#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 3.03 0.05 6.31 1.01 -1.26 -4.17 120.40 125.37 2fjf s VAL 2 Ca 0.00 0.10 -0.27 0.00 0.00 0.00 0.00 61.98 61.81 2fjf s VAL 2 Cb 0.00 -3.06 0.09 0.00 0.00 0.00 0.00 36.38 33.41 2fjf s VAL 2 CO 0.00 -0.01 0.85 0.00 0.00 0.00 0.00 175.10 175.94 2fjf s GLN 3 N 4.23 0.96 -0.17 2.72 -2.07 -0.83 -5.01 119.66 119.48 2fjf s GLN 3 Ca 0.86 -0.39 0.01 0.00 -1.82 0.00 0.00 55.36 54.02 2fjf s GLN 3 Cb -0.42 0.42 0.03 0.00 -1.09 0.00 0.00 33.01 31.95 2fjf s GLN 3 CO 0.40 -0.43 -0.13 -0.51 -1.32 0.00 0.00 175.29 173.30 2fjf s LEU 4 N -2.60 1.98 -0.13 2.60 1.02 -1.26 -1.63 118.68 118.67 2fjf s LEU 4 Ca 0.05 -0.67 0.01 0.00 0.02 0.00 0.00 54.13 53.54 2fjf s LEU 4 Cb -0.01 -1.23 -0.01 0.00 0.02 0.00 0.00 46.19 44.96 2fjf s LEU 4 CO -0.08 -0.09 -0.16 -0.69 0.02 0.00 0.00 176.35 175.35 2fjf s VAL 5 N 1.43 2.69 0.10 -1.59 1.01 -0.15 -4.06 120.40 119.84 2fjf s VAL 5 Ca 0.02 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2fjf s VAL 5 Cb -0.14 -2.11 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2fjf s VAL 5 CO -0.10 0.53 0.17 -1.61 0.00 0.00 0.00 175.10 174.09 2fjf s GLU 6 N 0.48 3.17 0.27 2.72 2.02 -1.26 0.15 118.70 126.26 2fjf s GLU 6 Ca -0.11 -0.62 -0.11 0.00 0.02 0.00 0.00 54.97 54.14 2fjf s GLU 6 Cb -0.16 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.20 2fjf s GLU 6 CO 0.05 0.56 0.50 -1.54 0.02 0.00 0.00 175.26 174.84 2fjf s SER 7 N -2.70 0.07 0.00 -0.19 1.04 -0.99 -4.89 113.70 106.03 2fjf s SER 7 Ca 0.32 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.73 2fjf s SER 7 Cb -0.12 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2fjf s SER 7 CO 0.25 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.89 2fjf n GLY 8 N -0.42 1.72 3.82 7.32 0.00 -1.26 0.33 105.19 116.70 2fjf n GLY 8 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.03 1.98 0.00 -0.02 0.00 -1.26 -4.47 107.32 101.52 2fjf s GLY 9 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 44.72 44.97 2fjf s GLY 9 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 173.10 174.26 2fjf n GLY 10 N -1.44 0.74 3.76 0.20 0.00 -0.92 -4.88 105.19 102.64 2fjf n GLY 10 Ca 0.08 -0.72 -0.37 0.00 0.00 0.00 0.00 46.02 45.00 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 4.33 0.06 0.99 0.20 -1.26 -1.48 118.68 121.52 2fjf s LEU 11 Ca 0.00 0.78 0.00 0.00 0.69 0.00 0.00 54.13 55.60 2fjf s LEU 11 Cb 0.00 -2.57 -0.04 0.00 -0.43 0.00 0.00 46.19 43.16 2fjf s LEU 11 CO 0.00 0.14 -0.05 0.68 -0.29 0.00 0.00 176.35 176.83 2fjf s VAL 12 N -0.00 0.37 0.52 1.68 -7.23 -0.31 -4.99 120.40 110.44 2fjf s VAL 12 Ca 0.23 -1.61 -0.19 0.00 -1.81 0.00 0.00 61.98 58.60 2fjf s VAL 12 Cb -0.15 -1.24 -0.07 0.00 0.56 0.00 0.00 36.38 35.48 2fjf s VAL 12 CO 0.10 -0.81 1.08 -1.10 -0.31 0.00 0.00 175.10 174.05 2fjf s GLN 13 N -3.21 3.55 0.12 4.82 -1.52 -1.26 -2.21 119.66 119.96 2fjf s GLN 13 Ca 0.02 1.44 -0.35 0.00 -1.95 0.00 0.00 55.36 54.52 2fjf s GLN 13 Cb 0.02 -2.05 -0.15 0.00 -0.22 0.00 0.00 33.01 30.61 2fjf s GLN 13 CO -0.06 -0.65 1.48 -2.30 -0.25 0.00 0.00 175.29 173.51 2fjf n PRO 14 N -1.24 1.70 0.00 2.91 -0.02 -1.26 -0.97 135.00 136.12 2fjf n PRO 14 Ca 0.10 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.19 2fjf n PRO 14 Cb 0.52 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 3.06 0.37 3.91 -1.23 0.00 0.37 -4.89 105.19 106.78 2fjf n GLY 15 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2fjf n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fjf s GLY 16 N -2.03 1.80 0.03 -0.02 0.00 -0.14 -3.87 107.32 103.07 2fjf s GLY 16 Ca 0.00 -1.28 0.09 0.00 0.00 0.00 0.00 44.72 43.53 2fjf s GLY 16 CO 0.00 -0.45 -0.25 -0.56 0.00 0.00 0.00 173.10 171.84 2fjf s SER 17 N -4.86 3.03 0.01 1.64 0.01 -1.26 -1.99 113.70 110.27 2fjf s SER 17 Ca 0.76 -0.55 -0.04 0.00 1.31 0.00 0.00 55.95 57.43 2fjf s SER 17 Cb -0.03 -0.29 -0.01 0.00 0.21 0.00 0.00 66.02 65.90 2fjf s SER 17 CO 0.54 0.26 0.07 -0.76 0.41 0.00 0.00 173.24 173.76 2fjf s LEU 18 N -1.05 1.83 -0.32 2.44 1.43 -0.60 -5.01 118.68 117.39 2fjf s LEU 18 Ca 0.11 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 2fjf s LEU 18 Cb -0.10 0.42 0.10 0.00 0.03 0.00 0.00 46.19 46.64 2fjf s LEU 18 CO 0.01 -0.31 0.05 -0.60 0.23 0.00 0.00 176.35 175.73 2fjf s ARG 19 N -1.28 1.29 0.36 1.70 3.52 -1.26 0.11 118.95 123.39 2fjf s ARG 19 Ca -0.14 -1.59 -0.26 0.00 -0.13 0.00 0.00 55.73 53.60 2fjf s ARG 19 Cb -0.08 -2.83 -0.09 0.00 -1.56 0.00 0.00 34.95 30.39 2fjf s ARG 19 CO 0.00 -0.93 1.13 -0.51 -0.81 0.00 0.00 175.30 174.19 2fjf s LEU 20 N 1.13 4.29 0.14 -0.88 1.02 -0.37 -4.53 118.68 119.49 2fjf s LEU 20 Ca 0.09 2.28 0.10 0.00 0.02 0.00 0.00 54.13 56.63 2fjf s LEU 20 Cb -0.19 -3.93 -0.04 0.00 0.02 0.00 0.00 46.19 42.06 2fjf s LEU 20 CO -0.13 -0.49 -0.25 -0.44 0.02 0.00 0.00 176.35 175.07 2fjf s SER 21 N -1.11 3.17 -0.35 2.29 0.01 0.15 -1.51 113.70 116.35 2fjf s SER 21 Ca 0.53 -0.76 0.01 0.00 1.31 0.00 0.00 55.95 57.04 2fjf s SER 21 Cb -0.30 -0.21 0.14 0.00 0.21 0.00 0.00 66.02 65.87 2fjf s SER 21 CO 0.38 0.14 0.26 0.00 0.41 0.00 0.00 173.24 174.43 2fjf s ALA 23 N 1.24 3.53 0.12 0.00 0.00 0.12 -1.04 121.76 125.73 2fjf s ALA 23 Ca 0.17 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 51.75 2fjf s ALA 23 Cb -0.20 -2.95 -0.06 0.00 0.00 0.00 0.00 23.12 19.91 2fjf s ALA 23 CO -0.02 -0.51 0.47 0.00 0.00 0.00 0.00 175.76 175.70 2fjf s ALA 24 N 1.81 3.65 0.02 0.00 0.00 -0.66 -0.97 121.76 125.61 2fjf s ALA 24 Ca 0.29 -0.26 0.02 0.00 0.00 0.00 0.00 51.96 52.00 2fjf s ALA 24 Cb -0.16 -2.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.56 2fjf s ALA 24 CO 0.11 0.51 -0.07 -1.12 0.00 0.00 0.00 175.76 175.19 2fjf s SER 25 N -1.78 0.78 0.00 0.00 0.01 -0.64 -4.86 113.70 107.20 2fjf s SER 25 Ca 0.36 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 57.24 2fjf s SER 25 Cb -0.14 -0.00 0.00 0.00 0.21 0.00 0.00 66.02 66.08 2fjf s SER 25 CO 0.19 -0.10 0.00 0.61 0.41 0.00 0.00 173.24 174.35 2fjf n GLY 26 N 2.02 1.95 3.54 3.44 0.00 -1.26 -1.97 105.19 112.91 2fjf n GLY 26 Ca -0.19 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.38 1.00 -0.35 1.61 -0.71 -1.26 -4.70 117.98 110.18 2fjf s PHE 27 Ca 0.00 -1.28 -0.06 0.00 -1.04 0.00 0.00 56.93 54.55 2fjf s PHE 27 Cb 0.00 0.05 0.05 0.00 -1.21 0.00 0.00 43.02 41.90 2fjf s PHE 27 CO 0.00 -1.24 0.12 0.99 -1.34 0.00 0.00 175.22 173.74 2fjf s THR 28 N -2.77 3.74 0.45 -4.49 2.01 -1.26 -4.95 115.64 108.37 2fjf s THR 28 Ca 0.29 -1.21 0.31 0.00 0.31 0.00 0.00 61.69 61.38 2fjf s THR 28 Cb -0.01 -3.16 0.50 0.00 0.01 0.00 0.00 72.50 69.84 2fjf s THR 28 CO 0.21 -0.23 1.66 0.16 -0.69 0.00 0.00 174.62 175.73 2fjf h ILE 29 N 6.20 0.20 0.00 1.82 -0.00 -1.94 -0.24 117.51 123.55 2fjf h ILE 29 Ca -0.23 -0.04 0.00 0.00 -0.00 0.00 0.00 64.86 64.59 2fjf h ILE 29 Cb 1.08 0.07 0.00 0.00 -0.00 0.00 0.00 36.82 37.97 2fjf h ILE 29 CO 0.61 0.02 0.00 -1.54 -0.00 0.00 0.00 178.15 177.25 2fjf n SER 30 N -4.56 0.00 -0.00 2.16 3.41 -1.26 -1.19 113.62 112.18 2fjf n SER 30 Ca 0.35 0.48 0.14 0.00 -0.26 0.00 0.00 58.87 59.58 2fjf n SER 30 Cb 1.38 -0.49 0.60 0.00 -0.26 0.00 0.00 64.21 65.44 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 -1.49 0.04 -4.32 4.04 8.00 -0.10 0.21 116.55 122.93 2fjf n ASP 31 Ca 0.06 0.41 -0.18 0.00 0.71 0.00 0.00 54.79 55.79 2fjf n ASP 31 Cb 0.27 -0.44 -0.10 0.00 -0.02 0.00 0.00 41.12 40.83 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 -2.97 1.61 0.36 1.24 1.51 -0.33 -4.81 117.35 113.96 2fjf s TYR 32 Ca 0.15 -0.59 -0.27 0.00 -1.01 0.00 0.00 57.07 55.34 2fjf s TYR 32 Cb 0.19 -0.77 -0.09 0.00 -0.11 0.00 0.00 41.96 41.17 2fjf s TYR 32 CO 0.54 0.29 1.26 -1.58 -1.11 0.00 0.00 175.55 174.94 2fjf s TRP 33 N -2.89 3.06 -0.14 2.71 0.52 0.15 -3.54 118.94 118.82 2fjf s TRP 33 Ca 0.20 1.47 -0.02 0.00 0.02 0.00 0.00 56.10 57.77 2fjf s TRP 33 Cb -0.01 -3.58 -0.02 0.00 -1.15 0.00 0.00 33.47 28.71 2fjf s TRP 33 CO 0.05 -1.66 -0.07 0.42 0.02 0.00 0.00 176.95 175.71 2fjf s ILE 34 N -1.22 3.57 -0.01 2.03 -1.09 -0.84 -1.46 121.20 122.18 2fjf s ILE 34 Ca 0.52 -0.48 0.03 0.00 -2.23 0.00 0.00 60.65 58.49 2fjf s ILE 34 Cb -0.37 -2.