf s LEU 86 Ca 0.18 2.45 0.09 0.00 -1.03 0.00 0.00 54.13 55.82 2fjf s LEU 86 Cb -0.08 -4.02 -0.05 0.00 0.03 0.00 0.00 46.19 42.06 2fjf s LEU 86 CO 0.94 -0.79 -0.14 0.00 0.23 0.00 0.00 176.35 176.58 2fjf s ARG 87 N -2.35 1.51 0.27 1.70 1.70 -1.26 0.37 118.95 120.88 2fjf s ARG 87 Ca 0.58 -1.70 -0.03 0.00 -0.47 0.00 0.00 55.73 54.11 2fjf s ARG 87 Cb -0.33 -1.37 0.56 0.00 -0.57 0.00 0.00 34.95 33.24 2fjf s ARG 87 CO 0.41 0.20 1.63 0.00 -1.08 0.00 0.00 175.30 176.47 2fjf h ALA 88 N 2.39 0.99 0.00 7.88 0.00 -1.97 0.72 119.26 129.27 2fjf h ALA 88 Ca -0.39 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2fjf h ALA 88 Cb 1.24 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2fjf h ALA 88 CO 0.63 -0.45 0.00 -0.85 0.00 0.00 0.00 179.25 178.58 2fjf n GLU 89 N -5.32 0.57 0.00 0.00 0.00 -1.26 -1.43 120.64 113.20 2fjf n GLU 89 Ca 0.17 0.00 0.14 0.00 0.00 0.00 0.00 57.16 57.48 2fjf n GLU 89 Cb 0.57 -1.44 0.63 0.00 0.00 0.00 0.00 31.44 31.20 2fjf n GLU 89 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2fjf n ASP 90 N -0.94 0.87 -4.65 -1.84 8.00 0.25 -4.89 116.55 113.34 2fjf n ASP 90 Ca 0.12 -1.10 -0.42 0.00 0.71 0.00 0.00 54.79 54.09 2fjf n ASP 90 Cb 0.05 -0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.12 2fjf n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2fjf s THR 91 N -2.17 3.27 -0.12 -3.53 2.01 -0.51 -4.88 115.64 109.72 2fjf s THR 91 Ca 0.37 0.32 -0.33 0.00 0.31 0.00 0.00 61.69 62.36 2fjf s THR 91 Cb 0.21 -3.22 0.14 0.00 0.01 0.00 0.00 72.50 69.64 2fjf s THR 91 CO 0.40 -0.05 1.37 0.00 -0.69 0.00 0.00 174.62 175.65 2fjf s ALA 92 N 4.65 -2.34 0.00 7.40 0.00 0.10 -4.47 121.76 127.10 2fjf s ALA 92 Ca 0.83 1.12 -0.30 0.00 0.00 0.00 0.00 51.96 53.61 2fjf s ALA 92 Cb -0.37 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 2fjf s ALA 92 CO 0.36 -0.92 1.01 0.08 0.00 0.00 0.00 175.76 176.29 2fjf s VAL 93 N -2.18 4.75 -0.21 0.00 1.01 -0.53 -0.95 120.40 122.29 2fjf s VAL 93 Ca 0.14 1.98 -0.06 0.00 0.00 0.00 0.00 61.98 64.03 2fjf s VAL 93 Cb 0.05 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 2fjf s VAL 93 CO -0.05 0.14 0.03 -0.31 0.00 0.00 0.00 175.10 174.92 2fjf s TYR 94 N 1.08 3.08 -0.02 5.22 1.51 0.10 -1.02 117.35 127.30 2fjf s TYR 94 Ca 0.53 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 56.21 2fjf s TYR 94 Cb -0.22 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.46 2fjf s TYR 94 CO 0.28 -0.23 0.01 0.71 -1.11 0.00 0.00 175.55 175.20 2fjf s TYR 95 N 1.12 3.11 0.08 2.71 1.51 0.14 -1.90 117.35 124.14 2fjf s TYR 95 Ca 0.03 0.12 0.02 0.00 -1.01 0.00 0.00 57.07 56.23 2fjf s TYR 95 Cb -0.14 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 2fjf s TYR 95 CO 0.02 0.47 0.14 0.00 -1.11 0.00 0.00 175.55 175.07 2fjf s ALA 97 N -1.48 -0.44 0.18 0.00 0.00 -0.01 -1.00 121.76 119.00 2fjf s ALA 97 Ca 0.32 0.24 -0.06 0.00 0.00 0.00 0.00 51.96 52.45 2fjf s ALA 97 Cb -0.12 -0.10 -0.06 0.00 0.00 0.00 0.00 23.12 22.84 2fjf s ALA 97 CO 0.25 -0.16 0.44 -0.98 0.00 0.00 0.00 175.76 175.31 2fjf s ARG 98 N -0.66 3.68 -0.00 0.00 1.70 -0.88 -0.89 118.95 121.90 2fjf s ARG 98 Ca -0.08 0.03 -0.26 0.00 -0.47 0.00 0.00 55.73 54.96 2fjf s ARG 98 Cb -0.04 -2.77 0.06 0.00 -0.57 0.00 0.00 34.95 31.62 2fjf s ARG 98 CO 0.01 0.40 0.57 0.12 -1.08 0.00 0.00 175.30 175.33 2fjf s PHE 99 N -1.73 -0.51 0.01 5.89 5.36 -0.62 -3.70 117.98 122.67 2fjf s PHE 99 Ca 0.43 0.76 -0.17 0.00 -0.96 0.00 0.00 56.93 56.99 2fjf s PHE 99 Cb -0.12 0.35 0.03 0.00 -0.34 0.00 0.00 43.02 42.94 2fjf s PHE 99 CO 0.24 -0.60 0.37 0.54 -1.46 0.00 0.00 175.22 174.30 2fjf s VAL 100 N -1.73 0.06 -0.90 3.12 0.11 -1.26 -0.45 120.40 119.35 2fjf s VAL 100 Ca -0.09 -0.48 0.24 0.00 -2.93 0.00 0.00 61.98 58.72 2fjf s VAL 100 Cb -0.01 -0.81 0.21 0.00 -1.53 0.00 0.00 36.38 34.24 2fjf s VAL 100 CO 0.04 -0.26 1.74 0.49 -3.33 0.00 0.00 175.10 173.78 2fjf n PHE 101 N 0.88 0.24 -1.48 1.54 3.01 -1.26 -3.76 117.46 116.62 2fjf n PHE 101 Ca -0.20 0.08 -0.32 0.00 1.01 0.00 0.00 57.45 58.02 2fjf n PHE 101 Cb 0.58 -0.63 0.08 0.00 -0.01 0.00 0.00 39.48 39.50 2fjf n PHE 101 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2fjf s PHE 102 N -3.05 2.45 0.22 1.38 2.99 -1.26 -4.59 117.98 116.12 2fjf s PHE 102 Ca 0.10 1.58 -0.30 0.00 0.00 0.00 0.00 56.93 58.32 2fjf s PHE 102 Cb 0.14 -3.19 -0.16 0.00 0.00 0.00 0.00 43.02 39.82 2fjf s PHE 102 CO 0.45 -1.93 0.87 1.28 -0.00 0.00 0.00 175.22 175.88 2fjf n LEU 103 N -2.94 0.55 -0.30 -0.37 7.99 -1.26 0.13 117.00 120.80 2fjf n LEU 103 Ca 