#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9c s GLY 12 N 0.00 -0.24 0.00 7.39 0.00 -1.26 -3.98 107.32 109.24 1s9c s GLY 12 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.95 1s9c s GLY 12 CO 0.00 0.59 0.00 -1.06 0.00 0.00 0.00 173.10 172.63 1s9c n GLN 13 N -0.53 0.00 -3.17 2.90 6.02 -1.04 -4.97 117.38 116.59 1s9c n GLN 13 Ca -0.06 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.97 1s9c n GLN 13 Cb 0.61 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.83 1s9c n GLN 13 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1s9c s LYS 14 N 1.49 0.03 0.45 -1.09 1.02 -1.26 -4.12 119.74 116.25 1s9c s LYS 14 Ca 0.00 0.07 0.02 0.00 0.02 0.00 0.00 55.97 56.08 1s9c s LYS 14 Cb 0.00 0.04 0.00 0.00 -0.52 0.00 0.00 37.83 37.36 1s9c s LYS 14 CO 0.00 -0.01 0.66 -0.51 -0.92 0.00 0.00 175.35 174.56 1s9c s LEU 15 N 2.22 3.62 0.28 3.17 1.43 -1.26 -4.92 118.68 123.22 1s9c s LEU 15 Ca -0.01 0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.91 1s9c s LEU 15 Cb -0.02 -3.02 -0.11 0.00 0.03 0.00 0.00 46.19 43.07 1s9c s LEU 15 CO -0.14 -0.75 1.58 -2.84 0.23 0.00 0.00 176.35 174.42 1s9c s PRO 16 N -4.53 4.14 0.52 1.29 0.02 -1.26 -4.44 135.00 130.73 1s9c s PRO 16 Ca 0.50 2.54 -0.20 0.00 0.02 0.00 0.00 61.00 63.86 1s9c s PRO 16 Cb -0.10 -3.04 -0.07 0.00 0.02 0.00 0.00 34.50 31.31 1s9c s PRO 16 CO 0.37 -0.61 1.10 -1.25 -0.33 0.00 0.00 177.00 176.27 1s9c s PRO 17 N -0.40 3.55 0.20 5.54 0.04 -1.26 -4.58 135.00 138.09 1s9c s PRO 17 Ca 0.63 1.53 -0.05 0.00 0.04 0.00 0.00 61.00 63.15 1s9c s PRO 17 Cb -0.47 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 1s9c s PRO 17 CO 0.47 -0.67 0.23 -0.59 0.04 0.00 0.00 177.00 176.47 1s9c s PHE 18 N -1.83 0.82 0.15 0.56 -0.71 -0.69 -5.02 117.98 111.25 1s9c s PHE 18 Ca 0.70 -1.11 0.07 0.00 -1.04 0.00 0.00 56.93 55.55 1s9c s PHE 18 Cb -0.21 -0.29 -0.04 0.00 -1.21 0.00 0.00 43.02 41.26 1s9c s PHE 18 CO 0.25 -0.73 -0.15 -1.54 -1.34 0.00 0.00 175.22 171.70 1s9c s SER 19 N -3.09 2.30 -0.05 1.98 1.04 -1.26 0.53 113.70 115.15 1s9c s SER 19 Ca 0.30 -0.87 0.02 0.00 0.48 0.00 0.00 55.95 55.89 1s9c s SER 19 Cb 0.05 -0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.08 1s9c s SER 19 CO 0.09 -0.12 -0.10 -0.47 0.98 0.00 0.00 173.24 173.62 1s9c s TYR 20 N -2.28 1.18 0.03 5.02 5.04 0.18 -4.91 117.35 121.61 1s9c s TYR 20 Ca 0.13 -0.39 0.06 0.00 -2.44 0.00 0.00 57.07 54.43 1s9c s TYR 20 Cb -0.04 -0.90 -0.02 0.00 0.35 0.00 0.00 41.96 41.35 1s9c s TYR 20 CO 0.05 -0.22 -0.17 0.00 -1.34 0.00 0.00 175.55 173.87 1s9c s ALA 21 N 0.67 1.39 0.23 3.97 0.00 -1.26 0.13 121.76 126.88 1s9c s ALA 21 Ca -0.12 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.83 1s9c s ALA 21 Cb -0.15 -0.27 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1s9c s ALA 21 CO 0.02 0.30 0.49 1.52 0.00 0.00 0.00 175.76 178.09 1s9c s TYR 22 N -0.72 0.20 0.32 0.00 -0.85 0.66 -4.98 117.35 111.98 1s9c s TYR 22 Ca 0.05 -0.57 0.03 0.00 -0.52 0.00 0.00 57.07 56.05 1s9c s TYR 22 Cb -0.08 0.25 -0.01 0.00 0.38 0.00 0.00 41.96 42.50 1s9c s TYR 22 CO 0.01 -0.96 0.11 0.25 -1.52 0.00 0.00 175.55 173.43 1s9c n THR 23 N -0.36 0.00 -0.03 -3.49 -2.24 -1.26 -1.15 114.28 105.75 1s9c n THR 23 Ca -0.05 -1.82 0.14 0.00 -2.27 0.00 0.00 64.05 60.06 1s9c n THR 23 Cb 0.62 0.64 0.57 0.00 -2.10 0.00 0.00 70.33 70.06 1s9c n THR 23 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1s9c h GLU 24 N 0.00 0.24 0.31 -0.78 3.07 -1.97 -2.73 114.58 112.72 1s9c h GLU 24 Ca -0.25 -0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.59 1s9c h GLU 24 Cb 0.93 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.77 1s9c h GLU 24 CO 0.39 0.16 -0.36 1.25 -1.40 0.00 0.00 179.01 179.05 1s9c h LEU 25 N 0.25 -1.01 -1.54 1.33 5.85 -1.95 0.15 115.31 118.39 1s9c h LEU 25 Ca 0.24 0.09 0.18 0.00 0.84 0.00 0.00 57.88 59.23 1s9c h LEU 25 Cb 0.63 0.34 -0.06 0.00 0.37 0.00 0.00 40.66 41.94 1s9c h LEU 25 CO -0.05 -0.46 0.56 -0.33 -0.34 0.00 0.00 178.44 177.82 1s9c h GLU 26 N -0.68 0.40 0.30 1.25 3.07 -1.89 0.72 114.58 117.76 1s9c h GLU 26 Ca -0.04 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1s9c h GLU 26 Cb 0.60 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1s9c h GLU 26 CO -0.07 0.27 -0.15 0.00 -1.40 0.00 0.00 179.01 177.65 1s9c h ALA 27 N 1.62 -0.41 -0.83 3.43 0.00 -1.20 -2.01 119.26 119.87 1s9c h ALA 27 Ca 0.43 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 55.20 1s9c h ALA 27 Cb 1.03 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1s9c h ALA 27 CO -0.15 -0.57 0.52 0.82 0.00 0.00 0.00 179.25 179.87 1s9c h ILE 28 N -0.73 1.10 -0.91 0.00 2.04 0.15 -0.41 117.51 118.75 1s9c h ILE 28 Ca -0.04 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.52 1s9c h ILE 28 Cb 0.49 0.01 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 1s9c h ILE 28 CO 0.07 0.18 0.58 -0.03 0.00 0.00 0.00 178.15 178.95 1s9c h MET 29 N 1.00 1.07 -0.01 2.37 4.05 -0.88 0.07 114.93 122.60 1s9c h MET 29 Ca 0.34 -0.06 -0.00 0.00 -0.28 0.00 0.00 59.70 59.70 1s9c h MET 29 Cb 0.06 -0.24 -0.00 0.00 -0.80 0.00 0.00 31.60 30.62 1s9c h MET 29 CO -0.13 0.71 0.00 -0.92 0.23 0.00 0.00 176.91 176.79 1s9c h TYR 30 N 1.10 0.01 -0.50 1.39 3.20 -0.41 -1.54 116.97 120.22 1s9c h TYR 30 Ca 0.38 -0.00 0.09 0.00 3.14 0.00 0.00 58.73 62.33 1s9c h TYR 30 Cb 0.08 -0.00 -0.07 0.00 1.54 0.00 0.00 36.73 38.27 1s9c h TYR 30 CO -0.02 0.22 0.08 0.00 -1.64 0.00 0.00 178.16 176.80 1s9c h ALA 31 N 0.79 0.54 0.16 1.82 0.00 -0.40 0.80 119.26 122.97 1s9c h ALA 31 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1s9c h ALA 31 Cb 0.22 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1s9c h ALA 31 CO -0.00 -0.33 -0.07 -0.07 0.00 0.00 0.00 179.25 178.78 1s9c h LEU 32 N 0.21 -0.18 -0.12 0.00 3.38 -0.94 -1.73 115.31 115.94 1s9c h LEU 32 Ca 0.25 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1s9c h LEU 32 Cb 0.35 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.14 1s9c h LEU 32 CO -0.35 -0.05 0.00 0.61 0.09 0.00 0.00 178.44 178.74 1s9c n GLY 33 N -0.95 -0.75 0.73 0.83 0.00 -0.59 -1.69 105.19 102.76 1s9c n GLY 33 Ca -0.09 -0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.00 1s9c n GLY 33 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1s9c n VAL 34 N -1.58 0.81 0.00 1.61 3.14 0.22 -4.49 118.33 118.04 1s9c n VAL 34 Ca 0.01 -0.91 0.00 0.00 -2.96 0.00 0.00 64.34 60.49 1s9c n VAL 34 Cb 0.08 0.65 0.00 0.00 -1.06 0.00 0.00 33.84 33.51 1s9c n VAL 34 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1s9c n GLY 35 N 0.74 0.91 3.56 7.55 0.00 -0.68 -3.51 105.19 113.75 1s9c n GLY 35 Ca 0.13 -0.20 -0.46 0.00 0.00 0.00 0.00 46.02 45.49 1s9c n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s9c n ALA 36 N 0.00 -0.83 -3.02 4.61 0.00 -0.73 -4.98 120.51 115.57 1s9c n ALA 36 Ca 0.00 0.42 -0.12 0.00 0.00 0.00 0.00 53.44 53.74 1s9c n ALA 36 Cb 0.00 -1.96 -0.13 0.00 0.00 0.00 0.00 19.45 17.36 1s9c n ALA 36 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1s9c s SER 37 N -0.46 -0.09 0.00 0.00 0.15 -1.26 -4.56 113.70 107.48 1s9c s SER 37 Ca 0.64 0.18 0.14 0.00 0.70 0.00 0.00 55.95 57.60 1s9c s SER 37 Cb -0.78 0.17 0.81 0.00 -1.71 0.00 0.00 66.02 64.50 1s9c s SER 37 CO 0.57 -0.04 1.30 2.30 1.20 0.00 0.00 173.24 178.58 1s9c n ILE 38 N 3.12 0.00 0.22 6.45 -5.35 -1.26 -2.25 119.36 120.29 1s9c n ILE 38 Ca -0.13 0.00 0.07 0.00 -0.27 0.00 0.00 62.75 62.42 1s9c n ILE 38 Cb 0.59 -0.47 0.52 0.00 -1.74 0.00 0.00 39.64 38.54 1s9c n ILE 38 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1s9c h LYS 39 N 0.00 0.00 -4.64 6.28 3.64 -1.99 -3.37 116.57 116.50 1s9c h LYS 39 Ca 0.00 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.68 1s9c h LYS 39 Cb 0.00 0.00 -0.25 0.00 -0.41 0.00 0.00 32.23 31.57 1s9c h LYS 39 CO 0.00 0.24 -0.53 0.34 -2.27 0.00 0.00 179.45 177.22 1s9c s ASP 40 N -6.58 5.63 0.39 4.20 -1.08 -0.96 -4.98 116.67 113.31 1s9c s ASP 40 Ca -0.03 -0.93 0.19 0.00 -0.52 0.00 0.00 52.55 51.27 1s9c s ASP 40 Cb 0.14 -2.00 1.14 0.00 -1.46 0.00 0.00 42.92 40.74 1s9c s ASP 40 CO 0.66 -0.34 1.73 -0.65 0.52 0.00 0.00 175.17 177.09 1s9c h PRO 41 N 8.39 0.34 0.00 4.34 0.11 -1.85 0.28 132.00 143.61 1s9c h PRO 41 Ca -0.26 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 1s9c h PRO 41 Cb 1.11 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1s9c h PRO 41 CO 0.65 0.22 -0.03 0.87 -0.21 0.00 0.00 178.00 179.51 1s9c h LYS 42 N 0.35 0.00 0.00 1.05 1.57 -1.93 -1.81 116.57 115.80 1s9c h LYS 42 Ca 0.65 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.43 1s9c h LYS 42 Cb 1.68 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.99 1s9c h LYS 42 CO -0.36 0.03 -0.07 -0.25 -0.57 0.00 0.00 179.45 178.23 1s9c n ASP 43 N -3.29 0.32 0.19 0.86 8.00 0.98 -3.34 116.55 120.27 1s9c n ASP 43 Ca -0.02 0.45 0.18 0.00 0.71 0.00 0.00 54.79 56.10 1s9c n ASP 43 Cb 0.16 -0.50 0.81 0.00 -0.02 0.00 0.00 41.12 41.57 1s9c n ASP 43 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1s9c h LEU 44 N 0.00 0.00 -2.17 0.64 5.85 -1.41 0.45 115.31 118.68 1s9c h LEU 44 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1s9c h LEU 44 Cb 0.58 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1s9c h LEU 44 CO 0.00 0.00 0.00 0.50 -0.34 0.00 0.00 178.44 178.60 1s9c h LYS 45 N 0.00 0.00 -0.00 1.25 3.64 -1.76 -1.10 116.57 118.60 1s9c h LYS 45 Ca 0.10 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1s9c h LYS 45 Cb 0.