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.94 2fjf s ILE 34 CO 0.48 0.51 -0.06 -1.00 -1.23 0.00 0.00 174.94 173.64 2fjf s HIS 35 N 0.28 2.90 -0.19 3.97 3.76 0.07 -1.46 115.29 124.63 2fjf s HIS 35 Ca -0.06 -0.02 -0.08 0.00 -0.15 0.00 0.00 55.06 54.75 2fjf s HIS 35 Cb -0.15 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.87 2fjf s HIS 35 CO 0.04 0.37 0.07 -1.58 -0.85 0.00 0.00 174.74 172.79 2fjf s TRP 36 N -0.97 3.25 -0.04 1.40 0.52 0.03 -1.54 118.94 121.59 2fjf s TRP 36 Ca 0.16 0.06 0.01 0.00 0.02 0.00 0.00 56.10 56.34 2fjf s TRP 36 Cb -0.11 -2.10 0.02 0.00 -1.15 0.00 0.00 33.47 30.14 2fjf s TRP 36 CO 0.06 0.12 -0.02 0.08 0.02 0.00 0.00 176.95 177.21 2fjf s VAL 37 N 0.47 0.39 0.21 4.03 1.01 0.12 0.17 120.40 126.80 2fjf s VAL 37 Ca 0.03 -0.03 0.10 0.00 0.00 0.00 0.00 61.98 62.08 2fjf s VAL 37 Cb -0.13 -0.45 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 2fjf s VAL 37 CO 0.01 0.20 -0.09 0.00 0.00 0.00 0.00 175.10 175.21 2fjf s ARG 38 N 1.03 2.04 -0.35 2.72 1.70 0.10 -0.04 118.95 126.15 2fjf s ARG 38 Ca -0.10 -1.38 -0.00 0.00 -0.47 0.00 0.00 55.73 53.78 2fjf s ARG 38 Cb -0.14 -2.10 0.12 0.00 -0.57 0.00 0.00 34.95 32.26 2fjf s ARG 38 CO -0.01 0.40 0.16 -1.14 -1.08 0.00 0.00 175.30 173.64 2fjf s GLN 39 N -3.10 0.72 0.48 3.89 0.74 0.80 -0.67 119.66 122.51 2fjf s GLN 39 Ca 0.27 -1.25 -0.23 0.00 0.05 0.00 0.00 55.36 54.19 2fjf s GLN 39 Cb -0.08 -1.77 -0.08 0.00 1.10 0.00 0.00 33.01 32.18 2fjf s GLN 39 CO 0.16 -1.08 1.14 0.00 -0.55 0.00 0.00 175.29 174.95 2fjf n ALA 40 N 4.43 0.75 -1.60 1.58 0.00 -1.26 -2.11 120.51 122.30 2fjf n ALA 40 Ca 0.03 0.18 -0.60 0.00 0.00 0.00 0.00 53.44 53.04 2fjf n ALA 40 Cb 0.39 -2.19 -0.09 0.00 0.00 0.00 0.00 19.45 17.56 2fjf n ALA 40 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2fjf n PRO 41 N -0.28 0.56 -1.47 0.00 -0.02 -1.26 -0.41 135.00 132.12 2fjf n PRO 41 Ca 0.09 0.19 -0.13 0.00 -2.02 0.00 0.00 63.50 61.63 2fjf n PRO 41 Cb 0.42 -1.85 -0.05 0.00 -0.02 0.00 0.00 33.50 32.00 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 5.06 1.25 2.31 -1.23 0.00 -1.26 -5.01 105.19 106.31 2fjf n GLY 42 Ca 0.35 -0.39 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 2fjf n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2fjf n LYS 43 N -2.58 1.21 -0.01 1.61 4.76 0.45 -5.17 118.16 118.44 2fjf n LYS 43 Ca -0.14 -2.34 0.00 0.00 -2.87 0.00 0.00 58.31 52.96 2fjf n LYS 43 Cb 0.46 0.61 0.00 0.00 -1.84 0.00 0.00 35.03 34.26 2fjf n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2fjf n GLY 44 N 1.15 -0.13 3.57 0.72 0.00 -1.26 -4.68 105.19 104.56 2fjf n GLY 44 Ca -0.13 -1.73 -0.36 0.00 0.00 0.00 0.00 46.02 43.80 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 3.79 -0.22 0.99 1.43 -1.26 -4.23 118.68 119.18 2fjf s LEU 45 Ca 0.00 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.06 2fjf s LEU 45 Cb 0.00 -2.01 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2fjf s LEU 45 CO 0.00 0.04 -0.08 -0.70 0.23 0.00 0.00 176.35 175.84 2fjf s GLU 46 N 1.16 3.19 0.22 1.70 2.12 0.16 -4.93 118.70 122.31 2fjf s GLU 46 Ca 0.06 -0.74 -0.30 0.00 0.36 0.00 0.00 54.97 54.35 2fjf s GLU 46 Cb -0.14 -2.90 -0.09 0.00 0.26 0.00 0.00 34.13 31.26 2fjf s GLU 46 CO 0.04 -0.24 1.37 -0.46 -0.54 0.00 0.00 175.26 175.44 2fjf s TRP 47 N 1.41 3.15 -0.16 5.30 -0.00 -1.26 0.01 118.94 127.38 2fjf s TRP 47 Ca 0.05 1.13 -0.09 0.00 -0.00 0.00 0.00 56.10 57.18 2fjf s TRP 47 Cb -0.14 -3.70 -0.07 0.00 -0.00 0.00 0.00 33.47 29.56 2fjf s TRP 47 CO -0.06 -2.24 -0.22 0.28 -0.00 0.00 0.00 176.95 174.71 2fjf n VAL 48 N 2.52 1.01 -3.45 5.86 0.31 0.13 -4.64 118.33 120.08 2fjf n VAL 48 Ca 0.07 -0.17 -0.13 0.00 -0.01 0.00 0.00 64.34 64.09 2fjf n VAL 48 Cb 0.42 -1.78 -0.03 0.00 -0.91 0.00 0.00 33.84 31.54 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 -2.35 -1.60 -0.02 3.52 0.00 -1.15 -0.74 121.76 119.42 2fjf s ALA 49 Ca -0.23 0.61 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 2fjf s ALA 49 Cb 0.08 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.93 2fjf s ALA 49 CO 0.30 -0.69 0.09 0.20 0.00 0.00 0.00 175.76 175.66 2fjf s GLY 50 N -2.47 -0.01 -0.05 0.00 0.00 -0.63 -0.79 107.32 103.37 2fjf s GLY 50 Ca -0.01 0.07 0.05 0.00 0.00 0.00 0.00 44.72 44.83 2fjf s GLY 50 CO -0.09 0.01 -0.20 -1.50 0.00 0.00 0.00 173.10 171.32 2fjf s ILE 51 N -0.47 1.68 0.65 0.90 2.07 -0.53 -0.91 121.20 124.60 2fjf s ILE 51 Ca -0.05 -0.85 -0.12 0.00 -1.41 0.00 0.00 60.65 58.21 2fjf s ILE 51 Cb -0.03 -1.44 -0.01 0.00 0.13 0.00 0.00 42.46 41.10 2fjf s ILE 51 CO 0.00 0.48 1.05 -0.89 -1.91 0.00 0.00 174.94 173.67 2fjf s THR 52 N 0.01 4.07 0.31 4.00 2.01 -0.14 -1.98 115.64 123.92 2fjf s THR 52 Ca -0.05 0.76 -0.27 0.00 0.31 0.00 0.00 61.69 62.44 2fjf s THR 52 Cb -0.13 -3.46 -0.13 0.00 0.01 0.00 0.00 72.50 68.79 2fjf s THR 52 CO 0.03 -0.79 1.02 -2.65 -0.69 0.00 0.00 174.62 171.54 2fjf n PRO 53 N -2.73 1.39 -0.89 4.92 -0.02 -1.23 -1.83 135.00 134.62 2fjf n PRO 53 Ca 0.08 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2fjf n PRO 53 Cb 0.53 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 0.11 0.00 -2.05 3.55 0.00 0.13 -3.13 120.51 119.12 2fjf n ALA 54 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.46 2fjf n ALA 54 Cb 0.33 -1.07 -0.01 0.00 0.00 0.00 0.00 19.45 18.70 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 -0.46 0.16 0.12 0.00 0.00 -0.76 -4.96 105.19 99.29 2fjf n GLY 55 Ca 0.00 -0.62 -0.04 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 0.04 -3.78 -0.02 0.00 -1.71 -3.47 103.07 94.13 2fjf h GLY 56 Ca -0.16 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.04 2fjf h GLY 56 CO 0.19 0.05 -0.06 -0.47 0.00 0.00 0.00 176.54 176.26 2fjf s TYR 57 N -3.33 -0.33 0.12 5.60 5.04 -1.26 -5.00 117.35 118.19 2fjf s TYR 57 Ca -0.01 0.35 0.09 0.00 -2.44 0.00 0.00 57.07 55.06 2fjf s TYR 57 Cb 0.12 0.26 -0.04 0.00 0.35 0.00 0.00 41.96 42.65 2fjf s TYR 57 CO 0.79 -0.58 -0.21 0.95 -1.34 0.00 0.00 175.55 175.15 2fjf s THR 58 N -2.32 1.84 0.06 4.34 -4.23 -1.26 -0.97 115.64 113.09 2fjf s THR 58 Ca -0.06 -1.66 0.01 0.00 -1.18 0.00 0.00 61.69 58.80 2fjf s THR 58 Cb -0.01 -1.70 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 2fjf s THR 