#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s9c n GLN 13 N 0.00 0.33 -3.51 1.61 3.00 -1.26 -4.70 117.38 112.85 1s9c n GLN 13 Ca 0.00 -1.63 -0.38 0.00 -0.01 0.00 0.00 57.00 54.98 1s9c n GLN 13 Cb 0.00 -0.33 -0.06 0.00 0.00 0.00 0.00 30.24 29.85 1s9c n GLN 13 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1s9c s LYS 14 N -3.86 3.90 0.48 -1.09 -2.85 -1.26 -2.52 119.74 112.54 1s9c s LYS 14 Ca 0.38 0.39 -0.02 0.00 -1.00 0.00 0.00 55.97 55.71 1s9c s LYS 14 Cb -0.02 -3.19 -0.01 0.00 -2.06 0.00 0.00 37.83 32.54 1s9c s LYS 14 CO 0.25 0.68 0.74 -0.51 0.10 0.00 0.00 175.35 176.61 1s9c s LEU 15 N -1.17 3.58 -0.02 2.77 1.43 -0.69 -5.00 118.68 119.58 1s9c s LEU 15 Ca 0.25 0.56 -0.35 0.00 -1.03 0.00 0.00 54.13 53.55 1s9c s LEU 15 Cb -0.16 -3.44 -0.13 0.00 0.03 0.00 0.00 46.19 42.49 1s9c s LEU 15 CO 0.14 -0.72 1.73 -2.65 0.23 0.00 0.00 176.35 175.08 1s9c n PRO 16 N -2.22 1.98 -2.29 1.29 -0.02 -1.26 -4.35 135.00 128.13 1s9c n PRO 16 Ca 0.01 0.72 -0.41 0.00 -2.02 0.00 0.00 63.50 61.81 1s9c n PRO 16 Cb 0.57 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 1s9c n PRO 16 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1s9c s PRO 17 N 2.79 4.48 0.29 0.52 0.04 -1.26 -4.77 135.00 137.08 1s9c s PRO 17 Ca 0.89 2.01 0.02 0.00 0.04 0.00 0.00 61.00 63.96 1s9c s PRO 17 Cb -0.75 -3.15 -0.06 0.00 0.04 0.00 0.00 34.50 30.58 1s9c s PRO 17 CO 0.49 -0.04 0.08 -0.59 0.04 0.00 0.00 177.00 176.97 1s9c s PHE 18 N -0.86 1.74 0.05 0.56 -0.71 -1.12 -4.96 117.98 112.68 1s9c s PHE 18 Ca 0.49 -1.07 0.07 0.00 -1.04 0.00 0.00 56.93 55.37 1s9c s PHE 18 Cb -0.36 -1.08 -0.03 0.00 -1.21 0.00 0.00 43.02 40.35 1s9c s PHE 18 CO 0.45 -0.17 -0.18 -1.54 -1.34 0.00 0.00 175.22 172.44 1s9c s SER 19 N -3.39 2.19 -0.02 1.98 1.04 -1.26 -0.24 113.70 113.99 1s9c s SER 19 Ca 0.37 -0.53 0.07 0.00 0.48 0.00 0.00 55.95 56.34 1s9c s SER 19 Cb 0.08 -0.16 -0.02 0.00 0.10 0.00 0.00 66.02 66.03 1s9c s SER 19 CO 0.14 0.10 -0.23 -0.47 0.98 0.00 0.00 173.24 173.76 1s9c s TYR 20 N -0.88 2.08 0.01 5.02 5.04 -0.57 -4.93 117.35 123.12 1s9c s TYR 20 Ca 0.05 -0.40 0.03 0.00 -2.44 0.00 0.00 57.07 54.30 1s9c s TYR 20 Cb -0.09 -1.34 -0.01 0.00 0.35 0.00 0.00 41.96 40.87 1s9c s TYR 20 CO 0.02 -0.04 -0.08 0.00 -1.34 0.00 0.00 175.55 174.10 1s9c s ALA 21 N -0.52 0.67 0.21 3.97 0.00 -1.26 -0.22 121.76 124.61 1s9c s ALA 21 Ca 0.08 -0.46 -0.14 0.00 0.00 0.00 0.00 51.96 51.44 1s9c s ALA 21 Cb -0.09 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1s9c s ALA 21 CO -0.01 0.13 0.46 1.52 0.00 0.00 0.00 175.76 177.86 1s9c s TYR 22 N -0.48 0.17 0.32 0.00 -0.85 -0.36 -4.95 117.35 111.20 1s9c s TYR 22 Ca 0.00 -0.53 0.03 0.00 -0.52 0.00 0.00 57.07 56.05 1s9c s TYR 22 Cb -0.05 0.24 -0.01 0.00 0.38 0.00 0.00 41.96 42.52 1s9c s TYR 22 CO 0.00 -0.92 0.10 0.25 -1.52 0.00 0.00 175.55 173.46 1s9c n THR 23 N -0.33 0.00 -0.00 -3.49 -2.24 -1.26 -0.52 114.28 106.43 1s9c n THR 23 Ca -0.06 -1.83 0.16 0.00 -2.27 0.00 0.00 64.05 60.05 1s9c n THR 23 Cb 0.62 0.63 0.61 0.00 -2.10 0.00 0.00 70.33 70.09 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 0.15 0.30 -0.78 3.07 -1.83 -2.68 114.58 112.81 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 0.94 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.80 1s9c h GLU 24 CO 0.40 0.10 -0.29 1.25 -1.40 0.00 0.00 179.01 179.06 1s9c h LEU 25 N 0.15 -0.81 -1.36 1.33 5.85 -1.95 0.28 115.31 118.80 1s9c h LEU 25 Ca 0.24 0.06 0.21 0.00 0.84 0.00 0.00 57.88 59.23 1s9c h LEU 25 Cb 0.73 0.27 -0.08 0.00 0.37 0.00 0.00 40.66 41.95 1s9c h LEU 25 CO -0.03 -0.39 0.62 -0.33 -0.34 0.00 0.00 178.44 177.97 1s9c h GLU 26 N -0.59 0.48 0.19 1.25 3.07 -1.88 0.20 114.58 117.30 1s9c h GLU 26 Ca -0.04 -0.03 -0.01 0.00 -0.50 0.00 0.00 59.36 58.78 1s9c h GLU 26 Cb 0.51 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.31 1s9c h GLU 26 CO -0.04 0.32 -0.09 0.00 -1.40 0.00 0.00 179.01 177.80 1s9c h ALA 27 N 1.62 -0.26 -0.83 3.43 0.00 -1.22 -1.67 119.26 120.32 1s9c h ALA 27 Ca 0.52 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1s9c h ALA 27 Cb 1.18 0.10 -0.04 0.00 0.00 0.00 0.00 17.79 19.03 1s9c h ALA 27 CO -0.25 -0.49 0.53 0.82 0.00 0.00 0.00 179.25 179.85 1s9c h ILE 28 N -0.57 1.22 -0.73 0.00 2.04 0.86 -0.63 117.51 119.70 1s9c h ILE 28 Ca -0.03 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.41 1s9c h ILE 28 Cb 0.42 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.49 1s9c h ILE 28 CO 0.04 0.22 0.48 -0.03 0.00 0.00 0.00 178.15 178.86 1s9c h MET 29 N 1.13 0.95 0.12 2.37 4.05 -0.59 -0.68 114.93 122.29 1s9c h MET 29 Ca 0.30 -0.06 -0.01 0.00 -0.28 0.00 0.00 59.70 59.66 1s9c h MET 29 Cb -0.10 -0.21 0.00 0.00 -0.80 0.00 0.00 31.60 30.49 1s9c h MET 29 CO -0.06 0.63 -0.06 -0.92 0.23 0.00 0.00 176.91 176.73 1s9c h TYR 30 N 0.98 -0.15 -0.64 1.39 3.20 -0.29 -1.56 116.97 119.89 1s9c h TYR 30 Ca 0.27 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.25 1s9c h TYR 30 Cb -0.11 0.05 -0.09 0.00 1.54 0.00 0.00 36.73 38.12 1s9c h TYR 30 CO -0.02 0.04 0.19 0.00 -1.64 0.00 0.00 178.16 176.73 1s9c h ALA 31 N 0.54 0.82 -0.02 1.82 0.00 -0.74 0.11 119.26 121.79 1s9c h ALA 31 Ca -0.02 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1s9c h ALA 31 Cb 0.26 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 1s9c h ALA 31 CO 0.03 -0.26 0.01 -0.07 0.00 0.00 0.00 179.25 178.95 1s9c h LEU 32 N 0.33 0.02 -0.24 0.00 3.38 -1.05 -1.72 115.31 116.03 1s9c h LEU 32 Ca 0.34 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1s9c h LEU 32 Cb 0.50 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1s9c h LEU 32 CO -0.39 0.20 0.00 0.61 0.09 0.00 0.00 178.44 178.96 1s9c n GLY 33 N -0.59 -0.82 0.78 0.83 0.00 -0.60 -1.82 105.19 102.98 1s9c n GLY 33 Ca -0.07 0.01 0.07 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.67 1.06 0.00 1.61 3.14 0.29 -4.54 118.33 118.22 1s9c n VAL 34 Ca 0.01 -1.03 0.00 0.00 -2.96 0.00 0.00 64.34 60.36 1s9c n VAL 34 Cb 0.10 0.47 0.00 0.00 -1.06 0.00 0.00 33.84 33.34 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 0.67 1.04 3.58 7.55 0.00 -0.75 -3.61 105.19 113.67 1s9c n GLY 35 Ca 0.14 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.03 -0.49 -3.10 4.61 0.00 -0.71 -4.98 120.51 115.80 1s9c n ALA 36 Ca 0.00 0.41 -0.13 0.00 0.00 0.00 0.00 53.44 53.73 1s9c n ALA 36 Cb 0.00 -2.00 -0.13 0.00 0.00 0.00 0.00 19.45 17.31 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 -0.41 -0.09 0.00 0.00 0.15 -1.26 -4.57 113.70 107.53 1s9c s SER 37 Ca 0.63 0.19 0.12 0.00 0.70 0.00 0.00 55.95 57.59 1s9c s SER 37 Cb -0.75 0.17 0.74 0.00 -1.71 0.00 0.00 66.02 64.46 1s9c s SER 37 CO 0.57 -0.05 1.22 2.30 1.20 0.00 0.00 173.24 178.48 1s9c n ILE 38 N 3.23 0.00 0.23 6.45 -5.35 -1.26 -2.17 119.36 120.49 1s9c n ILE 38 Ca -0.15 0.00 0.09 0.00 -0.27 0.00 0.00 62.75 62.42 1s9c n ILE 38 Cb 0.58 -0.49 0.55 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 -4.72 6.28 3.64 -1.99 -3.37 116.57 116.41 1s9c h LYS 39 Ca 0.00 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.69 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 0.23 -0.57 0.34 -2.27 0.00 0.00 179.45 177.18 1s9c s ASP 40 N -6.42 5.47 0.37 4.20 -1.08 -0.92 -4.98 116.67 113.31 1s9c s ASP 40 Ca -0.02 -0.77 0.15 0.00 -0.52 0.00 0.00 52.55 51.39 1s9c s ASP 40 Cb 0.13 -1.96 1.01 0.00 -1.46 0.00 0.00 42.92 40.64 1s9c s ASP 40 CO 0.64 -0.26 1.77 -0.65 0.52 0.00 0.00 175.17 177.19 1s9c h PRO 41 N 8.33 0.47 0.00 4.34 0.11 -1.85 0.12 132.00 143.53 1s9c h PRO 41 Ca -0.29 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 1s9c h PRO 41 Cb 1.12 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1s9c h PRO 41 CO 0.63 0.31 -0.02 0.87 -0.21 0.00 0.00 178.00 179.57 1s9c h LYS 42 N 0.48 0.00 0.00 1.05 1.57 -1.93 -1.73 116.57 116.00 1s9c h LYS 42 Ca 0.59 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.37 1s9c h LYS 42 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 1s9c h LYS 42 CO -0.33 0.02 -0.03 -0.25 -0.57 0.00 0.00 179.45 178.28 1s9c n ASP 43 N -3.25 0.43 0.17 0.86 8.00 0.44 -3.30 116.55 119.89 1s9c n ASP 43 Ca -0.02 0.50 0.18 0.00 0.71 0.00 0.00 54.79 56.16 1s9c n ASP 43 Cb 0.15 -0.60 0.80 0.00 -0.02 0.00 0.00 41.12 41.45 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 -2.15 0.64 5.85 -1.40 0.77 115.31 119.02 1s9c h LEU 44 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1s9c h LEU 44 Cb 0.62 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.65 1s9c