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 1s9c h LYS 45 CO -0.00 0.00 -0.56 1.19 -2.27 0.00 0.00 179.45 177.81 1s9c n PHE 46 N -4.29 0.00 -0.04 1.91 3.72 0.12 -1.54 117.46 117.34 1s9c n PHE 46 Ca -0.03 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.36 1s9c n PHE 46 Cb 0.09 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.53 1s9c n PHE 46 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 1s9c n ILE 47 N -1.15 0.54 -3.85 4.37 5.41 -1.05 -4.43 119.36 119.19 1s9c n ILE 47 Ca 0.03 -0.44 -0.36 0.00 1.00 0.00 0.00 62.75 62.98 1s9c n ILE 47 Cb 0.21 -0.36 -0.13 0.00 -0.71 0.00 0.00 39.64 38.65 1s9c n ILE 47 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1s9c s TYR 48 N -2.53 3.14 0.46 1.39 5.04 -0.44 -4.93 117.35 119.48 1s9c s TYR 48 Ca -0.06 -1.34 0.22 0.00 -2.44 0.00 0.00 57.07 53.45 1s9c s TYR 48 Cb 0.05 -2.17 1.31 0.00 0.35 0.00 0.00 41.96 41.51 1s9c s TYR 48 CO 0.52 -0.67 2.07 1.05 -1.34 0.00 0.00 175.55 177.18 1s9c h GLU 49 N 8.12 0.00 0.00 4.97 9.09 -1.92 -1.81 114.58 133.03 1s9c h GLU 49 Ca -0.30 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.10 1s9c h GLU 49 Cb 1.11 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.21 1s9c h GLU 49 CO 0.58 0.12 -0.06 0.78 0.05 0.00 0.00 179.01 180.48 1s9c h GLY 50 N 0.55 0.00 -4.49 1.06 0.00 -1.94 -3.45 103.07 94.80 1s9c h GLY 50 Ca -0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1s9c h GLY 50 CO 0.02 0.00 0.75 -1.26 0.00 0.00 0.00 176.54 176.05 1s9c n SER 51 N -3.22 3.31 0.28 0.19 2.88 -0.68 -4.83 113.62 111.55 1s9c n SER 51 Ca -0.00 1.14 0.17 0.00 -1.33 0.00 0.00 58.87 58.85 1s9c n SER 51 Cb 0.30 -1.51 0.73 0.00 -0.75 0.00 0.00 64.21 62.98 1s9c n SER 51 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1s9c h SER 52 N 4.55 0.00 0.47 -3.46 4.64 -1.89 -2.07 113.55 115.80 1s9c h SER 52 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 1s9c h SER 52 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1s9c h SER 52 CO 0.78 0.02 -0.64 -0.67 -0.87 0.00 0.00 176.83 175.45 1s9c n ASP 53 N -3.12 0.59 -3.08 4.97 -0.08 -1.26 -5.00 116.55 109.57 1s9c n ASP 53 Ca 0.00 -0.29 -0.43 0.00 -1.51 0.00 0.00 54.79 52.56 1s9c n ASP 53 Cb 0.29 0.39 -0.06 0.00 2.34 0.00 0.00 41.12 44.08 1s9c n ASP 53 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1s9c n PHE 54 N -1.63 0.94 -4.16 -0.67 7.35 -0.78 -4.95 117.46 113.57 1s9c n PHE 54 Ca 0.05 0.74 -0.10 0.00 -0.76 0.00 0.00 57.45 57.37 1s9c n PHE 54 Cb 0.36 -1.44 -0.10 0.00 0.35 0.00 0.00 39.48 38.65 1s9c n PHE 54 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 1s9c s SER 55 N 1.39 0.90 -0.09 -2.13 0.01 -0.59 -4.91 113.70 108.28 1s9c s SER 55 Ca 0.66 -1.06 -0.10 0.00 1.31 0.00 0.00 55.95 56.77 1s9c s SER 55 Cb -0.94 0.15 -0.05 0.00 0.21 0.00 0.00 66.02 65.39 1s9c s SER 55 CO 0.49 -0.55 0.22 0.00 0.41 0.00 0.00 173.24 173.81 1s9c s LEU 57 N -0.88 4.40 0.21 0.00 1.43 -1.26 -4.83 118.68 117.76 1s9c s LEU 57 Ca 0.17 2.54 -0.15 0.00 -1.03 0.00 0.00 54.13 55.66 1s9c s LEU 57 Cb -0.13 -3.62 0.23 0.00 0.03 0.00 0.00 46.19 42.70 1s9c s LEU 57 CO 0.06 -0.61 1.60 -0.65 0.23 0.00 0.00 176.35 176.99 1s9c h PRO 58 N 5.11 -0.06 0.00 1.29 0.11 -1.96 0.44 132.00 136.93 1s9c h PRO 58 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1s9c h PRO 58 Cb 1.22 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1s9c h PRO 58 CO 0.77 -0.04 0.00 0.25 -0.21 0.00 0.00 178.00 178.77 1s9c n THR 59 N -5.46 0.14 0.31 -1.15 -2.24 -1.26 -1.94 114.28 102.68 1s9c n THR 59 Ca 0.08 0.03 0.20 0.00 -2.27 0.00 0.00 64.05 62.09 1s9c n THR 59 Cb 0.36 -0.91 1.00 0.00 -2.10 0.00 0.00 70.33 68.68 1s9c n THR 59 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1s9c h PHE 60 N 0.00 0.00 0.00 4.78 3.57 -1.27 -0.41 116.94 123.61 1s9c h PHE 60 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1s9c h PHE 60 Cb 0.01 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1s9c h PHE 60 CO 0.00 0.01 -0.04 0.78 -2.23 0.00 0.00 178.31 176.83 1s9c h GLY 61 N 0.76 0.00 1.72 2.40 0.00 -1.59 -0.20 103.07 106.17 1s9c h GLY 61 Ca -0.00 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 1s9c h GLY 61 CO 0.00 0.00 -0.06 -2.08 0.00 0.00 0.00 176.54 174.40 1s9c h VAL 62 N 0.00 1.18 0.01 4.60 2.07 -1.32 -2.11 116.25 120.68 1s9c h VAL 62 Ca -0.00 -0.73 -0.20 0.00 0.82 0.00 0.00 66.70 66.59 1s9c h VAL 62 Cb 0.10 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1s9c h VAL 62 CO 0.01 0.24 -0.89 0.40 0.02 0.00 0.00 177.57 177.34 1s9c h ILE 63 N 0.34 1.54 -0.29 4.57 2.04 -1.18 -2.21 117.51 122.32 1s9c h ILE 63 Ca 0.07 -2.77 -0.01 0.00 1.00 0.00 0.00 64.86 63.15 1s9c h ILE 63 Cb 0.33 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 38.93 1s9c h ILE 63 CO 0.01 0.80 0.13 0.40 0.00 0.00 0.00 178.15 179.49 1s9c h ILE 64 N 0.07 1.17 -0.05 -0.67 2.04 -1.10 -2.94 117.51 116.02 1s9c h ILE 64 Ca -0.04 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.33 1s9c h ILE 64 Cb 1.54 0.95 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1s9c h ILE 64 CO 0.13 0.17 0.00 0.61 0.00 0.00 0.00 178.15 179.06 1s9c n GLY 65 N -0.79 0.29 0.10 5.37 0.00 -1.00 -3.97 105.19 105.20 1s9c n GLY 65 Ca -0.02 -0.50 -0.15 0.00 0.00 0.00 0.00 46.02 45.35 1s9c n GLY 65 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1s9c h GLN 66 N 2.85 0.24 -0.44 1.61 4.15 -1.21 -3.39 115.11 118.92 1s9c h GLN 66 Ca 0.00 -0.41 0.18 0.00 0.77 0.00 0.00 58.65 59.19 1s9c h GLN 66 Cb 0.61 0.15 -0.08 0.00 0.21 0.00 0.00 27.48 28.37 1s9c h GLN 66 CO 0.00 1.19 0.20 1.17 -1.93 0.00 0.00 178.83 179.46 1s9c n LYS 67 N -3.50 -0.03 -3.84 1.69 0.00 -1.20 -5.08 118.16 106.20 1s9c n LYS 67 Ca -0.08 0.61 -0.27 0.00 0.00 0.00 0.00 58.31 58.58 1s9c n LYS 67 Cb 1.02 -1.08 -0.17 0.00 0.00 0.00 0.00 35.03 34.79 1s9c n LYS 67 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1s9c s SER 68 N -4.82 2.47 -0.53 3.14 0.01 -1.26 -5.15 113.70 107.56 1s9c s SER 68 Ca -0.04 -0.50 -0.01 0.00 1.31 0.00 0.00 55.95 56.70 1s9c s SER 68 Cb 0.15 -0.75 -0.01 0.00 0.21 0.00 0.00 66.02 65.61 1s9c s SER 68 CO 0.34 -0.19 0.45 0.00 0.41 0.00 0.00 173.24 174.25 1s9c n ALA 85 N 4.97 -1.14 -1.41 1.44 0.00 -1.26 -5.02 120.51 118.09 1s9c n ALA 85 Ca -0.10 0.01 -0.55 0.00 0.00 0.00 0.00 53.44 52.79 1s9c n ALA 85 Cb 0.48 -2.03 -0.08 0.00 0.00 0.00 0.00 19.45 17.82 1s9c n ALA 85 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1s9c n LYS 86 N -2.39 0.00 -4.01 0.00 2.85 -1.26 -4.94 118.16 108.41 1s9c n LYS 86 Ca -0.09 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.86 1s9c n LYS 86 Cb 0.57 -1.31 -0.15 0.00 -0.65 0.00 0.00 35.03 33.49 1s9c n LYS 86 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1s9c s VAL 87 N 1.19 2.15 0.67 0.58 1.01 -1.26 -3.97 120.40 120.77 1s9c s VAL 87 Ca 0.85 -2.14 -0.15 0.00 0.00 0.00 0.00 61.98 60.54 1s9c s VAL 87 Cb -1.20 -2.53 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1s9c s VAL 87 CO 0.60 -0.50 1.13 -0.76 0.00 0.00 0.00 175.10 175.56 1s9c s LEU 88 N 0.99 3.38 -0.32 3.92 1.43 -0.51 -4.86 118.68 122.71 1s9c s LEU 88 Ca 0.07 2.06 -0.03 0.00 -1.03 0.00 0.00 54.13 55.20 1s9c s LEU 88 Cb -0.19 -4.56 0.05 0.00 0.03 0.00 0.00 46.19 41.53 1s9c s LEU 88 CO -0.09 -1.74 0.04 -2.28 0.23 0.00 0.00 176.35 172.52 1s9c s HIS 89 N -2.28 3.30 -0.16 0.29 5.65 -1.26 -1.52 115.29 119.31 1s9c s HIS 89 Ca 0.68 -1.85 -0.19 0.00 0.25 0.00 0.00 55.06 53.95 1s9c s HIS 89 Cb -0.22 -2.27 -0.16 0.00 -1.18 0.00 0.00 32.58 28.75 1s9c s HIS 89 CO 0.42 -0.81 0.32 0.78 -0.65 0.00 0.00 174.74 174.80 1s9c h GLY 90 N 8.05 0.00 -2.63 1.59 0.00 -1.26 -3.43 103.07 105.39 1s9c h GLY 90 Ca -0.21 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.91 1s9c h GLY 90 CO 0.56 0.00 -0.58 -0.54 0.00 0.00 0.00 176.54 175.98 1s9c s GLU 91 N -2.18 1.17 -0.06 4.80 2.02 -1.13 -0.30 118.70 123.03 1s9c s GLU 91 Ca -0.19 -1.56 -0.11 0.00 0.02 0.00 0.00 54.97 53.13 1s9c s GLU 91 Cb 0.01 0.28 0.02 0.00 0.10 0.00 0.00 34.13 34.55 1s9c s GLU 91 CO 0.48 -0.38 0.26 -1.14 0.02 0.00 0.00 175.26 174.50 1s9c s GLN 92 N -4.13 0.45 -0.05 1.61 2.00 -0.67 -1.98 119.66 116.89 1s9c s GLN 92 Ca 0.35 0.08 -0.03 0.00 -2.00 