0.10 1.15 0.07 0.00 -0.01 0.00 0.00 56.01 57.33 2fjf n LEU 103 Cb 0.52 -1.13 0.30 0.00 -0.11 0.00 0.00 43.42 43.00 2fjf n LEU 103 CO 0.50 -1.98 0.71 -0.81 -1.51 0.00 0.00 177.39 174.30 2fjf n PRO 104 N 1.06 1.38 -3.97 3.23 -0.04 -1.26 -4.98 135.00 130.43 2fjf n PRO 104 Ca 0.14 -0.58 -0.27 0.00 -0.04 0.00 0.00 63.50 62.75 2fjf n PRO 104 Cb 0.27 -1.26 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 2fjf n PRO 104 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2fjf n TYR 105 N -0.13 -1.00 -4.30 0.54 4.11 0.12 -4.95 117.16 111.55 2fjf n TYR 105 Ca 0.11 0.51 -0.17 0.00 -0.00 0.00 0.00 57.90 58.35 2fjf n TYR 105 Cb 0.18 -2.07 -0.10 0.00 -0.00 0.00 0.00 39.34 37.35 2fjf n TYR 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2fjf s ALA 106 N -3.80 1.74 -0.69 -3.48 0.00 -1.26 -4.97 121.76 109.31 2fjf s ALA 106 Ca 0.17 -1.79 -0.20 0.00 0.00 0.00 0.00 51.96 50.14 2fjf s ALA 106 Cb -0.10 1.19 0.10 0.00 0.00 0.00 0.00 23.12 24.31 2fjf s ALA 106 CO 0.81 -0.52 0.89 -1.64 0.00 0.00 0.00 175.76 175.30 2fjf s MET 107 N -3.92 3.18 0.06 0.00 -1.94 -1.26 -4.58 119.30 110.84 2fjf s MET 107 Ca 0.37 -1.23 0.16 0.00 -1.71 0.00 0.00 55.69 53.28 2fjf s MET 107 Cb 0.06 -4.37 -0.14 0.00 2.01 0.00 0.00 34.83 32.39 2fjf s MET 107 CO 0.16 -1.69 0.83 0.38 -0.01 0.00 0.00 175.02 174.69 2fjf h ASP 108 N 9.24 0.00 -3.34 3.03 2.03 -1.98 -3.45 116.42 121.96 2fjf h ASP 108 Ca -0.20 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 55.55 2fjf h ASP 108 Cb 1.07 0.00 -0.34 0.00 -0.83 0.00 0.00 39.33 39.23 2fjf h ASP 108 CO 1.13 0.64 -0.83 -0.31 -1.03 0.00 0.00 179.24 178.84 2fjf s TYR 109 N -2.88 1.72 0.12 4.15 1.51 -1.26 -5.06 117.35 115.66 2fjf s TYR 109 Ca -0.03 -0.73 0.10 0.00 -1.01 0.00 0.00 57.07 55.41 2fjf s TYR 109 Cb 0.09 -1.25 -0.04 0.00 -0.11 0.00 0.00 41.96 40.64 2fjf s TYR 109 CO 0.81 -0.38 -0.24 -1.58 -1.11 0.00 0.00 175.55 173.05 2fjf s TRP 110 N 0.84 2.38 1.15 2.71 0.52 -1.26 -2.06 118.94 123.22 2fjf s TRP 110 Ca -0.10 -0.34 -0.18 0.00 0.02 0.00 0.00 56.10 55.49 2fjf s TRP 110 Cb -0.15 -1.28 0.27 0.00 -1.15 0.00 0.00 33.47 31.15 2fjf s TRP 110 CO 0.01 0.35 1.15 0.20 0.02 0.00 0.00 176.95 178.68 2fjf s GLY 111 N -2.08 1.62 0.18 0.98 0.00 -0.17 -4.42 107.32 103.43 2fjf s GLY 111 Ca 0.15 -0.97 0.25 0.00 0.00 0.00 0.00 44.72 44.15 2fjf s GLY 111 CO 0.07 -0.12 1.54 0.06 0.00 0.00 0.00 173.10 174.65 2fjf h GLN 112 N -2.38 0.00 0.00 2.90 -0.00 -1.91 -3.45 115.11 110.27 2fjf h GLN 112 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 2fjf h GLN 112 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.76 2fjf h GLN 112 CO 0.36 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.60 2fjf n GLY 113 N 1.31 1.85 3.32 0.06 0.00 -1.26 -5.02 105.19 105.45 2fjf n GLY 113 Ca 0.04 -1.60 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 2fjf n GLY 113 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fjf s THR 114 N -1.41 2.00 -0.12 2.61 -4.23 -0.80 -4.88 115.64 108.82 2fjf s THR 114 Ca 0.00 -1.43 -0.25 0.00 -1.18 0.00 0.00 61.69 58.83 2fjf s THR 114 Cb 0.00 -1.74 -0.02 0.00 1.34 0.00 0.00 72.50 72.08 2fjf s THR 114 CO 0.00 0.23 0.79 -0.22 -0.54 0.00 0.00 174.62 174.88 2fjf s LEU 115 N -1.46 4.24 -0.25 4.79 2.96 -1.26 -0.73 118.68 126.98 2fjf s LEU 115 Ca 0.11 1.22 -0.03 0.00 -0.22 0.00 0.00 54.13 55.20 2fjf s LEU 115 Cb -0.10 -3.20 0.02 0.00 0.50 0.00 0.00 46.19 43.41 2fjf s LEU 115 CO 0.03 -0.28 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.06 2fjf s VAL 116 N 1.54 3.15 -0.16 1.68 1.01 -0.13 -1.46 120.40 126.03 2fjf s VAL 116 Ca 0.39 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.50 2fjf s VAL 116 Cb -0.17 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.64 2fjf s VAL 116 CO 0.16 0.22 -0.18 0.28 0.00 0.00 0.00 175.10 175.57 2fjf s THR 117 N 1.38 2.32 -0.25 3.92 -1.32 -0.80 -0.72 115.64 120.16 2fjf s THR 117 Ca 0.02 -0.88 -0.01 0.00 -1.21 0.00 0.00 61.69 59.61 2fjf s THR 117 Cb -0.16 -1.97 0.03 0.00 -1.51 0.00 0.00 72.50 68.89 2fjf s THR 117 CO -0.03 0.53 -0.06 -0.69 -2.21 0.00 0.00 174.62 172.16 2fjf s VAL 118 N 1.02 2.85 -0.02 5.08 1.01 -1.26 -1.87 120.40 127.20 2fjf s VAL 118 Ca -0.02 -1.06 -0.23 0.00 0.00 0.00 0.00 61.98 60.67 2fjf s VAL 118 Cb -0.15 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.82 2fjf s VAL 118 CO -0.05 0.18 0.51 -0.55 0.00 0.00 0.00 175.10 175.19 2fjf s SER 119 N 1.31 -0.44 0.00 3.32 0.15 -0.45 -4.15 113.70 113.44 2fjf s SER 119 Ca -0.00 0.38 0.26 0.00 0.70 0.00 0.00 55.95 57.29 2fjf s SER 119 Cb -0.17 0.44 0.68 0.00 -1.71 0.00 0.00 66.02 65.27 2fjf s SER 119 CO -0.04 -0.56 1.54 -1.54 1.20 0.00 0.00 173.24 173.83 2fjf n SER 120 N 0.98 2.16 -4.74 5.45 3.41 -1.26 -3.96 113.62 115.66 2fjf n SER 120 Ca -0.20 -1.73 -0.41 0.00 -0.26 0.00 0.00 58.87 56.27 2fjf n SER 120 Cb 0.57 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 2fjf n SER 120 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2fjf s ALA 121 N -1.95 3.54 0.53 7.33 0.00 -1.26 -5.02 121.76 124.94 2fjf s ALA 121 Ca 0.34 1.15 -0.19 0.00 0.00 0.00 0.00 51.96 53.25 2fjf s ALA 121 Cb 0.20 -3.