#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xxf n PRO 6 N 0.00 0.24 -0.02 3.69 -0.04 -1.26 -4.91 135.00 132.70 1xxf n PRO 6 Ca 0.00 0.15 -0.15 0.00 -0.04 0.00 0.00 63.50 63.46 1xxf n PRO 6 Cb 0.00 -2.24 -0.04 0.00 -0.04 0.00 0.00 33.50 31.19 1xxf n PRO 6 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1xxf h LEU 7 N -0.72 0.84 0.00 1.53 5.85 -2.01 -3.13 115.31 117.67 1xxf h LEU 7 Ca -0.46 -0.53 0.00 0.00 0.84 0.00 0.00 57.88 57.73 1xxf h LEU 7 Cb 1.31 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.10 1xxf h LEU 7 CO 0.44 1.31 0.02 -0.62 -0.34 0.00 0.00 178.44 179.25 1xxf n GLU 8 N -3.93 0.00 0.08 1.25 4.71 -1.26 -0.50 120.64 120.99 1xxf n GLU 8 Ca -0.06 0.08 -0.16 0.00 -0.01 0.00 0.00 57.16 57.02 1xxf n GLU 8 Cb 0.71 -1.52 -0.14 0.00 -1.01 0.00 0.00 31.44 29.48 1xxf n GLU 8 CO 0.00 0.00 0.00 0.87 0.09 0.00 0.00 177.13 178.09 1xxf h LYS 9 N 0.00 0.25 -0.11 3.49 1.79 -1.92 -3.31 116.57 116.76 1xxf h LYS 9 Ca 0.00 -0.42 -0.16 0.00 -2.18 0.00 0.00 60.65 57.89 1xxf h LYS 9 Cb 0.03 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1xxf h LYS 9 CO 0.00 1.15 -0.60 0.82 -1.08 0.00 0.00 179.45 179.75 1xxf h ILE 10 N 0.07 1.36 -1.16 1.86 1.08 -1.01 -3.47 117.51 116.24 1xxf h ILE 10 Ca -0.18 -1.93 0.32 0.00 -0.39 0.00 0.00 64.86 62.69 1xxf h ILE 10 Cb 1.98 1.93 -0.19 0.00 -3.07 0.00 0.00 36.82 37.48 1xxf h ILE 10 CO 0.18 0.58 0.94 0.00 -0.69 0.00 0.00 178.15 179.16 1xxf s ALA 11 N -3.83 -2.22 -0.91 1.87 0.00 -1.23 -5.05 121.76 110.40 1xxf s ALA 11 Ca -0.05 1.66 -0.06 0.00 0.00 0.00 0.00 51.96 53.50 1xxf s ALA 11 Cb 0.12 -0.21 -0.07 0.00 0.00 0.00 0.00 23.12 22.95 1xxf s ALA 11 CO 0.82 -0.65 2.25 -0.35 0.00 0.00 0.00 175.76 177.83 1xxf n PRO 12 N -0.12 2.20 -1.87 0.00 -0.04 -1.26 -4.09 135.00 129.82 1xxf n PRO 12 Ca 0.02 -1.46 -0.42 0.00 -0.04 0.00 0.00 63.50 61.59 1xxf n PRO 12 Cb 0.58 -2.43 -0.03 0.00 -0.04 0.00 0.00 33.50 31.58 1xxf n PRO 12 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1xxf s TYR 13 N 3.08 2.49 0.98 0.54 2.02 -1.26 -4.94 117.35 120.25 1xxf s TYR 13 Ca 0.43 0.30 -0.14 0.00 -0.37 0.00 0.00 57.07 57.29 1xxf s TYR 13 Cb 0.12 -4.01 0.04 0.00 -0.40 0.00 0.00 41.96 37.70 1xxf s TYR 13 CO -0.03 -4.03 0.28 -0.35 -1.57 0.00 0.00 175.55 169.85 1xxf n PRO 14 N 5.28 -0.46 -3.37 -1.71 -0.04 -1.26 -4.90 135.00 128.55 1xxf n PRO 14 Ca 0.16 -0.10 -0.33 0.00 -0.04 0.00 0.00 63.50 63.19 1xxf n PRO 14 Cb 0.39 -1.79 -0.06 0.00 -0.04 0.00 0.00 33.50 32.01 1xxf n PRO 14 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1xxf s GLN 15 N -3.52 3.88 0.03 0.54 -1.52 -1.26 -5.02 119.66 112.79 1xxf s GLN 15 Ca 0.56 0.39 -0.30 0.00 -1.95 0.00 0.00 55.36 54.05 1xxf s GLN 15 Cb -0.19 -2.72 -0.07 0.00 -0.22 0.00 0.00 33.01 29.81 1xxf s GLN 15 CO 0.68 0.35 1.49 0.00 -0.25 0.00 0.00 175.29 177.56 1xxf s ALA 16 N -1.72 3.62 1.25 6.09 0.00 -1.26 -4.99 121.76 124.75 1xxf s ALA 16 Ca 0.45 1.01 -0.16 0.00 0.00 0.00 0.00 51.96 53.26 1xxf s ALA 16 Cb -0.12 -3.63 0.31 0.00 0.00 0.00 0.00 23.12 19.68 1xxf s ALA 16 CO 0.20 -0.96 1.00 -1.21 0.00 0.00 0.00 175.76 174.79 1xxf s GLU 17 N 2.40 -1.62 0.23 0.00 2.02 -1.26 -4.80 118.70 115.67 1xxf s GLU 17 Ca 0.67 0.55 -0.31 0.00 0.02 0.00 0.00 54.97 55.90 1xxf s GLU 17 Cb -0.35 -1.49 -0.12 0.00 0.10 0.00 0.00 34.13 32.27 1xxf s GLU 17 CO 0.29 -4.12 1.70 1.63 0.02 0.00 0.00 175.26 174.78 1xxf n LYS 18 N -5.15 2.79 -0.74 1.61 5.02 -1.26 -1.39 118.16 119.03 1xxf n LYS 18 Ca 0.06 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.35 1xxf n LYS 18 Cb 0.56 -2.84 0.00 0.00 -0.02 0.00 0.00 35.03 32.74 1xxf n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xxf n GLY 19 N 3.50 0.85 3.51 0.72 0.00 -1.26 -5.01 105.19 107.49 1xxf n GLY 19 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1xxf n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xxf s MET 20 N -0.26 1.75 0.07 1.61 -1.94 -0.49 -0.68 119.30 119.35 1xxf s MET 20 Ca 0.00 -1.96 -0.00 0.00 -1.71 0.00 0.00 55.69 52.01 1xxf s MET 20 Cb 0.00 -1.20 -0.04 0.00 2.01 0.00 0.00 34.83 35.60 1xxf s MET 20 CO 0.00 -0.09 -0.03 -1.59 -0.01 0.00 0.00 175.02 173.29 1xxf s LYS 21 N -3.80 0.68 -0.21 2.03 -2.85 -0.12 -4.62 119.74 110.84 1xxf s LYS 21 Ca 0.35 -1.26 -0.04 0.00 -1.00 0.00 0.00 55.97 54.02 1xxf s LYS 21 Cb 0.08 0.13 -0.01 0.00 -2.06 0.00 0.00 37.83 35.97 1xxf s LYS 21 CO 0.16 -0.10 -0.05 0.50 0.10 0.00 0.00 175.35 175.96 1xxf s ARG 22 N -3.91 3.40 -0.17 1.78 3.52 -1.26 -2.14 118.95 120.15 1xxf s ARG 22 Ca 0.09 -0.62 -0.05 0.00 -0.13 0.00 0.00 55.73 55.02 1xxf s ARG 22 Cb 0.07 -2.99 -0.03 0.00 -1.56 0.00 0.00 34.95 30.44 1xxf s ARG 22 CO -0.08 -0.16 