58 CO -0.01 -0.09 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.61 2fjf s TYR 59 N -1.34 0.69 -0.04 3.99 1.51 -0.09 -4.99 117.35 117.09 2fjf s TYR 59 Ca 0.10 -0.72 -0.06 0.00 -1.01 0.00 0.00 57.07 55.38 2fjf s TYR 59 Cb -0.09 -0.42 0.01 0.00 -0.11 0.00 0.00 41.96 41.35 2fjf s TYR 59 CO 0.05 -0.15 0.15 0.71 -1.11 0.00 0.00 175.55 175.20 2fjf s TYR 60 N -2.50 -0.11 0.58 2.71 1.51 -1.26 -1.60 117.35 116.68 2fjf s TYR 60 Ca -0.01 0.27 -0.20 0.00 -1.01 0.00 0.00 57.07 56.13 2fjf s TYR 60 Cb -0.02 0.03 -0.04 0.00 -0.11 0.00 0.00 41.96 41.82 2fjf s TYR 60 CO -0.03 -0.13 1.24 0.00 -1.11 0.00 0.00 175.55 175.52 2fjf s ALA 61 N -0.29 2.60 0.17 3.71 0.00 0.08 -4.78 121.76 123.24 2fjf s ALA 61 Ca -0.04 1.09 -0.16 0.00 0.00 0.00 0.00 51.96 52.85 2fjf s ALA 61 Cb -0.03 -3.48 0.11 0.00 0.00 0.00 0.00 23.12 19.72 2fjf s ALA 61 CO 0.01 -1.22 1.67 -0.44 0.00 0.00 0.00 175.76 175.78 2fjf h ASP 62 N 1.04 -0.31 -0.27 0.00 3.45 -1.94 -0.46 116.42 117.92 2fjf h ASP 62 Ca -0.51 0.12 0.08 0.00 0.43 0.00 0.00 57.03 57.15 2fjf h ASP 62 Cb 1.30 0.23 -0.01 0.00 -0.56 0.00 0.00 39.33 40.29 2fjf h ASP 62 CO 0.56 -0.11 0.58 0.77 -1.57 0.00 0.00 179.24 179.47 2fjf h SER 63 N 0.03 0.00 0.00 6.45 4.64 -1.97 -2.52 113.55 120.19 2fjf h SER 63 Ca 0.20 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.52 2fjf h SER 63 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 2fjf h SER 63 CO -0.40 0.00 -0.73 0.52 -0.87 0.00 0.00 176.83 175.35 2fjf n VAL 64 N -3.15 0.00 -1.68 0.95 0.31 -0.79 -4.98 118.33 108.99 2fjf n VAL 64 Ca 0.05 -0.12 -0.47 0.00 -0.01 0.00 0.00 64.34 63.78 2fjf n VAL 64 Cb 0.70 0.62 -0.04 0.00 -0.91 0.00 0.00 33.84 34.20 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 -1.34 2.22 0.00 5.55 4.81 -0.25 -1.40 118.16 127.75 2fjf n LYS 65 Ca 0.00 0.81 0.00 0.00 -0.87 0.00 0.00 58.31 58.25 2fjf n LYS 65 Cb 0.00 -2.63 0.00 0.00 0.02 0.00 0.00 35.03 32.42 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 4.04 1.79 0.06 3.14 0.00 -1.26 -4.86 105.19 108.09 2fjf n GLY 66 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 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 0.60 -4.13 1.61 1.74 -0.49 -5.02 116.66 108.97 2fjf n ARG 67 Ca 0.00 0.06 -0.31 0.00 -0.77 0.00 0.00 57.85 56.83 2fjf n ARG 67 Cb 0.00 -1.24 -0.08 0.00 -1.02 0.00 0.00 32.46 30.12 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 -2.24 3.12 -0.10 -1.55 0.40 -0.99 -1.60 117.98 115.01 2fjf s PHE 68 Ca -0.15 0.07 0.04 0.00 -0.60 0.00 0.00 56.93 56.29 2fjf s PHE 68 Cb 0.04 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.95 2fjf s PHE 68 CO 0.30 0.50 -0.22 0.99 0.70 0.00 0.00 175.22 177.48 2fjf s THR 69 N -1.27 1.96 -0.14 0.64 2.01 0.56 -4.90 115.64 114.50 2fjf s THR 69 Ca 0.25 -0.95 -0.07 0.00 0.31 0.00 0.00 61.69 61.23 2fjf s THR 69 Cb -0.12 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.65 2fjf s THR 69 CO 0.17 0.54 0.11 -0.51 -0.69 0.00 0.00 174.62 174.23 2fjf s ILE 70 N 0.44 5.21 0.00 1.82 2.07 -1.26 0.02 121.20 129.49 2fjf s ILE 70 Ca -0.17 0.10 0.00 0.00 -1.41 0.00 0.00 60.65 59.17 2fjf s ILE 70 Cb -0.17 -3.29 0.00 0.00 0.13 0.00 0.00 42.46 39.13 2fjf s ILE 70 CO 0.07 0.57 0.00 -0.24 -1.91 0.00 0.00 174.94 173.43 2fjf n SER 71 N 2.46 0.00 -3.46 4.50 2.88 -0.96 -4.98 113.62 114.06 2fjf n SER 71 Ca -0.19 -0.90 -0.11 0.00 -1.33 0.00 0.00 58.87 56.34 2fjf n SER 71 Cb 0.54 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.98 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 -1.14 -1.59 -0.29 -1.46 0.00 -1.26 -1.17 121.76 114.85 2fjf s ALA 72 Ca 0.00 0.46 0.03 0.00 0.00 0.00 0.00 51.96 52.45 2fjf s ALA 72 Cb 0.00 0.85 0.08 0.00 0.00 0.00 0.00 23.12 24.05 2fjf s ALA 72 CO 0.00 -0.79 -0.02 0.34 0.00 0.00 0.00 175.76 175.30 2fjf s ASP 73 N -2.75 4.44 0.35 0.00 -1.08 0.66 -4.95 116.67 113.34 2fjf s ASP 73 Ca 0.02 -1.69 0.06 0.00 -0.52 0.00 0.00 52.55 50.42 2fjf s ASP 73 Cb -0.01 -1.46 0.65 0.00 -1.46 0.00 0.00 42.92 40.64 2fjf s ASP 73 CO -0.11 -0.29 1.88 0.71 0.52 0.00 0.00 175.17 177.87 2fjf h THR 74 N 6.66 1.19 0.00 1.71 1.35 -1.96 -1.76 112.91 120.11 2fjf h THR 74 Ca -0.12 -0.81 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 2fjf h THR 74 Cb 1.04 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2fjf h THR 74 CO 0.48 0.27 0.00 0.77 -0.25 0.00 0.00 175.52 176.78 2fjf h SER 75 N 0.41 0.00 -0.02 5.36 4.64 -1.95 -0.55 113.55 121.44 2fjf h SER 75 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2fjf h SER 75 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 2fjf h SER 75 CO 0.02 0.00 -0.09 0.29 -0.87 0.00 0.00 176.83 176.18 2fjf n LYS 76 N -2.93 1.52 -4.26 4.77 5.02 -0.85 -4.99 118.16 116.45 2fjf n LYS 76 Ca 0.00 -1.39 -0.34 0.00 -2.02 0.00 0.00 58.31 54.56 2fjf n LYS 76 Cb 0.24 -1.33 -0.06 0.00 -0.02 0.00 0.00 35.03 33.86 2fjf n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2fjf n ASN 77 N 0.73 -1.13 -3.99 4.39 4.05 -0.22 -4.79 115.26 114.31 2fjf n ASN 77 Ca 0.10 -1.14 -0.21 0.00 0.45 0.00 0.00 54.58 53.78 2fjf n ASN 77 Cb 0.43 -2.25 -0.16 0.00 1.23 0.00 0.00 39.78 39.02 2fjf n ASN 77 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2fjf s THR 78 N -3.74 0.81 0.35 -0.44 2.01 -0.91 -1.65 115.64 112.06 2fjf s THR 78 Ca 0.39 -0.35 0.01 0.00 0.31 0.00 0.00 61.69 62.05 2fjf s THR 78 Cb -0.22 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.52 2fjf s THR 78 CO 0.96 0.26 0.55 0.00 -0.69 0.00 0.00 174.62 175.70 2fjf s ALA 79 N 0.36 3.71 0.08 7.40 0.00 -0.21 -0.25 121.76 132.87 2fjf s ALA 79 Ca -0.06 -0.93 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2fjf s ALA 79 Cb -0.11 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 2fjf s ALA 79 CO 0.01 -0.04 -0.07 0.71 0.00 0.00 0.00 175.76 176.37 2fjf s TYR 80 N -2.32 0.84 -0.27 0.00 2.02 -0.31 -0.87 117.35 116.42 2fjf s TYR 80 Ca 0.40 -0.82 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 2fjf s TYR 80 Cb -0.10 -0.49 0.08 0.00 -0.40 0.00 0.00 41.96 41.05 2fjf s TYR 80 CO 0.36 -0.14 0.02 -1.17 -1.57 0.00 0.00 175.55 173.05 2fjf s LEU 81 N -2.70 2.80 -0.19 -1.29 2.96 -0.57 -2.27 118.68 117.41 2fjf s LEU 81 Ca 0.07 -1.47 -0.27 0.00 -0.22 0.00 0.00 54.13 52.24 2fjf s LEU 81 Cb 0.02 -1.13 -0.00 0.00 0.50 0.00 0.00 46.19 45.57 2fjf s LEU 81 CO -0.04 -0.32 0.93 -1.58 -1.32 0.00 0.00 176.35 174.03 2fjf s GLN 82 N 1.40 4.28 -0.33 1.98 2.00 0.10 -1.23 119.66 127.86 2fjf s GLN 82 Ca 0.02 1.19 -0.00 0.00 -2.00 0.00 0.00 55.36 54.57 2fjf s GLN 82 Cb -0.18 -3.61 0.08 0.00 0.80 0.00 0.00 33.01 30.10 2fjf s GLN 82 CO -0.12 -0.47 0.04 -1.64 -0.50 0.00 0.00 175.29 172.61 2fjf s MET 83 N 2.62 2.12 0.10 1.67 -1.94 0.12 -0.32 119.30 123.67 2fjf s MET 83 Ca 0.41 -1.53 0.04 0.00 -1.71 0.00 0.00 55.69 52.90 2fjf s MET 83 Cb -0.16 -3.24 -0.04 0.00 2.01 0.00 0.00 34.83 33.40 2fjf s MET 83 CO 0.10 -0.78 0.09 -0.80 -0.01 0.00 0.00 175.02 173.61 2fjf s ASN 84 N 1.31 5.48 -1.10 3.03 0.01 -0.63 -1.56 114.94 121.48 2fjf s ASN 84 Ca 0.01 -0.05 -0.09 0.00 -0.71 0.00 0.00 52.86 52.01 2fjf s ASN 84 Cb -0.20 -1.45 -0.05 0.00 0.41 0.00 0.00 41.25 39.96 2fjf s ASN 84 CO -0.04 0.15 0.88 -0.24 -1.51 0.00 0.00 177.10 176.34 2fjf n SER 85 