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.77 2fjf s ALA 121 CO 0.31 -0.57 1.09 -1.12 0.00 0.00 0.00 175.76 175.47 2fjf s SER 122 N 0.34 5.95 0.06 0.00 0.01 -1.26 -4.99 113.70 113.82 2fjf s SER 122 Ca 0.57 2.04 -0.35 0.00 1.31 0.00 0.00 55.95 59.52 2fjf s SER 122 Cb -0.37 -2.57 -0.14 0.00 0.21 0.00 0.00 66.02 63.14 2fjf s SER 122 CO 0.39 -1.06 1.58 0.41 0.41 0.00 0.00 173.24 174.97 2fjf n THR 123 N -1.28 0.12 -3.79 1.44 -1.04 -1.26 -4.70 114.28 103.77 2fjf n THR 123 Ca 0.10 -0.02 -0.14 0.00 -2.04 0.00 0.00 64.05 61.95 2fjf n THR 123 Cb 0.52 -1.37 -0.15 0.00 -1.82 0.00 0.00 70.33 67.50 2fjf n THR 123 CO 0.00 0.00 0.00 -0.75 -0.64 0.00 0.00 175.07 173.68 2fjf s LYS 124 N 1.52 -0.02 0.52 -2.82 2.20 -0.46 -4.94 119.74 115.73 2fjf s LYS 124 Ca 0.84 0.16 -0.18 0.00 -0.36 0.00 0.00 55.97 56.43 2fjf s LYS 124 Cb -0.79 -0.19 -0.07 0.00 -1.51 0.00 0.00 37.83 35.27 2fjf s LYS 124 CO 0.45 -0.13 1.02 0.20 -0.36 0.00 0.00 175.35 176.52 2fjf s GLY 125 N 0.85 2.25 0.54 5.54 0.00 -1.26 -1.18 107.32 114.07 2fjf s GLY 125 Ca -0.07 0.39 -0.15 0.00 0.00 0.00 0.00 44.72 44.89 2fjf s GLY 125 CO -0.02 0.69 1.00 2.56 0.00 0.00 0.00 173.10 177.33 2fjf s PRO 126 N -3.70 3.86 -0.00 2.90 0.04 -1.26 -4.59 135.00 132.24 2fjf s PRO 126 Ca 0.63 0.90 -0.13 0.00 0.04 0.00 0.00 61.00 62.45 2fjf s PRO 126 Cb -0.13 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 2fjf s PRO 126 CO 0.27 -0.35 0.36 -1.12 0.04 0.00 0.00 177.00 176.21 2fjf s SER 127 N -3.35 6.72 -0.20 6.66 0.01 -0.54 -4.90 113.70 118.10 2fjf s SER 127 Ca 0.58 0.86 -0.02 0.00 1.31 0.00 0.00 55.95 58.67 2fjf s SER 127 Cb -0.10 -2.21 -0.00 0.00 0.21 0.00 0.00 66.02 63.92 2fjf s SER 127 CO 0.37 0.31 -0.09 -0.69 0.41 0.00 0.00 173.24 173.55 2fjf s VAL 128 N -1.13 3.03 0.02 3.43 1.01 -1.26 -1.34 120.40 124.16 2fjf s VAL 128 Ca 0.24 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.68 2fjf s VAL 128 Cb -0.15 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 2fjf s VAL 128 CO 0.13 0.46 -0.22 -0.36 0.00 0.00 0.00 175.10 175.10 2fjf s PHE 129 N 1.33 2.44 0.22 5.22 0.08 0.70 -4.96 117.98 123.01 2fjf s PHE 129 Ca 0.04 -0.34 -0.30 0.00 0.12 0.00 0.00 56.93 56.45 2fjf s PHE 129 Cb -0.14 -1.47 -0.08 0.00 -0.57 0.00 0.00 43.02 40.76 2fjf s PHE 129 CO -0.05 0.13 1.15 -1.25 -0.10 0.00 0.00 175.22 175.10 2fjf s PRO 130 N -1.09 4.56 -0.69 0.24 0.04 -1.26 0.08 135.00 136.88 2fjf s PRO 130 Ca 0.12 1.82 -0.10 0.00 0.04 0.00 0.00 61.00 62.88 2fjf s PRO 130 Cb -0.10 -3.23 0.18 0.00 0.04 0.00 0.00 34.50 31.39 2fjf s PRO 130 CO 0.02 0.04 0.59 -0.51 0.04 0.00 0.00 177.00 177.18 2fjf s LEU 131 N -0.70 6.12 0.49 -3.56 1.43 0.97 -4.77 118.68 118.66 2fjf s LEU 131 Ca 0.49 -2.54 -0.21 0.00 -1.03 0.00 0.00 54.13 50.84 2fjf s LEU 131 Cb -0.32 -2.08 -0.07 0.00 0.03 0.00 0.00 46.19 43.75 2fjf s LEU 131 CO 0.38 -0.56 1.13 0.00 0.23 0.00 0.00 176.35 177.53 2fjf s ALA 132 N 0.41 2.86 0.29 4.21 0.00 -1.26 -1.33 121.76 126.94 2fjf s ALA 132 Ca 0.14 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 2fjf s ALA 132 Cb -0.17 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 2fjf s ALA 132 CO -0.05 -0.63 1.41 -2.14 0.00 0.00 0.00 175.76 174.35 2fjf s PRO 133 N -2.97 4.27 0.64 0.00 0.02 -1.26 -4.85 135.00 130.85 2fjf s PRO 133 Ca 0.67 2.32 -0.15 0.00 0.02 0.00 0.00 61.00 63.86 2fjf s PRO 133 Cb -0.25 -3.08 -0.01 0.00 0.02 0.00 0.00 34.50 31.18 2fjf s PRO 133 CO 0.29 -0.37 1.09 0.45 -0.33 0.00 0.00 177.00 178.13 2fjf s SER 134 N 0.05 5.35 0.00 2.53 0.15 -1.26 -4.62 113.70 115.89 2fjf s SER 134 Ca 0.55 1.92 0.00 0.00 0.70 0.00 0.00 55.95 59.12 2fjf s SER 134 Cb -0.42 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.35 2fjf s SER 134 CO 0.49 -1.47 0.00 -1.54 1.20 0.00 0.00 173.24 171.92 2fjf n SER 135 N -2.32 0.00 0.00 5.45 3.41 -1.26 -5.08 113.62 113.82 2fjf n SER 135 Ca 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.71 