0.01 -0.65 -0.81 0.00 0.00 175.30 173.61 1xxf s GLN 23 N 1.38 3.78 -0.04 5.12 1.11 0.11 -4.96 119.66 126.15 1xxf s GLN 23 Ca 0.05 -0.45 0.04 0.00 0.01 0.00 0.00 55.36 55.00 1xxf s GLN 23 Cb -0.14 -3.06 -0.03 0.00 -1.01 0.00 0.00 33.01 28.77 1xxf s GLN 23 CO -0.02 0.21 -0.15 0.08 0.01 0.00 0.00 175.29 175.41 1xxf s VAL 24 N 0.49 2.97 -0.24 1.09 1.01 -1.26 0.20 120.40 124.65 1xxf s VAL 24 Ca -0.01 -0.79 0.00 0.00 0.00 0.00 0.00 61.98 61.19 1xxf s VAL 24 Cb -0.14 -2.16 0.07 0.00 0.00 0.00 0.00 36.38 34.15 1xxf s VAL 24 CO 0.02 0.57 -0.02 -0.63 0.00 0.00 0.00 175.10 175.04 1xxf s ILE 25 N -0.74 1.39 -0.41 2.22 1.01 0.93 -4.95 121.20 120.65 1xxf s ILE 25 Ca 0.12 -1.22 -0.10 0.00 0.00 0.00 0.00 60.65 59.44 1xxf s ILE 25 Cb -0.11 -1.74 0.07 0.00 0.01 0.00 0.00 42.46 40.69 1xxf s ILE 25 CO 0.01 -0.20 0.26 -1.10 0.00 0.00 0.00 174.94 173.91 1xxf s GLN 26 N 1.44 2.69 0.50 2.79 -1.52 -1.26 -0.85 119.66 123.45 1xxf s GLN 26 Ca -0.03 -1.36 -0.19 0.00 -1.95 0.00 0.00 55.36 51.83 1xxf s GLN 26 Cb -0.19 -3.80 -0.08 0.00 -0.22 0.00 0.00 33.01 28.73 1xxf s GLN 26 CO -0.08 -0.90 1.02 -0.51 -0.25 0.00 0.00 175.29 174.57 1xxf s LEU 27 N 1.47 3.76 0.46 2.90 1.43 -1.26 -5.04 118.68 122.40 1xxf s LEU 27 Ca 0.03 1.83 -0.21 0.00 -1.03 0.00 0.00 54.13 54.75 1xxf s LEU 27 Cb -0.22 -4.55 -0.09 0.00 0.03 0.00 0.00 46.19 41.36 1xxf s LEU 27 CO 0.03 -0.78 1.02 0.42 0.23 0.00 0.00 176.35 177.27 1xxf s THR 28 N -2.18 3.92 0.31 5.49 -4.23 -1.26 -4.71 115.64 112.99 1xxf s THR 28 Ca 0.65 1.24 -0.28 0.00 -1.18 0.00 0.00 61.69 62.12 1xxf s THR 28 Cb -0.15 -3.52 -0.09 0.00 1.34 0.00 0.00 72.50 70.08 1xxf s THR 28 CO 0.24 -0.22 1.08 -2.84 -0.54 0.00 0.00 174.62 172.34 1xxf s PRO 29 N -3.10 4.50 0.16 3.99 0.02 -1.26 -4.77 135.00 134.54 1xxf s PRO 29 Ca 0.65 1.71 0.05 0.00 0.02 0.00 0.00 61.00 63.43 1xxf s PRO 29 Cb -0.15 -3.00 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 1xxf s PRO 29 CO 0.19 0.11 -0.12 -0.65 -0.33 0.00 0.00 177.00 176.21 1xxf s GLN 30 N -1.75 1.12 0.10 5.54 -1.52 -1.26 -5.07 119.66 116.83 1xxf s GLN 30 Ca 0.48 -1.46 -0.30 0.00 -1.95 0.00 0.00 55.36 52.14 1xxf s GLN 30 Cb -0.29 -0.78 -0.12 0.00 -0.22 0.00 0.00 33.01 31.60 1xxf s GLN 30 CO 0.37 0.11 1.62 1.49 -0.25 0.00 0.00 175.29 178.63 1xxf h GLU 31 N 2.82 -0.61 -3.06 2.91 4.57 -2.05 -3.34 114.58 115.81 1xxf h GLU 31 Ca -0.37 0.04 -0.62 0.00 -1.18 0.00 0.00 59.36 57.23 1xxf h GLU 31 Cb 1.20 0.14 -0.42 0.00 -0.16 0.00 0.00 28.75 29.51 1xxf h GLU 31 CO 0.61 -0.41 -0.59 0.34 -1.18 0.00 0.00 179.01 177.78 1xxf s ASP 32 N -4.68 4.66 0.01 1.04 3.68 -1.26 -4.92 116.67 115.20 1xxf s ASP 32 Ca -0.16 -3.80 0.11 0.00 2.13 0.00 0.00 52.55 50.84 1xxf s ASP 32 Cb 0.07 -1.58 0.49 0.00 -1.45 0.00 0.00 42.92 40.45 1xxf s ASP 32 CO 0.64 -0.09 1.36 -0.62 0.13 0.00 0.00 175.17 176.59 1xxf n GLU 33 N 2.04 0.01 0.26 4.34 1.02 -1.26 -2.05 120.64 125.01 1xxf n GLU 33 Ca 0.20 0.32 0.15 0.00 -0.02 0.00 0.00 57.16 57.81 1xxf n GLU 33 Cb 0.35 -1.52 0.52 0.00 -0.02 0.00 0.00 31.44 30.78 1xxf n GLU 33 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1xxf h SER 34 N 0.00 0.00 -0.49 1.62 4.64 -1.91 -2.27 113.55 115.14 1xxf h SER 34 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xxf h SER 34 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1xxf h SER 34 CO 0.00 0.02 0.00 0.35 -0.87 0.00 0.00 176.83 176.33 1xxf n THR 35 N -3.11 1.99 -4.19 2.95 -2.24 -0.87 -4.90 114.28 103.91 1xxf n THR 35 Ca 0.02 -1.07 -0.17 0.00 -2.27 0.00 0.00 64.05 60.55 1xxf n THR 35 Cb 0.38 -0.20 -0.12 0.00 -2.10 0.00 0.00 70.33 68.29 1xxf n THR 35 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1xxf s LEU 36 N -2.02 2.33 0.08 3.22 1.43 -0.85 0.16 118.68 123.04 1xxf s LEU 36 Ca 0.43 -0.70 -0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1xxf s LEU 36 Cb 0.31 -0.48 -0.03 0.00 0.03 0.00 0.00 46.19 46.02 1xxf s LEU 36 CO 0.15 -0.13 0.07 -0.54 0.23 0.00 0.00 176.35 176.14 1xxf s LYS 37 N -2.17 0.77 -0.09 1.70 1.02 0.11 -2.89 119.74 118.19 1xxf s LYS 37 Ca 0.02 -1.18 0.04 0.00 0.02 0.00 0.00 55.97 54.87 1xxf s LYS 37 Cb -0.07 0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.50 1xxf s LYS 37 CO 0.02 -0.20 -0.23 0.08 -0.92 0.00 0.00 175.35 174.10 1xxf s VAL 38 N -3.93 1.95 -0.27 3.17 1.01 0.32 -0.01 120.40 122.64 1xxf s VAL 38 Ca 0.10 -0.96 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 1xxf s VAL 38 Cb 0.07 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.71 1xxf s VAL 38 CO -0.07 0.54 0.17 -0.70 0.00 0.00 0.00 175.10 175.03 1xxf s GLU 39 N 0.36 3.94 -0.17 2.72 2.12 -0.00 -0.43 118.70 127.24 1xxf s GLU 39 Ca -0.18 -0.33 -0.26 0.00 