0.00 0.00 55.36 53.75 1s9c s GLN 92 Cb 0.06 0.21 0.02 0.00 0.80 0.00 0.00 33.01 34.10 1s9c s GLN 92 CO 0.10 -0.09 0.12 -0.47 -0.50 0.00 0.00 175.29 174.44 1s9c s TYR 93 N -0.55 -0.13 -0.01 1.67 6.14 -0.95 -1.46 117.35 122.07 1s9c s TYR 93 Ca -0.07 0.36 0.00 0.00 0.64 0.00 0.00 57.07 58.01 1s9c s TYR 93 Cb -0.04 -0.04 0.01 0.00 0.42 0.00 0.00 41.96 42.31 1s9c s TYR 93 CO 0.02 -0.11 -0.00 -1.17 0.64 0.00 0.00 175.55 174.93 1s9c s LEU 94 N 0.63 1.66 -0.05 6.97 2.96 -0.41 -0.85 118.68 129.59 1s9c s LEU 94 Ca -0.05 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1s9c s LEU 94 Cb -0.06 -0.10 0.02 0.00 0.50 0.00 0.00 46.19 46.54 1s9c s LEU 94 CO -0.03 -0.03 -0.08 -0.70 -1.32 0.00 0.00 176.35 174.19 1s9c s GLU 95 N 0.39 1.15 -0.42 1.98 2.12 -0.54 -0.41 118.70 122.96 1s9c s GLU 95 Ca -0.03 -0.25 -0.09 0.00 0.36 0.00 0.00 54.97 54.96 1s9c s GLU 95 Cb -0.06 -1.04 0.08 0.00 0.26 0.00 0.00 34.13 33.38 1s9c s GLU 95 CO -0.01 -0.01 0.26 -0.51 -0.54 0.00 0.00 175.26 174.46 1s9c s LEU 96 N 0.68 5.20 0.53 2.70 1.43 0.11 -1.50 118.68 127.84 1s9c s LEU 96 Ca -0.11 -1.56 0.31 0.00 -1.03 0.00 0.00 54.13 51.74 1s9c s LEU 96 Cb -0.14 -1.98 1.19 0.00 0.03 0.00 0.00 46.19 45.29 1s9c s LEU 96 CO 0.02 -0.55 1.92 1.88 0.23 0.00 0.00 176.35 179.84 1s9c h TYR 97 N 8.40 0.00 -2.42 0.29 -1.99 -0.65 -3.44 116.97 117.16 1s9c h TYR 97 Ca -0.22 0.00 -0.08 0.00 2.00 0.00 0.00 58.73 60.42 1s9c h TYR 97 Cb 1.08 0.00 -0.22 0.00 2.00 0.00 0.00 36.73 39.59 1s9c h TYR 97 CO 0.61 0.02 -0.06 0.15 -0.00 0.00 0.00 178.16 178.88 1s9c s LYS 98 N -3.60 0.68 0.20 4.88 1.02 -1.07 -5.00 119.74 116.85 1s9c s LYS 98 Ca 0.02 0.64 -0.32 0.00 0.02 0.00 0.00 55.97 56.33 1s9c s LYS 98 Cb 0.08 0.33 -0.15 0.00 -0.52 0.00 0.00 37.83 37.58 1s9c s LYS 98 CO 0.57 -0.11 1.25 -2.30 -0.92 0.00 0.00 175.35 173.84 1s9c n PRO 99 N 2.49 1.50 -2.20 -1.68 -0.02 -1.26 -4.85 135.00 128.98 1s9c n PRO 99 Ca -0.15 0.53 -0.42 0.00 -2.02 0.00 0.00 63.50 61.45 1s9c n PRO 99 Cb 0.56 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 1s9c n PRO 99 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1s9c s LEU 100 N 0.44 4.38 0.76 2.45 1.43 -1.26 -4.99 118.68 121.89 1s9c s LEU 100 Ca 0.71 2.33 -0.13 0.00 -1.03 0.00 0.00 54.13 56.01 1s9c s LEU 100 Cb -0.77 -3.59 0.05 0.00 0.03 0.00 0.00 46.19 41.91 1s9c s LEU 100 CO 0.51 -0.61 1.16 -2.16 0.23 0.00 0.00 176.35 175.48 1s9c s PRO 101 N 0.76 2.08 0.00 1.29 0.04 -1.26 -4.40 135.00 133.52 1s9c s PRO 101 Ca 0.62 1.55 0.14 0.00 0.04 0.00 0.00 61.00 63.35 1s9c s PRO 101 Cb -0.36 -1.85 0.82 0.00 0.04 0.00 0.00 34.50 33.15 1s9c s PRO 101 CO 0.32 -1.83 1.27 2.89 0.04 0.00 0.00 177.00 179.69 1s9c n ARG 102 N -3.06 0.41 0.00 4.56 1.85 -1.26 -4.66 116.66 114.50 1s9c n ARG 102 Ca 0.12 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.98 1s9c n ARG 102 Cb 0.51 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.42 1s9c n ARG 102 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1s9c n ALA 103 N -1.03 0.00 0.00 2.89 0.00 -1.26 -3.33 120.51 117.78 1s9c n ALA 103 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1s9c n ALA 103 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 1s9c n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s9c n GLY 104 N -0.20 1.04 3.43 0.00 0.00 -0.30 -4.99 105.19 104.17 1s9c n GLY 104 Ca 0.00 -1.63 -0.31 0.00 0.00 0.00 0.00 46.02 44.08 1s9c n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s9c s LYS 105 N -1.59 2.15 0.01 1.61 1.02 -1.26 -0.25 119.74 121.43 1s9c s LYS 105 Ca 0.00 -0.92 -0.01 0.00 0.02 0.00 0.00 55.97 55.06 1s9c s LYS 105 Cb 0.00 -2.19 -0.01 0.00 -0.52 0.00 0.00 37.83 35.10 1s9c s LYS 105 CO 0.00 0.56 -0.00 -0.51 -0.92 0.00 0.00 175.35 174.47 1s9c s LEU 106 N -1.17 2.11 -0.19 3.17 1.43 0.34 -4.90 118.68 119.47 1s9c s LEU 106 Ca 0.13 -0.35 -0.07 0.00 -1.03 0.00 0.00 54.13 52.81 1s9c s LEU 106 Cb -0.10 0.15 -0.04 0.00 0.03 0.00 0.00 46.19 46.23 1s9c s LEU 106 CO 0.03 -0.24 0.05 -0.75 0.23 0.00 0.00 176.35 175.67 1s9c s LYS 107 N -1.12 3.86 0.04 1.70 2.20 -1.05 0.50 119.74 125.87 1s9c s LYS 107 Ca -0.12 -0.40 0.07 0.00 -0.36 0.00 0.00 55.97 55.15 1s9c s LYS 107 Cb -0.08 -3.18 -0.03 0.00 -1.51 0.00 0.00 37.83 33.03 1s9c s LYS 107 CO -0.01 0.18 -0.16 0.00 -0.36 0.00 0.00 175.35 175.00 1s9c s GLU 109 N -1.50 1.19 0.96 0.00 2.02 -0.17 -1.71 118.70 119.50 1s9c s GLU 109 Ca 0.15 -0.15 -0.14 0.00 0.02 0.00 0.00 54.97 54.85 1s9c s GLU 109 Cb -0.11 -1.42 0.21 0.00 0.10 0.00 0.00 34.13 32.92 1s9c s GLU 109 CO 0.06 -0.30 1.30 0.00 0.02 0.00 0.00 175.26 176.35 1s9c s ALA 110 N 1.80 2.39 0.00 5.21 0.00 -1.26 -0.95 121.76 128.94 1s9c s ALA 110 Ca 0.05 -1.40 0.00 0.00 0.00 0.00 0.00 51.96 50.61 1s9c s ALA 110 Cb -0.13 -2.62 0.00 0.00 0.00 0.00 0.00 23.12 20.37 1s9c s ALA 110 CO -0.07 -2.44 0.00 0.28 0.00 0.00 0.00 175.76 173.53 1s9c n VAL 111 N -3.72 0.00 -2.31 0.00 0.31 -0.10 -4.10 118.33 108.41 1s9c n VAL 111 Ca 0.17 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.12 1s9c n VAL 111 Cb 0.59 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.49 1s9c n VAL 111 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1s9c s VAL 112 N 0.00 3.61 -0.06 2.52 1.01 -1.26 -0.85 120.40 125.38 1s9c s VAL 112 Ca 0.00 -0.08 0.31 0.00 0.00 0.00 0.00 61.98 62.21 1s9c s VAL 112 Cb 0.00 -4.50 0.37 0.00 0.00 0.00 0.00 36.38 32.25 1s9c s VAL 112 CO 0.00 -1.43 1.90 0.00 0.00 0.00 0.00 175.10 175.57 1s9c h ALA 113 N 11.55 1.00 0.00 5.51 0.00 -1.49 -2.75 119.26 133.07 1s9c h ALA 113 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1s9c h ALA 113 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1s9c h ALA 113 CO 1.28 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 177.06 1s9c n ASP 114 N -2.97 0.00 -3.86 0.00 -0.08 -0.65 -4.94 116.55 104.05 1s9c n ASP 114 Ca 0.01 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.18 1s9c n ASP 114 Cb 0.33 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.67 1s9c n ASP 114 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1s9c s VAL 115 N -2.00 0.04 -0.17 5.18 1.01 -1.26 -0.01 120.40 123.20 1s9c s VAL 115 Ca 0.00 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 61.57 1s9c s VAL 115 Cb 0.00 -0.29 0.06 0.00 0.00 0.00 0.00 36.38 36.15 1s9c s VAL 115 CO 0.00 -0.20 0.08 -0.76 0.00 0.00 0.00 175.10 174.22 1s9c s LEU 116 N -0.66 0.48 0.34 3.92 1.43 -1.17 -4.92 118.68 118.10 1s9c s LEU 116 Ca -0.07 -0.61 -0.28 0.00 -1.03 0.00 0.00 54.13 52.13 1s9c s LEU 116 Cb -0.04 -0.30 -0.10 0.00 0.03 0.00 0.00 46.19 45.78 1s9c s LEU 116 CO 0.01 -0.34 1.27 -0.62 0.23 0.00 0.00 176.35 176.90 1s9c s ASP 117 N 2.09 6.75 0.33 2.29 2.15 -1.26 -0.73 116.67 128.28 1s9c s ASP 117 Ca 0.02 2.61 -0.09 0.00 0.43 0.00 0.00 52.55 55.52 1s9c s ASP 117 Cb -0.16 -2.64 0.01 0.00 -0.30 0.00 0.00 42.92 39.83 1s9c s ASP 117 CO -0.09 -0.54 0.56 -0.54 -0.17 0.00 0.00 175.17 174.39 1s9c s LYS 118 N -1.85 1.90 0.00 4.34 1.02 0.49 -4.78 119.74 120.86 1s9c s LYS 118 Ca 0.50 -1.53 0.00 0.00 0.02 0.00 0.00 55.97 54.96 1s9c s LYS 118 Cb -0.38 0.50 0.00 0.00 -0.52 0.00 0.00 37.83 37.43 1s9c s LYS 118 CO 0.50 -0.82 0.00 0.41 -0.92 0.00 0.00 175.35 174.52 1s9c n GLY 119 N -0.51 0.00 1.47 -3.33 0.00 -1.26 -2.23 105.19 99.33 1s9c n GLY 119 Ca -0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.04 1s9c n GLY 119 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1s9c n SER 120 N 0.00 4.62 -1.01 1.61 7.64 -1.26 -5.03 113.62 120.19 1s9c n SER 120 Ca 0.00 -3.08 -0.00 0.00 1.01 0.00 0.00 58.87 56.80 1s9c n SER 120 Cb 0.00 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 62.56 1s9c n SER 120 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s9c n GLY 121 N -0.10 0.97 3.29 0.23 0.00 -0.95 0.12 105.19 108.75 1s9c n GLY 121 Ca 0.28 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 45.16 1s9c n GLY 121 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1s9c s VAL 122 N -2.37 1.81 -1.07 1.61 -7.23 -1.11 -0.38 120.40 111.67 1s9c s VAL 122 Ca 0.00 -1.34 -0.05 0.00 -1.81 0.00 0.00 61.98 58.79 1s9c s VAL 122 Cb -0.00 -1.58 0.30 0.00 0.56 0.00 0.00 36.38 35.65 1s9c s VAL 122 CO 0.00 0.19 1.37 0.52 -0.31 0.00 0.00 175.10 176.86 1s9c n VAL 123 N 1.64 5.03 -2.22 1.32 0.31 0.09 -1.62 118.33 122.88 1s9c n VAL 123 Ca -0.18 -5.78 -0.43 0.00 -0.01 0.00 0.00 64.34 57.94 1s9c n VAL 123 Cb 0.53 -2.19 -0.02 0.00 -0.91 0.00 0.00 33.84 31.24 1s9c n VAL 123 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1s9c s ILE 124 N -2.44 3.86 -0.30 2.52 2.07 -1.22 -3.06 121.20 122.62 1s9c s ILE 124 Ca 0.31 0.97 -0.15 0.00 -1.41 0.00 0.00 60.65 60.38 1s9c s ILE 124 Cb 0.02 -3.86 -0.03 0.00 0.13 0.00 0.00 42.46 38.72 1s9c s ILE 124 CO 0.06 -0.34 0.35 -0.63 -1.91 0.00 0.00 174.94 172.46 1s9c s ILE 125 N 4.85 5.18 -0.24 2.00 1.01 0.99 -2.15 121.20 132.84 1s9c s ILE 125 Ca 0.66 0.33 -0.01 0.00 0.00 0.00 0.00 60.65 61.63 1s9c s ILE 125 Cb -0.22 -3.73 0.03 0.00 0.01 0.00 0.00 42.46 38.55 1s9c s ILE 125 CO 0.27 0.07 -0.10 -0.32 0.00 0.00 0.00 174.94 174.86 1s9c s MET 126 N 2.03 2.80 0.15 2.79 1.75 -0.43 -1.26 119.30 127.13 1s9c s MET 126 Ca 0.13 -0.99 -0.15 0.00 -1.25 0.00 0.00 55.69 53.43 1s9c s MET 126 Cb -0.16 -2.89 -0.07 0.00 2.84 0.00 0.00 34.83 34.55 1s9c s MET 126 CO 0.11 -0.38 0.58 -0.51 -0.65 0.00 0.00 175.02 174.16 1s9c s ASP 127 N 1.29 6.87 -0.12 1.11 1.01 -0.03 -1.79 116.67 125.01 1s9c s ASP 127 Ca 0.00 1.14 -0.04 0.00 0.71 0.00 0.00 52.55 54.35 1s9c s ASP 127 Cb -0.16 -2.31 0.06 0.00 1.01 0.00 0.00 42.92 41.51 1s9c s ASP 127 CO -0.06 0.10 0.23 0.54 0.21 0.00 0.00 175.17 176.19 1s9c s VAL 128 N -1.45 -0.37 -0.12 -1.27 0.11 -0.26 -0.92 120.40 116.11 1s9c s VAL 128 Ca 0.38 0.30 -0.05 0.00 -2.93 0.00 0.00 61.98 59.68 1s9c s VAL 128 Cb -0.15 -0.40 -0.04 0.00 -1.53 0.00 0.00 36.38 34.26 1s9c s VAL 128 CO 0.19 0.13 0.07 -0.31 -3.33 0.00 0.00 175.10 171.85 1s9c s TYR 129 N 2.37 3.36 -0.16 1.54 1.51 -0.12 -1.28 117.35 124.56 1s9c s TYR 129 Ca 0.02 0.30 0.01 0.00 -1.01 0.00 0.00 57.07 56.39 1s9c s TYR 129 Cb -0.12 -1.92 0.01 0.00 -0.11 0.00 0.00 41.96 39.83 1s9c s TYR 129 CO -0.08 0.51 -0.19 -1.12 -1.11 0.00 0.00 175.55 173.56 1s9c s SER 130 N -0.65 3.27 0.47 2.29 0.01 -0.36 -1.00 113.70 117.73 1s9c s SER 130 Ca 0.12 -0.59 0.05 0.00 1.31 0.00 0.00 55.95 56.84 1s9c s SER 130 Cb -0.12 -1.49 -0.02 0.00 0.21 0.00 0.00 66.02 64.60 1s9c s SER 130 CO 0.02 0.04 0.19 -0.31 0.41 0.00 0.00 173.24 173.60 1s9c s TYR 131 N 1.06 2.18 0.00 2.43 1.51 -0.43 -0.60 117.35 123.50 1s9c s TYR 131 Ca -0.01 -0.74 0.00 0.00 -1.01 0.00 0.00 57.07 55.31 1s9c s TYR 131 Cb -0.14 -1.86 0.00 0.00 -0.11 0.00 0.00 41.96 39.84 1s9c s TYR 131 CO -0.06 0.03 0.00 0.45 -1.11 0.00 0.00 175.55 174.86 1s9c n SER 132 N -1.37 3.68 -1.66 2.29 2.88 -1.26 -2.52 113.62 115.65 1s9c n SER 132 Ca -0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.49 1s9c n SER 132 Cb 0.65 0.19 0.00 0.00 -0.75 0.00 0.00 64.21 64.30 1s9c n SER 132 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1s9c n GLU 135 N -2.06 -3.55 -1.90 -1.46 2.13 -1.26 -5.08 120.64 107.46 1s9c n GLU 135 Ca 0.00 2.71 -0.42 0.00 0.66 0.00 0.00 57.16 60.11 1s9c n GLU 135 Cb 0.41 -2.96 -0.03 0.00 0.27 0.00 0.00 31.44 29.13 1s9c n GLU 135 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1s9c s LEU 136 N -0.36 4.37 -0.17 4.31 2.96 -1.26 -4.90 118.68 123.63 1s9c s LEU 136 Ca 0.00 2.52 -0.10 0.00 -0.22 0.00 0.00 54.13 56.33 1s9c s LEU 136 Cb 0.00 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.05 1s9c s LEU 136 CO 0.00 -0.91 -0.24 -0.38 -1.32 0.00 0.00 176.35 173.50 1s9c n ILE 137 N 4.77 1.08 -4.01 6.68 5.41 0.23 -4.70 119.36 128.82 1s9c n ILE 137 Ca 0.16 -0.18 -0.08 0.00 1.00 0.00 0.00 62.75 63.65 1s9c n ILE 137 Cb 0.40 -1.81 -0.09 0.00 -0.71 0.00 0.00 39.64 37.43 1s9c n ILE 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s9c s HIS 139 N -3.51 1.22 -0.04 0.00 2.46 -0.56 -1.22 115.29 113.64 1s9c s HIS 139 Ca 0.03 -0.47 0.05 0.00 0.47 0.00 0.00 55.06 55.13 1s9c s HIS 139 Cb 0.05 -0.98 -0.02 0.00 -0.13 0.00 0.00 32.58 31.49 1s9c s HIS 139 CO -0.09 -0.31 -0.17 -0.80 -2.47 0.00 0.00 174.74 170.89 1s9c s ASN 140 N 1.07 3.76 -0.35 9.88 0.01 -0.40 -1.47 114.94 127.43 1s9c s ASN 140 Ca -0.08 -0.27 0.01 0.00 -0.71 0.00 0.00 52.86 51.81 1s9c s ASN 140 Cb -0.14 -0.73 0.11 0.00 0.41 0.00 0.00 41.25 40.90 1s9c s ASN 140 CO -0.01 0.34 0.13 -1.58 -1.51 0.00 0.00 177.10 174.47 1s9c s GLN 141 N -0.67 0.98 -0.10 -0.60 0.74 -0.03 -1.10 119.66 118.86 1s9c s GLN 141 Ca 0.10 -1.46 -0.27 0.00 0.05 0.00 0.00 55.36 53.79 1s9c s GLN 141 Cb -0.11 -2.25 -0.02 0.00 1.10 0.00 0.00 33.01 31.73 1s9c s GLN 141 CO 0.00 -1.03 0.87 -0.06 -0.55 0.00 0.00 175.29 174.52 1s9c s PHE 142 N 1.15 3.51 -0.35 1.67 0.40 -0.74 -2.23 117.98 121.39 1s9c s PHE 142 Ca 0.12 1.40 -0.10 0.00 -0.60 0.00 0.00 56.93 57.76 1s9c s PHE 142 Cb -0.20 -3.03 0.01 0.00 0.51 0.00 0.00 43.02 40.32 1s9c s PHE 142 CO -0.15 -0.13 0.18 0.45 0.70 0.00 0.00 175.22 176.27 1s9c s SER 143 N 1.04 5.62 0.45 1.36 0.15 -0.84 -1.31 113.70 120.17 1s9c s SER 143 Ca 0.43 -0.82 0.07 0.00 0.70 0.00 0.00 55.95 56.34 1s9c s SER 143 Cb -0.18 -2.00 -0.00 0.00 -1.71 0.00 0.00 66.02 62.12 1s9c s SER 143 CO 0.17 -0.30 0.42 -0.76 1.20 0.00 0.00 173.24 173.97 1s9c s LEU 144 N 1.57 3.28 -0.19 3.45 1.43 -0.91 -0.79 118.68 126.51 1s9c s LEU 144 Ca 0.03 -0.82 -0.04 0.00 -1.03 0.00 0.00 54.13 52.27 1s9c s LEU 144 Cb -0.18 -1.92 0.09 0.00 0.03 0.00 0.00 46.19 44.21 1s9c s LEU 144 CO 0.06 -0.77 0.23 0.12 0.23 0.00 0.00 176.35 176.22 1s9c s PHE 145 N -2.53 -0.31 -0.54 0.29 2.19 -0.58 -3.45 117.98 113.05 1s9c s PHE 145 Ca 0.47 0.36 -0.19 0.00 0.33 0.00 0.00 56.93 57.90 1s9c s PHE 145 Cb -0.03 -0.30 0.07 0.00 -1.31 0.00 0.00 43.02 41.45 1s9c s PHE 145 CO 0.28 -0.56 0.67 -1.17 1.83 0.00 0.00 175.22 176.27 1s9c s LEU 146 N 2.35 5.05 -0.67 6.12 2.96 -0.64 -1.43 118.68 132.42 1s9c s LEU 146 Ca 0.06 -1.06 -0.26 0.00 -0.22 0.00 0.00 54.13 52.65 1s9c s LEU 146 Cb -0.15 -2.41 -0.05 0.00 0.50 0.00 0.00 46.19 44.07 1s9c s LEU 146 CO -0.11 -1.00 2.09 0.68 -1.32 0.00 0.00 176.35 176.69 1s9c s VAL 147 N 2.75 3.24 -1.23 1.68 -7.23 -1.25 -2.73 120.40 115.63 1s9c s VAL 147 Ca 0.15 -0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 1s9c s VAL 147 Cb -0.20 -3.61 0.00 0.00 0.56 0.00 0.00 36.38 33.13 1s9c s VAL 147 CO 0.10 -0.58 0.00 0.61 -0.31 0.00 0.00 175.10 174.92 1s9c n GLY 148 N 6.19 0.35 4.78 2.32 0.00 0.32 -4.95 105.19 114.20 1s9c n GLY 148 Ca 0.32 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.50 1s9c n GLY 148 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s9c n SER 149 N 0.00 0.00 -2.15 1.61 2.88 -1.26 -3.32 113.62 111.38 1s9c n SER 149 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1s9c n SER 149 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1s9c n SER 149 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1s9c n LYS 155 N 9.57 -2.94 0.00 -1.46 4.81 -1.26 -4.51 118.16 122.37 1s9c n LYS 155 Ca 0.00 2.12 0.00 0.00 -0.87 0.00 0.00 58.31 59.56 1s9c n LYS 155 Cb 0.00 -2.82 0.00 0.00 0.02 0.00 0.00 35.03 32.23 1s9c n LYS 155 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1s9c n ARG 156 N 1.90 0.00 -3.66 1.64 5.12 -1.26 -4.58 116.66 115.82 1s9c n ARG 156 Ca 0.00 0.33 -0.24 0.00 -1.93 0.00 0.00 57.85 56.01 1s9c n ARG 156 Cb 0.00 -1.28 0.00 0.00 -1.16 0.00 0.00 32.46 30.02 1s9c n ARG 156 CO 0.00 0.00 0.00 -0.08 -1.93 0.00 0.00 177.63 175.62 1s9c s THR 157 N -2.11 1.95 0.00 0.55 -1.32 -1.26 -4.98 115.64 108.47 1s9c s THR 157 Ca 0.00 -1.37 0.00 0.00 -1.21 0.00 0.00 61.69 59.11 1s9c s THR 157 Cb 0.00 -2.32 0.00 0.00 -1.51 0.00 0.00 72.50 68.67 1s9c s THR 157 CO 0.00 0.00 0.00 -0.24 -2.21 0.00 0.00 174.62 172.17 1s9c n SER 158 N -1.81 1.18 0.00 8.08 2.88 -1.26 -5.08 113.62 117.61 1s9c n SER 158 Ca 0.03 -0.54 0.00 0.00 -1.33 0.00 0.00 58.87 57.03 1s9c n SER 158 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1s9c n SER 158 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1s9c n ASP 159 N -0.98 0.00 -1.61 -3.46 5.75 -1.26 -4.82 116.55 110.17 1s9c n ASP 159 Ca 0.00 -0.99 0.07 0.00 -0.01 0.00 0.00 54.79 53.86 1s9c n ASP 159 Cb 0.00 0.00 0.34 0.00 -1.03 0.00 0.00 41.12 40.43 1s9c n ASP 159 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1s9c n LYS 160 N 0.00 4.04 -4.78 0.11 4.01 -1.26 -4.92 118.16 115.36 1s9c n LYS 160 Ca 0.00 -2.63 -0.33 0.00 -0.51 0.00 0.00 58.31 54.85 1s9c n LYS 160 Cb 0.25 -2.05 -0.14 0.00 -0.51 0.00 0.00 35.03 32.57 1s9c n LYS 160 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1s9c s VAL 161 N -2.29 3.05 -0.52 -0.18 1.01 -1.26 -5.01 120.40 115.19 1s9c s VAL 161 Ca 0.46 -0.67 -0.27 0.00 0.00 0.00 0.00 61.98 61.50 1s9c s VAL 161 Cb 0.33 -2.