2fjf n SER 135 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2fjf n SER 135 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2fjf n GLY 141 N 0.00 -2.41 3.29 5.00 0.00 -1.26 -5.21 105.19 104.61 2fjf n GLY 141 Ca 0.00 -1.66 -0.27 0.00 0.00 0.00 0.00 46.02 44.09 2fjf n GLY 141 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2fjf s THR 142 N -0.47 1.86 0.14 2.61 -1.32 -1.26 -1.42 115.64 115.78 2fjf s THR 142 Ca 0.00 -1.35 0.07 0.00 -1.21 0.00 0.00 61.69 59.20 2fjf s THR 142 Cb 0.00 -1.62 -0.04 0.00 -1.51 0.00 0.00 72.50 69.33 2fjf s THR 142 CO 0.00 0.20 -0.16 0.00 -2.21 0.00 0.00 174.62 172.45 2fjf s ALA 143 N -0.88 1.74 -0.03 11.08 0.00 0.17 -4.76 121.76 129.09 2fjf s ALA 143 Ca 0.09 -1.38 0.04 0.00 0.00 0.00 0.00 51.96 50.71 2fjf s ALA 143 Cb -0.09 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 2fjf s ALA 143 CO 0.03 0.17 -0.14 0.00 0.00 0.00 0.00 175.76 175.82 2fjf s ALA 144 N -2.07 2.71 0.23 0.00 0.00 -1.26 -0.16 121.76 121.20 2fjf s ALA 144 Ca 0.12 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 50.98 2fjf s ALA 144 Cb -0.05 -0.95 -0.02 0.00 0.00 0.00 0.00 23.12 22.09 2fjf s ALA 144 CO 0.05 0.57 0.33 -0.48 0.00 0.00 0.00 175.76 176.22 2fjf s LEU 145 N -0.95 0.68 0.00 0.00 0.05 -0.41 -4.10 118.68 113.94 2fjf s LEU 145 Ca 0.13 -1.11 0.00 0.00 0.05 0.00 0.00 54.13 53.20 2fjf s LEU 145 Cb -0.11 1.19 0.00 0.00 -2.05 0.00 0.00 46.19 45.22 2fjf s LEU 145 CO 0.02 -1.01 0.00 0.61 -0.55 0.00 0.00 176.35 175.42 2fjf n GLY 146 N -0.33 0.69 3.01 -3.48 0.00 -0.44 -0.16 105.19 104.48 2fjf n GLY 146 Ca -0.00 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 2fjf n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fjf s LEU 148 N 0.46 4.07 -0.45 0.00 2.96 0.11 -1.19 118.68 124.64 2fjf s LEU 148 Ca -0.09 0.62 -0.08 0.00 -0.22 0.00 0.00 54.13 54.37 2fjf s LEU 148 Cb -0.13 -2.75 0.11 0.00 0.50 0.00 0.00 46.19 43.92 2fjf s LEU 148 CO 0.02 -0.31 0.31 -0.69 -1.32 0.00 0.00 176.35 174.36 2fjf s VAL 149 N 2.30 4.01 -0.08 1.68 1.01 0.12 -0.21 120.40 129.23 2fjf s VAL 149 Ca 0.24 -1.81 0.02 0.00 0.00 0.00 0.00 61.98 60.43 2fjf s VAL 149 Cb -0.16 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.56 2fjf s VAL 149 CO 0.09 -0.73 -0.14 -0.75 0.00 0.00 0.00 175.10 173.56 2fjf s LYS 150 N 1.32 2.85 -0.75 2.72 2.20 -0.45 -0.42 119.74 127.21 2fjf s LYS 150 Ca 0.06 -0.70 -0.03 0.00 -0.36 0.00 0.00 55.97 54.93 2fjf s LYS 150 Cb -0.25 -2.46 -0.04 0.00 -1.51 0.00 0.00 37.83 33.57 2fjf s LYS 150 CO -0.01 0.45 0.65 -0.25 -0.36 0.00 0.00 175.35 175.83 2fjf n ASP 151 N 2.82 -4.45 -4.55 1.43 8.00 -0.53 -1.46 116.55 117.80 2fjf n ASP 151 Ca -0.18 -0.48 -0.24 0.00 0.71 0.00 0.00 54.79 54.61 2fjf n ASP 151 Cb 0.52 -3.76 -0.09 0.00 -0.02 0.00 0.00 41.12 37.78 2fjf n ASP 151 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2fjf s TYR 152 N -3.27 2.48 -0.25 1.24 1.13 -0.37 -4.37 117.35 113.94 2fjf s TYR 152 Ca 0.24 -0.28 -0.25 0.00 -1.41 0.00 0.00 57.07 55.37 2fjf s TYR 152 Cb -0.03 -1.09 0.07 0.00 -1.10 0.00 0.00 41.96 39.81 2fjf s TYR 152 CO 0.51 0.67 0.71 0.12 -2.51 0.00 0.00 175.55 175.05 2fjf s PHE 153 N -2.40 -0.77 0.00 -3.49 2.19 -0.32 -0.75 117.98 112.43 2fjf s PHE 153 Ca 0.30 1.85 0.00 0.00 0.33 0.00 0.00 56.93 59.42 2fjf s PHE 153 Cb -0.06 0.28 0.00 0.00 -1.31 0.00 0.00 43.02 41.93 2fjf s PHE 153 CO 0.17 -0.39 0.00 -0.35 1.83 0.00 0.00 175.22 176.48 2fjf n PRO 154 N 2.57 1.48 -1.80 10.12 -0.04 -1.26 -1.36 135.00 144.70 2fjf n PRO 154 Ca -0.14 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 63.00 2fjf n PRO 154 Cb 0.55 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 34.04 2fjf n PRO 154 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2fjf s GLU 155 N 0.42 3.21 0.51 0.54 0.41 -1.26 -4.75 118.70 117.78 2fjf s GLU 155 Ca 0.00 0.99 0.07 0.00 -0.41 0.00 0.00 54.97 55.62 2fjf s GLU 155 Cb 0.00 -2.03 0.03 0.00 -1.78 0.00 0.00 34.13 30.36 2fjf s GLU 155 CO 0.00 -0.89 0.50 -1.25 -0.49 0.00 0.00 175.26 173.13 2fjf s PRO 156 N -4.74 2.37 0.21 0.39 0.04 -1.26 -4.96 135.00 127.04 2fjf s PRO 156 Ca 0.59 -1.76 0.09 0.00 0.04 0.00 0.00 61.00 59.96 2fjf s PRO 156 Cb -0.14 -2.34 -0.04 0.00 0.04 0.00 0.00 34.50 32.02 2fjf s PRO 156 CO 0.48 -0.54 -0.03 0.54 0.04 0.00 0.00 177.00 177.50 2fjf s VAL 157 N -2.64 3.47 -0.10 -0.36 0.11 -1.26 -4.47 120.40 115.14 2fjf s VAL 157 Ca 0.46 -1.66 0.04 0.00 -2.93 0.00 0.00 61.98 57.89 2fjf s VAL 157 Cb -0.04 -2.77 -0.00 0.00 -1.53 0.00 0.00 36.38 32.04 2fjf s VAL 157 CO 0.28 -0.20 -0.23 -0.89 -3.33 0.00 0.00 175.10 170.73 2fjf s THR 158 N -1.92 2.18 -0.07 5.04 2.01 0.05 -4.97 115.64 117.97 2fjf s THR 158 Ca 0.28 -0.98 0.04 0.00 0.31 0.00 0.00 61.69 61.34 2fjf s THR 158 Cb -0.08 -1.84 0.00 0.00 0.01 0.00 0.00 72.50 70.59 2fjf s THR 158 CO 0.18 0.56 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.79 2fjf s VAL 159 N 0.29 1.59 0.12 3.82 1.01 -1.26 -0.25 120.40 125.71 2fjf s VAL 159 Ca -0.16 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.05 2fjf s VAL 159 Cb -0.17 -1.38 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2fjf s VAL 159 CO 0.08 0.45 -0.01 -0.94 0.00 0.00 0.00 175.10 174.68 2fjf s SER 160 N 0.26 0.87 -0.10 3.32 1.04 -0.30 -4.96 113.70 113.83 2fjf s SER 160 Ca -0.11 -1.10 0.03 0.00 0.48 0.00 0.00 55.95 55.26 2fjf s SER 160 Cb -0.15 0.16 -0.00 0.00 0.10 0.00 0.00 66.02 66.13 2fjf s SER 160 CO 0.05 -0.58 -0.22 0.26 0.98 0.00 0.00 173.24 173.73 2fjf s TRP 161 N -3.78 2.60 -1.22 5.02 0.52 -1.26 0.75 118.94 121.57 2fjf s TRP 161 Ca 0.17 -0.95 -0.07 0.00 0.02 0.00 0.00 56.10 55.27 2fjf s TRP 161 Cb 0.06 -1.73 0.05 0.00 -1.15 0.00 0.00 33.47 30.71 2fjf s TRP 161 CO -0.02 -0.37 0.38 0.09 0.02 0.00 0.00 176.95 177.06 2fjf n ASN 162 N 3.48 -3.85 -2.72 2.95 5.03 0.40 -0.07 115.26 120.48 2fjf n ASN 162 Ca -0.19 -0.24 -0.19 0.00 0.87 0.00 0.00 54.58 54.83 2fjf n ASN 162 Cb 0.53 -3.20 0.04 0.00 -1.02 0.00 0.00 39.78 36.13 2fjf n ASN 162 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 2fjf n SER 163 N -2.19 -5.47 0.00 6.41 7.64 -1.26 -2.90 113.62 115.86 2fjf n SER 163 Ca -0.05 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.52 2fjf n SER 163 Cb 0.56 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.53 2fjf n SER 163 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fjf n GLY 164 N -1.52 0.80 0.12 0.23 0.00 0.90 -4.88 105.19 100.83 2fjf n GLY 164 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.08 2fjf n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fjf n ALA 165 N -0.14 1.92 -3.89 4.61 0.00 -1.00 -4.51 120.51 117.51 2fjf n ALA 165 Ca 0.00 0.04 -0.29 0.00 0.00 0.00 0.00 53.44 53.18 2fjf n ALA 165 Cb 0.00 -1.42 -0.16 0.00 0.00 0.00 0.00 19.45 17.87 2fjf n ALA 165 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2fjf s LEU 166 N -4.45 1.98 0.00 0.00 2.96 -1.01 -4.96 118.68 113.20 2fjf s LEU 166 Ca 0.07 -0.91 0.00 0.00 -0.22 0.00 0.00 54.13 53.07 2fjf s LEU 166 Cb 0.11 -0.99 0.00 0.00 0.50 0.00 0.00 46.19 45.80 2fjf s LEU 166 CO 0.48 -0.22 0.00 0.35 -1.32 0.00 0.00 176.35 175.63 2fjf n THR 167 N 4.81 0.00 -2.00 3.68 -2.24 -1.26 -4.16 114.28 113.10 2fjf n THR 167 Ca -0.12 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 2fjf n THR 167 Cb 0.46 -0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 67.93 2fjf n THR 167 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2fjf s SER 168 N -2.84 6.66 0.00 3.42 0.15 -1.26 -2.71 113.70 117.13 2fjf s SER 168 Ca 0.00 2.50 0.00 0.00 0.70 0.00 0.00 55.95 59.15 2fjf s SER 168 Cb 0.00 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2fjf s SER 168 CO 0.00 -0.79 0.00 0.61 1.20 0.00 0.00 173.24 174.26 2fjf n GLY 169 N 3.73 0.90 3.73 9.45 0.00 -1.26 -4.76 105.19 116.98 2fjf n GLY 169 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2fjf n GLY 169 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2fjf s VAL 170 N -3.58 4.59 -0.20 1.61 1.01 -1.10 -3.05 120.40 119.67 2fjf s VAL 170 Ca 0.00 2.01 -0.01 0.00 0.00 0.00 0.00 61.98 63.98 2fjf s VAL 170 Cb 0.00 -4.29 0.06 0.00 0.00 0.00 0.00 36.38 32.14 2fjf s VAL 170 CO 0.00 0.30 -0.01 -1.00 0.00 0.00 0.00 175.10 174.39 2fjf s HIS 171 N 0.15 1.60 -0.33 5.22 3.76 0.07 -4.99 115.29 120.77 2fjf s HIS 171 Ca 0.47 -1.20 -0.11 0.00 -0.15 0.00 0.00 55.06 54.06 2fjf s HIS 171 Cb -0.23 -1.26 -0.01 0.00 1.11 0.00 0.00 32.58 32.20 2fjf s HIS 171 CO 0.29 -0.67 0.20 0.99 -0.85 0.00 0.00 174.74 174.70 2fjf s THR 172 N 1.66 4.94 0.46 1.30 2.01 -1.26 -0.57 115.64 124.18 2fjf s THR 172 Ca -0.03 -0.36 -0.21 0.00 0.31 0.00 0.00 61.69 61.40 2fjf s THR 172 Cb -0.17 -3.55 -0.09 0.00 0.01 0.00 0.00 72.50 68.69 2fjf s THR 172 CO -0.07 -0.00 1.02 -0.36 -0.69 0.00 0.00 174.62 174.52 2fjf s PHE 173 N 1.66 3.11 0.40 4.92 0.40 0.03 -4.99 117.98 123.53 2fjf s PHE 173 Ca 0.05 1.60 -0.27 0.00 -0.60 0.00 0.00 56.93 57.71 2fjf s PHE 173 Cb -0.17 -3.04 -0.10 0.00 0.51 0.00 0.00 43.02 40.22 2fjf s PHE 173 CO 0.08 -0.65 1.40 -2.30 0.70 0.00 0.00 175.22 174.45 2fjf n PRO 174 N -0.72 2.32 -1.59 