h LEU 44 CO 0.00 0.00 0.02 0.50 -0.34 0.00 0.00 178.44 178.62 1s9c h LYS 45 N 0.00 0.00 0.00 1.25 3.64 -1.76 -0.92 116.57 118.78 1s9c h LYS 45 Ca 0.12 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1s9c h LYS 45 Cb 0.66 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1s9c h LYS 45 CO -0.00 0.00 -0.64 1.19 -2.27 0.00 0.00 179.45 177.73 1s9c n PHE 46 N -4.31 0.00 -0.05 1.91 3.72 0.24 -1.45 117.46 117.52 1s9c n PHE 46 Ca -0.03 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.35 1s9c n PHE 46 Cb 0.11 -0.01 -0.11 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 -1.32 0.65 -3.85 4.37 5.41 -1.04 -4.44 119.36 119.15 1s9c n ILE 47 Ca 0.02 -0.52 -0.36 0.00 1.00 0.00 0.00 62.75 62.89 1s9c n ILE 47 Cb 0.21 -0.37 -0.13 0.00 -0.71 0.00 0.00 39.64 38.63 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 -2.58 3.14 0.48 1.39 5.04 -0.38 -4.93 117.35 119.52 1s9c s TYR 48 Ca -0.07 -1.32 0.24 0.00 -2.44 0.00 0.00 57.07 53.49 1s9c s TYR 48 Cb 0.06 -2.17 1.44 0.00 0.35 0.00 0.00 41.96 41.64 1s9c s TYR 48 CO 0.60 -0.67 2.11 1.05 -1.34 0.00 0.00 175.55 177.30 1s9c h GLU 49 N 8.13 0.00 0.00 4.97 9.09 -1.92 -1.77 114.58 133.08 1s9c h GLU 49 Ca -0.30 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.11 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 0.59 0.09 -0.00 0.78 0.05 0.00 0.00 179.01 180.52 1s9c h GLY 50 N 0.48 0.00 -4.53 1.06 0.00 -1.94 -3.45 103.07 94.70 1s9c h GLY 50 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1s9c h GLY 50 CO 0.01 0.00 0.80 -1.26 0.00 0.00 0.00 176.54 176.09 1s9c n SER 51 N -3.09 3.42 0.29 0.19 2.88 -0.67 -4.82 113.62 111.82 1s9c n SER 51 Ca 0.01 1.13 0.18 0.00 -1.33 0.00 0.00 58.87 58.86 1s9c n SER 51 Cb 0.32 -1.52 0.81 0.00 -0.75 0.00 0.00 64.21 63.07 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 4.91 0.00 0.38 -3.46 4.64 -1.89 -1.67 113.55 116.46 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 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1s9c h SER 52 CO 0.81 0.02 -0.58 -0.67 -0.87 0.00 0.00 176.83 175.53 1s9c n ASP 53 N -3.13 0.66 -3.34 4.97 -0.08 -1.26 -5.00 116.55 109.37 1s9c n ASP 53 Ca -0.00 -0.46 -0.47 0.00 -1.51 0.00 0.00 54.79 52.35 1s9c n ASP 53 Cb 0.25 0.39 -0.07 0.00 2.34 0.00 0.00 41.12 44.03 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 -1.42 1.01 -4.14 -0.67 7.35 -0.63 -4.93 117.46 114.03 1s9c n PHE 54 Ca 0.06 0.80 -0.09 0.00 -0.76 0.00 0.00 57.45 57.46 1s9c n PHE 54 Cb 0.34 -1.56 -0.10 0.00 0.35 0.00 0.00 39.48 38.50 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 1.48 0.92 -0.08 -2.13 0.01 -0.53 -4.99 113.70 108.38 1s9c s SER 55 Ca 0.72 -1.00 -0.11 0.00 1.31 0.00 0.00 55.95 56.87 1s9c s SER 55 Cb -1.02 0.13 -0.05 0.00 0.21 0.00 0.00 66.02 65.29 1s9c s SER 55 CO 0.53 -0.51 0.27 0.00 0.41 0.00 0.00 173.24 173.94 1s9c s LEU 57 N -0.86 4.40 0.21 0.00 1.43 -1.26 -4.86 118.68 117.75 1s9c s LEU 57 Ca 0.19 2.57 -0.14 0.00 -1.03 0.00 0.00 54.13 55.72 1s9c s LEU 57 Cb -0.14 -3.62 0.24 0.00 0.03 0.00 0.00 46.19 42.70 1s9c s LEU 57 CO 0.08 -0.62 1.61 -0.65 0.23 0.00 0.00 176.35 177.00 1s9c h PRO 58 N 4.95 -0.03 0.00 1.29 0.11 -1.96 0.24 132.00 136.59 1s9c h PRO 58 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 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 0.76 -0.02 0.00 0.25 -0.21 0.00 0.00 178.00 178.78 1s9c n THR 59 N -5.46 0.00 0.30 -1.15 -2.24 -1.26 -1.87 114.28 102.60 1s9c n THR 59 Ca 0.08 0.00 0.19 0.00 -2.27 0.00 0.00 64.05 62.05 1s9c n THR 59 Cb 0.35 -0.89 0.90 0.00 -2.10 0.00 0.00 70.33 68.60 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 -1.31 -0.93 116.94 123.05 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 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1s9c h PHE 60 CO 0.00 0.02 -0.05 0.78 -2.23 0.00 0.00 178.31 176.83 1s9c h GLY 61 N 1.12 0.00 1.79 2.40 0.00 -1.57 -0.07 103.07 106.74 1s9c h GLY 61 Ca -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 1s9c h GLY 61 CO 0.00 0.00 -0.25 -2.08 0.00 0.00 0.00 176.54 174.22 1s9c h VAL 62 N 0.00 1.24 0.01 4.60 2.07 -1.41 -2.43 116.25 120.32 1s9c h VAL 62 Ca -0.00 -1.10 -0.20 0.00 0.82 0.00 0.00 66.70 66.21 1s9c h VAL 62 Cb 0.18 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1s9c h VAL 62 CO 0.01 0.34 -0.90 0.40 0.02 0.00 0.00 177.57 177.43 1s9c h ILE 63 N 0.23 1.50 -0.28 4.57 2.04 -1.16 -2.21 117.51 122.20 1s9c h ILE 63 Ca 0.04 -2.66 -0.01 0.00 1.00 0.00 0.00 64.86 63.23 1s9c h ILE 63 Cb 0.56 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 1s9c h ILE 63 CO 0.04 0.78 0.13 0.40 0.00 0.00 0.00 178.15 179.50 1s9c h ILE 64 N 0.11 1.15 -0.02 -0.67 2.04 -1.12 -2.93 117.51 116.07 1s9c h ILE 64 Ca -0.05 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.39 1s9c h ILE 64 Cb 1.54 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 38.54 1s9c h ILE 64 CO 0.14 0.15 -0.02 0.61 0.00 0.00 0.00 178.15 179.03 1s9c n GLY 65 N -0.85 0.01 0.08 5.37 0.00 -0.99 -3.85 105.19 104.95 1s9c n GLY 65 Ca -0.02 -0.45 -0.05 0.00 0.00 0.00 0.00 46.02 45.49 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 2.39 0.00 -1.26 1.61 4.15 -1.21 -3.38 115.11 117.41 1s9c h GLN 66 Ca 0.00 0.00 0.37 0.00 0.77 0.00 0.00 58.65 59.79 1s9c h GLN 66 Cb 0.52 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.16 1s9c h GLN 66 CO 0.00 0.85 1.25 1.17 -1.93 0.00 0.00 178.83 180.17 1s9c n LYS 67 N -3.29 0.01 -0.02 1.69 0.00 -1.20 -2.05 118.16 113.29 1s9c n LYS 67 Ca -0.01 1.01 -0.21 0.00 0.00 0.00 0.00 58.31 59.10 1s9c n LYS 67 Cb 0.91 -2.47 -0.13 0.00 0.00 0.00 0.00 35.03 33.33 1s9c n LYS 67 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1s9c h SER 68 N 0.00 0.28 0.00 3.14 0.87 -1.88 -3.33 113.55 112.63 1s9c h SER 68 Ca 0.60 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 60.35 1s9c h SER 68 Cb 3.09 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 64.96 1s9c h SER 68 CO -0.01 1.56 0.00 0.23 -0.53 0.00 0.00 176.83 178.08 1s9c n MET 69 N -4.05 0.25 -2.03 2.24 2.81 -0.87 -5.10 117.12 110.37 1s9c n MET 69 Ca -0.25 0.00 -0.38 0.00 -1.81 0.00 0.00 57.70 55.25 1s9c n MET 69 Cb 0.83 -1.00 0.03 0.00 -0.71 0.00 0.00 33.22 32.37 1s9c n MET 69 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1s9c n MET 70 N -0.47 2.99 -0.38 0.03 2.81 -1.25 -4.58 117.12 116.26 1s9c n MET 70 Ca 0.00 -3.71 -0.31 0.00 -1.81 0.00 0.00 57.70 51.87 1s9c n MET 70 Cb 0.00 -2.28 0.29 0.00 -0.71 0.00 0.00 33.22 30.52 1s9c n MET 70 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1s9c n ASN 83 N -0.50 -3.83 0.00 7.83 3.02 -1.26 -4.98 115.26 115.54 1s9c n ASN 83 Ca 0.52 -0.95 0.00 0.00 -0.03 0.00 0.00 54.58 54.12 1s9c n ASN 83 Cb 0.28 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.44 1s9c n ASN 83 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1s9c n PHE 84 N -5.70 0.00 -0.07 3.10 3.01 -1.26 -4.79 117.46 111.75 1s9c n PHE 84 Ca 0.14 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.49 1s9c n PHE 84 Cb 0.61 0.01 -0.15 0.00 -0.01 0.00 0.00 39.48 39.93 1s9c n PHE 84 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1s9c n ALA 85 N 0.00 1.45 -0.63 4.37 0.00 -1.26 -4.23 120.51 120.21 1s9c n ALA 85 Ca 0.00 -1.08 -0.14 0.00 0.00 0.00 0.00 53.44 52.22 1s9c n ALA 85 Cb 0.08 -0.42 0.05 0.00 0.00 0.00 0.00 19.45 19.15 1s9c n ALA 85 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1s9c n LYS 86 N -2.95 1.69 -4.40 0.00 5.02 -1.26 -4.88 118.16 111.38 1s9c n LYS 86 Ca -0.29 -1.41 -0.22 0.00 -2.02 0.00 0.00 58.31 54.36 1s9c n LYS 86 Cb 1.10 -1.55 -0.13 0.00 -0.02 0.00 0.00 35.03 34.42 1s9c n LYS 86 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1s9c s VAL 87 N -1.94 1.41 -0.17 -0.18 1.01 -1.26 -4.49 120.40 114.77 1s9c s VAL 87 Ca 0.28 -1.22 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 1s9c s VAL 87 Cb 0.22 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1s9c s VAL 87 CO 0.01 0.02 0.05 -0.76 0.00 0.00 0.00 175.10 174.41 1s9c s LEU 88 N -1.40 3.74 -0.53 3.92 1.43 -0.89 -4.91 118.68 120.03 1s9c s LEU 88 Ca 0.04 0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 53.01 1s9c s LEU 88 Cb -0.09 -1.93 0.06 0.00 0.03 0.00 0.00 46.19 44.26 1s9c s LEU 88 CO 0.02 0.20 0.73 -2.28 0.23 0.00 0.00 176.35 175.25 1s9c s HIS 89 N 0.20 2.96 -0.10 0.29 2.46 -1.26 -1.53 115.29 118.29 1s9c s HIS 89 Ca 0.03 -0.45 -0.15 0.00 0.47 0.00 0.00 55.06 54.97 1s9c s HIS 89 Cb -0.12 -3.76 -0.27 0.00 -0.13 0.00 0.00 32.58 28.30 1s9c s HIS 