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 1s9c s VAL 161 CO 0.16 0.53 1.90 -0.54 0.00 0.00 0.00 175.10 177.15 1s9c s LYS 162 N 0.30 2.76 0.54 2.72 -0.14 -1.26 -4.94 119.74 119.72 1s9c s LYS 162 Ca -0.10 0.91 -0.22 0.00 -1.36 0.00 0.00 55.97 55.20 1s9c s LYS 162 Cb -0.16 -4.36 -0.05 0.00 -1.68 0.00 0.00 37.83 31.58 1s9c s LYS 162 CO 0.06 -2.56 1.31 0.28 -0.76 0.00 0.00 175.35 173.68 1s9c n VAL 163 N 7.35 3.73 -1.91 3.17 0.31 -1.26 -5.03 118.33 124.68 1s9c n VAL 163 Ca 0.23 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.76 1s9c n VAL 163 Cb 0.51 -1.60 0.06 0.00 -0.91 0.00 0.00 33.84 31.90 1s9c n VAL 163 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s9c s ALA 164 N -1.30 2.82 -0.02 3.52 0.00 -1.26 -5.02 121.76 120.50 1s9c s ALA 164 Ca 0.71 -0.49 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1s9c s ALA 164 Cb -0.43 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1s9c s ALA 164 CO 0.50 -1.34 -0.08 0.08 0.00 0.00 0.00 175.76 174.91 1s9c s VAL 165 N -3.43 0.70 0.44 0.00 1.01 -0.60 -5.06 120.40 113.46 1s9c s VAL 165 Ca 0.60 -0.32 -0.24 0.00 0.00 0.00 0.00 61.98 62.01 1s9c s VAL 165 Cb -0.11 -0.63 -0.08 0.00 0.00 0.00 0.00 36.38 35.57 1s9c s VAL 165 CO 0.50 0.22 1.25 0.00 0.00 0.00 0.00 175.10 177.07 1s9c s ALA 166 N 0.19 3.08 0.46 5.51 0.00 -1.26 -3.88 121.76 125.86 1s9c s ALA 166 Ca -0.03 1.11 -0.20 0.00 0.00 0.00 0.00 51.96 52.84 1s9c s ALA 166 Cb -0.08 -3.45 -0.10 0.00 0.00 0.00 0.00 23.12 19.49 1s9c s ALA 166 CO 0.00 -0.81 0.97 0.96 0.00 0.00 0.00 175.76 176.88 1s9c s ILE 167 N -1.38 4.35 0.46 0.00 -4.36 -1.26 -5.00 121.20 114.00 1s9c s ILE 167 Ca 0.61 1.39 -0.24 0.00 -0.26 0.00 0.00 60.65 62.15 1s9c s ILE 167 Cb -0.34 -3.61 -0.09 0.00 1.25 0.00 0.00 42.46 39.67 1s9c s ILE 167 CO 0.43 -0.39 1.16 -2.65 0.24 0.00 0.00 174.94 173.72 1s9c n PRO 168 N -0.88 1.59 -2.39 0.37 -0.02 -1.26 -4.88 135.00 127.53 1s9c n PRO 168 Ca 0.07 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.70 1s9c n PRO 168 Cb 0.54 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 1s9c n PRO 168 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 1s9c n ASN 169 N 0.07 4.97 -3.55 2.55 2.85 -1.26 -4.85 115.26 116.04 1s9c n ASN 169 Ca 0.09 -3.05 -0.08 0.00 -0.11 0.00 0.00 54.58 51.42 1s9c n ASN 169 Cb 0.41 -1.53 -0.03 0.00 1.24 0.00 0.00 39.78 39.87 1s9c n ASN 169 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1s9c s ARG 170 N 1.06 0.64 0.47 1.20 1.70 -1.26 -5.15 118.95 117.61 1s9c s ARG 170 Ca 0.42 -0.10 -0.24 0.00 -0.47 0.00 0.00 55.73 55.34 1s9c s ARG 170 Cb 0.08 0.30 -0.08 0.00 -0.57 0.00 0.00 34.95 34.67 1s9c s ARG 170 CO -0.00 -0.25 1.18 -0.35 -1.08 0.00 0.00 175.30 174.79 1s9c n PRO 171 N 0.15 1.61 -1.62 3.89 -0.04 -1.26 -4.90 135.00 132.83 1s9c n PRO 171 Ca -0.08 0.58 -0.39 0.00 -0.04 0.00 0.00 63.50 63.58 1s9c n PRO 171 Cb 0.60 -2.30 0.04 0.00 -0.04 0.00 0.00 33.50 31.79 1s9c n PRO 171 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 1s9c n PRO 172 N -0.25 1.10 0.11 0.54 -0.02 -1.26 -4.93 135.00 130.28 1s9c n PRO 172 Ca 0.09 0.41 -0.03 0.00 -2.02 0.00 0.00 63.50 61.95 1s9c n PRO 172 Cb 0.41 -2.15 0.02 0.00 -0.02 0.00 0.00 33.50 31.77 1s9c n PRO 172 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1s9c h ASP 173 N 0.89 0.00 -4.57 2.55 3.32 -0.94 -3.47 116.42 114.20 1s9c h ASP 173 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1s9c h ASP 173 Cb 1.35 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.69 1s9c h ASP 173 CO 0.53 0.76 0.34 0.00 -1.72 0.00 0.00 179.24 179.15 1s9c s ALA 174 N -3.07 -1.84 -0.14 3.45 0.00 -1.07 -5.04 121.76 114.05 1s9c s ALA 174 Ca 0.01 1.46 -0.04 0.00 0.00 0.00 0.00 51.96 53.38 1s9c s ALA 174 Cb 0.10 -0.35 0.07 0.00 0.00 0.00 0.00 23.12 22.94 1s9c s ALA 174 CO 0.78 -0.34 0.25 0.54 0.00 0.00 0.00 175.76 176.99 1s9c s VAL 175 N -1.08 -0.40 -0.06 0.00 0.11 -1.26 -0.20 120.40 117.51 1s9c s VAL 175 Ca -0.07 0.21 -0.00 0.00 -2.93 0.00 0.00 61.98 59.19 1s9c s VAL 175 Cb -0.00 -0.48 -0.03 0.00 -1.53 0.00 0.00 36.38 34.33 1s9c s VAL 175 CO 0.06 0.06 -0.02 -0.76 -3.33 0.00 0.00 175.10 171.11 1s9c s LEU 176 N 2.40 3.44 0.10 2.54 1.43 -0.90 -4.94 118.68 122.76 1s9c s LEU 176 Ca 0.03 0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 1s9c s LEU 176 Cb -0.13 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1s9c s LEU 176 CO -0.09 0.35 0.15 0.42 0.23 0.00 0.00 176.35 177.40 1s9c s THR 177 N -0.92 4.82 -0.02 5.49 -4.23 -1.26 -1.59 115.64 117.93 1s9c s THR 177 Ca 0.15 -0.73 0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1s9c s THR 177 Cb -0.11 -3.38 0.02 0.00 1.34 0.00 0.00 72.50 70.37 1s9c s THR 177 CO 0.04 0.06 -0.00 -1.81 -0.54 0.00 0.00 174.62 172.37 1s9c s ASP 178 N -2.66 0.32 -0.30 3.99 1.11 -0.37 -4.99 116.67 113.77 1s9c s ASP 178 Ca 0.32 -0.02 -0.16 0.00 0.18 0.00 0.00 52.55 52.86 1s9c s ASP 178 Cb -0.12 -0.13 -0.02 0.00 1.07 0.00 0.00 42.92 43.72 1s9c s ASP 178 CO 0.24 -0.06 0.44 -0.89 1.18 0.00 0.00 175.17 176.08 1s9c s THR 179 N 0.64 5.11 0.39 -1.27 2.01 -1.26 0.08 115.64 121.34 1s9c s THR 179 Ca -0.06 0.49 -0.23 0.00 0.31 0.00 0.00 61.69 62.20 1s9c s THR 179 Cb -0.09 -3.81 -0.10 0.00 0.01 0.00 0.00 72.50 68.51 1s9c s THR 179 CO -0.01 0.01 0.98 -0.89 -0.69 0.00 0.00 174.62 174.01 1s9c s THR 180 N 2.20 4.12 0.32 -0.82 2.01 -0.42 -4.99 115.64 118.05 1s9c s THR 180 Ca 0.17 1.53 -0.15 0.00 0.31 0.00 0.00 61.69 63.55 1s9c s THR 180 Cb -0.16 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.52 1s9c s THR 180 CO 0.11 -0.08 0.73 -0.55 -0.69 0.00 0.00 174.62 174.14 1s9c s SER 181 N -1.82 6.78 0.58 3.53 0.15 -1.26 -3.28 113.70 118.38 1s9c s SER 181 Ca 0.57 1.28 0.39 0.00 0.70 0.00 0.00 55.95 58.90 1s9c s SER 181 Cb -0.16 -2.37 2.13 0.00 -1.71 0.00 0.00 66.02 63.91 1s9c s SER 181 CO 0.21 -0.20 2.20 0.25 1.20 0.00 0.00 173.24 176.90 1s9c h LEU 182 N 2.28 0.00 -3.04 3.45 5.85 -1.90 0.38 115.31 122.33 1s9c h LEU 182 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1s9c h LEU 182 Cb 1.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1s9c h LEU 182 CO 0.65 0.00 0.00 0.59 -0.34 0.00 0.00 178.44 179.34 1s9c n ASN 183 N -2.88 3.10 -0.15 1.25 3.02 -1.26 -4.74 115.26 113.60 1s9c n ASN 183 Ca -0.03 -2.44 -0.04 0.00 -0.03 0.00 0.00 54.58 52.04 1s9c n ASN 183 Cb 0.06 -0.33 0.02 0.00 -0.61 0.00 0.00 39.78 38.93 1s9c n ASN 183 CO 0.00 0.00 0.00 -0.61 -2.62 0.00 0.00 177.26 174.03 1s9c h GLN 184 N 1.54 -0.08 -0.53 3.52 5.75 -1.30 -0.62 115.11 123.39 1s9c h GLN 184 Ca 0.00 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1s9c h GLN 184 Cb 0.97 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.52 1s9c h GLN 184 CO 0.08 -0.05 0.26 0.00 -2.65 0.00 0.00 178.83 176.46 1s9c h ALA 185 N 1.29 0.68 -0.47 3.38 0.00 -1.85 0.78 119.26 123.07 1s9c h ALA 185 Ca 0.23 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1s9c h ALA 185 Cb 0.44 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 1s9c h ALA 185 CO -0.54 0.23 0.32 0.00 0.00 0.00 0.00 179.25 179.27 1s9c h ALA 186 N 1.10 2.11 0.06 0.00 0.00 -1.44 -1.26 119.26 119.83 1s9c h ALA 186 Ca 0.18 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.84 1s9c h ALA 186 Cb 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1s9c h ALA 186 CO -0.02 -0.22 -1.29 1.25 0.00 0.00 0.00 179.25 178.96 1s9c h LEU 187 N 0.25 0.19 -1.26 0.00 5.85 -0.68 -3.38 115.31 116.27 1s9c h LEU 187 Ca 0.22 -0.73 0.05 0.00 0.84 0.00 0.00 57.88 58.25 1s9c h LEU 187 Cb 0.53 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 1s9c h LEU 187 CO -0.04 1.54 0.53 0.22 -0.34 0.00 0.00 178.44 180.34 1s9c h TYR 188 N -0.61 0.91 -0.07 1.25 3.20 -0.65 -1.45 116.97 119.55 1s9c h TYR 188 Ca -0.31 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.60 1s9c h TYR 188 Cb 1.53 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 39.50 1s9c h TYR 188 CO 0.12 0.50 0.06 0.07 -1.64 0.00 0.00 178.16 177.27 1s9c h ARG 189 N 0.92 0.00 0.00 1.82 0.11 -1.41 -0.64 114.38 115.18 1s9c h ARG 189 Ca 0.34 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.42 1s9c h ARG 189 Cb 0.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.24 1s9c h ARG 189 CO -0.11 0.00 0.01 1.28 0.10 0.00 0.00 179.97 181.25 1s9c n LEU 190 N -4.25 0.00 -1.09 0.08 4.77 -0.55 -0.90 117.00 115.06 1s9c n LEU 190 Ca -0.01 0.31 0.09 0.00 -0.03 0.00 0.00 56.01 56.37 1s9c n LEU 190 Cb 0.16 -0.31 0.26 0.00 -2.33 0.00 0.00 43.42 41.19 1s9c n LEU 190 CO 0.32 -0.31 0.71 -1.20 -1.33 0.00 0.00 177.39 175.58 1s9c n SER 191 N -1.30 3.16 0.00 -1.43 7.64 -0.25 -4.96 113.62 116.48 1s9c n SER 191 Ca 0.00 -2.05 0.00 0.00 1.01 0.00 0.00 58.87 57.83 1s9c n SER 191 Cb 0.01 -0.