0.36 0.00 0.00 54.97 54.56 1xxf s GLU 39 Cb -0.18 -3.59 -0.01 0.00 0.26 0.00 0.00 34.13 30.61 1xxf s GLU 39 CO 0.08 -0.13 0.86 -0.51 -0.54 0.00 0.00 175.26 175.03 1xxf s LEU 40 N 1.59 4.17 -0.39 2.70 1.43 -0.40 -1.68 118.68 126.09 1xxf s LEU 40 Ca 0.07 1.21 -0.05 0.00 -1.03 0.00 0.00 54.13 54.33 1xxf s LEU 40 Cb -0.15 -3.28 0.09 0.00 0.03 0.00 0.00 46.19 42.87 1xxf s LEU 40 CO 0.09 -0.43 0.19 -0.76 0.23 0.00 0.00 176.35 175.66 1xxf s LEU 41 N 2.28 4.97 -0.07 1.79 1.43 0.77 -4.94 118.68 124.91 1xxf s LEU 41 Ca 0.39 -1.71 -0.01 0.00 -1.03 0.00 0.00 54.13 51.78 1xxf s LEU 41 Cb -0.16 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 1xxf s LEU 41 CO 0.12 -0.49 -0.02 -0.63 0.23 0.00 0.00 176.35 175.56 1xxf s ILE 42 N 1.26 4.11 -4.89 -0.59 1.01 -1.26 -0.20 121.20 120.64 1xxf s ILE 42 Ca 0.04 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.34 1xxf s ILE 42 Cb -0.22 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.52 1xxf s ILE 42 CO -0.01 0.58 0.00 0.61 0.00 0.00 0.00 174.94 176.12 1xxf n GLY 43 N 2.09 -0.44 3.27 6.18 0.00 -0.91 -1.78 105.19 113.60 1xxf n GLY 43 Ca -0.18 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 1xxf n GLY 43 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1xxf s GLN 44 N -2.00 0.70 -0.18 1.61 -2.07 -0.54 -0.47 119.66 116.71 1xxf s GLN 44 Ca 0.00 -0.12 -0.29 0.00 -1.82 0.00 0.00 55.36 53.13 1xxf s GLN 44 Cb 0.00 0.31 -0.01 0.00 -1.09 0.00 0.00 33.01 32.23 1xxf s GLN 44 CO 0.00 -0.19 1.20 0.99 -1.32 0.00 0.00 175.29 175.97 1xxf s THR 45 N -1.26 4.39 0.04 3.63 2.01 -1.26 -1.70 115.64 121.49 1xxf s THR 45 Ca -0.13 1.68 -0.02 0.00 0.31 0.00 0.00 61.69 63.54 1xxf s THR 45 Cb -0.05 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 1xxf s THR 45 CO 0.05 -0.14 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.07 1xxf s LEU 46 N 3.36 2.27 -0.47 4.42 1.02 -0.82 -4.97 118.68 123.48 1xxf s LEU 46 Ca 0.52 -0.74 -0.21 0.00 0.02 0.00 0.00 54.13 53.72 1xxf s LEU 46 Cb -0.20 0.25 0.03 0.00 0.02 0.00 0.00 46.19 46.29 1xxf s LEU 46 CO 0.13 -0.48 0.71 -1.61 0.02 0.00 0.00 176.35 175.11 1xxf s GLU 47 N -2.81 3.27 0.40 1.70 2.02 -1.26 -2.11 118.70 119.90 1xxf s GLU 47 Ca -0.03 -0.43 0.08 0.00 0.02 0.00 0.00 54.97 54.60 1xxf s GLU 47 Cb -0.00 -4.00 -0.06 0.00 0.10 0.00 0.00 34.13 30.17 1xxf s GLU 47 CO -0.06 -1.15 0.10 0.14 0.02 0.00 0.00 175.26 174.31 1xxf s VAL 48 N 3.02 2.28 0.00 2.63 -7.23 -0.53 -4.94 120.40 115.63 1xxf s VAL 48 Ca 0.23 -1.84 0.00 0.00 -1.81 0.00 0.00 61.98 58.57 1xxf s VAL 48 Cb -0.15 -2.96 0.00 0.00 0.56 0.00 0.00 36.38 33.83 1xxf s VAL 48 CO 0.18 -0.04 0.00 -0.90 -0.31 0.00 0.00 175.10 174.03 1xxf n ASP 49 N -1.11 0.00 0.21 4.85 3.85 -1.26 -1.75 116.55 121.35 1xxf n ASP 49 Ca -0.03 0.00 0.08 0.00 -0.71 0.00 0.00 54.79 54.13 1xxf n ASP 49 Cb 0.65 0.00 0.44 0.00 -1.35 0.00 0.00 41.12 40.86 1xxf n ASP 49 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1xxf n ASN 51 N -3.53 0.72 -4.60 0.00 5.03 -1.26 -4.93 115.26 106.68 1xxf n ASN 51 Ca -0.00 0.59 -0.42 0.00 0.87 0.00 0.00 54.58 55.62 1xxf n ASN 51 Cb 0.43 -1.47 -0.05 0.00 -1.02 0.00 0.00 39.78 37.68 1xxf n ASN 51 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xxf s LEU 52 N -4.75 4.07 -0.13 3.41 1.43 -1.26 -4.86 118.68 116.60 1xxf s LEU 52 Ca 0.72 0.51 -0.06 0.00 -1.03 0.00 0.00 54.13 54.27 1xxf s LEU 52 Cb -0.30 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 1xxf s LEU 52 CO 0.52 -0.75 0.09 -1.00 0.23 0.00 0.00 176.35 175.43 1xxf s HIS 53 N 3.20 3.41 -0.00 0.29 3.76 -1.26 -2.89 115.29 121.79 1xxf s HIS 53 Ca 0.34 0.34 0.02 0.00 -0.15 0.00 0.00 55.06 55.61 1xxf s HIS 53 Cb -0.13 -1.95 -0.00 0.00 1.11 0.00 0.00 32.58 31.61 1xxf s HIS 53 CO 0.16 0.52 -0.06 0.50 -0.85 0.00 0.00 174.74 175.01 1xxf s ARG 54 N -0.59 0.50 0.24 1.40 6.06 -0.29 -4.59 118.95 121.68 1xxf s ARG 54 Ca 0.12 -0.22 -0.16 0.00 -2.50 0.00 0.00 55.73 52.97 1xxf s ARG 54 Cb -0.12 -0.48 -0.08 0.00 0.06 0.00 0.00 34.95 34.33 1xxf s ARG 54 CO 0.02 0.13 0.67 -1.17 -2.50 0.00 0.00 175.30 172.46 1xxf s LEU 55 N -0.15 4.22 -0.09 -0.88 2.96 -0.17 -0.87 118.68 123.69 1xxf s LEU 55 Ca 0.02 1.24 -0.16 0.00 -0.22 0.00 0.00 54.13 55.01 1xxf s LEU 55 Cb -0.02 -3.72 -0.05 0.00 0.50 0.00 0.00 46.19 42.90 1xxf s LEU 55 CO -0.00 -0.05 0.41 -0.83 -1.32 0.00 0.00 176.35 174.56 1xxf s GLY 56 N -1.98 2.38 0.00 7.98 0.00 -1.25 -3.83 107.32 110.63 1xxf s GLY 56 Ca 0.47 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.93 1xxf s GLY 56 CO 0.19 0.49 0.00 0.61 0.00 0.00 0.00 173.10 174.40 1xxf n GLY 57 N 2.82 2.22 2.94 0.20 0.00 -1.26 -2.25 105.19 109.86 1xxf n GLY 57 Ca -0.10 -0.77 -0.18 0.00 0.00 0.00 0.00 46.02 44.97 1xxf n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xxf s LYS 58 N -2.00 0.58 -0.05 1.61 -2.85 -1.18 -4.67 119.74 111.19 1xxf s LYS 58 Ca 0.00 -0.16 -0.21 0.00 -1.00 0.00 0.00 55.97 54.60 1xxf s LYS 58 Cb 0.00 -0.59 -0.05 0.00 -2.06 0.00 0.00 37.83 35.14 1xxf s LYS 58 CO 0.00 0.05 0.62 -1.17 0.10 0.00 0.00 175.35 174.95 1xxf s LEU 59 N 0.26 4.36 -0.14 2.77 2.96 -1.26 -3.35 118.68 124.27 1xxf s LEU 59 Ca -0.03 1.12 0.02 0.00 -0.22 0.00 0.00 54.13 55.02 1xxf s LEU 59 Cb -0.07 -2.95 0.01 0.00 0.50 0.00 0.00 46.19 43.68 1xxf s LEU 59 CO -0.00 0.00 -0.21 -1.61 -1.32 0.00 0.00 176.35 173.21 1xxf s GLU 60 N 0.32 2.91 -0.36 1.98 2.02 -0.92 -4.94 118.70 119.71 1xxf s GLU 60 Ca 0.33 -0.81 -0.27 0.00 0.02 0.00 0.00 54.97 54.23 1xxf s GLU 60 Cb -0.18 -2.39 0.02 0.00 0.10 0.00 0.00 34.13 31.68 1xxf s GLU 60 CO 0.16 -0.07 1.01 1.21 0.02 0.00 0.00 175.26 177.60 1xxf s ASN 61 N 0.95 6.77 0.18 -0.19 2.47 -1.26 -1.41 114.94 122.44 1xxf s ASN 61 Ca -0.04 0.75 0.11 0.00 0.42 0.00 0.00 52.86 54.10 1xxf s ASN 61 Cb -0.15 -2.51 -0.04 0.00 -1.45 0.00 0.00 41.25 37.10 1xxf s ASN 61 CO -0.04 -0.92 -0.25 -0.54 -3.72 0.00 0.00 177.10 171.63 1xxf s LYS 62 N 3.67 1.48 0.09 0.43 1.02 -0.93 -4.99 119.74 120.51 1xxf s LYS 62 Ca 0.42 -1.48 0.07 0.00 0.02 0.00 0.00 55.97 55.00 1xxf s LYS 62 Cb -0.11 -1.85 -0.04 0.00 -0.52 0.00 0.00 37.83 35.31 1xxf s LYS 62 CO 0.19 0.41 -0.10 0.99 -0.92 0.00 0.00 175.35 175.92 1xxf s THR 63 N -1.52 3.37 -0.46 2.17 2.01 -1.26 -1.45 115.64 118.50 1xxf s THR 63 Ca 0.19 -1.21 -0.27 0.00 0.31 0.00 0.00 61.69 60.71 1xxf s THR 63 Cb -0.08 -2.56 0.03 0.00 0.01 0.00 0.00 72.50 69.90 1xxf s THR 63 CO 0.09 0.16 1.01 -0.22 -0.69 0.00 0.00 174.62 174.96 1xxf s LEU 64 N -2.08 3.86 0.16 4.42 2.96 -0.28 -4.97 118.68 122.75 1xxf s LEU 64 Ca 0.21 0.31 -0.34 0.00 -0.22 0.00 0.00 54.13 54.08 1xxf s LEU 64 Cb -0.11 -3.34 -0.15 0.00 0.50 0.00 0.00 46.19 43.09 1xxf s LEU 64 CO 0.13 -1.11 1.44 -1.84 -1.32 0.00 0.00 176.35 173.65 1xxf n GLU 65 N 7.39 1.79 -0.99 1.98 0.28 -1.26 -0.57 120.64 129.26 1xxf n GLU 65 Ca 0.09 0.64 0.00 0.00 -0.16 0.00 0.00 57.16 57.73 1xxf n GLU 65 Cb 0.49 -2.33 0.00 0.00 1.43 0.00 0.00 31.44 31.03 1xxf n GLU 65 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xxf n GLY 66 N 2.78 0.55 0.59 -1.84 0.00 -1.26 -4.82 105.19 101.19 1xxf n GLY 66 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1xxf n GLY 66 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1xxf n TRP 67 N -2.67 0.00 0.00 1.61 7.02 0.26 -5.04 117.44 118.62 1xxf n TRP 67 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1xxf n TRP 67 Cb 0.04 0.02 0.00 0.00 -2.42 0.00 0.00 31.31 28.96 1xxf n TRP 67 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1xxf n GLY 68 N 3.09 3.29 3.76 6.99 0.00 -0.96 -5.01 105.19 116.35 1xxf n GLY 68 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1xxf n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xxf s TYR 69 N -2.67 2.73 0.08 1.61 2.02 -1.26 -4.75 117.35 115.11 1xxf s TYR 69 Ca 0.00 1.45 0.01 0.00 -0.37 0.00 0.00 57.07 58.16 1xxf s TYR 69 Cb 0.00 -3.58 -0.04 0.00 -0.40 0.00 0.00 41.96 37.94 1xxf s TYR 69 CO 0.00 -2.02 0.20 -0.51 -1.57 0.00 0.00 175.55 171.65 1xxf s ASP 70 N -1.02 6.22 -0.25 2.29 1.01 -1.26 -1.13 116.67 122.53 1xxf s ASP 70 Ca 0.62 0.21 -0.09 0.00 0.71 0.00 0.00 52.55 54.00 1xxf s ASP 70 Cb -0.35 -1.87 0.10 0.00 1.01 0.00 0.00 42.92 41.81 1xxf s ASP 70 CO 0.43 0.15 0.54 -0.72 0.21 0.00 0.00 175.17 175.78 1xxf s TYR 71 N -1.53 -1.04 0.44 4.23 -0.85 -0.53 -4.49 117.35 113.58 1xxf s TYR 71 Ca 0.34 1.91 -0.10 0.00 -0.52 0.00 0.00 57.07 58.70 1xxf s TYR 71 Cb -0.13 0.55 -0.06 0.00 0.38 0.00 0.00 41.96 42.70 1xxf s TYR 71 CO 0.27 -0.55 0.80 0.71 -1.52 0.00 0.00 175.55 175.26 1xxf s TYR 72 N 2.54 3.50 -0.11 -3.49 1.51 -0.58 -2.19 117.35 118.52 1xxf s TYR 72 Ca -0.05 1.04 -0.03 0.00 -1.01 0.00 0.00 57.07 57.03 1xxf s TYR 72 Cb -0.11 -2.45 0.04 0.00 -0.11 0.00 0.00 41.96 39.33 1xxf s TYR 72 CO -0.16 -0.19 0.04 0.08 -1.11 0.00 0.00 175.55 174.21 1xxf s VAL 73 N -2.51 0.22 -0.36 0.71 1.01 -0.50 -1.72 120.40 117.25 1xxf s VAL 73 Ca 0.51 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 62.26 1xxf s VAL 73 Cb -0.10 -0.58 0.00 0.00 0.00 0.00 0.00 36.38 35.70 1xxf s VAL 73 CO 0.35 0.02 0.63 0.12 0.00 0.00 0.00 175.10 176.23 1xxf s PHE 74 N 2.02 3.15 0.26 5.22 5.36 0.33 -2.15 117.98 132.16 1xxf s PHE 74 Ca 0.03 0.34 0.03 0.00 -0.96 0.00 0.00 56.93 56.37 1xxf s PHE 74 Cb -0.14 -3.13 -0.04 0.00 -0.34 0.00 0.00 43.02 39.38 1xxf s PHE 74 CO -0.06 -0.62 0.20 0.16 -1.46 0.00 0.00 175.22 