89 CO 0.01 -1.17 0.53 0.78 -2.47 0.00 0.00 174.74 172.42 1s9c h GLY 90 N 10.14 0.28 -2.65 1.59 0.00 -1.71 -3.43 103.07 107.29 1s9c h GLY 90 Ca -0.27 -0.73 -0.22 0.00 0.00 0.00 0.00 47.33 46.11 1s9c h GLY 90 CO 1.02 0.63 -0.62 -0.54 0.00 0.00 0.00 176.54 177.04 1s9c s GLU 91 N -2.49 1.14 -0.06 4.80 2.02 -1.23 -0.58 118.70 122.30 1s9c s GLU 91 Ca -0.20 -1.58 -0.10 0.00 0.02 0.00 0.00 54.97 53.10 1s9c s GLU 91 Cb 0.05 0.27 0.02 0.00 0.10 0.00 0.00 34.13 34.57 1s9c s GLU 91 CO 0.77 -0.36 0.26 -1.14 0.02 0.00 0.00 175.26 174.80 1s9c s GLN 92 N -4.13 0.43 -0.05 1.61 2.00 0.05 -2.89 119.66 116.67 1s9c s GLN 92 Ca 0.35 0.11 -0.03 0.00 -2.00 0.00 0.00 55.36 53.80 1s9c s GLN 92 Cb 0.07 0.20 0.03 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 0.00 175.29 174.45 1s9c s TYR 93 N -0.46 -0.13 -0.01 1.67 6.14 -1.05 -1.24 117.35 122.26 1s9c s TYR 93 Ca -0.06 0.39 0.01 0.00 0.64 0.00 0.00 57.07 58.05 1s9c s TYR 93 Cb -0.04 -0.06 0.01 0.00 0.42 0.00 0.00 41.96 42.29 1s9c s TYR 93 CO 0.01 -0.12 -0.03 -1.17 0.64 0.00 0.00 175.55 174.88 1s9c s LEU 94 N 0.81 1.74 -0.04 6.97 2.96 -0.41 -0.61 118.68 130.11 1s9c s LEU 94 Ca -0.06 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1s9c s LEU 94 Cb -0.08 -0.23 0.01 0.00 0.50 0.00 0.00 46.19 46.39 1s9c s LEU 94 CO -0.04 0.00 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.22 1s9c s GLU 95 N 0.27 0.96 -0.42 1.98 2.12 -0.36 -1.01 118.70 122.23 1s9c s GLU 95 Ca -0.03 -0.22 -0.08 0.00 0.36 0.00 0.00 54.97 55.00 1s9c s GLU 95 Cb -0.06 -0.90 0.09 0.00 0.26 0.00 0.00 34.13 33.52 1s9c s GLU 95 CO -0.00 0.02 0.25 -0.51 -0.54 0.00 0.00 175.26 174.48 1s9c s LEU 96 N 0.54 5.19 0.52 2.70 1.43 0.31 -0.78 118.68 128.58 1s9c s LEU 96 Ca -0.08 -1.62 0.30 0.00 -1.03 0.00 0.00 54.13 51.70 1s9c s LEU 96 Cb -0.12 -1.96 1.21 0.00 0.03 0.00 0.00 46.19 45.35 1s9c s LEU 96 CO 0.01 -0.55 1.93 1.88 0.23 0.00 0.00 176.35 179.85 1s9c h TYR 97 N 8.35 0.00 -2.43 0.29 -1.99 -1.11 -3.44 116.97 116.64 1s9c h TYR 97 Ca -0.21 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.43 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 0.06 -0.05 0.15 -0.00 0.00 0.00 178.16 178.93 1s9c s LYS 98 N -3.66 0.73 0.20 4.88 1.02 -0.88 -4.99 119.74 117.04 1s9c s LYS 98 Ca 0.01 0.51 -0.32 0.00 0.02 0.00 0.00 55.97 56.19 1s9c s LYS 98 Cb 0.09 0.35 -0.14 0.00 -0.52 0.00 0.00 37.83 37.60 1s9c s LYS 98 CO 0.57 -0.14 1.32 -2.30 -0.92 0.00 0.00 175.35 173.88 1s9c n PRO 99 N 2.18 1.67 -2.21 -1.68 -0.02 -1.26 -4.75 135.00 128.93 1s9c n PRO 99 Ca -0.16 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 1s9c n PRO 99 Cb 0.56 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.82 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 0.38 4.39 0.76 2.45 1.43 -1.26 -4.99 118.68 121.84 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 -0.74 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 41.94 1s9c s LEU 100 CO 0.50 -0.59 1.16 -2.16 0.23 0.00 0.00 176.35 175.49 1s9c s PRO 101 N 0.65 2.05 0.00 1.29 0.04 -1.26 -4.51 135.00 133.26 1s9c s PRO 101 Ca 0.61 1.55 0.14 0.00 0.04 0.00 0.00 61.00 63.34 1s9c s PRO 101 Cb -0.36 -1.84 0.79 0.00 0.04 0.00 0.00 34.50 33.13 1s9c s PRO 101 CO 0.33 -1.86 1.25 2.89 0.04 0.00 0.00 177.00 179.65 1s9c n ARG 102 N -3.10 0.39 0.00 4.56 1.85 -1.26 -4.78 116.66 114.31 1s9c n ARG 102 Ca 0.12 0.02 0.00 0.00 -1.00 0.00 0.00 57.85 56.99 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 -1.04 0.00 0.00 2.89 0.00 -1.26 -2.11 120.51 118.99 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 -0.16 1.52 3.47 0.00 0.00 0.32 -4.92 105.19 105.42 1s9c n GLY 104 Ca 0.00 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 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 -1.62 2.15 0.01 1.61 1.02 -1.26 -1.22 119.74 120.44 1s9c s LYS 105 Ca 0.00 -0.93 -0.01 0.00 0.02 0.00 0.00 55.97 55.05 1s9c s LYS 105 Cb 0.00 -2.23 -0.01 0.00 -0.52 0.00 0.00 37.83 35.07 1s9c s LYS 105 CO 0.00 0.55 -0.01 -0.51 -0.92 0.00 0.00 175.35 174.47 1s9c s LEU 106 N -1.36 2.13 -0.17 3.17 1.43 0.69 -4.56 118.68 120.01 1s9c s LEU 106 Ca 0.14 -0.40 -0.06 0.00 -1.03 0.00 0.00 54.13 52.79 1s9c s LEU 106 Cb -0.11 0.16 -0.03 0.00 0.03 0.00 0.00 46.19 46.24 1s9c s LEU 106 CO 0.05 -0.27 0.01 -0.75 0.23 0.00 0.00 176.35 175.62 1s9c s LYS 107 N -1.26 3.83 0.08 1.70 2.20 -0.93 -1.50 119.74 123.85 1s9c s LYS 107 Ca -0.14 -0.43 0.08 0.00 -0.36 0.00 0.00 55.97 55.13 1s9c s LYS 107 Cb -0.08 -3.06 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 1s9c s LYS 107 CO -0.01 0.26 -0.20 0.00 -0.36 0.00 0.00 175.35 175.05 1s9c s GLU 109 N -1.75 0.58 0.15 0.00 2.02 -0.96 -2.80 118.70 115.94 1s9c s GLU 109 Ca 0.16 0.09 -0.02 0.00 0.02 0.00 0.00 54.97 55.22 1s9c s GLU 109 Cb -0.10 -1.03 -0.05 0.00 0.10 0.00 0.00 34.13 33.05 1s9c s GLU 109 CO 0.07 -0.33 0.34 0.00 0.02 0.00 0.00 175.26 175.37 1s9c s ALA 110 N 1.98 3.86 -0.14 5.21 0.00 -1.26 -2.29 121.76 129.12 1s9c s ALA 110 Ca 0.05 -0.77 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 1s9c s ALA 110 Cb -0.13 -1.99 0.06 0.00 0.00 0.00 0.00 23.12 21.07 1s9c s ALA 110 CO -0.05 0.59 0.30 0.08 0.00 0.00 0.00 175.76 176.68 1s9c s VAL 111 N -1.73 -0.32 -1.16 0.00 1.01 0.61 -1.70 120.40 117.11 1s9c s VAL 111 Ca 0.38 0.21 -0.23 0.00 0.00 0.00 0.00 61.98 62.34 1s9c s VAL 111 Cb -0.12 -0.48 -0.11 0.00 0.00 0.00 0.00 36.38 35.67 1s9c s VAL 111 CO 0.27 0.09 1.95 0.52 0.00 0.00 0.00 175.10 177.93 1s9c n VAL 112 N 4.96 1.76 0.07 2.92 0.31 -1.05 -1.46 118.33 125.84 1s9c n VAL 112 Ca -0.13 -1.82 0.21 0.00 -0.01 0.00 0.00 64.34 62.59 1s9c n VAL 112 Cb 0.51 -2.16 0.72 0.00 -0.91 0.00 0.00 33.84 32.00 1s9c n VAL 112 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s9c h ALA 113 N 9.77 2.17 -1.25 3.52 0.00 -1.30 -3.32 119.26 128.86 1s9c h ALA 113 Ca 0.21 -0.02 0.34 0.00 0.00 0.00 0.00 54.91 55.44 1s9c h ALA 113 Cb 0.93 0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.60 1s9c h ALA 113 CO 1.24 -0.76 0.90 0.34 0.00 0.00 0.00 179.25 180.98 1s9c s ASP 114 N -5.05 -0.04 0.01 0.00 -1.08 -1.00 -4.78 116.67 104.72 1s9c s ASP 114 Ca -0.04 -0.05 0.00 0.00 -0.52 0.00 0.00 52.55 51.94 1s9c s ASP 114 Cb 0.15 0.08 -0.01 0.00 -1.46 0.00 0.00 42.92 41.69 1s9c s ASP 114 CO 0.53 -0.15 -0.02 -0.69 0.52 0.00 0.00 175.17 175.35 1s9c s VAL 115 N -2.23 0.14 0.05 1.11 1.01 -1.26 -1.11 120.40 118.11 1s9c s VAL 115 Ca 0.13 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.81 1s9c s VAL 115 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 1s9c s VAL 115 CO -0.05 -0.13 -0.12 -0.76 0.00 0.00 0.00 175.10 174.05 1s9c s LEU 116 N -0.50 2.22 -0.16 3.92 1.02 0.89 -4.94 118.68 121.13 1s9c s LEU 116 Ca -0.04 -0.52 -0.07 0.00 0.02 0.00 0.00 54.13 53.52 1s9c s LEU 116 Cb -0.04 -0.42 -0.04 0.00 0.02 0.00 0.00 46.19 45.71 1s9c s LEU 116 CO -0.00 -0.07 0.09 -0.62 0.02 0.00 0.00 176.35 175.77 1s9c s ASP 117 N -1.41 5.93 -0.40 2.29 -1.08 -1.26 0.91 116.67 121.65 1s9c s ASP 117 Ca -0.03 0.23 0.12 0.00 -0.52 0.00 0.00 52.55 52.35 1s9c s ASP 117 Cb -0.09 -1.96 0.41 0.00 -1.46 0.00 0.00 42.92 39.82 1s9c s ASP 117 CO 0.01 0.27 0.94 0.29 0.52 0.00 0.00 175.17 177.20 1s9c n LYS 118 N 2.91 1.97 0.00 4.34 4.76 -0.76 -4.94 118.16 126.44 1s9c n LYS 118 Ca -0.18 -3.83 0.00 0.00 -2.87 0.00 0.00 58.31 51.44 1s9c n LYS 118 Cb 0.53 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1s9c n LYS 118 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s9c n GLY 119 N -0.11 0.33 0.00 0.72 0.00 -1.26 -3.75 105.19 101.12 1s9c n GLY 119 Ca 0.23 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.89 1s9c n GLY 119 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1s9c n SER 120 N 6.55 0.00 -3.25 1.61 2.88 -1.26 -4.36 113.62 115.79 1s9c n SER 120 Ca 0.00 0.43 -0.08 0.00 -1.33 0.00 0.00 58.87 57.88 1s9c n SER 120 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 1s9c n SER 120 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1s9c n GLY 121 N -0.66 2.02 3.53 0.46 0.00 -1.25 -3.89 105.19 105.40 1s9c n GLY 121 Ca 0.00 -2.18 -0.27 0.00 0.00 0.00 0.00 46.02 43.58 1s9c n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s9c s VAL 122 N -0.58 2.95 -0.11 1.61 0.11 -0.36 -1.83 120.40 122.19 1s9c s VAL 122 Ca 0.25 -1.75 -0.03 0.00 -2.93 0.00 0.00 61.98 57.52 1s9c s VAL 122 Cb -0.02 -2.45 -0.03 0.00 -1.53 0.00 0.00 36.38 32.35 1s9c s VAL 122 CO 0.16 -0.10 0.01 -0.69 -3.33 0.00 0.00 175.10 171.15 1s9c s VAL 123 N -1.67 4.40 -0.20 2.04 1.01 0.26 -0.06 120.40 126.18 1s9c s VAL 123 Ca 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.00 1s9c s VAL 123 Cb -0.09 -2.88 0.06 0.00 0.00 0.00 0.00 36.38 33.47 1s9c s VAL 123 CO 0.14 0.58 -0.01 -0.51 0.00 0.00 0.00 175.10 175.29 1s9c s ILE 124 N -0.60 1.00 -0.44 2.22 2.07 -0.83 -0.08 121.20 124.54 1s9c s ILE 124 Ca 0.10 -0.80 -0.20 0.00 -1.41 0.00 0.00 60.65 58.33 1s9c s ILE 124 Cb -0.12 -1.35 0.03 0.00 0.13 0.00 0.00 42.46 41.14 1s9c s ILE 124 CO 0.02 -0.10 0.63 -0.63 -1.91 0.00 0.00 174.94 172.96 1s9c s ILE 125 N 1.65 4.84 -0.30 2.00 1.01 -0.26 -1.54 121.20 128.59 1s9c s ILE 125 Ca -0.02 0.04 -0.03 0.00 0.00 0.00 0.00 60.65 60.64 1s9c s ILE 125 Cb -0.17 -4.20 0.04 0.00 0.01 0.00 0.00 42.46 38.14 1s9c s ILE 125 CO -0.07 -0.60 0.02 -0.32 0.00 0.00 0.00 174.94 173.96 1s9c s MET 126 N 2.77 2.57 0.24 2.79 1.75 -0.65 -0.81 119.30 127.96 1s9c s MET 126 Ca 0.21 -1.18 -0.22 0.00 -1.25 0.00 0.00 55.69 53.25 1s9c s MET 126 Cb -0.15 -3.22 -0.09 0.00 2.84 0.00 0.00 34.83 34.22 1s9c s MET 126 CO 0.18 -0.59 0.79 -0.51 -0.65 0.00 0.00 175.02 174.24 1s9c s ASP 127 N 1.31 7.16 -0.09 1.11 1.01 -0.54 -1.87 116.67 124.77 1s9c s ASP 127 Ca -0.03 1.55 -0.04 0.00 0.71 0.00 0.00 52.55 54.74 1s9c s ASP 127 Cb -0.19 -2.47 0.05 0.00 1.01 0.00 0.00 42.92 41.32 1s9c s ASP 127 CO -0.00 0.03 0.18 0.54 0.21 0.00 0.00 175.17 176.12 1s9c s VAL 128 N -1.51 -0.28 -0.12 -1.27 0.11 0.84 -0.29 120.40 117.88 1s9c s VAL 128 Ca 0.44 0.34 -0.05 0.00 -2.93 0.00 0.00 61.98 59.78 1s9c s VAL 128 Cb -0.18 -0.32 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1s9c s VAL 128 CO 0.22 0.14 0.08 -0.31 -3.33 0.00 0.00 175.10 171.90 1s9c s TYR 129 N 2.31 3.38 -0.17 1.54 1.51 -0.97 -0.59 117.35 124.36 1s9c s TYR 129 Ca 0.03 0.33 0.01 0.00 -1.01 0.00 0.00 57.07 56.42 1s9c s TYR 129 Cb -0.12 -1.91 0.01 0.00 -0.11 0.00 0.00 41.96 39.83 1s9c s TYR 129 CO -0.06 0.53 -0.19 -1.12 -1.11 0.00 0.00 175.55 173.60 1s9c s SER 130 N -0.71 3.30 0.16 2.29 0.01 0.06 -2.26 113.70 116.55 1s9c s SER 130 Ca 0.12 -0.58 0.08 0.00 1.31 0.00 0.00 55.95 56.88 1s9c s SER 130 Cb -0.12 -1.50 -0.04 0.00 0.21 0.00 0.00 66.02 64.57 1s9c s SER 130 CO 0.03 0.04 -0.05 -0.31 0.41 0.00 0.00 173.24 173.36 1s9c s TYR 131 N 1.06 2.76 0.00 2.43 1.51 -0.89 0.15 117.35 124.37 1s9c s TYR 131 Ca -0.01 -0.17 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 1s9c s TYR 131 Cb -0.14 -1.36 0.00 0.00 -0.11 0.00 0.00 41.96 40.35 1s9c s TYR 131 CO -0.06 0.50 0.00 -1.13 -1.11 0.00 0.00 175.55 173.75 1s9c n SER 132 N 0.08 0.00 0.00 2.29 3.41 0.30 -2.19 113.62 117.51 1s9c n SER 132 Ca -0.11 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1s9c n SER 132 Cb 0.55 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1s9c n SER 132 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1s9c n GLU 133 N -1.22 0.00 -0.10 4.33 -0.58 -1.26 -4.53 120.64 117.28 1s9c n GLU 133 Ca 0.00 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 1s9c n GLU 133 Cb 0.00 -0.06 0.05 0.00 -0.57 0.00 0.00 31.44 30.86 1s9c n GLU 133 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1s9c n LYS 134 N -0.33 1.53 -4.35 3.49 4.76 -1.26 -4.92 118.16 117.08 1s9c n LYS 134 Ca 0.00 -1.70 -0.34 0.00 -2.87 0.00 0.00 58.31 53.40 1s9c n LYS 134 Cb 0.00 -1.05 -0.11 0.00 -1.84 0.00 0.00 35.03 32.03 1s9c n LYS 134 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 1s9c s GLU 135 N -1.43 3.38 -0.04 1.97 2.12 -1.26 -5.08 118.70 118.35 1s9c s GLU 135 Ca 0.12 -0.45 -0.30 0.00 0.36 0.00 0.00 54.97 54.70 1s9c s GLU 135 Cb 0.11 -2.88 -0.04 0.00 0.26 0.00 0.00 34.13 31.57 1s9c s GLU 135 CO 0.01 0.46 1.25 -1.17 -0.54 0.00 0.00 175.26 175.27 1s9c s LEU 136 N -0.21 4.29 -0.19 2.70 2.96 -1.26 -0.54 118.68 126.42 1s9c s LEU 136 Ca 0.05 1.89 -0.10 0.00 -0.22 0.00 0.00 54.13 55.75 1s9c s LEU 136 Cb -0.13 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.92 1s9c s LEU 136 CO 0.02 -0.62 -0.25 -0.38 -1.32 0.00 0.00 176.35 173.80 1s9c n ILE 137 N 4.63 1.08 -3.98 6.68 5.41 0.12 -4.49 119.36 128.82 1s9c n ILE 137 Ca 0.12 -0.25 -0.08 0.00 1.00 0.00 0.00 62.75 63.54 1s9c n ILE 137 Cb 0.45 -1.78 -0.09 0.00 -0.71 0.00 0.00 39.64 37.51 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 -3.48 1.31 -0.04 0.00 2.46 0.04 -0.77 115.29 114.81 1s9c s HIS 139 Ca 0.03 -0.50 0.05 0.00 0.47 0.00 0.00 55.06 55.11 1s9c s HIS 139 Cb 0.04 -1.01 -0.02 0.00 -0.13 0.00 0.00 32.58 31.45 1s9c s HIS 139 CO -0.09 -0.30 -0.18 -0.80 -2.47 0.00 0.00 174.74 170.90 1s9c s ASN 140 N 0.91 3.70 -0.35 9.88 0.01 0.24 -1.23 114.94 128.10 1s9c s ASN 140 Ca -0.10 -0.29 0.01 0.00 -0.71 0.00 0.00 52.86 51.76 1s9c s ASN 140 Cb -0.15 -0.67 0.11 0.00 0.41 0.00 0.00 41.25 40.95 1s9c s ASN 140 CO 0.01 0.34 0.13 -1.58 -1.51 0.00 0.00 177.10 174.48 1s9c s GLN 141 N -0.71 1.03 -0.12 -0.60 0.74 0.22 -0.11 119.66 120.12 1s9c s GLN 141 Ca 0.11 -1.50 -0.26 0.00 0.05 0.00 0.00 55.36 53.76 1s9c s GLN 141 Cb -0.10 -2.34 -0.02 0.00 1.10 0.00 0.00 33.01 31.65 1s9c s GLN 141 CO 0.00 -1.03 0.86 -0.06 -0.55 0.00 0.00 175.29 174.51 1s9c s PHE 142 N 1.11 3.49 -0.42 1.67 0.40 -0.78 -2.54 117.98 120.91 1s9c s PHE 142 Ca 0.12 1.37 -0.13 0.00 -0.60 0.00 0.00 56.93 57.69 1s9c s PHE 142 Cb -0.20 -3.02 0.06 0.00 0.51 0.00 0.00 43.02 40.37 1s9c s PHE 142 CO -0.15 -0.15 0.30 0.45 0.70 0.00 0.00 175.22 176.37 1s9c s SER 143 N 1.06 5.90 0.54 1.36 0.15 -1.14 -1.64 113.70 119.93 1s9c s SER 143 Ca 0.42 -1.24 0.07 0.00 0.70 0.00 0.00 55.95 55.90 1s9c s SER 143 Cb -0.18 -2.09 0.05 0.00 -1.71 0.00 0.00 66.02 62.10 1s9c s SER 143 CO 0.16 -0.53 0.53 -0.76 1.20 0.00 0.00 173.24 173.85 1s9c s LEU 144 N 1.56 2.90 -0.20 3.45 1.43 -0.59 -1.92 118.68 125.32 1s9c s LEU 144 Ca 0.03 -1.06 -0.05 0.00 -1.03 0.00 0.00 54.13 52.02 1s9c s LEU 144 Cb -0.22 -1.43 0.10 0.00 0.03 0.00 0.00 46.19 44.67 1s9c s LEU 144 CO 0.06 -1.14 0.35 0.12 0.23 0.00 0.00 176.35 175.96 1s9c s PHE 145 N -2.71 -0.66 -0.30 0.29 2.19 -0.58 -1.97 117.98 114.24 1s9c s PHE 145 Ca 0.45 1.01 -0.18 0.00 0.33 0.00 0.00 56.93 58.53 1s9c s PHE 145 Cb -0.04 0.05 -0.02 0.00 -1.31 0.00 0.00 43.02 41.71 1s9c s PHE 145 CO 0.28 -0.55 0.51 -0.51 1.83 0.00 0.00 175.22 176.78 1s9c s LEU 146 N 2.51 4.16 -0.74 6.12 1.43 0.91 -2.10 118.68 130.98 1s9c s LEU 146 Ca 0.05 0.30 -0.26 0.00 -1.03 0.00 0.00 54.13 53.19 1s9c s LEU 146 Cb -0.14 -2.63 -0.01 0.00 0.03 0.00 0.00 46.19 43.45 1s9c s LEU 146 CO -0.13 -0.37 1.69 0.68 0.23 0.00 0.00 176.35 178.45 1s9c s VAL 147 N 2.36 3.52 0.00 -1.59 -7.23 -1.26 -1.22 120.40 114.97 1s9c s VAL 147 Ca 0.20 0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.43 1s9c s VAL 147 Cb -0.15 -4.31 0.00 0.00 0.56 0.00 0.00 36.38 32.48 1s9c s VAL 147 CO 0.11 -1.26 0.00 0.61 -0.31 0.00 0.00 175.10 174.25 1s9c n GLY 148 N 5.94 3.27 0.35 2.32 0.00 -1.25 -4.89 105.19 110.92 1s9c n GLY 148 Ca 0.21 -0.94 0.18 0.00 0.00 0.00 0.00 46.02 45.47 1s9c n GLY 148 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1s9c h SER 149 N 0.00 0.00 -3.66 1.61 0.02 -1.81 -3.41 113.55 106.30 1s9c h SER 149 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 1s9c h SER 149 Cb 0.00 0.00 0.05 0.00 0.14 0.00 0.00 62.40 62.59 1s9c h SER 149 CO 0.00 0.00 0.64 -0.83 -1.14 0.00 0.00 176.83 175.50 1s9c s GLY 150 N -3.95 2.76 0.00 -3.77 0.00 -1.26 -4.69 107.32 96.42 1s9c s GLY 150 Ca -0.04 1.19 0.00 0.00 0.00 0.00 0.00 44.72 45.87 1s9c s GLY 150 CO 0.51 1.97 0.00 0.61 0.00 0.00 0.00 173.10 176.19 1s9c n GLY 151 N 1.48 0.02 0.00 0.20 0.00 -1.26 -4.38 105.19 101.24 1s9c n GLY 151 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1s9c n GLY 151 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1s9c n PHE 152 N 0.00 -0.41 -0.02 1.61 -1.74 -1.26 -5.03 117.46 110.61 1s9c n PHE 152 Ca 0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 56.85 1s9c n PHE 152 Cb 0.00 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 40.99 1s9c n PHE 152 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1s9c n GLY 153 N 0.46 -0.30 7.00 4.97 0.00 -1.26 -4.98 105.19 111.08 1s9c n GLY 153 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1s9c n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s9c n GLY 154 N 2.41 0.83 0.00 -0.02 0.00 -1.26 -4.83 105.19 102.32 1s9c n GLY 154 Ca -0.07 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.31 1s9c n GLY 154 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1s9c n LYS 155 N 0.00 1.53 0.00 1.61 