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1s9c n SER 191 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s9c n GLY 192 N 1.34 3.74 3.55 0.23 0.00 -0.08 -4.98 105.19 108.99 1s9c n GLY 192 Ca 0.19 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1s9c n GLY 192 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s9c s ASP 193 N 0.00 6.06 -0.02 1.61 -1.08 -1.23 -4.83 116.67 117.17 1s9c s ASP 193 Ca 0.00 -0.38 0.14 0.00 -0.52 0.00 0.00 52.55 51.80 1s9c s ASP 193 Cb 0.00 -2.56 0.46 0.00 -1.46 0.00 0.00 42.92 39.36 1s9c s ASP 193 CO 0.00 -1.90 1.36 0.79 0.52 0.00 0.00 175.17 175.94 1s9c n TRP 194 N 9.80 0.78 -1.63 -5.34 7.02 -1.26 -4.54 117.44 122.26 1s9c n TRP 194 Ca 0.06 -0.36 -0.57 0.00 -1.02 0.00 0.00 57.50 55.61 1s9c n TRP 194 Cb 0.49 -0.06 -0.07 0.00 -2.42 0.00 0.00 31.31 29.25 1s9c n TRP 194 CO 0.00 0.00 0.00 -1.71 -2.02 0.00 0.00 177.69 173.96 1s9c n ASN 195 N 0.88 1.48 0.32 -0.99 2.85 -1.26 -4.77 115.26 113.76 1s9c n ASN 195 Ca 0.17 1.12 0.21 0.00 -0.11 0.00 0.00 54.58 55.98 1s9c n ASN 195 Cb 0.49 -1.08 1.14 0.00 1.24 0.00 0.00 39.78 41.58 1s9c n ASN 195 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1s9c h PRO 196 N 5.12 0.00 -0.29 1.20 0.11 -1.96 -2.59 132.00 133.60 1s9c h PRO 196 Ca -0.47 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.72 1s9c h PRO 196 Cb 1.35 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.45 1s9c h PRO 196 CO 0.84 0.00 0.31 1.25 -0.21 0.00 0.00 178.00 180.19 1s9c h LEU 197 N 0.00 0.00 -2.00 2.35 5.85 -1.86 0.24 115.31 119.88 1s9c h LEU 197 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1s9c h LEU 197 Cb 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1s9c h LEU 197 CO 0.00 0.00 0.00 1.41 -0.34 0.00 0.00 178.44 179.51 1s9c n HIS 198 N -3.78 0.42 0.00 1.25 8.25 -0.97 -2.61 115.22 117.78 1s9c n HIS 198 Ca 0.04 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 1s9c n HIS 198 Cb 0.46 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 1s9c n HIS 198 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 1s9c n ILE 199 N 1.20 0.00 -2.26 1.59 3.06 -0.47 -4.52 119.36 117.96 1s9c n ILE 199 Ca 0.18 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 60.02 1s9c n ILE 199 Cb 0.54 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.69 1s9c n ILE 199 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1s9c s ASP 200 N -1.38 5.93 0.28 9.51 -1.08 0.71 -4.85 116.67 125.78 1s9c s ASP 200 Ca 0.00 0.47 0.03 0.00 -0.52 0.00 0.00 52.55 52.53 1s9c s ASP 200 Cb 0.00 -2.54 0.65 0.00 -1.46 0.00 0.00 42.92 39.57 1s9c s ASP 200 CO 0.00 -1.83 1.76 -0.65 0.52 0.00 0.00 175.17 174.96 1s9c h PRO 201 N 12.11 0.63 0.00 4.34 0.11 -1.95 -2.20 132.00 145.04 1s9c h PRO 201 Ca -0.28 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1s9c h PRO 201 Cb 1.12 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1s9c h PRO 201 CO 1.16 0.42 0.00 -1.71 -0.21 0.00 0.00 178.00 177.66 1s9c n ASN 202 N -4.85 0.00 0.00 -2.05 4.05 -1.26 -2.50 115.26 108.64 1s9c n ASN 202 Ca 0.20 0.73 0.00 0.00 0.45 0.00 0.00 54.58 55.96 1s9c n ASN 202 Cb 0.52 -0.23 0.00 0.00 1.23 0.00 0.00 39.78 41.31 1s9c n ASN 202 CO 0.00 0.00 0.00 0.33 -3.05 0.00 0.00 177.26 174.54 1s9c n PHE 203 N -1.21 0.00 0.08 1.20 7.35 -1.16 0.82 117.46 124.54 1s9c n PHE 203 Ca 0.00 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.47 1s9c n PHE 203 Cb 0.00 -0.13 -0.15 0.00 0.35 0.00 0.00 39.48 39.55 1s9c n PHE 203 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1s9c h ALA 204 N 0.89 -0.11 0.01 3.13 0.00 -1.09 -3.17 119.26 118.92 1s9c h ALA 204 Ca 0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 54.91 53.93 1s9c h ALA 204 Cb 0.33 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1s9c h ALA 204 CO 0.00 0.48 -0.97 0.66 0.00 0.00 0.00 179.25 179.43 1s9c h SER 205 N -0.19 0.52 0.00 0.00 4.64 0.47 0.27 113.55 119.26 1s9c h SER 205 Ca -0.18 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 1s9c h SER 205 Cb 1.82 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 1s9c h SER 205 CO 0.20 1.23 0.15 0.25 -0.87 0.00 0.00 176.83 177.79 1s9c h LEU 206 N 0.21 0.00 0.00 5.97 5.85 -1.54 0.93 115.31 126.74 1s9c h LEU 206 Ca -0.08 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1s9c h LEU 206 Cb 1.61 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.64 1s9c h LEU 206 CO 0.17 0.00 -1.76 0.00 -0.34 0.00 0.00 178.44 176.51 1s9c n ALA 207 N -1.86 2.49 0.00 1.25 0.00 -1.02 -5.03 120.51 116.34 1s9c n ALA 207 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 52.98 1s9c n ALA 207 Cb 0.20 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.15 1s9c n ALA 207 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s9c n GLY 208 N 1.65 1.92 2.92 0.00 0.00 0.32 -5.09 105.19 106.90 1s9c n GLY 208 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1s9c n GLY 208 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s9c s PHE 209 N -2.00 1.79 0.65 1.61 0.08 0.75 -4.93 117.98 115.93 1s9c s PHE 209 Ca 0.00 -1.10 0.07 0.00 0.12 0.00 0.00 56.93 56.03 1s9c s PHE 209 Cb 0.00 -1.36 0.28 0.00 -0.57 0.00 0.00 43.02 41.37 1s9c s PHE 209 CO 0.00 -0.62 1.11 -0.44 -0.10 0.00 0.00 175.22 175.17 1s9c h ASP 210 N 8.11 0.00 -4.69 1.36 5.19 -1.95 -3.24 116.42 121.20 1s9c h ASP 210 Ca -0.27 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.14 1s9c h ASP 210 Cb 1.11 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.42 1s9c h ASP 210 CO 0.42 0.00 0.32 -1.59 -3.12 0.00 0.00 179.24 175.27 1s9c s LYS 211 N -4.10 0.90 0.57 3.56 -2.85 -1.26 -4.96 119.74 111.59 1s9c s LYS 211 Ca -0.01 0.19 -0.18 0.00 -1.00 0.00 0.00 55.97 54.98 1s9c s LYS 211 Cb 0.04 0.42 -0.09 0.00 -2.06 0.00 0.00 37.83 36.14 1s9c s LYS 211 CO 0.12 -0.29 0.43 -2.30 0.10 0.00 0.00 175.35 173.41 1s9c n PRO 212 N 0.79 0.42 -4.23 1.78 -0.02 -1.26 -4.97 135.00 127.52 1s9c n PRO 212 Ca -0.16 0.17 -0.25 0.00 -2.02 0.00 0.00 63.50 61.24 1s9c n PRO 212 Cb 0.58 -1.60 -0.07 0.00 -0.02 0.00 0.00 33.50 32.38 1s9c n PRO 212 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1s9c s ILE 213 N -1.77 3.68 0.38 4.25 -4.36 -1.07 -4.54 121.20 117.77 1s9c s ILE 213 Ca 0.67 -1.59 -0.24 0.00 -0.26 0.00 0.00 60.65 59.22 1s9c s ILE 213 Cb -0.45 -2.90 -0.09 0.00 1.25 0.00 0.00 42.46 40.27 1s9c s ILE 213 CO 0.56 -0.22 1.03 -0.22 0.24 0.00 0.00 174.94 176.34 1s9c s LEU 214 N -3.26 4.18 0.33 0.37 2.96 0.80 -4.12 118.68 119.95 1s9c s LEU 214 Ca 0.29 2.00 -0.29 0.00 -0.22 0.00 0.00 54.13 55.91 1s9c s LEU 214 Cb -0.08 -4.15 -0.12 0.00 0.50 0.00 0.00 46.19 42.34 1s9c s LEU 214 CO 0.19 -0.41 1.52 1.41 -1.32 0.00 0.00 176.35 177.74 1s9c n HIS 215 N 0.05 2.84 -0.30 5.38 8.25 -1.26 -4.66 115.22 125.52 1s9c n HIS 215 Ca 0.04 0.37 -0.02 0.00 -0.26 0.00 0.00 57.72 57.86 1s9c n HIS 215 Cb 0.50 -2.55 0.10 0.00 1.12 0.00 0.00 29.99 29.16 1s9c n HIS 215 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1s9c h GLY 216 N 3.76 1.21 2.00 -1.41 0.00 -1.95 -1.29 103.07 105.39 1s9c h GLY 216 Ca -0.48 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.44 1s9c h GLY 216 CO 0.71 0.35 0.00 1.41 0.00 0.00 0.00 176.54 179.01 1s9c h LEU 217 N 1.05 0.00 0.00 3.11 3.38 -1.98 -1.76 115.31 119.11 1s9c h LEU 217 Ca 0.33 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.25 1s9c h LEU 217 Cb -0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1s9c h LEU 217 CO -0.11 0.00 -0.22 0.00 0.09 0.00 0.00 178.44 178.20 1s9c h THR 219 N -0.55 1.05 -0.12 0.00 2.02 -1.36 -0.44 112.91 113.50 1s9c h THR 219 Ca -0.03 -0.29 0.04 0.00 0.77 0.00 0.00 66.41 66.90 1s9c h THR 219 Cb 0.99 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 1s9c h THR 219 CO 0.04 0.16 -0.17 0.15 0.37 0.00 0.00 175.52 176.07 1s9c h PHE 220 N 0.86 -0.44 -0.84 3.16 3.57 -1.33 -1.16 116.94 120.76 1s9c h PHE 220 Ca 0.32 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.89 1s9c h PHE 220 Cb 0.11 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 39.00 1s9c h PHE 220 CO -0.05 -0.24 0.53 0.78 -2.23 0.00 0.00 178.31 177.10 1s9c h GLY 221 N -0.22 1.26 0.13 2.40 0.00 -0.02 -0.06 103.07 106.55 1s9c h GLY 221 Ca 0.09 -0.39 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1s9c h GLY 221 CO -0.25 0.29 -0.11 0.74 0.00 0.00 0.00 176.54 177.21 1s9c h PHE 222 N 0.98 -0.29 -0.66 5.60 -1.00 -0.08 0.16 116.94 121.65 1s9c h PHE 222 Ca 0.36 0.00 0.12 0.00 2.81 0.00 0.00 57.97 61.26 1s9c h PHE 222 Cb 0.12 0.11 -0.09 0.00 3.61 0.00 0.00 35.95 39.70 1s9c h PHE 222 CO -0.03 -0.15 0.21 0.77 -1.61 0.00 0.00 178.31 177.50 1s9c h SER 223 N -0.23 0.15 -0.70 2.17 0.02 -1.17 0.14 113.55 113.92 1s9c h SER 223 Ca -0.02 0.10 0.04 0.00 -0.84 0.00 0.00 61.79 61.08 1s9c h SER 223 Cb 0.19 0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.80 1s9c h SER 223 CO -0.00 0.07 0.43 0.00 -1.14 0.00 0.00 176.83 176.19 1s9c h ALA 224 N 1.49 0.92 -1.00 3.77 0.00 -0.93 -0.19 119.26 123.32 1s9c h ALA 224 Ca 0.35 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.27 1s9c h ALA 224 Cb 0.51 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1s9c h ALA 224 CO -0.38 0.18 0.66 -0.09 0.00 0.00 0.00 179.25 179.62 1s9c h ARG 225 N 0.82 1.28 -0.26 0.00 2.43 0.20 -1.30 114.38 117.56 1s9c h ARG 225 Ca 0.29 -0.08 -0.09 0.00 -0.81 0.00 0.00 59.98 59.30 1s9c h ARG 225 Cb 0.06 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.32 1s9c h ARG 225 CO -0.13 0.84 -0.18 0.00 -1.51 0.00 0.00 179.97 179.00 1s9c h ARG 226 N 1.32 0.57 -0.61 0.20 2.47 -0.36 -2.27 114.38 115.70 1s9c h ARG 226 Ca 0.38 -0.28 0.04 0.00 -1.26 0.00 0.00 59.98 58.87 1s9c h ARG 226 Cb -0.08 -0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.19 1s9c h ARG 226 CO -0.10 0.85 0.35 0.28 0.56 