0.24 -0.02 -1.26 -4.64 135.00 129.32 2fjf n PRO 174 Ca 0.08 0.82 -0.32 0.00 -2.02 0.00 0.00 63.50 62.05 2fjf n PRO 174 Cb 0.52 -2.55 0.06 0.00 -0.02 0.00 0.00 33.50 31.51 2fjf n PRO 174 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fjf s ALA 175 N -1.15 2.40 0.01 3.55 0.00 -1.26 -4.87 121.76 120.44 2fjf s ALA 175 Ca 0.57 0.45 0.07 0.00 0.00 0.00 0.00 51.96 53.05 2fjf s ALA 175 Cb -0.49 -3.30 -0.02 0.00 0.00 0.00 0.00 23.12 19.31 2fjf s ALA 175 CO 0.61 -1.43 -0.21 0.54 0.00 0.00 0.00 175.76 175.26 2fjf s VAL 176 N -2.54 1.70 -0.21 0.00 0.11 -0.54 -4.96 120.40 113.97 2fjf s VAL 176 Ca 0.65 -1.02 -0.21 0.00 -2.93 0.00 0.00 61.98 58.46 2fjf s VAL 176 Cb -0.19 -1.44 -0.02 0.00 -1.53 0.00 0.00 36.38 33.20 2fjf s VAL 176 CO 0.46 0.39 0.66 -0.22 -3.33 0.00 0.00 175.10 173.07 2fjf s LEU 177 N -0.74 4.13 0.43 2.54 0.20 -1.26 -2.29 118.68 121.68 2fjf s LEU 177 Ca 0.08 0.86 -0.07 0.00 0.69 0.00 0.00 54.13 55.70 2fjf s LEU 177 Cb -0.08 -2.94 -0.05 0.00 -0.43 0.00 0.00 46.19 42.69 2fjf s LEU 177 CO 0.00 -0.32 0.75 -1.10 -0.29 0.00 0.00 176.35 175.39 2fjf s GLN 178 N 2.10 3.63 0.00 1.98 -0.21 -0.38 -4.92 119.66 121.85 2fjf s GLN 178 Ca 0.30 0.25 0.00 0.00 0.02 0.00 0.00 55.36 55.93 2fjf s GLN 178 Cb -0.16 -2.42 0.00 0.00 1.00 0.00 0.00 33.01 31.43 2fjf s GLN 178 CO 0.10 -0.09 0.74 -1.13 -2.12 0.00 0.00 175.29 172.79 2fjf n SER 179 N -1.78 0.00 -0.06 5.90 3.41 -1.26 -1.03 113.62 118.79 2fjf n SER 179 Ca 0.01 0.27 0.12 0.00 -0.26 0.00 0.00 58.87 59.00 2fjf n SER 179 Cb 0.55 -0.27 0.18 0.00 -0.26 0.00 0.00 64.21 64.40 2fjf n SER 179 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2fjf n SER 180 N -1.24 0.76 0.00 4.04 3.41 -1.26 -4.93 113.62 114.40 2fjf n SER 180 Ca 0.00 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 58.04 2fjf n SER 180 Cb 0.05 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.41 2fjf n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2fjf n GLY 181 N 1.47 0.71 3.45 5.00 0.00 -0.20 -5.03 105.19 110.60 2fjf n GLY 181 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2fjf n GLY 181 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2fjf s LEU 182 N 0.00 2.58 0.37 0.99 1.02 -1.25 -4.90 118.68 117.48 2fjf s LEU 182 Ca 0.00 -0.43 -0.05 0.00 0.02 0.00 0.00 54.13 53.67 2fjf s LEU 182 Cb 0.00 -1.50 -0.05 0.00 0.02 0.00 0.00 46.19 44.66 2fjf s LEU 182 CO 0.00 0.26 0.65 -0.31 0.02 0.00 0.00 176.35 176.97 2fjf s TYR 183 N -0.90 3.50 -0.07 0.29 2.02 0.07 -1.25 117.35 121.00 2fjf s TYR 183 Ca 0.14 0.71 -0.15 0.00 -0.37 0.00 0.00 57.07 57.40 2fjf s TYR 183 Cb -0.10 -2.18 0.03 0.00 -0.40 0.00 0.00 41.96 39.31 2fjf s TYR 183 CO 0.05 0.01 0.36 0.45 -1.57 0.00 0.00 175.55 174.85 2fjf s SER 184 N -3.52 -0.30 0.20 2.29 0.15 -0.97 -1.24 113.70 110.31 2fjf s SER 184 Ca 0.45 0.39 -0.12 0.00 0.70 0.00 0.00 55.95 57.38 2fjf s SER 184 Cb -0.10 0.51 -0.00 0.00 -1.71 0.00 0.00 66.02 64.71 2fjf s SER 184 CO 0.35 -0.34 0.39 -1.48 1.20 0.00 0.00 173.24 173.36 2fjf s LEU 185 N -0.73 0.58 0.03 3.45 0.05 0.44 -1.47 118.68 121.03 2fjf s LEU 185 Ca -0.08 -0.83 0.09 0.00 0.05 0.00 0.00 54.13 53.36 2fjf s LEU 185 Cb -0.04 1.55 -0.03 0.00 -2.05 0.00 0.00 46.19 45.62 2fjf s LEU 185 CO 0.03 -1.00 -0.25 -0.44 -0.55 0.00 0.00 176.35 174.13 2fjf s SER 186 N -2.97 3.02 -0.10 1.48 0.01 -1.26 0.14 113.70 114.01 2fjf s SER 186 Ca 0.18 -0.55 0.04 0.00 1.31 0.00 0.00 55.95 56.93 2fjf s SER 186 Cb 0.01 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.96 2fjf s SER 186 CO 0.03 0.26 -0.24 -0.55 0.41 0.00 0.00 173.24 173.15 2fjf s SER 187 N -1.07 3.11 0.32 2.44 0.15 -0.33 -0.79 113.70 117.53 2fjf s SER 187 Ca 0.11 -0.56 0.05 0.00 0.70 0.00 0.00 55.95 56.24 2fjf s SER 187 Cb -0.10 -1.42 -0.06 0.00 -1.71 0.00 0.00 66.02 62.73 2fjf s SER 187 CO 0.01 0.15 0.03 0.68 1.20 0.00 0.00 173.24 175.32 2fjf s VAL 188 N 0.37 1.33 -0.11 4.45 -7.23 0.26 0.06 120.40 119.52 2fjf s VAL 188 Ca -0.18 -2.02 -0.17 0.00 -1.81 0.00 0.00 61.98 57.79 2fjf s VAL 188 Cb -0.18 -2.72 0.04 0.00 0.56 0.00 0.00 36.38 34.08 2fjf s VAL 188 CO 0.08 -0.07 0.44 0.54 -0.31 0.00 0.00 175.10 175.78 2fjf s VAL 189 N -3.21 0.02 -0.16 1.32 0.11 0.77 -0.75 120.40 118.51 2fjf s VAL 189 Ca 0.35 -0.13 -0.07 0.00 -2.93 0.00 0.00 61.98 59.20 2fjf s VAL 189 Cb 0.08 -0.67 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 2fjf s VAL 189 CO 0.15 -0.07 0.07 0.42 -3.33 0.00 0.00 175.10 172.33 2fjf s THR 190 N -0.36 4.86 0.02 5.04 -4.23 -1.17 -1.29 115.64 118.51 2fjf s THR 190 Ca -0.05 -0.02 -0.01 0.00 -1.18 0.00 0.00 61.69 60.43 2fjf s THR 190 Cb -0.03 -3.16 -0.02 0.00 1.34 0.00 0.00 72.50 70.63 2fjf s THR 190 CO 0.03 0.51 -0.01 0.68 -0.54 0.00 0.00 174.62 175.29 2fjf s VAL 191 N -0.06 0.12 0.21 2.29 -7.23 0.77 -4.72 120.40 111.79 2fjf s VAL 191 Ca 0.07 -1.03 -0.32 0.00 -1.81 0.00 0.00 61.98 58.89 2fjf s VAL 191 Cb -0.12 -0.49 -0.12 0.00 0.56 0.00 0.00 36.38 36.20 2fjf s VAL 191 CO 0.01 -0.57 1.67 -0.81 -0.31 0.00 0.00 175.10 175.10 2fjf n PRO 192 N 1.32 2.63 0.05 4.82 -0.04 -1.26 0.42 135.00 142.94 2fjf n PRO 192 Ca -0.22 0.95 0.19 0.00 -0.04 0.00 0.00 63.50 64.37 2fjf n PRO 192 Cb 0.56 -2.77 0.70 0.00 -0.04 0.00 0.00 33.50 31.95 2fjf n PRO 192 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2fjf h SER 193 N 6.30 0.00 0.17 3.54 0.02 -1.54 -0.73 113.55 121.32 2fjf h SER 193 Ca -0.44 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.50 2fjf h SER 193 Cb 1.22 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 2fjf h SER 193 CO 0.92 0.00 -0.03 0.77 -1.14 0.00 0.00 176.83 177.35 2fjf h SER 194 N 0.00 0.00 0.66 3.07 4.64 -1.90 -2.71 113.55 117.30 2fjf h SER 194 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 2fjf h SER 194 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 2fjf h SER 194 CO -0.00 0.03 -0.53 -1.54 -0.87 0.00 0.00 176.83 173.91 2fjf n SER 195 N -3.47 0.54 -4.65 4.97 3.41 -0.28 -4.74 113.62 109.41 2fjf n SER 195 Ca -0.02 -0.06 -0.43 0.00 -0.26 0.00 0.00 58.87 58.09 2fjf n SER 195 Cb 0.13 0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 64.25 2fjf n SER 195 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2fjf s LEU 196 N -3.48 4.05 0.00 1.04 1.43 -1.03 -0.86 118.68 119.83 2fjf s LEU 196 Ca 0.09 1.60 0.00 0.00 -1.03 0.00 0.00 54.13 54.79 2fjf s LEU 196 Cb 0.16 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.84 2fjf s LEU 196 CO 0.70 -0.97 0.00 0.61 0.23 0.00 0.00 176.35 176.92 2fjf n GLY 197 N 4.09 0.44 0.81 -3.19 0.00 -1.26 -4.86 105.19 101.22 2fjf n GLY 197 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.14 2fjf n GLY 197 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2fjf n THR 198 N -1.44 0.98 -2.57 2.61 -2.24 -1.15 -5.02 114.28 105.45 2fjf n THR 198 Ca 0.00 0.19 -0.43 0.00 -2.27 0.00 0.00 64.05 61.55 2fjf n THR 198 Cb 0.00 -1.71 -0.02 0.00 -2.10 0.00 0.00 70.33 66.50 2fjf n THR 198 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2fjf s GLN 199 N -2.19 4.23 0.11 -0.78 2.00 -0.04 -5.03 119.66 117.96 2fjf s GLN 199 Ca -0.08 1.45 -0.14 0.00 -2.00 0.00 0.00 55.36 54.59 2fjf s GLN 199 Cb 0.02 -3.70 -0.07 0.00 0.80 0.00 0.00 33.01 30.07 2fjf s GLN 199 CO 0.11 -0.69 0.51 0.95 -0.50 0.00 0.00 175.29 175.67 2fjf s THR 200 N 3.37 4.91 -0.09 -0.34 -4.23 -1.26 -4.63 115.64 113.35 2fjf s THR 200 Ca 0.48 0.80 0.03 0.00 -1.18 0.00 0.00 61.69 61.83 2fjf s THR 200 Cb -0.17 -3.73 0.01 0.00 1.34 0.00 0.00 72.50 69.94 2fjf s THR 200 CO 0.10 0.32 -0.20 -0.31 -0.54 0.00 0.00 174.62 173.99 2fjf s TYR 201 N -1.37 2.22 -0.07 3.99 2.02 -1.26 -5.00 117.35 117.88 2fjf s TYR 201 Ca 0.34 -0.93 0.02 0.00 -0.37 0.00 0.00 57.07 56.14 2fjf s TYR 201 Cb -0.15 -1.52 0.01 0.00 -0.40 0.00 0.00 41.96 39.90 2fjf s TYR 201 CO 0.18 -0.40 -0.12 0.42 -1.57 0.00 0.00 175.55 174.06 2fjf s ILE 202 N 0.52 1.12 -0.15 2.71 1.01 -1.26 -0.34 121.20 124.81 2fjf s ILE 202 Ca -0.16 -0.47 -0.14 0.00 0.00 0.00 0.00 60.65 59.88 2fjf s ILE 202 Cb -0.17 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.23 2fjf s ILE 202 CO 0.06 0.35 0.31 0.00 0.00 0.00 0.00 174.94 175.66 2fjf s ASN 204 N 0.46 5.90 -0.18 0.00 -0.87 0.23 -1.90 114.94 118.57 2fjf s ASN 204 Ca 0.17 -1.28 -0.08 0.00 -1.57 0.00 0.00 52.86 50.10 2fjf s ASN 204 Cb -0.13 -2.09 -0.04 0.00 -0.02 0.00 0.00 41.25 38.97 2fjf s ASN 204 CO 0.05 -0.54 0.09 -0.69 -2.57 0.00 0.00 177.10 173.44 2fjf s VAL 205 N 1.56 5.09 -0.13 1.60 1.01 0.87 -1.15 120.40 129.25 2fjf s VAL 205 Ca 0.03 0.07 0.02 0.00 0.00 0.00 0.00 61.98 62.11 2fjf s VAL 205 Cb -0.22 -3.30 0.01 0.00 0.00 0.00 0.00 36.38 32.87 2fjf s VAL 205 CO 0.05 0.47 -0.20 0.20 0.00 0.00 0.00 175.10 175.63 2fjf s ASN 206 N 0.21 2.92 -0.47 3.32 0.01 0.65 -1.16 114.94 120.42 2fjf s ASN 206 Ca 0.06 -0.55 0.03 0.00 -0.71 0.00 0.00 52.86 51.69 2fjf s ASN 206 Cb -0.12 -1.34 0.13 0.00 0.41 0.00 0.00 41.25 40.33 2fjf s ASN 206 CO -0.00 0.06 0.22 -2.28 -1.51 0.00 0.00 177.10 173.58 2fjf s HIS 207 N 0.89 2.88 0.13 2.20 5.65 -0.14 -0.77 115.29 126.13 2fjf s HIS 207 Ca -0.06 -2.90 -0.19 0.00 0.25 0.00 