2.85 -1.26 -5.06 118.16 117.83 1s9c n LYS 155 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1s9c n LYS 155 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1s9c n LYS 155 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1s9c n ARG 156 N -0.71 3.20 -3.32 -1.58 1.74 -1.26 -4.48 116.66 110.25 1s9c n ARG 156 Ca 0.00 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.94 1s9c n ARG 156 Cb 0.00 -0.43 -0.04 0.00 -1.02 0.00 0.00 32.46 30.97 1s9c n ARG 156 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1s9c n THR 157 N -0.53 0.00 -3.29 0.55 -2.24 -1.26 -5.04 114.28 102.47 1s9c n THR 157 Ca 0.00 -1.29 0.03 0.00 -2.27 0.00 0.00 64.05 60.52 1s9c n THR 157 Cb 0.00 0.45 -0.02 0.00 -2.10 0.00 0.00 70.33 68.66 1s9c n THR 157 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1s9c s SER 158 N -2.37 -1.16 0.00 3.42 0.15 -1.26 -4.96 113.70 107.51 1s9c s SER 158 Ca 0.10 0.97 0.00 0.00 0.70 0.00 0.00 55.95 57.72 1s9c s SER 158 Cb 0.01 2.07 0.00 0.00 -1.71 0.00 0.00 66.02 66.39 1s9c s SER 158 CO 0.07 -0.22 0.36 0.47 1.20 0.00 0.00 173.24 175.12 1s9c n ASP 159 N 5.41 0.81 -0.00 5.45 9.92 -1.26 -2.22 116.55 134.65 1s9c n ASP 159 Ca -0.05 -1.23 0.02 0.00 -0.53 0.00 0.00 54.79 53.00 1s9c n ASP 159 Cb 0.51 -0.31 -0.03 0.00 -0.64 0.00 0.00 41.12 40.65 1s9c n ASP 159 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1s9c n LYS 160 N 0.27 0.36 -3.57 -1.24 3.00 -1.26 -5.06 118.16 110.66 1s9c n LYS 160 Ca 0.00 -0.04 -0.32 0.00 -0.00 0.00 0.00 58.31 57.96 1s9c n LYS 160 Cb 0.18 -1.10 -0.05 0.00 0.00 0.00 0.00 35.03 34.06 1s9c n LYS 160 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1s9c s VAL 161 N -2.28 5.07 -0.71 3.15 0.11 -0.94 -4.98 120.40 119.82 1s9c s VAL 161 Ca -0.02 0.22 -0.21 0.00 -2.93 0.00 0.00 61.98 59.04 1s9c s VAL 161 Cb 0.03 -3.62 0.09 0.00 -1.53 0.00 0.00 36.38 31.34 1s9c s VAL 161 CO 0.18 0.01 0.97 -0.54 -3.33 0.00 0.00 175.10 172.39 1s9c s LYS 162 N -2.68 3.20 0.53 1.54 -0.14 -1.26 -5.01 119.74 115.93 1s9c s LYS 162 Ca 0.43 -1.08 -0.22 0.00 -1.36 0.00 0.00 55.97 53.74 1s9c s LYS 162 Cb -0.12 -4.38 -0.05 0.00 -1.68 0.00 0.00 37.83 31.60 1s9c s LYS 162 CO 0.23 -1.78 1.36 0.08 -0.76 0.00 0.00 175.35 174.48 1s9c s VAL 163 N 3.63 2.12 0.84 3.17 1.01 -1.26 -4.97 120.40 124.94 1s9c s VAL 163 Ca 0.23 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.18 1s9c s VAL 163 Cb -0.15 -3.05 0.10 0.00 0.00 0.00 0.00 36.38 33.28 1s9c s VAL 163 CO 0.06 0.00 1.17 0.00 0.00 0.00 0.00 175.10 176.32 1s9c s ALA 164 N -1.30 2.39 -0.02 5.51 0.00 -1.26 -5.02 121.76 122.06 1s9c s ALA 164 Ca 0.70 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 52.07 1s9c s ALA 164 Cb -0.40 -2.98 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1s9c s ALA 164 CO 0.48 -1.86 -0.06 0.08 0.00 0.00 0.00 175.76 174.40 1s9c s VAL 165 N -3.49 0.49 0.47 0.00 1.01 -0.37 -5.06 120.40 113.44 1s9c s VAL 165 Ca 0.63 -0.22 -0.23 0.00 0.00 0.00 0.00 61.98 62.16 1s9c s VAL 165 Cb -0.12 -0.44 -0.07 0.00 0.00 0.00 0.00 36.38 35.74 1s9c s VAL 165 CO 0.50 0.16 1.21 0.00 0.00 0.00 0.00 175.10 176.97 1s9c s ALA 166 N 0.16 2.98 0.43 5.51 0.00 -1.26 -3.83 121.76 125.75 1s9c s ALA 166 Ca -0.02 1.02 -0.21 0.00 0.00 0.00 0.00 51.96 52.76 1s9c s ALA 166 Cb -0.06 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.53 1s9c s ALA 166 CO -0.00 -0.77 0.95 0.96 0.00 0.00 0.00 175.76 176.89 1s9c s ILE 167 N -1.48 4.40 0.48 0.00 -4.36 -1.26 -5.00 121.20 113.97 1s9c s ILE 167 Ca 0.64 1.47 -0.23 0.00 -0.26 0.00 0.00 60.65 62.27 1s9c s ILE 167 Cb -0.31 -3.61 -0.09 0.00 1.25 0.00 0.00 42.46 39.71 1s9c s ILE 167 CO 0.38 -0.34 1.07 -2.65 0.24 0.00 0.00 174.94 173.65 1s9c n PRO 168 N -0.68 1.38 -2.57 0.37 -0.02 -1.26 -4.88 135.00 127.35 1s9c n PRO 168 Ca 0.07 0.50 -0.43 0.00 -2.02 0.00 0.00 63.50 61.62 1s9c n PRO 168 Cb 0.54 -2.18 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 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 0.02 5.13 -3.55 2.55 2.85 -1.26 -4.86 115.26 116.15 1s9c n ASN 169 Ca 0.10 -3.06 -0.07 0.00 -0.11 0.00 0.00 54.58 51.44 1s9c n ASN 169 Cb 0.42 -1.52 -0.03 0.00 1.24 0.00 0.00 39.78 39.90 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 0.87 0.59 0.47 1.20 1.70 -1.26 -5.14 118.95 117.39 1s9c s ARG 170 Ca 0.41 -0.16 -0.24 0.00 -0.47 0.00 0.00 55.73 55.27 1s9c s ARG 170 Cb 0.05 0.28 -0.08 0.00 -0.57 0.00 0.00 34.95 34.63 1s9c s ARG 170 CO 0.00 -0.25 1.31 -0.35 -1.08 0.00 0.00 175.30 174.94 1s9c n PRO 171 N -0.01 1.88 -1.60 3.89 -0.04 -1.26 -4.91 135.00 132.95 1s9c n PRO 171 Ca -0.06 0.68 -0.39 0.00 -0.04 0.00 0.00 63.50 63.69 1s9c n PRO 171 Cb 0.60 -2.48 0.03 0.00 -0.04 0.00 0.00 33.50 31.61 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 -0.36 1.08 0.12 0.54 -0.02 -1.26 -4.93 135.00 130.18 1s9c n PRO 172 Ca 0.08 0.40 -0.01 0.00 -2.02 0.00 0.00 63.50 61.95 1s9c n PRO 172 Cb 0.42 -2.07 0.07 0.00 -0.02 0.00 0.00 33.50 31.90 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 0.96 0.00 -4.60 2.55 3.32 -0.82 -3.47 116.42 114.36 1s9c h ASP 173 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1s9c h ASP 173 Cb 1.35 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.70 1s9c h ASP 173 CO 0.53 0.67 0.35 0.00 -1.72 0.00 0.00 179.24 179.07 1s9c s ALA 174 N -3.14 -1.84 -0.15 3.45 0.00 -1.08 -5.03 121.76 113.97 1s9c s ALA 174 Ca 0.01 1.44 -0.04 0.00 0.00 0.00 0.00 51.96 53.37 1s9c s ALA 174 Cb 0.10 -0.33 0.07 0.00 0.00 0.00 0.00 23.12 22.97 1s9c s ALA 174 CO 0.76 -0.34 0.24 0.54 0.00 0.00 0.00 175.76 176.96 1s9c s VAL 175 N -1.15 -0.37 -0.01 0.00 0.11 -1.26 -0.22 120.40 117.49 1s9c s VAL 175 Ca -0.07 0.18 0.01 0.00 -2.93 0.00 0.00 61.98 59.17 1s9c s VAL 175 Cb -0.00 -0.49 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 1s9c s VAL 175 CO 0.06 0.03 0.00 -0.76 -3.33 0.00 0.00 175.10 171.10 1s9c s LEU 176 N 2.38 3.54 0.13 2.54 1.43 -0.93 -4.94 118.68 122.82 1s9c s LEU 176 Ca 0.04 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.20 1s9c s LEU 176 Cb -0.13 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.05 1s9c s LEU 176 CO -0.09 0.29 0.09 0.42 0.23 0.00 0.00 176.35 177.29 1s9c s THR 177 N -1.06 4.37 -0.02 5.49 -4.23 -1.26 -1.48 115.64 117.46 1s9c s THR 177 Ca 0.19 -0.99 0.00 0.00 -1.18 0.00 0.00 61.69 59.71 1s9c s THR 177 Cb -0.11 -3.17 0.02 0.00 1.34 0.00 0.00 72.50 70.57 1s9c s THR 177 CO 0.09 0.00 0.00 -1.81 -0.54 0.00 0.00 174.62 172.37 1s9c s ASP 178 N -2.74 0.23 -0.30 3.99 1.11 -0.59 -5.00 116.67 113.36 1s9c s ASP 178 Ca 0.29 -0.01 -0.17 0.00 0.18 0.00 0.00 52.55 52.85 1s9c s ASP 178 Cb -0.11 -0.11 -0.02 0.00 1.07 0.00 0.00 42.92 43.75 1s9c s ASP 178 CO 0.22 -0.07 0.45 -0.89 1.18 0.00 0.00 175.17 176.06 1s9c s THR 179 N 0.67 5.10 0.37 -1.27 2.01 -1.26 -0.28 115.64 120.98 1s9c s THR 179 Ca -0.06 0.54 -0.24 0.00 0.31 0.00 0.00 61.69 62.23 1s9c s THR 179 Cb -0.09 -3.82 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 1s9c s THR 179 CO -0.02 0.01 0.97 -0.89 -0.69 0.00 0.00 174.62 174.01 1s9c s THR 180 N 2.22 4.12 0.36 -0.82 2.01 -0.60 -4.99 115.64 117.94 1s9c s THR 180 Ca 0.17 1.62 -0.16 0.00 0.31 0.00 0.00 61.69 63.63 1s9c s THR 180 Cb -0.16 -3.83 -0.09 0.00 0.01 0.00 0.00 72.50 68.43 1s9c s THR 180 CO 0.11 0.00 0.79 -0.55 -0.69 0.00 0.00 174.62 174.28 1s9c s SER 181 N -1.73 6.79 0.58 3.53 0.15 -1.26 -3.39 113.70 118.37 1s9c s SER 181 Ca 0.55 1.37 0.39 0.00 0.70 0.00 0.00 55.95 58.96 1s9c s SER 181 Cb -0.17 -2.41 2.08 0.00 -1.71 0.00 0.00 66.02 63.81 1s9c s SER 181 CO 0.22 -0.27 2.19 0.25 1.20 0.00 0.00 173.24 176.84 1s9c h LEU 182 N 2.06 0.00 -2.95 3.45 5.85 -1.90 -0.14 115.31 121.68 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 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1s9c h LEU 182 CO 0.64 0.00 0.00 0.59 -0.34 0.00 0.00 178.44 179.33 1s9c n ASN 183 N -2.91 3.10 -0.20 1.25 3.02 -1.26 -4.73 115.26 113.54 1s9c n ASN 183 Ca -0.02 -2.17 -0.02 0.00 -0.03 0.00 0.00 54.58 52.34 1s9c n ASN 183 Cb 0.09 -0.29 0.05 0.00 -0.61 0.00 0.00 39.78 39.02 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 2.01 -0.02 -0.61 3.52 5.75 -1.40 0.22 115.11 124.58 1s9c h GLN 184 Ca 0.00 0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.44 1s9c h GLN 184 Cb 0.85 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.38 1s9c h GLN 184 CO 0.04 -0.01 0.15 0.00 -2.65 0.00 0.00 178.83 176.36 1s9c h ALA 185 N 1.53 0.80 -0.29 3.38 0.00 -1.85 0.02 119.26 122.85 1s9c h ALA 185 