0.00 0.00 179.97 181.91 1s9c h VAL 227 N 0.29 1.01 -0.60 2.04 2.07 -0.71 0.15 116.25 120.50 1s9c h VAL 227 Ca 0.05 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.43 1s9c h VAL 227 Cb 0.71 0.29 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 1s9c h VAL 227 CO 0.05 0.12 0.23 0.25 0.02 0.00 0.00 177.57 178.24 1s9c h LEU 228 N 0.66 0.23 0.00 2.57 5.85 -1.06 -0.36 115.31 123.21 1s9c h LEU 228 Ca 0.26 0.07 -0.14 0.00 0.84 0.00 0.00 57.88 58.91 1s9c h LEU 228 Cb 0.11 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 1s9c h LEU 228 CO -0.14 0.14 -0.72 0.06 -0.34 0.00 0.00 178.44 177.44 1s9c h GLN 229 N 0.41 0.00 0.22 1.25 3.07 -0.81 -1.92 115.11 117.33 1s9c h GLN 229 Ca 0.30 0.00 -0.32 0.00 0.09 0.00 0.00 58.65 58.72 1s9c h GLN 229 Cb 0.36 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.95 1s9c h GLN 229 CO -0.30 0.62 -1.47 0.37 0.09 0.00 0.00 178.83 178.14 1s9c h GLN 230 N 0.00 0.46 -0.15 0.06 5.75 -0.32 -3.33 115.11 117.58 1s9c h GLN 230 Ca -0.02 -0.78 0.00 0.00 -0.15 0.00 0.00 58.65 57.70 1s9c h GLN 230 Cb 1.51 0.29 0.00 0.00 1.07 0.00 0.00 27.48 30.35 1s9c h GLN 230 CO 0.08 1.37 0.00 1.19 -2.65 0.00 0.00 178.83 178.83 1s9c n PHE 231 N -3.75 0.20 -1.61 3.99 3.72 -0.18 -4.67 117.46 115.15 1s9c n PHE 231 Ca -0.19 -0.50 0.00 0.00 -0.05 0.00 0.00 57.45 56.71 1s9c n PHE 231 Cb 1.05 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.55 1s9c n PHE 231 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1s9c n ALA 232 N -0.06 1.50 -4.00 4.37 0.00 -0.92 -5.02 120.51 116.37 1s9c n ALA 232 Ca 0.05 -0.58 -0.30 0.00 0.00 0.00 0.00 53.44 52.60 1s9c n ALA 232 Cb 0.33 -0.20 -0.00 0.00 0.00 0.00 0.00 19.45 19.58 1s9c n ALA 232 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1s9c n ASP 233 N 0.00 -2.96 -1.68 0.00 8.00 -1.14 -0.65 116.55 118.12 1s9c n ASP 233 Ca 0.00 -0.91 -0.12 0.00 0.71 0.00 0.00 54.79 54.47 1s9c n ASP 233 Cb 0.58 -3.35 -0.04 0.00 -0.02 0.00 0.00 41.12 38.29 1s9c n ASP 233 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1s9c n ASN 234 N -2.83 -3.36 -4.48 -2.24 5.03 -0.77 -4.84 115.26 101.77 1s9c n ASN 234 Ca -0.06 0.27 -0.43 0.00 0.87 0.00 0.00 54.58 55.22 1s9c n ASN 234 Cb 0.56 -3.08 -0.02 0.00 -1.02 0.00 0.00 39.78 36.23 1s9c n ASN 234 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 1s9c s ASP 235 N -2.02 6.73 0.45 6.41 -1.08 0.18 -4.86 116.67 122.47 1s9c s ASP 235 Ca 0.00 -2.21 0.32 0.00 -0.52 0.00 0.00 52.55 50.14 1s9c s ASP 235 Cb 0.00 -2.43 1.47 0.00 -1.46 0.00 0.00 42.92 40.49 1s9c s ASP 235 CO 0.00 -1.06 1.60 0.58 0.52 0.00 0.00 175.17 176.82 1s9c h VAL 236 N 5.67 0.07 0.00 1.11 2.07 -1.88 0.20 116.25 123.50 1s9c h VAL 236 Ca 0.22 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.70 1s9c h VAL 236 Cb 0.98 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1s9c h VAL 236 CO 1.21 0.01 -0.12 0.77 0.02 0.00 0.00 177.57 179.45 1s9c h SER 237 N 0.05 0.00 0.41 0.57 4.64 -1.96 -2.58 113.55 114.68 1s9c h SER 237 Ca 0.85 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.17 1s9c h SER 237 Cb 2.73 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.82 1s9c h SER 237 CO -0.42 0.12 -0.14 0.54 -0.87 0.00 0.00 176.83 176.06 1s9c n ARG 238 N -3.77 0.60 -2.73 4.77 1.74 0.71 -4.71 116.66 113.26 1s9c n ARG 238 Ca -0.02 -0.22 -0.42 0.00 -0.77 0.00 0.00 57.85 56.42 1s9c n ARG 238 Cb 0.23 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.14 1s9c n ARG 238 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1s9c s PHE 239 N -2.55 2.55 -0.17 -1.55 2.19 -0.97 -1.72 117.98 115.75 1s9c s PHE 239 Ca 0.26 -0.45 -0.23 0.00 0.33 0.00 0.00 56.93 56.84 1s9c s PHE 239 Cb 0.20 -4.44 -0.22 0.00 -1.31 0.00 0.00 43.02 37.24 1s9c s PHE 239 CO 0.50 -1.81 0.43 0.87 1.83 0.00 0.00 175.22 177.03 1s9c h LYS 240 N 9.70 0.04 -2.52 10.12 1.57 -1.45 -3.42 116.57 130.61 1s9c h LYS 240 Ca -0.22 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1s9c h LYS 240 Cb 1.06 0.02 -0.15 0.00 0.08 0.00 0.00 32.23 33.24 1s9c h LYS 240 CO 1.23 1.03 0.28 0.00 -0.57 0.00 0.00 179.45 181.42 1s9c s ALA 241 N -2.34 -1.70 0.01 3.86 0.00 -1.15 0.10 121.76 120.53 1s9c s ALA 241 Ca -0.25 0.87 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 1s9c s ALA 241 Cb 0.03 0.47 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 1s9c s ALA 241 CO 0.65 -0.62 0.01 0.14 0.00 0.00 0.00 175.76 175.94 1s9c s VAL 242 N -2.80 0.07 -0.02 0.00 -7.23 0.45 0.28 120.40 111.15 1s9c s VAL 242 Ca -0.02 -0.54 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 1s9c s VAL 242 Cb -0.01 -0.20 0.01 0.00 0.56 0.00 0.00 36.38 36.75 1s9c s VAL 242 CO -0.05 -0.30 -0.04 -0.75 -0.31 0.00 0.00 175.10 173.65 1s9c s LYS 243 N -0.89 0.49 0.01 4.82 2.47 -0.50 -1.29 119.74 124.84 1s9c s LYS 243 Ca -0.10 -0.10 -0.12 0.00 -1.56 0.00 0.00 55.97 54.09 1s9c s LYS 243 Cb -0.06 -0.53 0.01 0.00 -1.46 0.00 0.00 37.83 35.80 1s9c s LYS 243 CO -0.00 -0.00 0.25 0.00 0.16 0.00 0.00 175.35 175.76 1s9c s ALA 244 N 0.43 -0.59 -0.10 3.13 0.00 -0.53 -0.97 121.76 123.12 1s9c s ALA 244 Ca -0.05 0.05 0.04 0.00 0.00 0.00 0.00 51.96 52.00 1s9c s ALA 244 Cb -0.08 0.18 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 1s9c s ALA 244 CO -0.00 -0.31 -0.23 0.50 0.00 0.00 0.00 175.76 175.72 1s9c s ARG 245 N -1.86 3.06 0.05 0.00 3.52 -0.83 -1.68 118.95 121.22 1s9c s ARG 245 Ca -0.10 -0.86 -0.21 0.00 -0.13 0.00 0.00 55.73 54.43 1s9c s ARG 245 Cb -0.04 -2.33 -0.06 0.00 -1.56 0.00 0.00 34.95 30.96 1s9c s ARG 245 CO 0.00 0.20 0.63 -0.06 -0.81 0.00 0.00 175.30 175.26 1s9c s PHE 246 N 0.31 3.76 0.00 5.12 0.08 0.59 -0.46 117.98 127.38 1s9c s PHE 246 Ca -0.17 1.31 0.00 0.00 0.12 0.00 0.00 56.93 58.19 1s9c s PHE 246 Cb -0.18 -2.62 0.00 0.00 -0.57 0.00 0.00 43.02 39.65 1s9c s PHE 246 CO 0.08 0.44 0.00 0.00 -0.10 0.00 0.00 175.22 175.64 1s9c n ALA 247 N 2.27 0.00 -1.24 5.36 0.00 0.10 -4.90 120.51 122.10 1s9c n ALA 247 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.04 1s9c n ALA 247 Cb 0.50 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.05 1s9c n ALA 247 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1s9c s LYS 248 N 3.24 2.06 0.82 0.00 1.02 -0.99 -4.94 119.74 120.96 1s9c s LYS 248 Ca 0.00 1.56 -0.11 0.00 0.02 0.00 0.00 55.97 57.44 1s9c s LYS 248 Cb 0.00 -1.84 0.09 0.00 -0.52 0.00 0.00 37.83 35.55 1s9c s LYS 248 CO 0.00 -1.85 1.09 -2.14 -0.92 0.00 0.00 175.35 171.53 1s9c s PRO 249 N -4.24 1.83 -0.04 -1.68 0.02 -1.26 -4.36 135.00 125.27 1s9c s PRO 249 Ca 0.69 1.06 0.03 0.00 0.02 0.00 0.00 61.00 62.81 1s9c s PRO 249 Cb -0.24 -1.86 -0.00 0.00 0.02 0.00 0.00 34.50 32.42 1s9c s PRO 249 CO 0.49 -1.91 -0.14 0.08 -0.33 0.00 0.00 177.00 175.19 1s9c s VAL 250 N -2.90 1.16 -0.17 3.83 1.01 -1.26 -4.92 120.40 117.15 1s9c s VAL 250 Ca 0.62 -0.57 -0.05 0.00 0.00 0.00 0.00 61.98 61.98 1s9c s VAL 250 Cb -0.18 -1.01 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 1s9c s VAL 250 CO 0.56 0.34 0.00 -0.31 0.00 0.00 0.00 175.10 175.70 1s9c s TYR 251 N 0.12 3.10 -0.38 5.22 1.51 -1.26 -0.14 117.35 125.53 1s9c s TYR 251 Ca -0.04 -0.20 -0.44 0.00 -1.01 0.00 0.00 57.07 55.38 1s9c s TYR 251 Cb -0.10 -2.02 -0.19 0.00 -0.11 0.00 0.00 41.96 39.54 1s9c s TYR 251 CO 0.02 -0.00 1.59 -2.30 -1.11 0.00 0.00 175.55 173.75 1s9c n PRO 252 N 3.63 0.37 0.00 -1.71 -0.02 -1.26 -0.56 135.00 135.45 1s9c n PRO 252 Ca -0.17 0.14 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 1s9c n PRO 252 Cb 0.52 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 1s9c n PRO 252 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s9c n GLY 253 N 3.81 1.15 3.58 -1.23 0.00 -0.98 -4.51 105.19 107.01 1s9c n GLY 253 Ca 0.28 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 1s9c n GLY 253 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1s9c s GLN 254 N -0.03 -0.30 -0.22 1.61 -0.21 0.28 -4.28 119.66 116.51 1s9c s GLN 254 Ca 0.00 0.64 -0.05 0.00 0.02 0.00 0.00 55.36 55.97 1s9c s GLN 254 Cb 0.00 -1.64 -0.02 0.00 1.00 0.00 0.00 33.01 32.35 1s9c s GLN 254 CO 0.00 -3.25 -0.01 0.99 -2.12 0.00 0.00 175.29 170.89 1s9c s THR 255 N -2.73 3.69 0.44 -0.19 2.01 -1.26 -1.30 115.64 116.29 1s9c s THR 255 Ca 0.67 -0.39 -0.21 0.00 0.31 0.00 0.00 61.69 62.07 1s9c s THR 255 Cb -0.22 -2.68 -0.11 0.00 0.01 0.00 0.00 72.50 69.50 1s9c s THR 255 CO 0.61 0.41 0.96 -0.76 -0.69 0.00 0.00 174.62 175.15 1s9c s LEU 256 N 1.36 3.91 -0.27 4.42 1.43 0.11 -1.21 118.68 128.43 1s9c s LEU 256 Ca 0.04 1.69 -0.02 0.00 -1.03 0.00 0.00 54.13 54.82 1s9c s LEU 256 Cb -0.14 -4.54 0.09 0.00 0.03 0.00 0.00 46.19 41.63 1s9c s LEU 256 CO -0.00 -0.39 0.09 -1.58 0.23 0.00 0.00 176.35 174.69 1s9c s GLN 257 N -3.24 0.59 -0.40 1.70 0.74 0.47 -1.23 119.66 118.29 1s9c s GLN 257 Ca 0.62 -0.78 -0.17 0.00 0.05 0.00 0.00 55.36 55.07 1s9c s GLN 257 