N 0.27 -5.65 -4.73 -1.22 2.88 -1.08 -4.60 113.62 99.49 2fjf n SER 85 Ca -0.09 -0.78 -0.41 0.00 -1.33 0.00 0.00 58.87 56.26 2fjf n SER 85 Cb 0.52 -4.69 -0.03 0.00 -0.75 0.00 0.00 64.21 59.25 2fjf n SER 85 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2fjf s LEU 86 N -5.80 4.45 0.29 2.46 1.43 -0.84 -4.61 118.68 116.06 2fjf s LEU 86 Ca 0.40 2.16 0.07 0.00 -1.03 0.00 0.00 54.13 55.73 2fjf s LEU 86 Cb -0.08 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 2fjf s LEU 86 CO 0.77 -0.35 0.27 -0.13 0.23 0.00 0.00 176.35 177.14 2fjf s ARG 87 N -0.04 2.88 0.36 1.70 3.00 -1.26 0.14 118.95 125.73 2fjf s ARG 87 Ca 0.53 -1.14 0.04 0.00 0.00 0.00 0.00 55.73 55.16 2fjf s ARG 87 Cb -0.31 -2.56 0.68 0.00 0.00 0.00 0.00 34.95 32.75 2fjf s ARG 87 CO 0.35 0.24 1.96 0.00 0.00 0.00 0.00 175.30 177.86 2fjf h ALA 88 N 1.32 1.51 -0.07 2.13 0.00 -1.97 -2.67 119.26 119.51 2fjf h ALA 88 Ca -0.47 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.33 2fjf h ALA 88 Cb 1.25 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2fjf h ALA 88 CO 0.59 0.39 0.00 -0.85 0.00 0.00 0.00 179.25 179.38 2fjf n GLU 89 N -4.38 1.24 0.01 0.00 0.00 -1.26 -2.03 120.64 114.22 2fjf n GLU 89 Ca 0.03 -0.37 0.13 0.00 0.00 0.00 0.00 57.16 56.96 2fjf n GLU 89 Cb 0.14 -1.27 0.45 0.00 0.00 0.00 0.00 31.44 30.75 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 -0.37 0.26 -4.62 -1.84 8.00 -1.01 -4.89 116.55 112.09 2fjf n ASP 90 Ca 0.12 0.20 -0.45 0.00 0.71 0.00 0.00 54.79 55.37 2fjf n ASP 90 Cb 0.14 -0.20 -0.04 0.00 -0.02 0.00 0.00 41.12 41.00 2fjf n ASP 90 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2fjf n THR 91 N -1.56 0.51 -3.84 -3.53 -1.04 -0.86 -4.90 114.28 99.06 2fjf n THR 91 Ca 0.06 -0.25 -0.02 0.00 -2.04 0.00 0.00 64.05 61.80 2fjf n THR 91 Cb 0.35 -2.18 0.01 0.00 -1.82 0.00 0.00 70.33 66.69 2fjf n THR 91 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2fjf s ALA 92 N 5.95 -1.73 -0.12 2.41 0.00 -0.66 -4.52 121.76 123.08 2fjf s ALA 92 Ca 0.97 -0.11 -0.19 0.00 0.00 0.00 0.00 51.96 52.63 2fjf s ALA 92 Cb -0.54 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.25 2fjf s ALA 92 CO 0.44 -1.07 0.54 0.08 0.00 0.00 0.00 175.76 175.75 2fjf s VAL 93 N -2.45 5.14 -0.22 0.00 1.01 -0.90 -0.84 120.40 122.14 2fjf s VAL 93 Ca 0.19 1.07 -0.06 0.00 0.00 0.00 0.00 61.98 63.18 2fjf s VAL 93 Cb -0.01 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.47 2fjf s VAL 93 CO 0.03 0.28 0.02 -0.31 0.00 0.00 0.00 175.10 175.12 2fjf s TYR 94 N 0.88 3.05 -0.05 5.22 1.51 -0.04 -0.14 117.35 127.78 2fjf s TYR 94 Ca 0.28 -0.53 -0.01 0.00 -1.01 0.00 0.00 57.07 55.80 2fjf s TYR 94 Cb -0.16 -2.15 -0.04 0.00 -0.11 0.00 0.00 41.96 39.50 2fjf s TYR 94 CO 0.12 -0.35 0.02 0.71 -1.11 0.00 0.00 175.55 174.94 2fjf s TYR 95 N 1.35 3.17 0.24 2.71 1.51 0.94 -2.06 117.35 125.21 2fjf s TYR 95 Ca 0.05 0.17 0.07 0.00 -1.01 0.00 0.00 57.07 56.34 2fjf s TYR 95 Cb -0.15 -1.75 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 2fjf s TYR 95 CO 0.01 0.49 0.20 0.00 -1.11 0.00 0.00 175.55 175.15 2fjf s ALA 97 N -2.08 -1.75 0.23 0.00 0.00 -0.59 -0.50 121.76 117.06 2fjf s ALA 97 Ca 0.33 1.65 -0.02 0.00 0.00 0.00 0.00 51.96 53.92 2fjf s ALA 97 Cb -0.08 -0.59 -0.05 0.00 0.00 0.00 0.00 23.12 22.41 2fjf s ALA 97 CO 0.25 -0.35 0.45 -0.98 0.00 0.00 0.00 175.76 175.13 2fjf s ARG 98 N -0.40 3.56 0.04 0.00 1.70 -0.80 -0.75 118.95 122.30 2fjf s ARG 98 Ca -0.05 -0.21 -0.26 0.00 -0.47 0.00 0.00 55.73 54.74 2fjf s ARG 98 Cb -0.03 -2.77 0.06 0.00 -0.57 0.00 0.00 34.95 31.65 2fjf s ARG 98 CO 0.05 0.34 0.60 0.12 -1.08 0.00 0.00 175.30 175.34 2fjf s PHE 99 N -1.93 -0.55 0.02 5.89 5.36 -0.54 -3.83 117.98 122.41 2fjf s PHE 99 Ca 0.40 0.68 -0.20 0.00 -0.96 0.00 0.00 56.93 56.85 2fjf s PHE 99 Cb -0.11 0.43 0.04 0.00 -0.34 0.00 0.00 43.02 43.04 2fjf s PHE 99 CO 0.29 -0.69 0.44 0.54 -1.46 0.00 0.00 175.22 174.34 2fjf s VAL 100 N -2.35 0.04 -0.90 3.12 0.11 -1.26 0.33 120.40 119.48 2fjf s VAL 100 Ca -0.06 -0.37 0.26 0.00 -2.93 0.00 0.00 61.98 58.89 2fjf s VAL 100 Cb -0.01 -0.89 0.24 0.00 -1.53 0.00 0.00 36.38 34.19 2fjf s VAL 100 CO -0.01 -0.20 1.83 0.49 -3.33 0.00 0.00 175.10 173.88 2fjf n PHE 101 N 0.70 0.28 -1.27 1.54 3.01 -1.26 -3.81 117.46 116.65 2fjf n PHE 101 Ca -0.19 0.09 -0.31 0.00 1.01 0.00 0.00 57.45 58.05 2fjf n PHE 101 Cb 0.59 -0.64 0.10 0.00 -0.01 0.00 0.00 39.48 39.52 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 -3.04 2.55 0.44 1.38 2.99 -1.26 -4.62 117.98 116.42 2fjf s PHE 102 Ca 0.12 1.48 -0.24 0.00 0.00 0.00 0.00 56.93 58.28 2fjf s PHE 102 Cb 0.16 -3.06 -0.10 0.00 0.00 0.00 0.00 43.02 40.01 2fjf s PHE 102 CO 0.51 -1.90 1.06 1.28 -0.00 0.00 0.00 175.22 176.18 2fjf n LEU 103 N -3.58 3.01 -0.11 -0.37 4.77 -1.26 -0.28 117.00 119.18 2fjf n LEU 103 Ca 0.08 1.03 0.03 0.00 -0.03 0.00 0.00 56.01 57.13 2fjf n LEU 103 Cb 0.54 -1.39 0.17 0.00 -2.33 0.00 0.00 43.42 40.40 2fjf n LEU 103 CO 0.54 -1.33 0.61 -0.81 -1.33 0.00 0.00 177.39 175.07 2fjf n PRO 104 N 0.02 1.14 -4.34 3.23 -0.04 -1.26 -4.96 135.00 128.78 2fjf n PRO 104 Ca 0.09 -0.21 -0.33 0.00 -0.04 0.00 0.00 63.50 63.02 2fjf n PRO 104 Cb 0.40 -1.12 -0.09 0.00 -0.04 0.00 0.00 33.50 32.65 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 -0.40 -1.26 -4.14 0.54 0.18 0.61 -4.96 117.16 107.74 2fjf n TYR 105 Ca 0.05 0.63 -0.11 0.00 1.88 0.00 0.00 57.90 60.35 2fjf n TYR 105 Cb 0.07 -2.69 -0.08 0.00 -0.38 0.00 0.00 39.34 36.25 2fjf n TYR 105 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2fjf s ALA 106 N -4.18 0.73 -0.83 -3.48 0.00 -1.26 -4.97 121.76 107.76 2fjf s ALA 106 Ca 0.14 -1.44 -0.20 0.00 0.00 0.00 0.00 51.96 50.46 2fjf s ALA 106 Cb -0.08 1.29 0.11 0.00 0.00 0.00 0.00 23.12 24.43 2fjf s ALA 106 CO 1.00 -0.68 1.07 -1.64 0.00 0.00 0.00 175.76 175.51 2fjf s MET 107 N -4.08 3.42 0.04 0.00 -1.94 -1.26 -4.57 119.30 110.91 2fjf s MET 107 Ca 0.34 -1.43 0.09 0.00 -1.71 0.00 0.00 55.69 52.98 2fjf s MET 107 Cb 0.04 -4.69 -0.22 0.00 2.01 0.00 0.00 34.83 31.97 2fjf s MET 107 CO 0.11 -1.79 0.98 0.38 -0.01 0.00 0.00 175.02 174.70 2fjf h ASP 108 N 9.11 0.02 -3.48 3.03 2.03 -1.98 -3.45 116.42 121.70 2fjf h ASP 108 Ca -0.00 -0.03 -0.67 0.00 -0.73 0.00 0.00 57.03 55.61 2fjf h ASP 108 Cb 1.04 -0.01 -0.33 0.00 -0.83 0.00 0.00 39.33 39.21 2fjf h ASP 108 CO 1.14 1.02 -0.88 -0.31 -1.03 0.00 0.00 179.24 179.19 2fjf s TYR 109 N -2.66 2.44 0.24 4.15 1.51 -1.26 -5.06 117.35 116.72 2fjf s TYR 109 Ca -0.02 -0.94 0.12 0.00 -1.01 0.00 0.00 57.07 55.21 2fjf s TYR 109 Cb 0.09 -1.63 -0.05 0.00 -0.11 0.00 0.00 41.96 40.26 2fjf s TYR 109 CO 0.82 -0.37 -0.22 -1.58 -1.11 0.00 0.00 175.55 173.10 2fjf s TRP 110 N 0.26 2.31 0.77 2.71 0.52 -1.26 -1.91 118.94 122.33 2fjf s TRP 110 Ca -0.16 -0.34 -0.09 0.00 0.02 0.00 0.00 56.10 55.53 2fjf s TRP 110 Cb -0.17 -1.07 0.09 0.00 -1.15 0.00 0.00 33.47 31.17 2fjf s TRP 110 CO 0.08 0.61 1.10 0.20 0.02 0.00 0.00 176.95 178.96 2fjf s GLY 111 N -3.10 1.67 0.38 0.98 0.00 0.34 -4.32 107.32 103.28 2fjf s GLY 111 Ca 0.26 -0.92 0.26 0.00 0.00 0.00 0.00 44.72 44.31 2fjf s GLY 111 CO 0.13 -0.44 1.72 0.06 0.00 0.00 0.00 173.10 174.57 2fjf h GLN 112 N -0.86 0.00 0.00 2.90 -0.00 -1.90 -3.44 