Ca 0.28 -0.23 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1s9c h ALA 185 Cb 0.45 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1s9c h ALA 185 CO -0.62 0.51 0.20 0.00 0.00 0.00 0.00 179.25 179.35 1s9c h ALA 186 N 1.05 2.10 0.02 0.00 0.00 -1.28 -1.43 119.26 119.72 1s9c h ALA 186 Ca 0.19 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.87 1s9c h ALA 186 Cb 0.35 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1s9c h ALA 186 CO 0.00 -0.16 -1.18 1.25 0.00 0.00 0.00 179.25 179.16 1s9c h LEU 187 N 0.14 0.07 -1.39 0.00 5.85 -0.82 -3.38 115.31 115.78 1s9c h LEU 187 Ca 0.13 -0.63 0.08 0.00 0.84 0.00 0.00 57.88 58.30 1s9c h LEU 187 Cb 0.35 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.31 1s9c h LEU 187 CO -0.02 1.47 0.49 0.22 -0.34 0.00 0.00 178.44 180.26 1s9c h TYR 188 N -0.86 0.74 0.00 1.25 3.20 -0.86 -1.55 116.97 118.90 1s9c h TYR 188 Ca -0.31 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.57 1s9c h TYR 188 Cb 1.37 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 39.39 1s9c h TYR 188 CO 0.12 0.37 -0.04 0.07 -1.64 0.00 0.00 178.16 177.04 1s9c h ARG 189 N 0.72 0.00 0.00 1.82 0.11 -1.44 -0.79 114.38 114.80 1s9c h ARG 189 Ca 0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.41 1s9c h ARG 189 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 1s9c h ARG 189 CO -0.12 0.04 0.00 1.28 0.10 0.00 0.00 179.97 181.28 1s9c n LEU 190 N -3.84 0.00 -1.00 0.08 4.77 -0.58 -1.20 117.00 115.23 1s9c n LEU 190 Ca -0.03 0.38 0.08 0.00 -0.03 0.00 0.00 56.01 56.41 1s9c n LEU 190 Cb 0.13 -0.38 0.23 0.00 -2.33 0.00 0.00 43.42 41.07 1s9c n LEU 190 CO 0.29 -0.35 0.69 -1.20 -1.33 0.00 0.00 177.39 175.49 1s9c n SER 191 N -1.38 2.89 0.00 -1.43 7.64 -0.30 -4.95 113.62 116.09 1s9c n SER 191 Ca 0.01 -2.06 0.00 0.00 1.01 0.00 0.00 58.87 57.83 1s9c n SER 191 Cb 0.03 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.86 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 1.23 3.78 3.55 0.23 0.00 -0.34 -4.99 105.19 108.65 1s9c n GLY 192 Ca 0.17 -0.82 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 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 6.20 -0.06 1.61 -1.08 -1.23 -4.84 116.67 117.27 1s9c s ASP 193 Ca 0.00 -0.58 0.13 0.00 -0.52 0.00 0.00 52.55 51.58 1s9c s ASP 193 Cb 0.00 -2.56 0.48 0.00 -1.46 0.00 0.00 42.92 39.38 1s9c s ASP 193 CO 0.00 -1.80 1.36 0.79 0.52 0.00 0.00 175.17 176.04 1s9c n TRP 194 N 9.32 0.94 -1.66 -5.34 7.02 -1.26 -4.55 117.44 121.90 1s9c n TRP 194 Ca 0.07 -0.39 -0.56 0.00 -1.02 0.00 0.00 57.50 55.60 1s9c n TRP 194 Cb 0.49 -0.14 -0.07 0.00 -2.42 0.00 0.00 31.31 29.17 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 0.76 1.99 0.34 -0.99 2.85 -1.26 -4.79 115.26 114.16 1s9c n ASN 195 Ca 0.17 1.10 0.22 0.00 -0.11 0.00 0.00 54.58 55.96 1s9c n ASN 195 Cb 0.59 -1.14 1.17 0.00 1.24 0.00 0.00 39.78 41.64 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 6.04 0.00 -0.18 1.20 0.11 -1.97 -2.36 132.00 134.85 1s9c h PRO 196 Ca -0.47 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.69 1s9c h PRO 196 Cb 1.33 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1s9c h PRO 196 CO 0.89 0.00 0.25 1.25 -0.21 0.00 0.00 178.00 180.17 1s9c h LEU 197 N 0.00 0.00 -2.27 2.35 5.85 -1.86 0.46 115.31 119.83 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 0.10 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.13 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 -3.58 0.57 0.00 1.25 8.25 -0.89 -2.47 115.22 118.36 1s9c n HIS 198 Ca 0.02 -0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 1s9c n HIS 198 Cb 0.36 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.47 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 1.42 0.00 -2.95 1.59 3.06 -0.45 -4.52 119.36 117.51 1s9c n ILE 199 Ca 0.20 0.00 -0.41 0.00 -2.50 0.00 0.00 62.75 60.04 1s9c n ILE 199 Cb 0.58 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.72 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 -1.27 6.90 -0.18 9.51 2.15 0.03 -4.86 116.67 128.94 1s9c s ASP 200 Ca 0.00 1.11 -0.28 0.00 0.43 0.00 0.00 52.55 53.80 1s9c s ASP 200 Cb 0.00 -2.43 -0.05 0.00 -0.30 0.00 0.00 42.92 40.14 1s9c s ASP 200 CO 0.00 -0.34 2.13 -2.84 -0.17 0.00 0.00 175.17 173.95 1s9c s PRO 201 N 1.94 3.33 -0.18 4.34 0.02 -1.26 -4.78 135.00 138.41 1s9c s PRO 201 Ca 0.36 2.08 -0.30 0.00 0.02 0.00 0.00 61.00 63.16 1s9c s PRO 201 Cb -0.17 -4.32 0.14 0.00 0.02 0.00 0.00 34.50 30.18 1s9c s PRO 201 CO 0.13 -1.88 1.07 -2.14 -0.33 0.00 0.00 177.00 173.85 1s9c s PRO 212 N 5.94 0.48 0.20 5.54 0.02 -1.26 -5.13 135.00 140.79 1s9c s PRO 212 Ca 0.96 0.11 0.08 0.00 0.02 0.00 0.00 61.00 62.17 1s9c s PRO 212 Cb -0.34 0.23 -0.04 0.00 0.02 0.00 0.00 34.50 34.37 1s9c s PRO 212 CO 0.36 -0.15 -0.00 0.96 -0.33 0.00 0.00 177.00 177.83 1s9c s ILE 213 N -1.12 3.61 0.39 2.83 -4.36 -1.03 -4.53 121.20 116.99 1s9c s ILE 213 Ca 0.01 -1.59 -0.24 0.00 -0.26 0.00 0.00 60.65 58.57 1s9c s ILE 213 Cb -0.01 -2.85 -0.09 0.00 1.25 0.00 0.00 42.46 40.76 1s9c s ILE 213 CO -0.01 -0.19 1.02 -0.22 0.24 0.00 0.00 174.94 175.78 1s9c s LEU 214 N -3.17 4.14 0.31 0.37 2.96 0.79 -4.09 118.68 119.99 1s9c s LEU 214 Ca 0.28 1.97 -0.30 0.00 -0.22 0.00 0.00 54.13 55.87 1s9c s LEU 214 Cb -0.08 -4.21 -0.11 0.00 0.50 0.00 0.00 46.19 42.29 1s9c s LEU 214 CO 0.19 -0.42 1.59 -1.00 -1.32 0.00 0.00 176.35 175.39 1s9c s HIS 215 N -1.71 2.70 0.23 5.38 3.76 -1.26 -4.65 115.29 119.74 1s9c s HIS 215 Ca 0.57 0.81 -0.07 0.00 -0.15 0.00 0.00 55.06 56.22 1s9c s HIS 215 Cb -0.20 -4.09 0.28 0.00 1.11 0.00 0.00 32.58 29.69 1s9c s HIS 215 CO 0.25 -3.61 1.84 0.78 -0.85 0.00 0.00 174.74 173.16 1s9c h GLY 216 N 4.60 1.17 2.00 -2.22 0.00 -1.97 -0.65 103.07 105.99 1s9c h GLY 216 Ca -0.48 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.51 1s9c h GLY 216 CO 0.78 0.24 0.00 1.41 0.00 0.00 0.00 176.54 178.97 1s9c h LEU 217 N 0.89 0.00 0.02 3.11 3.38 -1.98 -1.75 115.31 118.98 1s9c h LEU 217 Ca 0.34 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.24 1s9c h LEU 217 Cb 0.14 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.90 1s9c h LEU 217 CO -0.16 0.00 -0.27 0.00 0.09 0.00 0.00 178.44 178.10 1s9c h THR 219 N -0.59 1.18 -0.35 0.00 2.02 -1.35 -0.18 112.91 113.64 1s9c h THR 219 Ca -0.04 -0.44 0.05 0.00 0.77 0.00 0.00 66.41 66.75 1s9c h THR 219 Cb 1.09 -0.21 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1s9c h THR 219 CO 0.05 0.23 0.09 0.15 0.37 0.00 0.00 175.52 176.42 1s9c h PHE 220 N 1.28 0.16 -0.48 3.16 3.57 -1.33 -1.33 116.94 121.98 1s9c h PHE 220 Ca 0.40 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.91 1s9c h PHE 220 Cb -0.01 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 1s9c h PHE 220 CO -0.00 0.05 0.28 0.78 -2.23 0.00 0.00 178.31 177.19 1s9c h GLY 221 N 0.23 0.70 0.13 2.40 0.00 0.27 -0.49 103.07 106.30 1s9c h GLY 221 Ca 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 47.33 47.19 1s9c h GLY 221 CO -0.19 0.29 -0.17 0.74 0.00 0.00 0.00 176.54 177.21 1s9c h PHE 222 N 0.64 -0.48 -0.58 5.60 -1.00 -0.52 0.22 116.94 120.81 1s9c h PHE 222 Ca 0.17 0.01 0.10 0.00 2.81 0.00 0.00 57.97 61.06 1s9c h PHE 222 Cb 0.01 0.19 -0.08 0.00 3.61 0.00 0.00 35.95 39.68 1s9c h PHE 222 CO -0.03 -0.21 0.16 0.77 -1.61 0.00 0.00 178.31 177.38 1s9c h SER 223 N -0.31 0.08 -0.72 2.17 0.02 -1.23 0.20 113.55 113.76 1s9c h SER 223 Ca -0.01 0.10 0.05 0.00 -0.84 0.00 0.00 61.79 61.08 1s9c h SER 223 Cb 0.28 0.12 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 1s9c h SER 223 CO -0.05 0.05 0.43 0.00 -1.14 0.00 0.00 176.83 176.13 1s9c h ALA 224 N 1.44 0.96 -0.88 3.77 0.00 -0.96 0.50 119.26 124.10 1s9c h ALA 224 Ca 0.30 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.20 1s9c h ALA 224 Cb 0.41 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1s9c h ALA 224 CO -0.36 0.17 0.55 -0.09 0.00 0.00 0.00 179.25 179.52 1s9c h ARG 225 N 0.82 1.18 -0.14 0.00 2.43 0.13 -1.15 114.38 117.65 1s9c h ARG 225 Ca 0.30 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 1s9c h ARG 225 Cb 0.10 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1s9c h ARG 225 CO -0.14 0.81 -0.10 0.00 -1.51 0.00 0.00 179.97 179.02 1s9c h ARG 226 N 1.20 0.32 -0.76 0.20 2.47 -0.02 -2.43 114.38 115.35 1s9c h ARG 226 Ca 0.32 -0.15 0.09 0.00 -1.26 0.00 0.00 59.98 58.97 1s9c h ARG 226 Cb -0.08 -0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.17 1s9c h ARG 226 CO -0.06 0.68 0.42 0.28 0.56 