Cb -0.09 -1.85 0.01 0.00 1.10 0.00 0.00 33.01 32.17 1s9c s GLN 257 CO 0.15 -0.90 0.46 0.99 -0.55 0.00 0.00 175.29 175.43 1s9c s THR 258 N 1.78 5.06 -0.09 -0.34 2.01 -0.62 -0.63 115.64 122.80 1s9c s THR 258 Ca 0.07 -0.13 -0.15 0.00 0.31 0.00 0.00 61.69 61.79 1s9c s THR 258 Cb -0.17 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.29 1s9c s THR 258 CO -0.23 -0.35 0.38 -1.61 -0.69 0.00 0.00 174.62 172.12 1s9c s GLU 259 N 2.23 4.14 0.03 4.92 2.02 0.13 -2.12 118.70 130.05 1s9c s GLU 259 Ca 0.14 0.29 0.06 0.00 0.02 0.00 0.00 54.97 55.48 1s9c s GLU 259 Cb -0.16 -3.35 -0.02 0.00 0.10 0.00 0.00 34.13 30.69 1s9c s GLU 259 CO 0.14 0.38 -0.16 -1.64 0.02 0.00 0.00 175.26 174.00 1s9c s MET 260 N -0.04 1.11 -0.09 1.61 -1.94 0.72 -1.05 119.30 119.62 1s9c s MET 260 Ca 0.22 -0.79 0.01 0.00 -1.71 0.00 0.00 55.69 53.41 1s9c s MET 260 Cb -0.15 -1.15 0.02 0.00 2.01 0.00 0.00 34.83 35.56 1s9c s MET 260 CO 0.09 0.29 -0.09 -1.58 -0.01 0.00 0.00 175.02 173.72 1s9c s TRP 261 N -0.78 1.43 -0.24 -0.03 0.51 0.34 -0.21 118.94 119.97 1s9c s TRP 261 Ca 0.04 -0.63 -0.15 0.00 -2.12 0.00 0.00 56.10 53.23 1s9c s TRP 261 Cb -0.08 -1.14 -0.04 0.00 -0.81 0.00 0.00 33.47 31.40 1s9c s TRP 261 CO 0.01 -0.41 0.38 0.21 -0.51 0.00 0.00 176.95 176.64 1s9c s LYS 262 N 1.27 4.09 -0.57 4.98 2.20 -1.26 -0.51 119.74 129.94 1s9c s LYS 262 Ca -0.03 0.11 0.04 0.00 -0.36 0.00 0.00 55.97 55.73 1s9c s LYS 262 Cb -0.14 -3.60 0.17 0.00 -1.51 0.00 0.00 37.83 32.75 1s9c s LYS 262 CO -0.03 -0.17 0.41 -1.21 -0.36 0.00 0.00 175.35 173.99 1s9c s GLU 263 N 1.73 1.75 7.66 4.03 0.41 -0.59 -5.01 118.70 128.68 1s9c s GLU 263 Ca 0.17 -2.75 0.00 0.00 -0.41 0.00 0.00 54.97 51.97 1s9c s GLU 263 Cb -0.15 -2.54 0.00 0.00 -1.78 0.00 0.00 34.13 29.66 1s9c s GLU 263 CO 0.09 -1.32 0.00 0.41 -0.49 0.00 0.00 175.26 173.95 1s9c n GLY 264 N 2.44 2.38 1.00 -1.39 0.00 -1.26 -2.48 105.19 105.89 1s9c n GLY 264 Ca 0.23 -0.37 0.12 0.00 0.00 0.00 0.00 46.02 45.99 1s9c n GLY 264 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1s9c n ASN 265 N 8.45 3.02 -4.41 1.61 5.03 -1.26 -4.85 115.26 122.85 1s9c n ASN 265 Ca 0.00 -1.93 -0.35 0.00 0.87 0.00 0.00 54.58 53.16 1s9c n ASN 265 Cb 0.00 -0.18 -0.13 0.00 -1.02 0.00 0.00 39.78 38.45 1s9c n ASN 265 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1s9c s ARG 266 N -1.65 3.57 -0.41 3.52 3.52 -1.03 -0.06 118.95 126.41 1s9c s ARG 266 Ca 0.36 -0.54 -0.14 0.00 -0.13 0.00 0.00 55.73 55.29 1s9c s ARG 266 Cb 0.21 -3.12 0.03 0.00 -1.56 0.00 0.00 34.95 30.51 1s9c s ARG 266 CO 0.31 -0.09 0.29 0.42 -0.81 0.00 0.00 175.30 175.41 1s9c s ILE 267 N 1.27 5.03 0.37 4.11 -1.09 -0.24 -1.54 121.20 129.11 1s9c s ILE 267 Ca 0.04 -0.80 -0.24 0.00 -2.23 0.00 0.00 60.65 57.41 1s9c s ILE 267 Cb -0.15 -3.84 -0.10 0.00 -1.58 0.00 0.00 42.46 36.79 1s9c s ILE 267 CO 0.01 -0.34 0.97 -1.00 -1.23 0.00 0.00 174.94 173.35 1s9c s HIS 268 N 1.63 3.51 0.05 3.97 3.76 0.33 -1.63 115.29 126.91 1s9c s HIS 268 Ca 0.04 1.71 -0.16 0.00 -0.15 0.00 0.00 55.06 56.50 1s9c s HIS 268 Cb -0.20 -2.94 0.03 0.00 1.11 0.00 0.00 32.58 30.57 1s9c s HIS 268 CO 0.08 -0.04 0.35 -0.59 -0.85 0.00 0.00 174.74 173.70 1s9c s PHE 269 N -1.77 -0.17 0.01 1.40 -0.71 -0.53 -0.50 117.98 115.71 1s9c s PHE 269 Ca 0.55 0.05 0.01 0.00 -1.04 0.00 0.00 56.93 56.50 1s9c s PHE 269 Cb -0.17 0.16 -0.01 0.00 -1.21 0.00 0.00 43.02 41.79 1s9c s PHE 269 CO 0.22 -0.55 -0.04 -1.14 -1.34 0.00 0.00 175.22 172.37 1s9c s GLN 270 N -2.67 0.30 -0.05 1.99 0.74 -0.22 -2.58 119.66 117.17 1s9c s GLN 270 Ca -0.04 -0.34 0.05 0.00 0.05 0.00 0.00 55.36 55.08 1s9c s GLN 270 Cb -0.00 -0.17 -0.00 0.00 1.10 0.00 0.00 33.01 33.93 1s9c s GLN 270 CO -0.04 0.04 -0.20 0.99 -0.55 0.00 0.00 175.29 175.53 1s9c s THR 271 N -0.61 1.66 0.42 -0.34 2.01 -0.06 0.18 115.64 118.90 1s9c s THR 271 Ca -0.05 -0.84 0.03 0.00 0.31 0.00 0.00 61.69 61.15 1s9c s THR 271 Cb -0.05 -1.42 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 1s9c s THR 271 CO -0.00 0.47 0.08 -0.54 -0.69 0.00 0.00 174.62 173.94 1s9c s LYS 272 N 0.02 1.96 -0.42 4.92 1.02 0.19 -0.21 119.74 127.22 1s9c s LYS 272 Ca -0.05 -2.20 0.02 0.00 0.02 0.00 0.00 55.97 53.76 1s9c s LYS 272 Cb -0.13 -0.93 0.12 0.00 -0.52 0.00 0.00 37.83 36.36 1s9c s LYS 272 CO 0.03 -0.39 0.17 0.08 -0.92 0.00 0.00 175.35 174.32 1s9c s VAL 273 N -3.11 2.67 -0.53 3.17 1.01 -0.54 -0.40 120.40 122.66 1s9c s VAL 273 Ca 0.21 -2.60 -0.26 0.00 0.00 0.00 0.00 61.98 59.33 1s9c s VAL 273 Cb 0.04 -2.89 -0.08 0.00 0.00 0.00 0.00 36.38 33.45 1s9c s VAL 273 CO 0.12 -0.69 2.42 1.67 0.00 0.00 0.00 175.10 178.62 1s9c n GLN 274 N 3.95 0.97 0.00 2.72 0.00 -0.35 -0.03 117.38 124.64 1s9c n GLN 274 Ca 0.04 -0.12 0.00 0.00 -0.00 0.00 0.00 57.00 56.92 1s9c n GLN 274 Cb 0.39 -3.47 0.00 0.00 0.00 0.00 0.00 30.24 27.16 1s9c n GLN 274 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1s9c n GLU 275 N 8.97 0.00 0.00 3.69 1.02 -1.26 -4.42 120.64 128.64 1s9c n GLU 275 Ca 0.39 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.53 1s9c n GLU 275 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.95 1s9c n GLU 275 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1s9c n THR 276 N 0.00 0.00 -0.90 2.62 -2.24 -0.25 -5.00 114.28 108.51 1s9c n THR 276 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1s9c n THR 276 Cb 0.00 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 1s9c n THR 276 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s9c n GLY 277 N 1.75 0.72 3.76 3.38 0.00 0.96 -4.98 105.19 110.78 1s9c n GLY 277 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1s9c n GLY 277 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s9c s ASP 278 N -2.66 5.79 -0.28 1.61 1.01 -1.26 -4.63 116.67 116.25 1s9c s ASP 278 Ca 0.00 2.72 -0.20 0.00 0.71 0.00 0.00 52.55 55.79 1s9c s ASP 278 Cb 0.00 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 1s9c s ASP 278 CO 0.00 -1.21 0.61 -0.63 0.21 0.00 0.00 175.17 174.14 1s9c s ILE 279 N -1.30 4.98 -0.06 0.77 1.01 -1.26 -1.47 121.20 123.87 1s9c s ILE 279 Ca 0.64 0.97 0.21 0.00 0.00 0.00 0.00 60.65 62.47 1s9c s ILE 279 Cb -0.39 -3.94 -0.32 0.00 0.01 0.00 0.00 42.46 37.82 1s9c s ILE 279 CO 0.49 -0.03 0.40 1.33 0.00 0.00 0.00 174.94 177.13 1s9c n VAL 280 N 5.27 0.25 -3.76 2.92 0.24 0.70 -2.34 118.33 121.61 1s9c n VAL 280 Ca -0.01 -0.56 -0.16 0.00 -2.04 0.00 0.00 64.34 61.56 1s9c n VAL 280 Cb 0.49 -0.08 -0.16 0.00 -1.47 0.00 0.00 33.84 32.61 1s9c n VAL 280 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1s9c s ILE 281 N -3.33 -0.05 0.22 1.34 1.01 -0.99 -0.73 121.20 118.68 1s9c s ILE 281 Ca -0.08 0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.86 1s9c s ILE 281 Cb 0.12 -0.11 -0.05 0.00 0.01 0.00 0.00 42.46 42.43 1s9c s ILE 281 CO 0.89 0.12 -0.01 -0.94 0.00 0.00 0.00 174.94 174.99 1s9c s SER 282 N 1.32 1.80 -1.71 3.58 1.04 0.39 -0.88 113.70 119.24 1s9c s SER 282 Ca -0.06 -1.20 -0.16 0.00 0.48 0.00 0.00 55.95 55.02 1s9c s SER 282 Cb -0.13 0.01 0.15 0.00 0.10 0.00 0.00 66.02 66.15 1s9c s SER 282 CO -0.03 -0.50 0.56 0.59 0.98 0.00 0.00 173.24 174.84 1s9c n ASN 283 N -0.39 -1.80 -4.98 7.02 3.02 -1.26 -1.96 115.26 114.92 1s9c n ASN 283 Ca -0.06 -1.14 -0.18 0.00 -0.03 0.00 0.00 54.58 53.18 1s9c n ASN 283 Cb 0.64 -2.20 -0.00 0.00 -0.61 0.00 0.00 39.78 37.60 1s9c n ASN 283 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1s9c s ALA 284 N -3.52 4.38 0.16 5.41 0.00 -1.07 -1.56 121.76 125.57 1s9c s ALA 284 Ca 0.58 -1.68 -0.24 0.00 0.00 0.00 0.00 51.96 50.62 1s9c s ALA 284 Cb -0.33 -1.50 0.07 0.00 0.00 0.00 0.00 23.12 21.36 1s9c s ALA 284 CO 0.97 -0.23 0.98 1.52 0.00 0.00 0.00 175.76 179.01 1s9c s TYR 285 N -2.35 -0.07 -0.16 0.00 -0.85 -0.15 -1.45 117.35 112.32 1s9c s TYR 285 Ca 0.52 -0.26 -0.08 0.00 -0.52 0.00 0.00 57.07 56.73 1s9c s TYR 285 Cb -0.09 0.66 0.06 0.00 0.38 0.00 0.00 41.96 42.98 1s9c s TYR 285 CO 0.32 -0.86 0.38 0.54 -1.52 0.00 0.00 175.55 174.41 1s9c s VAL 286 N -2.98 -0.20 -0.12 -3.49 0.11 -0.65 -1.42 120.40 111.66 1s9c s VAL 286 Ca 0.15 0.13 -0.18 0.00 -2.93 0.00 0.00 61.98 59.15 1s9c s VAL 286 Cb -0.02 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 1s9c s VAL 286 CO 0.03 0.06 0.49 -1.81 -3.33 0.00 0.00 175.10 170.53 1s9c s ASP 287 N 1.74 6.69 0.39 3.54 1.01 0.14 -1.08 116.67 129.11 1s9c s ASP 287 Ca -0.07 0.82 0.08 0.00 0.71 0.00 0.00 52.55 54.09 1s9c s ASP 287 Cb -0.10 -2.29 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 1s9c s ASP 287 CO -0.12 -0.01 0.28 -0.76 0.21 0.00 0.00 175.17 174.77 1s9c s LEU 288 N 0.65 3.33 0.00 1.23 1.43 0.91 -1.22 118.68 125.01 1s9c s LEU 288 Ca 0.26 -0.80 0.31 0.00 -1.03 0.00 0.00 54.13 52.87 1s9c s LEU 288 Cb -0.15 -1.87 1.68 0.00 0.03 0.00 0.00 46.19 45.87 1s9c s LEU 288 CO 0.10 -0.53 2.10 0.00 0.23 0.00 0.00 176.35 178.25