115.11 111.81 2fjf h GLN 112 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 2fjf h GLN 112 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.79 2fjf h GLN 112 CO 0.58 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.82 2fjf n GLY 113 N 0.89 2.19 3.41 0.06 0.00 -1.26 -4.99 105.19 105.49 2fjf n GLY 113 Ca 0.04 -1.62 -0.31 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.31 2.55 -0.04 2.61 -4.23 -0.88 -4.89 115.64 109.45 2fjf s THR 114 Ca 0.00 -1.22 -0.28 0.00 -1.18 0.00 0.00 61.69 59.01 2fjf s THR 114 Cb 0.00 -2.04 -0.03 0.00 1.34 0.00 0.00 72.50 71.78 2fjf s THR 114 CO 0.00 0.38 0.93 -0.22 -0.54 0.00 0.00 174.62 175.16 2fjf s LEU 115 N -1.28 4.33 -0.15 4.79 0.20 -1.26 -0.86 118.68 124.45 2fjf s LEU 115 Ca 0.13 1.53 0.02 0.00 0.69 0.00 0.00 54.13 56.49 2fjf s LEU 115 Cb -0.10 -3.46 0.01 0.00 -0.43 0.00 0.00 46.19 42.20 2fjf s LEU 115 CO 0.03 -0.27 -0.19 -0.69 -0.29 0.00 0.00 176.35 174.94 2fjf s VAL 116 N 1.20 2.27 -0.08 1.68 1.01 -0.02 -2.17 120.40 124.30 2fjf s VAL 116 Ca 0.48 -0.90 0.05 0.00 0.00 0.00 0.00 61.98 61.61 2fjf s VAL 116 Cb -0.20 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 2fjf s VAL 116 CO 0.24 0.54 -0.23 -0.89 0.00 0.00 0.00 175.10 174.75 2fjf s THR 117 N 0.88 1.96 -0.24 3.92 2.01 -0.55 -1.66 115.64 121.97 2fjf s THR 117 Ca -0.05 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 60.98 2fjf s THR 117 Cb -0.15 -1.69 0.06 0.00 0.01 0.00 0.00 72.50 70.73 2fjf s THR 117 CO -0.03 0.54 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.66 2fjf s VAL 118 N 0.16 1.87 -0.04 3.82 1.01 -1.26 -1.16 120.40 124.81 2fjf s VAL 118 Ca -0.12 -1.39 -0.12 0.00 0.00 0.00 0.00 61.98 60.35 2fjf s VAL 118 Cb -0.16 -2.02 0.02 0.00 0.00 0.00 0.00 36.38 34.22 2fjf s VAL 118 CO 0.06 -0.01 0.27 -0.55 0.00 0.00 0.00 175.10 174.88 2fjf s SER 119 N 1.25 -0.18 0.03 3.32 0.15 -0.94 -4.48 113.70 112.86 2fjf s SER 119 Ca -0.06 0.16 0.26 0.00 0.70 0.00 0.00 55.95 57.00 2fjf s SER 119 Cb -0.19 0.37 0.72 0.00 -1.71 0.00 0.00 66.02 65.20 2fjf s SER 119 CO -0.06 -0.35 1.57 -1.54 1.20 0.00 0.00 173.24 174.07 2fjf n SER 120 N 1.72 0.40 -4.76 5.45 3.41 -1.26 -4.13 113.62 114.45 2fjf n SER 120 Ca -0.20 0.07 -0.41 0.00 -0.26 0.00 0.00 58.87 58.08 2fjf n SER 120 Cb 0.56 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 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 -3.03 3.50 0.55 7.33 0.00 -1.26 -5.01 121.76 123.84 2fjf s ALA 121 Ca 0.11 1.21 -0.11 0.00 0.00 0.00 0.00 51.96 53.18 2fjf s ALA 121 Cb 0.17 -3.47 -0.05 0.00 0.00 0.00 0.00 23.12 19.77 2fjf s ALA 121 CO 0.65 -0.59 0.94 -1.12 0.00 0.00 0.00 175.76 175.64 2fjf s SER 122 N -0.37 6.33 -0.27 0.00 0.01 -1.26 -4.98 113.70 113.16 2fjf s SER 122 Ca 0.50 1.31 -0.28 0.00 1.31 0.00 0.00 55.95 58.79 2fjf s SER 122 Cb -0.39 -2.41 -0.04 0.00 0.21 0.00 0.00 66.02 63.39 2fjf s SER 122 CO 0.49 -0.71 2.14 -0.89 0.41 0.00 0.00 173.24 174.68 2fjf s THR 123 N -2.91 3.12 0.07 1.44 2.01 -1.26 -4.67 115.64 113.43 2fjf s THR 123 Ca 0.54 0.12 0.09 0.00 0.31 0.00 0.00 61.69 62.74 2fjf s THR 123 Cb -0.11 -3.16 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 2fjf s THR 123 CO 0.46 -0.11 -0.23 -0.75 -0.69 0.00 0.00 174.62 173.30 2fjf s LYS 124 N 6.36 1.47 0.23 4.92 2.20 -0.68 -4.94 119.74 129.29 2fjf s LYS 124 Ca 0.95 -1.09 -0.14 0.00 -0.36 0.00 0.00 55.97 55.34 2fjf s LYS 124 Cb -0.29 -1.69 -0.08 0.00 -1.51 0.00 0.00 37.83 34.26 2fjf s LYS 124 CO 0.34 0.42 0.62 0.20 -0.36 0.00 0.00 175.35 176.57 2fjf s GLY 125 N -1.45 2.39 0.58 5.54 0.00 -1.26 -0.76 107.32 112.36 2fjf s GLY 125 Ca 0.10 -0.10 -0.19 0.00 0.00 0.00 0.00 44.72 44.53 2fjf s GLY 125 CO 0.03 0.13 1.22 2.56 0.00 0.00 0.00 173.10 177.04 2fjf s PRO 126 N -2.49 3.03 -0.27 2.90 0.04 -1.26 -4.67 135.00 132.28 2fjf s PRO 126 Ca 0.46 1.88 -0.15 0.00 0.04 0.00 0.00 61.00 63.22 2fjf s PRO 126 Cb -0.13 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 2fjf s PRO 126 CO 0.20 -1.17 0.38 -1.12 0.04 0.00 0.00 177.00 175.33 2fjf s SER 127 N -1.50 6.26 -0.29 6.66 0.01 -0.31 -4.91 113.70 119.62 2fjf s SER 127 Ca 0.76 0.27 -0.11 0.00 1.31 0.00 0.00 55.95 58.18 2fjf s SER 127 Cb -0.32 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 2fjf s SER 127 CO 0.35 -0.20 0.18 -0.69 0.41 0.00 0.00 173.24 173.29 2fjf s VAL 128 N 2.08 5.11 -0.08 3.43 1.01 -1.26 -1.98 120.40 128.72 2fjf s VAL 128 Ca 0.15 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.20 2fjf s VAL 128 Cb -0.16 -3.47 -0.01 0.00 0.00 0.00 0.00 36.38 32.74 2fjf s VAL 128 CO 0.10 0.21 -0.23 -0.36 0.00 0.00 0.00 175.10 174.83 2fjf s PHE 129 N 1.72 2.53 0.23 5.22 0.08 -0.03 -4.96 117.98 122.78 2fjf s PHE 129 Ca 0.07 -0.77 -0.30 0.00 0.12 0.00 0.00 56.93 56.05 2fjf s PHE 129 Cb -0.16 -1.66 -0.09 0.00 -0.57 0.00 0.00 43.02 40.54 2fjf s PHE 129 CO 0.10 -0.25 1.20 -1.25 -0.10 0.00 0.00 175.22 174.92 2fjf s PRO 130 N -0.00 4.50 -0.34 0.24 0.04 -1.26 0.63 135.00 138.81 2fjf s PRO 130 Ca -0.08 1.92 -0.09 0.00 0.04 0.00 0.00 61.00 62.79 2fjf s PRO 130 Cb -0.15 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.21 2fjf s PRO 130 CO 0.05 -0.04 0.16 -0.51 0.04 0.00 0.00 177.00 176.70 2fjf s LEU 131 N -0.76 4.38 -0.09 -3.56 1.43 0.30 -4.83 118.68 115.55 2fjf s LEU 131 Ca 0.50 -0.86 -0.14 0.00 -1.03 0.00 0.00 54.13 52.60 2fjf s LEU 131 Cb -0.34 -1.97 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 2fjf s LEU 131 CO 0.40 -0.30 0.36 0.00 0.23 0.00 0.00 176.35 177.04 2fjf s ALA 132 N 1.54 3.64 0.17 4.21 0.00 -1.26 -1.27 121.76 128.77 2fjf s ALA 132 Ca 0.02 -0.33 -0.32 0.00 0.00 0.00 0.00 51.96 51.33 2fjf s ALA 132 Cb -0.18 -2.40 -0.11 0.00 0.00 0.00 0.00 23.12 20.43 2fjf s ALA 132 CO 0.05 0.27 1.72 -1.25 0.00 0.00 0.00 175.76 176.55 2fjf s PRO 133 N -0.22 4.15 0.55 0.00 0.04 -1.25 -4.95 135.00 133.33 2fjf s PRO 133 Ca 0.21 2.54 -0.17 0.00 0.04 0.00 0.00 61.00 63.62 2fjf s PRO 133 Cb -0.15 -3.27 -0.06 0.00 0.04 0.00 0.00 34.50 31.07 2fjf s PRO 133 CO 0.09 -0.75 1.04 0.45 0.04 0.00 0.00 177.00 177.86 2fjf s SER 134 N 1.68 6.09 0.00 6.66 0.15 -1.26 -4.77 113.70 122.25 2fjf s SER 134 Ca 0.76 1.80 0.00 0.00 0.70 0.00 0.00 55.95 59.21 2fjf s SER 134 Cb -0.47 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.30 2fjf s SER 134 CO 0.33 -0.95 0.00 -0.24 1.20 0.00 0.00 173.24 173.58 2fjf n SER 135 N -1.66 0.00 -0.20 5.45 2.88 -1.26 -5.03 113.62 113.81 2fjf n SER 135 Ca 0.08 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.57 2fjf n SER 135 Cb 0.53 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.94 2fjf n SER 135 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2fjf n GLY 141 N 0.00 -1.80 3.55 0.46 0.00 -1.26 -5.25 105.19 100.89 2fjf n GLY 141 Ca 0.00 0.67 -0.24 0.00 0.00 0.00 0.00 46.02 46.44 2fjf n GLY 141 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2fjf s THR 142 N -4.67 2.97 0.05 2.61 -4.23 -1.26 -2.83 115.64 108.29 2fjf s THR 142 Ca -0.06 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 58.47 2fjf s THR 142 Cb 0.05 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.31 2fjf s THR 142 CO 0.29 -0.31 -0.15 0.00 -0.54 0.00 0.00 174.62 173.91 2fjf s ALA 143 N -2.22 2.72 -0.15 3.99 