0.00 0.00 179.97 181.84 1s9c h VAL 227 N -0.04 0.90 -0.73 2.04 2.07 -0.63 0.12 116.25 119.99 1s9c h VAL 227 Ca 0.03 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.37 1s9c h VAL 227 Cb 0.60 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 1s9c h VAL 227 CO 0.03 0.13 0.41 0.25 0.02 0.00 0.00 177.57 178.41 1s9c h LEU 228 N 0.72 0.60 0.00 2.57 5.85 -1.05 -0.75 115.31 123.26 1s9c h LEU 228 Ca 0.36 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.98 1s9c h LEU 228 Cb 0.33 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1s9c h LEU 228 CO -0.24 0.38 -0.83 0.06 -0.34 0.00 0.00 178.44 177.47 1s9c h GLN 229 N 0.74 0.00 0.23 1.25 3.07 -0.82 -2.01 115.11 117.57 1s9c h GLN 229 Ca 0.33 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.73 1s9c h GLN 229 Cb 0.24 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.82 1s9c h GLN 229 CO -0.20 0.50 -1.59 0.37 0.09 0.00 0.00 178.83 178.00 1s9c h GLN 230 N 0.00 0.48 -0.14 0.06 5.75 -0.51 -3.34 115.11 117.42 1s9c h GLN 230 Ca -0.05 -0.82 0.00 0.00 -0.15 0.00 0.00 58.65 57.62 1s9c h GLN 230 Cb 1.49 0.31 0.00 0.00 1.07 0.00 0.00 27.48 30.35 1s9c h GLN 230 CO 0.07 1.39 0.00 1.19 -2.65 0.00 0.00 178.83 178.83 1s9c n PHE 231 N -3.68 0.18 -1.41 3.99 3.72 -0.31 -4.68 117.46 115.27 1s9c n PHE 231 Ca -0.20 -0.47 0.00 0.00 -0.05 0.00 0.00 57.45 56.72 1s9c n PHE 231 Cb 1.09 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 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 -0.07 1.28 -3.89 4.37 0.00 -0.99 -5.03 120.51 116.19 1s9c n ALA 232 Ca 0.05 -0.53 -0.27 0.00 0.00 0.00 0.00 53.44 52.69 1s9c n ALA 232 Cb 0.31 -0.12 0.01 0.00 0.00 0.00 0.00 19.45 19.66 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 -2.53 -1.78 0.00 8.00 -1.15 -1.10 116.55 117.98 1s9c n ASP 233 Ca 0.00 -0.87 -0.10 0.00 0.71 0.00 0.00 54.79 54.53 1s9c n ASP 233 Cb 0.55 -3.63 -0.03 0.00 -0.02 0.00 0.00 41.12 37.99 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 -2.92 -2.89 -4.47 -2.24 5.03 -0.79 -4.84 115.26 102.15 1s9c n ASN 234 Ca -0.14 0.25 -0.44 0.00 0.87 0.00 0.00 54.58 55.13 1s9c n ASN 234 Cb 0.60 -2.67 -0.02 0.00 -1.02 0.00 0.00 39.78 36.68 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 -1.91 6.78 0.44 6.41 -1.08 -0.26 -4.87 116.67 122.18 1s9c s ASP 235 Ca 0.00 -2.35 0.31 0.00 -0.52 0.00 0.00 52.55 49.99 1s9c s ASP 235 Cb 0.00 -2.42 1.45 0.00 -1.46 0.00 0.00 42.92 40.49 1s9c s ASP 235 CO 0.00 -0.98 1.60 0.58 0.52 0.00 0.00 175.17 176.89 1s9c h VAL 236 N 5.48 0.07 0.00 1.11 2.07 -1.88 0.24 116.25 123.34 1s9c h VAL 236 Ca 0.22 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.71 1s9c h VAL 236 Cb 0.97 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1s9c h VAL 236 CO 1.18 0.01 -0.10 0.77 0.02 0.00 0.00 177.57 179.45 1s9c h SER 237 N 0.05 0.00 0.46 0.57 4.64 -1.96 -2.45 113.55 114.86 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 2.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.76 1s9c h SER 237 CO -0.45 0.10 -0.14 0.54 -0.87 0.00 0.00 176.83 176.01 1s9c n ARG 238 N -3.77 0.52 -2.74 4.77 1.74 0.84 -4.71 116.66 113.32 1s9c n ARG 238 Ca -0.02 -0.18 -0.42 0.00 -0.77 0.00 0.00 57.85 56.46 1s9c n ARG 238 Cb 0.20 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.11 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 -2.60 2.55 -0.18 -1.55 2.19 -0.93 -2.42 117.98 115.03 1s9c s PHE 239 Ca 0.25 -0.42 -0.24 0.00 0.33 0.00 0.00 56.93 56.85 1s9c s PHE 239 Cb 0.20 -4.43 -0.22 0.00 -1.31 0.00 0.00 43.02 37.26 1s9c s PHE 239 CO 0.51 -1.81 0.42 0.87 1.83 0.00 0.00 175.22 177.04 1s9c h LYS 240 N 9.71 0.01 -2.75 10.12 1.57 -1.43 -3.43 116.57 130.37 1s9c h LYS 240 Ca -0.25 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1s9c h LYS 240 Cb 1.06 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.24 1s9c h LYS 240 CO 1.22 1.01 0.26 0.00 -0.57 0.00 0.00 179.45 181.37 1s9c s ALA 241 N -2.32 -1.66 0.01 3.86 0.00 -1.15 -0.53 121.76 119.97 1s9c s ALA 241 Ca -0.25 0.68 -0.02 0.00 0.00 0.00 0.00 51.96 52.37 1s9c s ALA 241 Cb 0.03 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 1s9c s ALA 241 CO 0.63 -0.70 0.02 0.14 0.00 0.00 0.00 175.76 175.85 1s9c s VAL 242 N -3.32 0.08 -0.02 0.00 -7.23 -0.18 0.05 120.40 109.77 1s9c s VAL 242 Ca 0.00 -0.63 0.01 0.00 -1.81 0.00 0.00 61.98 59.56 1s9c s VAL 242 Cb -0.01 -0.25 0.01 0.00 0.56 0.00 0.00 36.38 36.70 1s9c s VAL 242 CO -0.10 -0.34 -0.03 -0.75 -0.31 0.00 0.00 175.10 173.57 1s9c s LYS 243 N -1.06 0.47 0.02 4.82 2.47 -0.44 -1.28 119.74 124.74 1s9c s LYS 243 Ca -0.12 -0.08 -0.12 0.00 -1.56 0.00 0.00 55.97 54.09 1s9c s LYS 243 Cb -0.07 -0.52 0.01 0.00 -1.46 0.00 0.00 37.83 35.80 1s9c s LYS 243 CO -0.00 -0.01 0.26 0.00 0.16 0.00 0.00 175.35 175.75 1s9c s ALA 244 N 0.46 -0.58 -0.09 3.13 0.00 -0.37 -1.00 121.76 123.31 1s9c s ALA 244 Ca -0.05 -0.00 0.04 0.00 0.00 0.00 0.00 51.96 51.95 1s9c s ALA 244 Cb -0.08 0.22 -0.00 0.00 0.00 0.00 0.00 23.12 23.25 1s9c s ALA 244 CO -0.01 -0.33 -0.24 0.50 0.00 0.00 0.00 175.76 175.68 1s9c s ARG 245 N -2.10 2.93 0.06 0.00 3.52 -0.94 -0.77 118.95 121.66 1s9c s ARG 245 Ca -0.08 -0.87 -0.22 0.00 -0.13 0.00 0.00 55.73 54.42 1s9c s ARG 245 Cb -0.03 -2.26 -0.06 0.00 -1.56 0.00 0.00 34.95 31.04 1s9c s ARG 245 CO -0.01 0.21 0.66 -0.06 -0.81 0.00 0.00 175.30 175.30 1s9c s PHE 246 N 0.26 3.77 0.00 5.12 0.08 0.25 -0.78 117.98 126.68 1s9c s PHE 246 Ca -0.16 1.37 0.00 0.00 0.12 0.00 0.00 56.93 58.26 1s9c s PHE 246 Cb -0.17 -2.66 0.00 0.00 -0.57 0.00 0.00 43.02 39.62 1s9c s PHE 246 CO 0.08 0.43 0.00 0.00 -0.10 0.00 0.00 175.22 175.63 1s9c n ALA 247 N 2.25 0.00 -1.30 5.36 0.00 -0.05 -4.90 120.51 121.87 1s9c n ALA 247 Ca -0.06 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 0.09 0.00 0.00 0.00 0.00 19.45 20.04 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 3.33 2.16 0.90 0.00 1.02 -0.91 -4.93 119.74 121.31 1s9c s LYS 248 Ca 0.00 1.61 -0.11 0.00 0.02 0.00 0.00 55.97 57.48 1s9c s LYS 248 Cb 0.00 -1.85 0.13 0.00 -0.52 0.00 0.00 37.83 35.59 1s9c s LYS 248 CO 0.00 -1.79 1.09 -2.14 -0.92 0.00 0.00 175.35 171.59 1s9c s PRO 249 N -4.12 1.19 -0.02 -1.68 0.02 -1.26 -4.34 135.00 124.78 1s9c s PRO 249 Ca 0.71 0.91 0.03 0.00 0.02 0.00 0.00 61.00 62.66 1s9c s PRO 249 Cb -0.25 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.47 1s9c s PRO 249 CO 0.47 -2.31 -0.10 0.08 -0.33 0.00 0.00 177.00 174.80 1s9c s VAL 250 N -2.88 0.86 -0.14 3.83 1.01 -1.26 -4.91 120.40 116.92 1s9c s VAL 250 Ca 0.64 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 62.17 1s9c s VAL 250 Cb -0.19 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 1s9c s VAL 250 CO 0.57 0.26 -0.02 -0.31 0.00 0.00 0.00 175.10 175.61 1s9c s TYR 251 N 0.11 3.08 -0.30 5.22 1.51 -1.26 -0.15 117.35 125.57 1s9c s TYR 251 Ca -0.02 -0.11 -0.41 0.00 -1.01 0.00 0.00 57.07 55.52 1s9c s TYR 251 Cb -0.08 -1.92 -0.17 0.00 -0.11 0.00 0.00 41.96 39.68 1s9c s TYR 251 CO 0.00 0.13 1.67 -2.30 -1.11 0.00 0.00 175.55 173.94 1s9c n PRO 252 N 3.13 0.86 0.00 -1.71 -0.02 -1.26 -0.55 135.00 135.45 1s9c n PRO 252 Ca -0.18 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1s9c n PRO 252 Cb 0.53 -1.95 0.00 0.00 -0.02 0.00 0.00 33.50 32.06 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 3.96 0.85 3.56 -1.23 0.00 -0.96 -4.52 105.19 106.85 1s9c n GLY 253 Ca 0.27 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.00 -0.56 -0.20 1.61 -0.21 0.28 -4.28 119.66 116.30 1s9c s GLN 254 Ca 0.00 0.62 -0.03 0.00 0.02 0.00 0.00 55.36 55.97 1s9c s GLN 254 Cb 0.00 -1.61 -0.01 0.00 1.00 0.00 0.00 33.01 32.39 1s9c s GLN 254 CO 0.00 -3.43 -0.06 0.99 -2.12 0.00 0.00 175.29 170.67 1s9c s THR 255 N -2.68 3.33 0.44 -0.19 2.01 -1.26 -1.56 115.64 115.73 1s9c s THR 255 Ca 0.67 -0.52 -0.20 0.00 0.31 0.00 0.00 61.69 61.95 1s9c s THR 255 Cb -0.22 -2.49 -0.11 0.00 0.01 0.00 0.00 72.50 69.70 1s9c s THR 255 CO 0.62 0.45 0.95 -0.76 -0.69 0.00 0.00 174.62 175.19 1s9c s LEU 256 N 1.17 3.90 -0.26 4.42 1.43 0.62 -1.17 118.68 128.79 1s9c s LEU 256 Ca 0.02 1.68 -0.02 0.00 -1.03 0.00 0.00 54.13 54.77 1s9c s LEU 256 Cb -0.14 -4.54 0.08 0.00 0.03 0.00 0.00 46.19 41.62 1s9c s LEU 256 CO -0.01 -0.39 0.08 -1.58 0.23 0.00 0.00 176.35 174.67 1s9c s GLN 257 N -3.29 0.60 -0.42 1.70 0.74 0.83 -1.55 119.66 118.27 1s9c s GLN 257 Ca 0.62 -0.72 -0.17 0.00 0.05 0.00 0.00 55.36 55.14 1s9c s GLN 257 Cb -0.09 -1.89 0.02 0.00 1.10 0.00 0.00 33.01 32.15 1s9c s GLN 257 CO 0.15 -0.86 