173.43 1xxf s ASP 75 N 1.79 0.82 -0.43 6.13 -4.77 -1.21 -4.20 116.67 114.80 1xxf s ASP 75 Ca 0.24 -1.55 -0.01 0.00 -3.30 0.00 0.00 52.55 47.93 1xxf s ASP 75 Cb -0.15 0.46 0.00 0.00 -1.09 0.00 0.00 42.92 42.14 1xxf s ASP 75 CO 0.15 -0.94 0.08 0.29 0.70 0.00 0.00 175.17 175.45 1xxf n LYS 76 N -0.43 -0.86 -2.32 2.11 4.76 -1.26 -3.09 118.16 117.07 1xxf n LYS 76 Ca 0.04 0.24 -0.37 0.00 -2.87 0.00 0.00 58.31 55.36 1xxf n LYS 76 Cb 0.64 -3.86 -0.02 0.00 -1.84 0.00 0.00 35.03 29.95 1xxf n LYS 76 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1xxf s VAL 77 N -2.49 3.22 0.26 -0.18 1.01 -1.26 -4.08 120.40 116.88 1xxf s VAL 77 Ca 0.04 0.95 -0.03 0.00 0.00 0.00 0.00 61.98 62.94 1xxf s VAL 77 Cb -0.02 -3.49 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1xxf s VAL 77 CO 0.05 0.02 0.30 -0.55 0.00 0.00 0.00 175.10 174.92 1xxf s SER 78 N -1.34 0.48 0.66 3.32 0.15 -0.96 -4.99 113.70 111.03 1xxf s SER 78 Ca 0.61 -1.36 -0.18 0.00 0.70 0.00 0.00 55.95 55.72 1xxf s SER 78 Cb -0.28 0.51 -0.01 0.00 -1.71 0.00 0.00 66.02 64.54 1xxf s SER 78 CO 0.34 -1.03 1.28 -1.20 1.20 0.00 0.00 173.24 173.83 1xxf n SER 79 N -0.72 1.99 -4.77 5.45 7.64 -1.26 -3.80 113.62 118.15 1xxf n SER 79 Ca 0.02 0.82 -0.40 0.00 1.01 0.00 0.00 58.87 60.31 1xxf n SER 79 Cb 0.64 -1.55 -0.01 0.00 -1.01 0.00 0.00 64.21 62.27 1xxf n SER 79 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1xxf s PRO 80 N -3.40 4.17 -0.19 1.43 0.04 -1.26 -4.33 135.00 131.45 1xxf s PRO 80 Ca 0.82 2.30 -0.06 0.00 0.04 0.00 0.00 61.00 64.10 1xxf s PRO 80 Cb -0.38 -2.95 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1xxf s PRO 80 CO 0.41 -0.38 0.03 0.16 0.04 0.00 0.00 177.00 177.26 1xxf s ASP 81 N -0.46 5.22 0.27 6.66 -4.77 -0.05 -4.88 116.67 118.66 1xxf s ASP 81 Ca 0.52 -0.07 0.08 0.00 -3.30 0.00 0.00 52.55 49.78 1xxf s ASP 81 Cb -0.41 -1.90 -0.05 0.00 -1.09 0.00 0.00 42.92 39.47 1xxf s ASP 81 CO 0.55 0.11 -0.10 0.72 0.70 0.00 0.00 175.17 177.14 1xxf s PHE 82 N 0.75 1.99 1.08 2.11 -0.71 -1.26 -1.13 117.98 120.81 1xxf s PHE 82 Ca 0.02 -0.60 -0.16 0.00 -1.04 0.00 0.00 56.93 55.15 1xxf s PHE 82 Cb -0.14 -1.05 0.23 0.00 -1.21 0.00 0.00 43.02 40.85 1xxf s PHE 82 CO 0.02 0.39 1.11 0.95 -1.34 0.00 0.00 175.22 176.35 1xxf s THR 83 N -2.90 1.83 -0.55 -4.49 -4.23 -1.14 -4.96 115.64 99.20 1xxf s THR 83 Ca 0.28 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.82 1xxf s THR 83 Cb 0.01 -2.53 0.42 0.00 1.34 0.00 0.00 72.50 71.74 1xxf s THR 83 CO 0.12 0.00 1.54 0.54 -0.54 0.00 0.00 174.62 176.27 1xxf n ARG 84 N -4.40 3.16 -3.99 3.99 1.74 -1.26 -4.83 116.66 111.07 1xxf n ARG 84 Ca 0.09 -3.95 -0.32 0.00 -0.77 0.00 0.00 57.85 52.90 1xxf n ARG 84 Cb 0.59 -2.27 -0.05 0.00 -1.02 0.00 0.00 32.46 29.70 1xxf n ARG 84 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xxf s VAL 85 N -5.07 5.04 0.06 1.55 1.01 -1.26 -5.10 120.40 116.63 1xxf s VAL 85 Ca 0.53 -0.44 -0.14 0.00 0.00 0.00 0.00 61.98 61.94 1xxf s VAL 85 Cb 0.43 -3.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.36 1xxf s VAL 85 CO -0.16 0.23 0.45 0.54 0.00 0.00 0.00 175.10 176.15 1xxf s VAL 86 N -1.37 4.99 0.17 2.92 0.11 -1.26 -4.77 120.40 121.19 1xxf s VAL 86 Ca 0.29 0.76 0.10 0.00 -2.93 0.00 0.00 61.98 60.21 1xxf s VAL 86 Cb -0.12 -3.71 -0.04 0.00 -1.53 0.00 0.00 36.38 30.97 1xxf s VAL 86 CO 0.21 0.43 -0.23 0.00 -3.33 0.00 0.00 175.10 172.18 1xxf s PRO 88 N -2.58 4.34 1.21 0.00 0.04 -1.26 -5.00 135.00 131.75 1xxf s PRO 88 Ca 0.18 2.18 -0.14 0.00 0.04 0.00 0.00 61.00 63.27 1xxf s PRO 88 Cb -0.08 -3.14 0.30 0.00 0.04 0.00 0.00 34.50 31.63 1xxf s PRO 88 CO 0.08 -0.31 0.97 -0.25 0.04 0.00 0.00 177.00 177.53 1xxf n ASP 89 N 2.18 -2.03 -0.38 6.66 10.43 -1.26 -3.79 116.55 128.35 1xxf n ASP 89 Ca 0.05 -0.24 -0.05 0.00 2.57 0.00 0.00 54.79 57.12 1xxf n ASP 89 Cb 0.42 -1.22 -0.02 0.00 1.84 0.00 0.00 41.12 42.13 1xxf n ASP 89 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1xxf n GLY 90 N 1.15 0.67 2.65 0.44 0.00 -1.26 -4.97 105.19 103.86 1xxf n GLY 90 Ca 0.02 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.63 1xxf n GLY 90 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1xxf s LYS 91 N -1.93 0.00 -0.08 1.61 2.20 -1.25 -5.13 119.74 115.17 1xxf s LYS 91 Ca 0.00 0.19 -0.03 0.00 -0.36 0.00 0.00 55.97 55.77 1xxf s LYS 91 Cb 0.00 -1.04 0.04 0.00 -1.51 0.00 0.00 37.83 35.33 1xxf s LYS 91 CO 0.00 -0.46 0.17 0.15 -0.36 0.00 0.00 175.35 174.85 1xxf s LYS 92 N 2.15 0.10 0.01 4.03 -0.14 -1.26 -4.80 119.74 119.83 1xxf s LYS 92 Ca 0.04 0.43 0.01 0.00 -1.36 0.00 0.00 55.97 55.09 1xxf s LYS 92 Cb -0.14 -0.18 -0.04 0.00 -1.68 0.00 0.00 37.83 35.80 1xxf s LYS 92 