0.00 0.30 -4.68 121.76 121.72 2fjf s ALA 143 Ca 0.29 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 51.04 2fjf s ALA 143 Cb -0.06 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 2fjf s ALA 143 CO 0.16 0.59 -0.07 0.00 0.00 0.00 0.00 175.76 176.45 2fjf s ALA 144 N -0.99 2.88 0.12 0.00 0.00 -1.26 -1.05 121.76 121.45 2fjf s ALA 144 Ca 0.16 -0.85 -0.04 0.00 0.00 0.00 0.00 51.96 51.23 2fjf s ALA 144 Cb -0.11 -1.45 -0.03 0.00 0.00 0.00 0.00 23.12 21.53 2fjf s ALA 144 CO 0.07 0.21 0.12 -0.48 0.00 0.00 0.00 175.76 175.68 2fjf s LEU 145 N 0.39 1.65 0.00 0.00 2.34 -1.01 -3.76 118.68 118.29 2fjf s LEU 145 Ca -0.06 -0.98 -0.14 0.00 0.06 0.00 0.00 54.13 53.01 2fjf s LEU 145 Cb -0.15 0.64 0.05 0.00 -0.56 0.00 0.00 46.19 46.17 2fjf s LEU 145 CO 0.04 -0.75 0.65 0.61 -1.06 0.00 0.00 176.35 175.84 2fjf n GLY 146 N -0.08 0.42 3.20 -3.48 0.00 -0.40 -0.96 105.19 103.89 2fjf n GLY 146 Ca -0.09 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.68 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 0.27 4.20 -0.35 0.00 2.96 0.21 -1.41 118.68 124.54 2fjf s LEU 148 Ca -0.15 0.95 -0.04 0.00 -0.22 0.00 0.00 54.13 54.67 2fjf s LEU 148 Cb -0.17 -2.96 0.07 0.00 0.50 0.00 0.00 46.19 43.63 2fjf s LEU 148 CO 0.07 -0.23 0.11 -0.69 -1.32 0.00 0.00 176.35 174.29 2fjf s VAL 149 N 1.59 3.44 -0.06 1.68 1.01 0.29 -0.85 120.40 127.51 2fjf s VAL 149 Ca 0.31 -1.49 0.04 0.00 0.00 0.00 0.00 61.98 60.85 2fjf s VAL 149 Cb -0.16 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.13 2fjf s VAL 149 CO 0.12 -0.33 -0.19 -0.75 0.00 0.00 0.00 175.10 173.95 2fjf s LYS 150 N 1.29 2.12 -0.82 2.72 2.20 -0.84 -1.11 119.74 125.31 2fjf s LYS 150 Ca 0.00 -0.69 -0.03 0.00 -0.36 0.00 0.00 55.97 54.89 2fjf s LYS 150 Cb -0.21 -1.78 -0.04 0.00 -1.51 0.00 0.00 37.83 34.30 2fjf s LYS 150 CO -0.00 0.25 0.74 -0.25 -0.36 0.00 0.00 175.35 175.72 2fjf n ASP 151 N 3.22 -6.63 -4.34 1.43 8.00 -0.63 -1.16 116.55 116.43 2fjf n ASP 151 Ca -0.19 -0.39 -0.23 0.00 0.71 0.00 0.00 54.79 54.70 2fjf n ASP 151 Cb 0.53 -4.79 -0.11 0.00 -0.02 0.00 0.00 41.12 36.72 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 -3.20 1.89 -0.24 1.24 1.13 -0.86 -4.20 117.35 113.11 2fjf s TYR 152 Ca 0.23 -0.45 -0.19 0.00 -1.41 0.00 0.00 57.07 55.26 2fjf s TYR 152 Cb -0.03 -0.95 0.07 0.00 -1.10 0.00 0.00 41.96 39.94 2fjf s TYR 152 CO 0.67 0.34 0.62 0.12 -2.51 0.00 0.00 175.55 174.79 2fjf s PHE 153 N -1.87 -0.78 0.00 -3.49 2.19 0.06 -1.29 117.98 112.80 2fjf s PHE 153 Ca 0.15 1.76 0.00 0.00 0.33 0.00 0.00 56.93 59.17 2fjf s PHE 153 Cb -0.07 0.34 0.00 0.00 -1.31 0.00 0.00 43.02 41.98 2fjf s PHE 153 CO 0.07 -0.38 0.00 -0.35 1.83 0.00 0.00 175.22 176.38 2fjf n PRO 154 N 3.29 2.46 -2.35 10.12 -0.04 -1.26 -1.69 135.00 145.53 2fjf n PRO 154 Ca -0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 2fjf n PRO 154 Cb 0.56 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.99 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 1.90 3.91 0.25 0.54 0.41 -1.26 -4.79 118.70 119.66 2fjf s GLU 155 Ca 0.00 0.94 0.03 0.00 -0.41 0.00 0.00 54.97 55.53 2fjf s GLU 155 Cb 0.00 -2.13 0.03 0.00 -1.78 0.00 0.00 34.13 30.25 2fjf s GLU 155 CO 0.00 -0.30 0.26 -0.35 -0.49 0.00 0.00 175.26 174.38 2fjf n PRO 156 N -1.69 0.99 -3.89 0.39 -0.04 -1.26 -5.00 135.00 124.49 2fjf n PRO 156 Ca 0.07 -1.44 -0.13 0.00 -0.04 0.00 0.00 63.50 61.96 2fjf n PRO 156 Cb 0.54 0.03 -0.15 0.00 -0.04 0.00 0.00 33.50 33.89 2fjf n PRO 156 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2fjf s VAL 157 N -0.89 0.05 -0.17 0.52 0.11 -1.26 -4.60 120.40 114.16 2fjf s VAL 157 Ca 0.20 0.02 -0.03 0.00 -2.93 0.00 0.00 61.98 59.24 2fjf s VAL 157 Cb -0.02 -0.08 -0.02 0.00 -1.53 0.00 0.00 36.38 34.73 2fjf s VAL 157 CO 0.13 0.04 -0.06 0.42 -3.33 0.00 0.00 175.10 172.30 2fjf s THR 158 N 0.28 3.51 -0.10 5.04 -4.23 -0.95 -4.97 115.64 114.22 2fjf s THR 158 Ca -0.02 -0.48 0.03 0.00 -1.18 0.00 0.00 61.69 60.04 2fjf s THR 158 Cb -0.04 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.24 2fjf s THR 158 CO -0.01 0.47 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.66 2fjf s VAL 159 N 0.77 2.48 0.17 2.29 1.01 -1.26 -1.01 120.40 124.85 2fjf s VAL 159 Ca -0.02 -0.88 0.08 0.00 0.00 0.00 0.00 61.98 61.16 2fjf s VAL 159 Cb -0.15 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 2fjf s VAL 159 CO 0.02 0.55 -0.18 -0.94 0.00 0.00 0.00 175.10 174.55 2fjf s SER 160 N 0.20 2.66 -0.00 3.32 1.04 -0.26 -4.95 113.70 115.71 2fjf s SER 160 Ca -0.12 -0.89 0.04 0.00 0.48 0.00 0.00 55.95 55.46 2fjf s SER 160 Cb -0.16 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.77 2fjf s SER 160 CO 0.07 -0.06 -0.10 0.26 0.98 0.00 0.00 173.24 174.39 2fjf s TRP 161 N -2.19 2.81 -1.16 5.02 0.52 -1.26 0.12 118.94 122.80 2fjf s TRP 161 Ca 0.17 -0.08 -0.04 0.00 0.02 0.00 0.00 56.10 56.16 2fjf s TRP 161 Cb -0.05 -1.60 0.03 0.00 -1.15 0.00 0.00 33.47 30.70 2fjf s TRP 161 CO 0.07 0.32 0.26 0.09 0.02 0.00 0.00 176.95 177.71 2fjf n ASN 162 N 1.72 -3.91 -1.44 2.95 4.13 -0.08 0.26 115.26 118.88 2fjf n ASN 162 Ca -0.16 -0.08 -0.17 0.00 1.68 0.00 0.00 54.58 55.85 2fjf n ASN 162 Cb 0.52 -3.27 -0.06 0.00 -1.54 0.00 0.00 39.78 35.44 2fjf n ASN 162 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2fjf n SER 163 N -2.06 -5.00 0.00 6.41 7.64 -1.26 -3.05 113.62 116.30 2fjf n SER 163 Ca -0.08 0.31 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2fjf n SER 163 Cb 0.58 -4.01 0.00 0.00 -1.01 0.00 0.00 64.21 59.77 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 -0.94 0.92 0.15 0.23 0.00 0.14 -4.98 105.19 100.71 2fjf n GLY 164 Ca -0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.90 2fjf n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fjf h ALA 165 N 0.00 0.74 -2.97 4.61 0.00 -1.39 -3.44 119.26 116.82 2fjf h ALA 165 Ca 0.00 -0.34 -0.68 0.00 0.00 0.00 0.00 54.91 53.89 2fjf h ALA 165 Cb 0.00 -0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.54 2fjf h ALA 165 CO 0.00 0.44 -0.59 -1.17 0.00 0.00 0.00 179.25 177.93 2fjf s LEU 166 N -6.19 4.04 0.00 0.00 2.96 -1.12 -4.91 118.68 113.46 2fjf s LEU 166 Ca 0.03 -0.72 0.00 0.00 -0.22 0.00 0.00 54.13 53.22 2fjf s LEU 166 Cb 0.07 -1.93 0.00 0.00 0.50 0.00 0.00 46.19 44.83 2fjf s LEU 166 CO 0.74 -0.22 0.00 0.35 -1.32 0.00 0.00 176.35 175.90 2fjf n THR 167 N 4.91 0.00 -2.62 3.68 -2.24 -1.26 -4.27 114.28 112.48 2fjf n THR 167 Ca -0.14 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.28 2fjf n THR 167 Cb 0.48 -0.89 -0.05 0.00 -2.10 0.00 0.00 70.33 67.77 2fjf n THR 167 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2fjf s SER 168 N -2.81 6.91 0.00 3.42 0.01 -1.26 -3.48 113.70 116.50 2fjf s SER 168 Ca 0.00 1.97 0.00 0.00 1.31 0.00 0.00 55.95 59.23 2fjf s SER 168 Cb 0.00 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.65 2fjf s SER 168 CO 0.00 -0.38 0.00 0.61 0.41 0.00 0.00 173.24 173.88 2fjf n GLY 169 N 0.33 1.73 3.79 3.44 0.00 -1.26 -4.79 105.19 108.43 2fjf n GLY 169 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 2fjf n GLY 169 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2fjf s VAL 170 N -2.67 3.69 -0.12 1.61 0.11 -1.23 -2.94 120.40 118.86 2fjf s VAL 170 Ca 