0.42 0.99 -0.55 0.00 0.00 175.29 175.45 1s9c s THR 258 N 1.80 5.11 -0.06 -0.34 2.01 -0.55 -0.41 115.64 123.19 1s9c s THR 258 Ca 0.05 -0.36 -0.16 0.00 0.31 0.00 0.00 61.69 61.53 1s9c s THR 258 Cb -0.17 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.27 1s9c s THR 258 CO -0.20 -0.40 0.42 -1.61 -0.69 0.00 0.00 174.62 172.14 1s9c s GLU 259 N 2.09 4.13 0.05 4.92 2.02 0.81 -2.19 118.70 130.52 1s9c s GLU 259 Ca 0.11 0.39 0.05 0.00 0.02 0.00 0.00 54.97 55.55 1s9c s GLU 259 Cb -0.17 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.70 1s9c s GLU 259 CO 0.13 0.43 -0.15 -1.64 0.02 0.00 0.00 175.26 174.05 1s9c s MET 260 N -0.24 0.99 -0.09 1.61 -1.94 0.69 -1.20 119.30 119.13 1s9c s MET 260 Ca 0.24 -0.84 0.00 0.00 -1.71 0.00 0.00 55.69 53.37 1s9c s MET 260 Cb -0.16 -1.03 0.02 0.00 2.01 0.00 0.00 34.83 35.67 1s9c s MET 260 CO 0.11 0.25 -0.07 -1.58 -0.01 0.00 0.00 175.02 173.72 1s9c s TRP 261 N -0.94 1.24 -0.27 -0.03 0.51 0.35 -0.05 118.94 119.75 1s9c s TRP 261 Ca 0.02 -0.53 -0.16 0.00 -2.12 0.00 0.00 56.10 53.32 1s9c s TRP 261 Cb -0.08 -1.05 -0.03 0.00 -0.81 0.00 0.00 33.47 31.49 1s9c s TRP 261 CO 0.02 -0.39 0.41 0.21 -0.51 0.00 0.00 176.95 176.68 1s9c s LYS 262 N 1.43 4.03 -0.57 4.98 2.20 -1.26 -0.35 119.74 130.20 1s9c s LYS 262 Ca -0.01 0.10 0.04 0.00 -0.36 0.00 0.00 55.97 55.74 1s9c s LYS 262 Cb -0.13 -3.66 0.16 0.00 -1.51 0.00 0.00 37.83 32.69 1s9c s LYS 262 CO -0.04 -0.30 0.40 -1.21 -0.36 0.00 0.00 175.35 173.84 1s9c s GLU 263 N 2.13 1.81 7.80 4.03 0.41 -0.51 -5.01 118.70 129.34 1s9c s GLU 263 Ca 0.16 -2.75 0.00 0.00 -0.41 0.00 0.00 54.97 51.98 1s9c s GLU 263 Cb -0.16 -2.67 0.00 0.00 -1.78 0.00 0.00 34.13 29.52 1s9c s GLU 263 CO 0.10 -1.29 0.00 0.41 -0.49 0.00 0.00 175.26 173.99 1s9c n GLY 264 N 2.53 2.61 1.10 -1.39 0.00 -1.26 -2.39 105.19 106.39 1s9c n GLY 264 Ca 0.20 -0.33 0.12 0.00 0.00 0.00 0.00 46.02 46.01 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 8.64 3.29 -4.38 1.61 5.03 -1.26 -4.85 115.26 123.34 1s9c n ASN 265 Ca 0.00 -1.97 -0.35 0.00 0.87 0.00 0.00 54.58 53.13 1s9c n ASN 265 Cb 0.00 -0.23 -0.13 0.00 -1.02 0.00 0.00 39.78 38.40 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 -1.54 3.51 -0.43 3.52 3.52 -1.01 -0.48 118.95 126.04 1s9c s ARG 266 Ca 0.38 -0.56 -0.14 0.00 -0.13 0.00 0.00 55.73 55.28 1s9c s ARG 266 Cb 0.22 -3.08 0.05 0.00 -1.56 0.00 0.00 34.95 30.59 1s9c s ARG 266 CO 0.31 -0.11 0.32 0.42 -0.81 0.00 0.00 175.30 175.43 1s9c s ILE 267 N 1.31 4.99 0.39 4.11 -1.09 -0.54 -1.43 121.20 128.95 1s9c s ILE 267 Ca 0.04 -0.98 -0.23 0.00 -2.23 0.00 0.00 60.65 57.25 1s9c s ILE 267 Cb -0.15 -3.91 -0.10 0.00 -1.58 0.00 0.00 42.46 36.73 1s9c s ILE 267 CO 0.00 -0.45 0.99 -1.00 -1.23 0.00 0.00 174.94 173.26 1s9c s HIS 268 N 1.61 3.38 0.07 3.97 3.76 0.53 -1.84 115.29 126.76 1s9c s HIS 268 Ca 0.04 1.67 -0.15 0.00 -0.15 0.00 0.00 55.06 56.47 1s9c s HIS 268 Cb -0.22 -2.99 0.02 0.00 1.11 0.00 0.00 32.58 30.51 1s9c s HIS 268 CO 0.07 -0.26 0.33 -0.59 -0.85 0.00 0.00 174.74 173.44 1s9c s PHE 269 N -1.81 -0.13 0.02 1.40 -0.71 -0.53 -0.50 117.98 115.72 1s9c s PHE 269 Ca 0.58 -0.06 0.01 0.00 -1.04 0.00 0.00 56.93 56.41 1s9c s PHE 269 Cb -0.17 0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.76 1s9c s PHE 269 CO 0.22 -0.57 -0.04 -1.14 -1.34 0.00 0.00 175.22 172.35 1s9c s GLN 270 N -2.98 0.36 -0.05 1.99 0.74 -0.34 -2.52 119.66 116.86 1s9c s GLN 270 Ca -0.02 -0.57 0.03 0.00 0.05 0.00 0.00 55.36 54.85 1s9c s GLN 270 Cb 0.00 -0.06 0.01 0.00 1.10 0.00 0.00 33.01 34.06 1s9c s GLN 270 CO -0.06 -0.00 -0.13 0.99 -0.55 0.00 0.00 175.29 175.53 1s9c s THR 271 N -1.20 1.19 0.42 -0.34 2.01 -0.08 -0.13 115.64 117.50 1s9c s THR 271 Ca -0.11 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.38 1s9c s THR 271 Cb -0.08 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.33 1s9c s THR 271 CO -0.00 0.36 0.06 -0.54 -0.69 0.00 0.00 174.62 173.80 1s9c s LYS 272 N 0.38 1.95 -0.43 4.92 1.02 0.45 -0.21 119.74 127.81 1s9c s LYS 272 Ca -0.09 -2.18 -0.01 0.00 0.02 0.00 0.00 55.97 53.71 1s9c s LYS 272 Cb -0.13 -1.08 0.12 0.00 -0.52 0.00 0.00 37.83 36.21 1s9c s LYS 272 CO 0.03 -0.32 0.21 0.08 -0.92 0.00 0.00 175.35 174.43 1s9c s VAL 273 N -3.06 3.09 -0.51 3.17 1.01 -0.49 -0.12 120.40 123.49 1s9c s VAL 273 Ca 0.23 -2.33 -0.26 0.00 0.00 0.00 0.00 61.98 59.62 1s9c s VAL 273 Cb 0.05 -3.13 -0.06 0.00 0.00 0.00 0.00 36.38 33.23 1s9c s VAL 273 CO 0.12 -0.71 2.34 -1.58 0.00 0.00 0.00 175.10 175.28 1s9c s GLN 274 N 0.83 2.14 0.00 2.72 -0.44 -0.31 0.25 119.66 124.85 1s9c s GLN 274 Ca 0.11 1.29 0.00 0.00 -2.50 0.00 0.00 55.36 54.26 1s9c s GLN 274 Cb -0.22 -4.57 0.00 0.00 -1.64 0.00 0.00 33.01 26.58 1s9c s GLN 274 CO -0.05 -3.25 0.00 0.39 0.50 0.00 0.00 175.29 172.89 1s9c n GLU 275 N 9.03 0.00 0.00 1.67 1.02 -1.26 -4.41 120.64 126.69 1s9c n GLU 275 Ca 0.35 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.49 1s9c n GLU 275 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.96 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 -0.89 2.62 -2.24 -0.42 -5.00 114.28 108.34 1s9c n THR 276 Ca 0.00 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1s9c n THR 276 Cb 0.00 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 68.66 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 1.87 0.63 3.75 3.38 0.00 0.14 -4.98 105.19 109.98 1s9c n GLY 277 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.54 5.29 -0.25 1.61 1.01 -1.25 -4.63 116.67 115.90 1s9c s ASP 278 Ca 0.00 2.64 -0.17 0.00 0.71 0.00 0.00 52.55 55.73 1s9c s ASP 278 Cb 0.00 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.28 1s9c s ASP 278 CO 0.00 -1.54 0.48 -0.63 0.21 0.00 0.00 175.17 173.69 1s9c s ILE 279 N -1.38 5.10 -0.07 0.77 1.01 -1.26 -1.39 121.20 123.97 1s9c s ILE 279 Ca 0.73 0.82 0.19 0.00 0.00 0.00 0.00 60.65 62.38 1s9c s ILE 279 Cb -0.37 -3.80 -0.28 0.00 0.01 0.00 0.00 42.46 38.02 1s9c s ILE 279 CO 0.43 0.12 0.32 1.33 0.00 0.00 0.00 174.94 177.14 1s9c n VAL 280 N 5.02 0.38 -3.78 2.92 0.24 0.70 -2.15 118.33 121.67 1s9c n VAL 280 Ca -0.05 -0.55 -0.18 0.00 -2.04 0.00 0.00 64.34 61.52 1s9c n VAL 280 Cb 0.50 -0.12 -0.17 0.00 -1.47 0.00 0.00 33.84 32.58 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 -3.08 0.03 0.27 1.34 1.01 -0.99 -0.87 121.20 118.91 1s9c s ILE 281 Ca -0.08 0.25 0.05 0.00 0.00 0.00 0.00 60.65 60.88 1s9c s ILE 281 Cb 0.10 -0.21 -0.06 0.00 0.01 0.00 0.00 42.46 42.31 1s9c s ILE 281 CO 0.80 0.16 -0.03 -0.94 0.00 0.00 0.00 174.94 174.92 1s9c s SER 282 N 1.56 2.48 -1.78 3.58 1.04 0.04 -0.90 113.70 119.71 1s9c s SER 282 Ca -0.03 -1.22 -0.20 0.00 0.48 0.00 0.00 55.95 54.99 1s9c s SER 282 Cb -0.13 -0.11 0.19 0.00 0.10 0.00 0.00 66.02 66.07 1s9c s SER 282 CO -0.03 -0.42 0.64 0.59 0.98 0.00 0.00 173.24 175.01 1s9c n ASN 283 N -0.55 -2.27 -5.00 7.02 3.02 -1.26 -2.21 115.26 114.01 1s9c n ASN 283 Ca -0.05 -1.14 -0.18 0.00 -0.03 0.00 0.00 54.58 53.18 1s9c n ASN 283 Cb 0.64 -2.13 0.01 0.00 -0.61 0.00 0.00 39.78 37.69 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 -3.35 4.43 0.15 5.41 0.00 -1.05 -1.24 121.76 126.11 1s9c s ALA 284 Ca 0.73 -1.61 -0.25 0.00 0.00 0.00 0.00 51.96 50.84 1s9c s ALA 284 Cb -0.41 -1.68 0.07 0.00 0.00 0.00 0.00 23.12 21.10 1s9c s ALA 284 CO 0.98 -0.28 0.99 1.52 0.00 0.00 0.00 175.76 178.97 1s9c s TYR 285 N -2.36 -0.10 -0.16 0.00 -0.85 -0.17 -1.45 117.35 112.26 1s9c s TYR 285 Ca 0.54 -0.21 -0.08 0.00 -0.52 0.00 0.00 57.07 56.80 1s9c s TYR 285 Cb -0.10 0.64 0.07 0.00 0.38 0.00 0.00 41.96 42.95 1s9c s TYR 285 CO 0.33 -0.80 0.37 0.54 -1.52 0.00 0.00 175.55 174.47 1s9c s VAL 286 N -3.09 -0.24 -0.10 -3.49 0.11 -0.77 -1.33 120.40 111.49 1s9c s VAL 286 Ca 0.13 0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 59.14 1s9c s VAL 286 Cb -0.01 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.22 1s9c s VAL 286 CO 0.02 0.06 0.50 -1.81 -3.33 0.00 0.00 175.10 170.54 1s9c s ASP 287 N 1.84 6.73 0.53 3.54 1.01 0.11 -1.46 116.67 128.96 1s9c s ASP 287 Ca -0.06 0.87 0.04 0.00 0.71 0.00 0.00 52.55 54.11 1s9c s ASP 287 Cb -0.10 -2.30 0.02 0.00 1.01 0.00 0.00 42.92 41.55 1s9c s ASP 287 CO -0.12 0.01 0.25 -0.76 0.21 0.00 0.00 175.17 174.76 1s9c s LEU 288 N 0.52 2.55 0.00 1.23 1.43 0.37 -1.18 118.68 123.60 1s9c s LEU 288 Ca 0.27 -1.40 0.00 0.00 -1.03 0.00 0.00 54.13 51.97 1s9c s LEU 288 Cb -0.16 -1.02 0.00 0.00 0.03 0.00 0.00 46.19 45.05 1s9c s LEU 288 CO 0.11 -1.00 0.31 0.00 0.23 0.00 0.00 176.35 176.00