CO -0.05 -0.19 0.07 -2.00 -0.76 0.00 0.00 175.35 172.42 1xxf s GLU 93 N 1.37 2.99 -0.45 1.68 2.12 -0.72 -4.94 118.70 120.76 1xxf s GLU 93 Ca -0.07 -0.55 -0.17 0.00 0.36 0.00 0.00 54.97 54.54 1xxf s GLU 93 Cb -0.11 -2.80 0.04 0.00 0.26 0.00 0.00 34.13 31.51 1xxf s GLU 93 CO -0.06 0.63 0.44 0.21 -0.54 0.00 0.00 175.26 175.93 1xxf s LYS 94 N -1.84 3.05 0.22 4.30 2.20 -1.26 -1.45 119.74 124.96 1xxf s LYS 94 Ca 0.24 -0.97 0.08 0.00 -0.36 0.00 0.00 55.97 54.97 1xxf s LYS 94 Cb -0.12 -4.03 -0.05 0.00 -1.51 0.00 0.00 37.83 32.12 1xxf s LYS 94 CO 0.15 -0.95 -0.15 0.15 -0.36 0.00 0.00 175.35 174.20 1xxf s LYS 95 N 2.04 1.41 -0.68 4.03 1.02 -0.90 -4.96 119.74 121.70 1xxf s LYS 95 Ca 0.10 -1.64 -0.22 0.00 0.02 0.00 0.00 55.97 54.23 1xxf s LYS 95 Cb -0.19 -1.24 0.08 0.00 -0.52 0.00 0.00 37.83 35.96 1xxf s LYS 95 CO 0.11 0.20 0.95 0.12 -0.92 0.00 0.00 175.35 175.81 1xxf s PHE 96 N -2.89 2.76 -0.16 3.18 5.36 -1.26 -1.95 117.98 123.02 1xxf s PHE 96 Ca 0.24 -0.70 -0.29 0.00 -0.96 0.00 0.00 56.93 55.22 1xxf s PHE 96 Cb -0.01 -4.26 -0.01 0.00 -0.34 0.00 0.00 43.02 38.40 1xxf s PHE 96 CO 0.09 -1.59 1.15 0.08 -1.46 0.00 0.00 175.22 173.49 1xxf s VAL 97 N 3.74 4.45 0.30 3.12 1.01 -0.69 -4.90 120.40 127.44 1xxf s VAL 97 Ca 0.22 1.76 0.09 0.00 0.00 0.00 0.00 61.98 64.05 1xxf s VAL 97 Cb -0.16 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 1xxf s VAL 97 CO 0.07 -0.11 0.02 0.42 0.00 0.00 0.00 175.10 175.51 1xxf s THR 98 N 2.98 3.12 0.10 3.92 -4.23 -1.26 -1.47 115.64 118.80 1xxf s THR 98 Ca 0.51 -1.90 -0.03 0.00 -1.18 0.00 0.00 61.69 59.09 1xxf s THR 98 Cb -0.20 -2.84 -0.05 0.00 1.34 0.00 0.00 72.50 70.75 1xxf s THR 98 CO 0.14 -0.29 0.30 0.00 -0.54 0.00 0.00 174.62 174.23 1xxf s ALA 99 N -2.40 3.88 -0.12 3.99 0.00 -0.73 -1.00 121.76 125.37 1xxf s ALA 99 Ca 0.34 -0.67 -0.29 0.00 0.00 0.00 0.00 51.96 51.33 1xxf s ALA 99 Cb -0.04 -2.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.06 1xxf s ALA 99 CO 0.20 0.73 1.03 -0.47 0.00 0.00 0.00 175.76 177.26 1xxf s TYR 100 N -1.58 3.45 -0.81 0.00 5.04 -1.25 -4.77 117.35 117.43 1xxf s TYR 100 Ca 0.38 1.53 0.13 0.00 -2.44 0.00 0.00 57.07 56.67 1xxf s TYR 100 Cb -0.13 -3.23 -0.09 0.00 0.35 0.00 0.00 41.96 38.87 1xxf s TYR 100 CO 0.25 -0.39 0.61 1.28 -1.34 0.00 0.00 175.55 175.96 1xxf n LEU 101 N 5.24 0.89 0.00 6.97 4.77 -1.26 -4.82 117.00 128.79 1xxf n LEU 101 Ca 0.10 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 1xxf n LEU 101 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1xxf n LEU 101 CO 0.52 0.19 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 1xxf n GLY 102 N 1.20 2.67 0.14 -0.72 0.00 -1.26 -2.45 105.19 104.77 1xxf n GLY 102 Ca 0.03 -0.43 0.13 0.00 0.00 0.00 0.00 46.02 45.75 1xxf n GLY 102 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xxf h ASP 103 N 9.49 0.00 0.15 1.61 3.32 -1.98 -3.11 116.42 125.90 1xxf h ASP 103 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xxf h ASP 103 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xxf h ASP 103 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1xxf n ALA 104 N -1.87 2.34 0.44 3.45 0.00 -1.02 -2.69 120.51 121.16 1xxf n ALA 104 Ca 0.05 -0.14 0.12 0.00 0.00 0.00 0.00 53.44 53.47 1xxf n ALA 104 Cb 0.45 -1.39 0.05 0.00 0.00 0.00 0.00 19.45 18.56 1xxf n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xxf n GLY 105 N 0.60 -1.32 3.64 0.00 0.00 -1.18 -4.83 105.19 102.10 1xxf n GLY 105 Ca 0.16 -0.32 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1xxf n GLY 105 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1xxf s MET 106 N -3.24 4.10 0.29 1.61 1.00 -1.09 -1.28 119.30 120.68 1xxf s MET 106 Ca 0.03 0.18 0.11 0.00 0.00 0.00 0.00 55.69 56.01 1xxf s MET 106 Cb 0.13 -3.60 -0.05 0.00 0.00 0.00 0.00 34.83 31.31 1xxf s MET 106 CO 0.78 -0.19 -0.10 -0.51 0.00 0.00 0.00 175.02 175.00 1xxf s LEU 107 N 1.81 2.85 0.36 -0.03 1.43 0.43 -4.96 118.68 120.58 1xxf s LEU 107 Ca 0.18 -0.91 -0.25 0.00 -1.03 0.00 0.00 54.13 52.12 1xxf s LEU 107 Cb -0.15 -1.33 -0.09 0.00 0.03 0.00 0.00 46.19 44.64 1xxf s LEU 107 CO 0.09 -0.03 1.00 -0.60 0.23 0.00 0.00 176.35 177.04 1xxf s ARG 108 N -3.60 4.36 -0.35 1.70 3.52 -1.26 -0.52 118.95 122.79 1xxf s ARG 108 Ca 0.31 1.43 -0.29 0.00 -0.13 0.00 0.00 55.73 57.05 1xxf s ARG 108 Cb -0.04 -2.65 0.01 0.00 -1.56 0.00 0.00 34.95 30.70 1xxf s ARG 108 CO 0.17 0.05 1.29 -0.47 -0.81 0.00 0.00 175.30 175.53 1xxf s TYR 109 N -1.65 2.67 -0.31 5.12 6.14 -1.14 -4.63 117.35 123.54 1xxf s TYR 109 Ca 0.54 0.83 -0.03 0.00 0.64 0.00 0.00 57.07 59.05 1xxf s TYR 109 Cb -0.20 -4.06 0.11 0.00 0.42 0.00 0.00 41.96 38.23 1xxf s TYR 109 CO 0.26 -1.64 0.15 1.21 0.64 0.00 0.00 175.55 176.17 1xxf s ASN 110 N 2.93 3.38 0.36 4.32 2.47 -1.26 -4.72 114.94 122.43 1xxf s ASN 110 Ca 0.55 -1.57 0.27 0.00 0.42 0.00 0.00 52.86 52.54 1xxf s ASN 110 Cb -0.14 -0.38 1.15 0.00 -1.45 0.00 0.00 41.25 40.43 1xxf s ASN 110 CO 0.26 -0.40 1.81 0.77 -3.72 0.00 0.00 177.10 175.82 1xxf h SER 111 N 7.99 0.00 0.19 -4.21 4.64 -1.86 -3.04 113.55 117.26 1xxf h SER 111 Ca -0.12 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.17 1xxf h SER 111 Cb 1.