0.00 1.19 -0.04 0.00 -2.93 0.00 0.00 61.98 60.20 2fjf s VAL 170 Cb 0.00 -3.56 0.06 0.00 -1.53 0.00 0.00 36.38 31.35 2fjf s VAL 170 CO 0.00 -0.10 0.21 -1.00 -3.33 0.00 0.00 175.10 170.89 2fjf s HIS 171 N -1.78 -0.31 -0.32 1.54 3.76 0.53 -4.96 115.29 113.76 2fjf s HIS 171 Ca 0.62 0.74 -0.06 0.00 -0.15 0.00 0.00 55.06 56.22 2fjf s HIS 171 Cb -0.20 -0.17 0.03 0.00 1.11 0.00 0.00 32.58 33.35 2fjf s HIS 171 CO 0.25 -0.34 0.08 0.99 -0.85 0.00 0.00 174.74 174.86 2fjf s THR 172 N 2.36 3.75 0.32 1.30 2.01 -1.26 0.15 115.64 124.27 2fjf s THR 172 Ca 0.03 -0.98 -0.27 0.00 0.31 0.00 0.00 61.69 60.78 2fjf s THR 172 Cb -0.12 -3.04 -0.09 0.00 0.01 0.00 0.00 72.50 69.25 2fjf s THR 172 CO -0.08 -0.06 1.02 -0.36 -0.69 0.00 0.00 174.62 174.46 2fjf s PHE 173 N 1.43 3.59 0.12 4.92 0.40 0.39 -4.98 117.98 123.85 2fjf s PHE 173 Ca -0.00 1.74 -0.33 0.00 -0.60 0.00 0.00 56.93 57.74 2fjf s PHE 173 Cb -0.18 -3.11 -0.13 0.00 0.51 0.00 0.00 43.02 40.11 2fjf s PHE 173 CO 0.02 -0.23 1.69 -2.30 0.70 0.00 0.00 175.22 175.10 2fjf n PRO 174 N 0.75 2.37 -1.50 0.24 -0.02 -1.26 -4.52 135.00 131.05 2fjf n PRO 174 Ca 0.01 0.86 -0.37 0.00 -2.02 0.00 0.00 63.50 61.98 2fjf n PRO 174 Cb 0.48 -2.67 0.07 0.00 -0.02 0.00 0.00 33.50 31.35 2fjf n PRO 174 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2fjf n ALA 175 N 4.37 -0.04 -3.01 3.55 0.00 -1.26 -4.88 120.51 119.24 2fjf n ALA 175 Ca 0.18 -0.09 -0.32 0.00 0.00 0.00 0.00 53.44 53.21 2fjf n ALA 175 Cb 0.31 -2.11 -0.16 0.00 0.00 0.00 0.00 19.45 17.49 2fjf n ALA 175 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2fjf s VAL 176 N -1.65 2.18 -0.09 0.00 0.11 0.11 -4.93 120.40 116.13 2fjf s VAL 176 Ca 0.75 -1.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.51 2fjf s VAL 176 Cb -0.38 -1.82 -0.04 0.00 -1.53 0.00 0.00 36.38 32.61 2fjf s VAL 176 CO 0.48 0.56 1.39 -0.22 -3.33 0.00 0.00 175.10 173.99 2fjf s LEU 177 N 0.12 4.26 0.41 2.54 1.98 -1.26 -1.64 118.68 125.09 2fjf s LEU 177 Ca -0.12 1.95 -0.02 0.00 -2.89 0.00 0.00 54.13 53.04 2fjf s LEU 177 Cb -0.16 -3.54 -0.04 0.00 0.66 0.00 0.00 46.19 43.11 2fjf s LEU 177 CO 0.06 -0.78 0.66 -1.10 -1.89 0.00 0.00 176.35 173.30 2fjf s GLN 178 N 3.28 3.52 0.39 1.98 -0.21 -0.24 -4.96 119.66 123.42 2fjf s GLN 178 Ca 0.62 -0.07 0.21 0.00 0.02 0.00 0.00 55.36 56.14 2fjf s GLN 178 Cb -0.27 -2.53 1.16 0.00 1.00 0.00 0.00 33.01 32.37 2fjf s GLN 178 CO 0.22 -0.01 1.61 0.66 -2.12 0.00 0.00 175.29 175.65 2fjf h SER 179 N 0.56 0.00 0.74 5.90 4.64 -1.96 -0.09 113.55 123.34 2fjf h SER 179 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2fjf h SER 179 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2fjf h SER 179 CO 0.62 0.00 -0.19 -1.54 -0.87 0.00 0.00 176.83 174.85 2fjf n SER 180 N -2.31 0.23 0.00 4.97 3.41 -1.26 -4.92 113.62 113.74 2fjf n SER 180 Ca -0.01 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 2fjf n SER 180 Cb 0.18 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.82 3.81 5.00 0.00 -0.04 -4.98 105.19 111.27 2fjf n GLY 181 Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 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 3.77 0.08 0.99 1.43 -1.26 -4.87 118.68 118.83 2fjf s LEU 182 Ca 0.00 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 52.78 2fjf s LEU 182 Cb 0.00 -2.31 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 2fjf s LEU 182 CO 0.00 -0.02 0.33 -0.31 0.23 0.00 0.00 176.35 176.57 2fjf s TYR 183 N -2.11 3.53 0.01 0.29 2.02 -0.41 -1.07 117.35 119.60 2fjf s TYR 183 Ca 0.33 0.56 0.00 0.00 -0.37 0.00 0.00 57.07 57.59 2fjf s TYR 183 Cb -0.08 -2.00 -0.01 0.00 -0.40 0.00 0.00 41.96 39.48 2fjf s TYR 183 CO 0.24 0.52 -0.01 0.45 -1.57 0.00 0.00 175.55 175.18 2fjf s SER 184 N -2.11 0.14 0.21 2.29 0.15 -0.65 -1.61 113.70 112.12 2fjf s SER 184 Ca 0.35 -0.13 -0.12 0.00 0.70 0.00 0.00 55.95 56.75 2fjf s SER 184 Cb -0.13 0.02 -0.00 0.00 -1.71 0.00 0.00 66.02 64.20 2fjf s SER 184 CO 0.21 -0.06 0.41 -1.48 1.20 0.00 0.00 173.24 173.52 2fjf s LEU 185 N -0.38 0.51 -0.02 3.45 0.05 -0.26 0.09 118.68 122.12 2fjf s LEU 185 Ca -0.04 -0.85 0.08 0.00 0.05 0.00 0.00 54.13 53.38 2fjf s LEU 185 Cb -0.03 1.60 -0.02 0.00 -2.05 0.00 0.00 46.19 45.69 2fjf s LEU 185 CO -0.00 -1.03 -0.26 -0.44 -0.55 0.00 0.00 176.35 174.07 2fjf s SER 186 N -2.98 3.08 -0.06 1.48 0.01 -1.26 -0.55 113.70 113.42 2fjf s SER 186 Ca 0.19 -0.46 0.02 0.00 1.31 0.00 0.00 55.95 57.01 2fjf s SER 186 Cb 0.01 -0.36 -0.03 0.00 0.21 0.00 0.00 66.02 65.85 2fjf s SER 186 CO 0.04 0.32 -0.09 -0.55 0.41 0.00 0.00 173.24 173.37 2fjf s SER 187 N -0.61 4.43 0.06 2.44 0.15 -0.50 -0.46 113.70 119.20 2fjf s SER 187 Ca 0.10 -0.09 -0.03 0.00 0.70 0.00 0.00 55.95 56.63 2fjf s SER 187 Cb -0.10 -1.08 -0.03 0.00 -1.71 0.00 0.00 66.02 63.10 2fjf s SER 187 CO -0.01 0.35 0.04 0.54 1.20 0.00 0.00 173.24 175.36 2fjf s VAL 188 N -0.74 0.19 -0.26 4.45 0.11 0.12 -1.17 120.40 123.10 2fjf s VAL 188 Ca 0.11 -1.59 -0.18 0.00 -2.93 0.00 0.00 61.98 57.40 2fjf s VAL 188 Cb -0.11 -1.43 0.07 0.00 -1.53 0.00 0.00 36.38 33.39 2fjf s VAL 188 CO 0.01 -0.88 0.65 0.54 -3.33 0.00 0.00 175.10 172.10 2fjf s VAL 189 N -3.82 -0.00 -0.20 2.04 0.11 -0.14 -0.34 120.40 118.04 2fjf s VAL 189 Ca 0.06 0.01 -0.16 0.00 -2.93 0.00 0.00 61.98 58.95 2fjf s VAL 189 Cb 0.07 -0.93 -0.04 0.00 -1.53 0.00 0.00 36.38 33.95 2fjf s VAL 189 CO -0.10 0.00 0.42 0.42 -3.33 0.00 0.00 175.10 172.51 2fjf s THR 190 N 1.15 5.18 0.10 5.04 -4.23 -1.15 -2.39 115.64 119.34 2fjf s THR 190 Ca -0.06 0.75 0.05 0.00 -1.18 0.00 0.00 61.69 61.25 2fjf s THR 190 Cb -0.05 -3.75 -0.03 0.00 1.34 0.00 0.00 72.50 70.00 2fjf s THR 190 CO -0.12 0.24 -0.13 0.68 -0.54 0.00 0.00 174.62 174.75 2fjf s VAL 191 N 1.39 1.15 0.06 2.29 -7.23 -0.22 -4.66 120.40 113.19 2fjf s VAL 191 Ca 0.20 -1.59 -0.36 0.00 -1.81 0.00 0.00 61.98 58.42 2fjf s VAL 191 Cb -0.15 -1.36 -0.15 0.00 0.56 0.00 0.00 36.38 35.28 2fjf s VAL 191 CO 0.08 -0.42 1.50 -2.65 -0.31 0.00 0.00 175.10 173.31 2fjf n PRO 192 N 0.72 1.58 0.28 4.82 -0.02 -1.26 0.11 135.00 141.22 2fjf n PRO 192 Ca -0.17 0.57 0.18 0.00 -2.02 0.00 0.00 63.50 62.07 2fjf n PRO 192 Cb 0.57 -2.28 0.87 0.00 -0.02 0.00 0.00 33.50 32.64 2fjf n PRO 192 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2fjf h SER 193 N 5.64 0.00 0.94 2.55 4.64 -1.80 -1.32 113.55 124.21 2fjf h SER 193 Ca -0.47 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.75 2fjf h SER 193 Cb 1.30 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.38 2fjf h SER 193 CO 0.85 0.00 -0.48 0.77 -0.87 0.00 0.00 176.83 177.10 2fjf h SER 194 N 0.00 0.00 1.56 4.97 4.64 -1.88 -3.32 113.55 119.51 2fjf h SER 194 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2fjf h SER 194 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2fjf h SER 194 CO 0.00 0.48 0.00 0.77 -0.87 0.00 0.00 176.83 177.21 2fjf h SER 195 N 0.00 0.00 -4.30 4.97 4.64 -1.60 -3.46 113.55 113.81 2fjf h SER 195 Ca -0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 2fjf h SER 195 Cb 1.07 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 63.26 2fjf h SER 195 CO 0.06 0.00 0.36 -1.48 -0.87 0.00 0.00 176.83 174.90 2fjf s LEU 196 N -5.46 3.19 0.00 5.97 2.34 -1.25 -0.52 