0.00 55.06 52.16 2fjf s HIS 207 Cb -0.15 -2.55 -0.03 0.00 -1.18 0.00 0.00 32.58 28.67 2fjf s HIS 207 CO -0.02 -0.78 1.76 0.87 -0.65 0.00 0.00 174.74 175.91 2fjf h LYS 208 N 6.77 0.20 -0.76 2.88 1.57 -1.81 -1.56 116.57 123.86 2fjf h LYS 208 Ca -0.06 -0.01 0.09 0.00 -1.87 0.00 0.00 60.65 58.80 2fjf h LYS 208 Cb 0.92 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 33.14 2fjf h LYS 208 CO 0.60 0.13 0.50 -1.35 -0.57 0.00 0.00 179.45 178.77 2fjf h PRO 209 N 0.21 0.68 -0.24 3.15 0.11 -1.91 0.27 132.00 134.27 2fjf h PRO 209 Ca 0.09 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.16 2fjf h PRO 209 Cb 0.04 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.00 2fjf h PRO 209 CO -0.08 0.45 0.00 -1.13 -0.21 0.00 0.00 178.00 177.03 2fjf n SER 210 N -4.50 2.71 -3.55 -2.05 3.41 -1.18 -4.98 113.62 103.49 2fjf n SER 210 Ca 0.12 -1.88 -0.20 0.00 -0.26 0.00 0.00 58.87 56.66 2fjf n SER 210 Cb 0.31 -0.15 0.06 0.00 -0.26 0.00 0.00 64.21 64.17 2fjf n SER 210 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2fjf n ASN 211 N 1.03 -2.70 -4.20 4.04 5.15 0.08 -4.85 115.26 113.81 2fjf n ASN 211 Ca 0.18 -0.77 -0.33 0.00 -0.60 0.00 0.00 54.58 53.06 2fjf n ASN 211 Cb 0.50 -4.48 -0.16 0.00 -0.53 0.00 0.00 39.78 35.12 2fjf n ASN 211 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2fjf s THR 212 N -3.52 2.46 -0.19 -0.44 2.01 -0.64 -5.02 115.64 110.30 2fjf s THR 212 Ca 0.12 -0.82 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 2fjf s THR 212 Cb -0.03 -2.05 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 2fjf s THR 212 CO 0.78 0.51 -0.07 -0.75 -0.69 0.00 0.00 174.62 174.41 2fjf s LYS 213 N 1.11 3.39 -0.05 4.92 2.20 -1.26 -0.96 119.74 129.09 2fjf s LYS 213 Ca 0.00 -0.64 0.03 0.00 -0.36 0.00 0.00 55.97 55.00 2fjf s LYS 213 Cb -0.14 -2.89 0.01 0.00 -1.51 0.00 0.00 37.83 33.29 2fjf s LYS 213 CO -0.06 -0.06 -0.11 0.08 -0.36 0.00 0.00 175.35 174.84 2fjf s VAL 214 N 1.09 1.03 -0.14 4.02 1.01 -0.31 -5.02 120.40 122.08 2fjf s VAL 214 Ca 0.01 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2fjf s VAL 214 Cb -0.15 -0.93 -0.00 0.00 0.00 0.00 0.00 36.38 35.30 2fjf s VAL 214 CO -0.01 0.32 -0.17 -1.81 0.00 0.00 0.00 175.10 173.43 2fjf s ASP 215 N 0.42 3.57 -0.13 3.32 1.01 -1.26 -0.09 116.67 123.51 2fjf s ASP 215 Ca -0.09 -0.47 0.00 0.00 0.71 0.00 0.00 52.55 52.71 2fjf s ASP 215 Cb -0.13 -1.53 0.02 0.00 1.01 0.00 0.00 42.92 42.30 2fjf s ASP 215 CO 0.02 0.12 -0.11 -0.75 0.21 0.00 0.00 175.17 174.66 2fjf s LYS 216 N 0.60 1.92 -0.12 8.23 2.47 -0.80 -4.98 119.74 127.07 2fjf s LYS 216 Ca -0.10 -0.42 -0.30 0.00 -1.56 0.00 0.00 55.97 53.60 2fjf s LYS 216 Cb -0.16 -1.83 -0.01 0.00 -1.46 0.00 0.00 37.83 34.36 2fjf s LYS 216 CO 0.03 -0.23 1.08 0.21 0.16 0.00 0.00 175.35 176.60 2fjf s LYS 217 N 1.52 4.37 -0.33 4.03 2.20 -1.26 -1.72 119.74 128.55 2fjf s LYS 217 Ca 0.03 1.47 -0.06 0.00 -0.36 0.00 0.00 55.97 57.05 2fjf s LYS 217 Cb -0.13 -3.58 0.03 0.00 -1.51 0.00 0.00 37.83 32.65 2fjf s LYS 217 CO -0.08 -0.42 0.10 0.08 -0.36 0.00 0.00 175.35 174.66 2fjf s VAL 218 N 2.35 3.79 0.16 4.02 1.01 0.54 -4.91 120.40 127.35 2fjf s VAL 218 Ca 0.50 -1.06 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2fjf s VAL 218 Cb -0.20 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 2fjf s VAL 218 CO 0.17 -0.13 -0.03 -1.83 0.00 0.00 0.00 175.10 173.28 2fjf s GLU 219 N 1.41 1.08 0.38 2.72 -1.05 -1.26 -4.20 118.70 117.78 2fjf s GLU 219 Ca -0.01 -1.50 -0.28 0.00 -0.15 0.00 0.00 54.97 53.03 2fjf s GLU 219 Cb -0.19 -0.37 -0.10 0.00 -0.44 0.00 0.00 34.13 33.03 2fjf s GLU 219 CO 0.03 -0.07 1.40 -2.14 0.95 0.00 0.00 175.26 175.42 2fjf s PRO 220 N -3.86 4.10 0.12 -4.83 0.02 -1.26 -4.51 135.00 124.77 2fjf s PRO 220 Ca 0.21 2.38 -0.02 0.00 0.02 0.00 0.00 61.00 63.59 2fjf s PRO 220 Cb 0.05 -2.92 0.03 0.00 0.02 0.00 0.00 34.50 31.68 2fjf s PRO 220 CO 0.02 -0.47 0.11 1.63 -0.33 0.00 0.00 177.00 177.97 2fjf n LYS 221 N 0.41 -1.04 -0.02 5.54 4.01 -1.26 -5.00 118.16 120.80 2fjf n LYS 221 Ca 0.02 -0.18 -0.17 0.00 -0.51 0.00 0.00 58.31 57.47 2fjf n LYS 221 Cb 0.41 -0.16 -0.09 0.00 -0.51 0.00 0.00 35.03 34.69 2fjf n LYS 221 CO 0.00 0.00 0.00 0.66 -1.11 0.00 0.00 177.40 176.95 2fjf h SER 222 N -1.01 0.72 0.00 4.39 4.64 -2.01 -3.52 113.55 116.76 2fjf h SER 222 Ca -0.04 -0.66 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 2fjf h SER 222 Cb 0.12 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.00 2fjf h SER 222 CO 0.03 1.27 0.00 0.00 -0.87 0.00 0.00 176.83 177.25