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1xxf h SER 111 CO 0.39 0.00 -0.13 0.11 -0.87 0.00 0.00 176.83 176.33 1xxf h LYS 112 N 0.00 0.00 -4.66 4.77 1.57 -1.94 -3.44 116.57 112.87 1xxf h LYS 112 Ca 0.00 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.51 1xxf h LYS 112 Cb 0.38 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.50 1xxf h LYS 112 CO 0.00 0.13 -0.73 -0.51 -0.57 0.00 0.00 179.45 177.77 1xxf s LEU 113 N -8.19 2.34 0.39 2.94 1.43 -1.15 -5.15 118.68 111.30 1xxf s LEU 113 Ca -0.04 -0.70 -0.22 0.00 -1.03 0.00 0.00 54.13 52.14 1xxf s LEU 113 Cb 0.15 -0.17 -0.11 0.00 0.03 0.00 0.00 46.19 46.09 1xxf s LEU 113 CO 0.65 -0.27 0.94 -2.16 0.23 0.00 0.00 176.35 175.73 1xxf s PRO 114 N -2.30 4.31 -0.37 1.29 0.04 -1.26 -4.79 135.00 131.92 1xxf s PRO 114 Ca -0.02 1.15 -0.18 0.00 0.04 0.00 0.00 61.00 61.99 1xxf s PRO 114 Cb -0.05 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1xxf s PRO 114 CO -0.01 0.06 0.51 0.42 0.04 0.00 0.00 177.00 178.03 1xxf s ILE 115 N -2.02 5.01 -0.14 0.56 1.01 -0.03 -4.90 121.20 120.69 1xxf s ILE 115 Ca 0.58 0.22 -0.04 0.00 0.00 0.00 0.00 60.65 61.42 1xxf s ILE 115 Cb -0.12 -4.00 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 1xxf s ILE 115 CO 0.16 -0.28 -0.01 -0.69 0.00 0.00 0.00 174.94 174.12 1xxf s VAL 116 N 2.40 4.14 -0.04 2.92 1.01 -1.26 -0.05 120.40 129.52 1xxf s VAL 116 Ca 0.18 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.89 1xxf s VAL 116 Cb -0.15 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.45 1xxf s VAL 116 CO 0.14 0.52 -0.03 -0.69 0.00 0.00 0.00 175.10 175.04 1xxf s VAL 117 N 0.01 0.39 -0.25 2.92 1.01 0.13 -1.53 120.40 123.08 1xxf s VAL 117 Ca 0.02 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.87 1xxf s VAL 117 Cb -0.13 -0.45 -0.05 0.00 0.00 0.00 0.00 36.38 35.75 1xxf s VAL 117 CO 0.02 0.20 0.15 -0.31 0.00 0.00 0.00 175.10 175.16 1xxf s TYR 118 N 1.02 3.24 0.26 5.22 1.51 -0.70 0.04 117.35 127.94 1xxf s TYR 118 Ca -0.10 0.08 0.01 0.00 -1.01 0.00 0.00 57.07 56.05 1xxf s TYR 118 Cb -0.14 -2.29 -0.05 0.00 -0.11 0.00 0.00 41.96 39.37 1xxf s TYR 118 CO -0.01 -0.08 0.11 0.95 -1.11 0.00 0.00 175.55 175.41 1xxf s THR 119 N 1.36 0.45 1.02 -0.71 -4.23 -0.91 -0.52 115.64 112.10 1xxf s THR 119 Ca 0.07 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.46 1xxf s THR 119 Cb -0.15 -2.60 0.21 0.00 1.34 0.00 0.00 72.50 71.30 1xxf s THR 119 CO 0.07 0.00 1.08 -2.84 -0.54 0.00 0.00 174.62 172.39 1xxf s PRO 120 N -4.03 0.18 0.13 3.99 0.02 -1.26 -0.95 135.00 133.08 1xxf s PRO 120 Ca 0.38 1.11 -0.20 0.00 0.02 0.00 0.00 61.00 62.31 1xxf s PRO 120 Cb 0.07 -1.66 -0.03 0.00 0.02 0.00 0.00 34.50 32.90 1xxf s PRO 120 CO 0.14 -3.06 1.71 0.22 -0.33 0.00 0.00 177.00 175.68 1xxf h ASP 121 N -2.16 -0.15 -0.25 2.53 1.82 -1.18 -2.70 116.42 114.34 1xxf h ASP 121 Ca -0.52 0.05 -0.06 0.00 -0.39 0.00 0.00 57.03 56.10 1xxf h ASP 121 Cb 1.30 0.11 -0.04 0.00 0.68 0.00 0.00 39.33 41.38 1xxf h ASP 121 CO 0.48 -0.05 0.08 -0.46 -1.61 0.00 0.00 179.24 177.68 1xxf n ASN 122 N -5.18 2.84 -4.02 2.28 2.04 -1.26 -4.77 115.26 107.19 1xxf n ASN 122 Ca -0.03 -2.40 -0.30 0.00 -0.44 0.00 0.00 54.58 51.42 1xxf n ASN 122 Cb 0.12 -0.58 -0.16 0.00 -2.53 0.00 0.00 39.78 36.62 1xxf n ASN 122 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1xxf s VAL 123 N -1.42 1.60 0.41 3.53 1.01 -1.02 -4.76 120.40 119.76 1xxf s VAL 123 Ca 0.19 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.42 1xxf s VAL 123 Cb 0.15 -1.54 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 1xxf s VAL 123 CO 0.05 0.39 0.65 -1.81 0.00 0.00 0.00 175.10 174.38 1xxf s ASP 124 N 1.46 6.23 -0.10 3.32 1.01 0.38 -4.62 116.67 124.36 1xxf s ASP 124 Ca 0.04 0.62 0.03 0.00 0.71 0.00 0.00 52.55 53.94 1xxf s ASP 124 Cb -0.14 -2.06 0.01 0.00 1.01 0.00 0.00 42.92 41.74 1xxf s ASP 124 CO -0.10 -0.45 -0.18 -0.69 0.21 0.00 0.00 175.17 173.96 1xxf s VAL 125 N -2.51 1.64 0.39 -1.27 1.01 -1.26 -2.14 120.40 116.26 1xxf s VAL 125 Ca 0.44 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.70 1xxf s VAL 125 Cb -0.10 -1.46 -0.05 0.00 0.00 0.00 0.00 36.38 34.77 1xxf s VAL 125 CO 