118.68 122.95 2fjf s LEU 196 Ca 0.07 1.73 0.00 0.00 0.06 0.00 0.00 54.13 55.99 2fjf s LEU 196 Cb 0.08 -4.51 0.00 0.00 -0.56 0.00 0.00 46.19 41.20 2fjf s LEU 196 CO 0.60 -1.55 0.00 0.61 -1.06 0.00 0.00 176.35 174.95 2fjf n GLY 197 N -1.51 1.48 1.33 -3.48 0.00 -1.26 -4.62 105.19 97.13 2fjf n GLY 197 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.00 0.00 -3.36 2.61 -2.24 -1.21 -5.04 114.28 103.03 2fjf n THR 198 Ca 0.00 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.40 2fjf n THR 198 Cb 0.00 -0.46 -0.07 0.00 -2.10 0.00 0.00 70.33 67.69 2fjf n THR 198 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2fjf s GLN 199 N -1.75 4.16 0.09 -0.78 -1.52 0.32 -5.08 119.66 115.10 2fjf s GLN 199 Ca 0.00 0.22 0.03 0.00 -1.95 0.00 0.00 55.36 53.66 2fjf s GLN 199 Cb 0.00 -3.55 -0.04 0.00 -0.22 0.00 0.00 33.01 29.20 2fjf s GLN 199 CO 0.00 -0.08 0.10 0.95 -0.25 0.00 0.00 175.29 176.00 2fjf s THR 200 N 1.44 4.58 -0.11 -0.19 -4.23 -1.26 -4.44 115.64 111.43 2fjf s THR 200 Ca 0.19 -0.78 0.01 0.00 -1.18 0.00 0.00 61.69 59.93 2fjf s THR 200 Cb -0.15 -3.23 0.02 0.00 1.34 0.00 0.00 72.50 70.48 2fjf s THR 200 CO 0.08 0.10 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.83 2fjf s TYR 201 N -1.44 1.75 -0.06 3.99 2.02 -1.25 -4.95 117.35 117.41 2fjf s TYR 201 Ca 0.30 -0.86 0.06 0.00 -0.37 0.00 0.00 57.07 56.20 2fjf s TYR 201 Cb -0.12 -1.34 -0.01 0.00 -0.40 0.00 0.00 41.96 40.09 2fjf s TYR 201 CO 0.23 -0.50 -0.25 0.42 -1.57 0.00 0.00 175.55 173.87 2fjf s ILE 202 N 1.33 2.03 -0.19 2.71 1.01 -1.26 0.13 121.20 126.95 2fjf s ILE 202 Ca -0.01 -1.05 -0.10 0.00 0.00 0.00 0.00 60.65 59.49 2fjf s ILE 202 Cb -0.14 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 2fjf s ILE 202 CO -0.05 0.56 0.15 0.00 0.00 0.00 0.00 174.94 175.60 2fjf s ASN 204 N 0.25 5.71 -0.18 0.00 -0.87 0.33 -1.20 114.94 118.99 2fjf s ASN 204 Ca 0.10 -1.33 -0.07 0.00 -1.57 0.00 0.00 52.86 49.99 2fjf s ASN 204 Cb -0.11 -2.02 -0.04 0.00 -0.02 0.00 0.00 41.25 39.06 2fjf s ASN 204 CO -0.01 -0.50 0.05 -0.69 -2.57 0.00 0.00 177.10 173.38 2fjf s VAL 205 N 1.49 4.66 -0.13 1.60 1.01 0.27 -1.10 120.40 128.19 2fjf s VAL 205 Ca 0.03 -0.08 0.03 0.00 0.00 0.00 0.00 61.98 61.95 2fjf s VAL 205 Cb -0.22 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.08 2fjf s VAL 205 CO 0.04 0.46 -0.21 0.21 0.00 0.00 0.00 175.10 175.60 2fjf s ASN 206 N 0.39 3.00 -0.43 3.32 2.47 -0.18 -0.30 114.94 123.21 2fjf s ASN 206 Ca 0.02 -0.57 0.04 0.00 0.42 0.00 0.00 52.86 52.77 2fjf s ASN 206 Cb -0.13 -1.38 0.12 0.00 -1.45 0.00 0.00 41.25 38.41 2fjf s ASN 206 CO 0.01 0.08 0.17 -2.28 -3.72 0.00 0.00 177.10 171.36 2fjf s HIS 207 N 0.75 3.29 0.18 0.43 2.46 0.14 -2.23 115.29 120.31 2fjf s HIS 207 Ca -0.09 -3.01 -0.13 0.00 0.47 0.00 0.00 55.06 52.30 2fjf s HIS 207 Cb -0.16 -2.76 0.11 0.00 -0.13 0.00 0.00 32.58 29.64 2fjf s HIS 207 CO 0.00 -0.83 1.82 0.87 -2.47 0.00 0.00 174.74 174.13 2fjf h LYS 208 N 7.03 0.65 -0.13 2.88 1.57 -1.81 -1.11 116.57 125.65 2fjf h LYS 208 Ca -0.06 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2fjf h LYS 208 Cb 0.95 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.11 2fjf h LYS 208 CO 0.60 0.43 0.04 -1.35 -0.57 0.00 0.00 179.45 178.61 2fjf h PRO 209 N 0.67 0.18 -0.01 3.15 0.11 -1.93 -2.57 132.00 131.60 2fjf h PRO 209 Ca 0.22 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2fjf h PRO 209 Cb 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.07 2fjf h PRO 209 CO -0.09 0.16 -0.53 -1.13 -0.21 0.00 0.00 178.00 176.20 2fjf n SER 210 N -4.47 1.88 -3.08 -2.05 3.41 -1.08 -4.97 113.62 103.25 2fjf n SER 210 Ca -0.01 -1.43 -0.20 0.00 -0.26 0.00 0.00 58.87 56.97 2fjf n SER 210 Cb 0.11 0.52 0.07 0.00 -0.26 0.00 0.00 64.21 64.65 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 -0.21 -5.66 -4.29 4.04 5.15 -0.66 -4.94 115.26 108.68 2fjf n ASN 211 Ca 0.09 -0.45 -0.35 0.00 -0.60 0.00 0.00 54.58 53.27 2fjf n ASN 211 Cb 0.45 -4.28 -0.14 0.00 -0.53 0.00 0.00 39.78 35.28 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 -3.27 3.33 -0.21 -0.44 2.01 -0.51 -5.00 115.64 111.56 2fjf s THR 212 Ca 0.49 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.86 2fjf s THR 212 Cb -0.22 -2.57 0.00 0.00 0.01 0.00 0.00 72.50 69.73 2fjf s THR 212 CO 0.61 0.35 -0.10 -0.75 -0.69 0.00 0.00 174.62 174.04 2fjf s LYS 213 N 1.45 3.21 -0.07 4.92 2.20 -1.26 0.24 119.74 130.44 2fjf s LYS 213 Ca 0.04 -0.72 0.03 0.00 -0.36 0.00 0.00 55.97 54.96 2fjf s LYS 213 Cb -0.15 -2.86 0.01 0.00 -1.51 0.00 0.00 37.83 33.32 2fjf s LYS 213 CO -0.03 -0.22 -0.14 0.08 -0.36 0.00 0.00 175.35 174.68 2fjf s VAL 214 N 1.41 1.27 -0.15 4.02 1.01 0.59 -5.00 120.40 123.55 2fjf s VAL 214 Ca 0.05 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.49 2fjf s VAL 214 Cb -0.14 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.10 2fjf s VAL 214 CO -0.07 0.38 -0.19 -1.81 0.00 0.00 0.00 175.10 173.42 2fjf s ASP 215 N 0.58 3.36 -0.18 3.32 -0.00 -1.26 0.97 116.67 123.47 2fjf s ASP 215 Ca -0.14 -0.54 -0.00 0.00 -0.00 0.00 0.00 52.55 51.86 2fjf s ASP 215 Cb -0.16 -1.50 0.04 0.00 -0.00 0.00 0.00 42.92 41.31 2fjf s ASP 215 CO 0.04 0.08 -0.07 -0.75 -0.00 0.00 0.00 175.17 174.48 2fjf s LYS 216 N 0.82 1.60 0.37 8.23 2.47 -0.34 -4.95 119.74 127.93 2fjf s LYS 216 Ca -0.06 -0.61 -0.28 0.00 -1.56 0.00 0.00 55.97 53.46 2fjf s LYS 216 Cb -0.15 -2.13 -0.10 0.00 -1.46 0.00 0.00 37.83 33.99 2fjf s LYS 216 CO -0.01 -0.43 1.36 0.21 0.16 0.00 0.00 175.35 176.64 2fjf s LYS 217 N 1.57 4.17 -0.06 4.03 2.20 -1.26 -1.68 119.74 128.70 2fjf s LYS 217 Ca 0.00 2.31 0.05 0.00 -0.36 0.00 0.00 55.97 57.96 2fjf s LYS 217 Cb -0.16 -2.95 -0.00 0.00 -1.51 0.00 0.00 37.83 33.21 2fjf s LYS 217 CO -0.08 -0.38 -0.20 0.08 -0.36 0.00 0.00 175.35 174.41 2fjf s VAL 218 N -1.17 1.70 0.18 4.02 1.01 0.34 -4.86 120.40 121.62 2fjf s VAL 218 Ca 0.52 -0.85 -0.23 0.00 0.00 0.00 0.00 61.98 61.42 2fjf s VAL 218 Cb -0.41 -1.46 0.06 0.00 0.00 0.00 0.00 36.38 34.57 2fjf s VAL 218 CO 0.55 0.48 0.70 -1.83 0.00 0.00 0.00 175.10 174.99 2fjf s GLU 219 N 0.10 1.38 -0.03 2.72 -1.05 -1.26 -3.91 118.70 116.66 2fjf s GLU 219 Ca -0.08 -0.63 -0.30 0.00 -0.15 0.00 0.00 54.97 53.82 2fjf s GLU 219 Cb -0.14 0.56 -0.06 0.00 -0.44 0.00 0.00 34.13 34.05 2fjf s GLU 219 CO 0.04 -0.62 1.59 -2.14 0.95 0.00 0.00 175.26 175.09 2fjf s PRO 220 N -3.70 4.20 0.00 -4.83 0.02 -1.26 -4.69 135.00 124.75 2fjf s PRO 220 Ca 0.05 2.16 0.00 0.00 0.02 0.00 0.00 61.00 63.23 2fjf s PRO 220 Cb -0.03 -3.83 0.00 0.00 0.02 0.00 0.00 34.50 30.66 2fjf s PRO 220 CO -0.05 -0.77 0.00 1.63 -0.33 0.00 0.00 177.00 177.48 2fjf n LYS 221 N 6.52 3.44 0.00 5.54 4.76 -1.26 -5.02 118.16 132.13 2fjf n LYS 221 Ca 0.16 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.60 2fjf n LYS 221 Cb 0.43 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 2fjf n LYS 221 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 2fjf n SER 222 N 0.00 0.00 0.00 4.39 2.88 -1.26 -5.21 113.62 114.42 2fjf n SER 222 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2fjf n SER 222 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2fjf n SER 222 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81