0.40 0.47 0.06 -0.54 0.00 0.00 0.00 175.10 175.48 1xxf s LYS 126 N 0.69 1.86 0.15 2.72 1.02 0.71 -5.00 119.74 121.91 1xxf s LYS 126 Ca -0.12 -2.09 -0.21 0.00 0.02 0.00 0.00 55.97 53.56 1xxf s LYS 126 Cb -0.16 -1.04 0.06 0.00 -0.52 0.00 0.00 37.83 36.17 1xxf s LYS 126 CO 0.03 -0.27 0.54 1.52 -0.92 0.00 0.00 175.35 176.26 1xxf s TYR 127 N -3.11 -0.44 -0.12 3.18 1.13 -1.26 -0.17 117.35 116.56 1xxf s TYR 127 Ca 0.28 0.20 -0.07 0.00 -1.41 0.00 0.00 57.07 56.07 1xxf s TYR 127 Cb 0.06 0.47 0.05 0.00 -1.10 0.00 0.00 41.96 41.44 1xxf s TYR 127 CO 0.14 -0.81 0.29 0.50 -2.51 0.00 0.00 175.55 173.16 1xxf s ARG 128 N -3.77 0.27 0.58 -3.49 3.52 -0.68 -4.94 118.95 110.45 1xxf s ARG 128 Ca 0.02 0.56 -0.16 0.00 -0.13 0.00 0.00 55.73 56.02 1xxf s ARG 128 Cb -0.00 -0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.30 1xxf s ARG 128 CO -0.13 -0.14 1.05 0.08 -0.81 0.00 0.00 175.30 175.36 1xxf s VAL 129 N 1.08 3.86 -0.07 7.11 1.01 -1.26 -0.82 120.40 131.30 1xxf s VAL 129 Ca -0.08 0.91 0.01 0.00 0.00 0.00 0.00 61.98 62.82 1xxf s VAL 129 Cb -0.08 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.90 1xxf s VAL 129 CO -0.08 -0.50 -0.07 0.26 0.00 0.00 0.00 175.10 174.72 1xxf s TRP 130 N -2.43 1.09 -0.09 5.22 0.52 0.98 -4.89 118.94 119.34 1xxf s TRP 130 Ca 0.64 -0.41 0.00 0.00 0.02 0.00 0.00 56.10 56.35 1xxf s TRP 130 Cb -0.16 -0.93 -0.02 0.00 -1.15 0.00 0.00 33.47 31.21 1xxf s TRP 130 CO 0.35 -0.31 -0.09 0.21 0.02 0.00 0.00 176.95 177.13 1xxf s LYS 131 N 1.20 3.01 0.11 4.98 2.20 -1.26 0.05 119.74 130.03 1xxf s LYS 131 Ca -0.06 -0.61 -0.24 0.00 -0.36 0.00 0.00 55.97 54.70 1xxf s LYS 131 Cb -0.14 -2.61 -0.07 0.00 -1.51 0.00 0.00 37.83 33.50 1xxf s LYS 131 CO -0.02 0.47 0.74 0.00 -0.36 0.00 0.00 175.35 176.18 1xxf s ALA 132 N -0.30 3.45 1.14 3.13 0.00 0.12 -4.99 121.76 124.30 1xxf s ALA 132 Ca 0.04 0.28 -0.13 0.00 0.00 0.00 0.00 51.96 52.14 1xxf s ALA 132 Cb -0.13 -2.92 0.19 0.00 0.00 0.00 0.00 23.12 20.27 1xxf s ALA 132 CO 0.03 0.24 0.76 0.39 0.00 0.00 0.00 175.76 177.17 1xxf n GLU 133 N 2.01 -2.15 0.00 0.00 1.02 -1.26 -4.98 120.64 115.29 1xxf n GLU 133 Ca -0.05 -1.20 0.00 0.00 -0.02 0.00 0.00 57.16 55.88 1xxf n GLU 133 Cb 0.49 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 1xxf n GLU 133 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1xxf n GLU 134 N -3.57 0.00 0.00 3.49 1.02 -1.26 -4.96 120.64 115.36 1xxf n GLU 134 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1xxf n GLU 134 Cb 0.39 -0.04 0.00 0.00 -0.02 0.00 0.00 31.44 31.77 1xxf n GLU 134 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1xxf n LYS 135 N -0.24 0.00 -3.60 3.49 3.00 -1.26 -4.86 118.16 114.69 1xxf n LYS 135 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 58.31 57.91 1xxf n LYS 135 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 35.03 34.93 1xxf n LYS 135 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1xxf s ILE 136 N 0.00 4.22 0.58 3.15 -1.09 -1.26 -5.08 121.20 121.71 1xxf s ILE 136 Ca 0.00 -1.44 -0.16 0.00 -2.23 0.00 0.00 60.65 56.83 1xxf s ILE 136 Cb 0.00 -3.60 -0.05 0.00 -1.58 0.00 0.00 42.46 37.23 1xxf s ILE 136 CO 0.00 -0.53 1.04 -1.81 -1.23 0.00 0.00 174.94 172.41 1xxf s ASP 137 N 2.16 5.98 0.01 3.58 1.01 -1.26 -5.07 116.67 123.08 1xxf s ASP 137 Ca 0.03 1.75 0.03 0.00 0.71 0.00 0.00 52.55 55.07 1xxf s ASP 137 Cb -0.23 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.14 1xxf s ASP 137 CO 0.02 -1.03 -0.03 0.20 0.21 0.00 0.00 175.17 174.54 1xxf s ASN 138 N -2.88 4.88 0.35 0.27 0.01 -1.26 -5.12 114.94 111.19 1xxf s ASN 138 Ca 0.62 -0.09 -0.16 0.00 -0.71 0.00 0.00 52.86 52.52 1xxf s ASN 138 Cb -0.14 -1.20 -0.09 0.00 0.41 0.00 0.00 41.25 40.22 1xxf s ASN 138 CO 0.36 0.27 0.79 0.00 -1.51 0.00 0.00 177.10 177.01 1xxf s ALA 139 N -1.07 3.25 0.18 0.60 0.00 -1.26 -5.07 121.76 118.39 1xxf s ALA 139 Ca 0.19 0.13 -0.03 0.00 0.00 0.00 0.00 51.96 52.25 1xxf s ALA 139 Cb -0.11 -2.86 -0.05 0.00 0.00 0.00 0.00 23.12 20.10 1xxf s ALA 139 CO 0.10 0.28 0.40 0.08 0.00 0.00 0.00 175.76 176.62 1xxf s VAL 140 N -2.03 5.17 -0.41 0.00 1.01 -1.26 -5.06 120.40 117.82 1xxf s VAL 140 Ca 0.56 -0.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.22 1xxf s VAL 140 Cb -0.10 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1xxf s VAL 140 CO 0.16 -0.09 0.49 0.68 0.00 0.00 0.00 175.10 176.34 1xxf s VAL 141 N -1.79 5.02 0.00 2.92 -7.23 -1.26 -5.37 120.40 112.70 1xxf s VAL 141 Ca 0.40 -0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.47 1xxf s VAL 141 Cb -0.12 -4.05 0.00 0.00 0.56 0.00 0.00 36.38 32.78 1xxf s VAL 141 CO 0.27 -0.40 0.00 -2.11 -0.31 0.00 0.00 175.10 172.55