#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 2.36 -2.96 1.61 1.13 -1.26 -4.60 117.38 113.66 1s9c n GLN 13 Ca 0.00 0.84 -0.44 0.00 -1.94 0.00 0.00 57.00 55.46 1s9c n GLN 13 Cb 0.00 -2.59 -0.01 0.00 0.11 0.00 0.00 30.24 27.76 1s9c n GLN 13 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 1s9c s LYS 14 N 0.01 3.91 0.83 -1.09 1.02 -1.26 -2.47 119.74 120.69 1s9c s LYS 14 Ca 0.70 -2.32 -0.16 0.00 0.02 0.00 0.00 55.97 54.21 1s9c s LYS 14 Cb -0.59 -4.98 -0.13 0.00 -0.52 0.00 0.00 37.83 31.60 1s9c s LYS 14 CO 0.45 -1.74 -0.82 1.28 -0.92 0.00 0.00 175.35 173.60 1s9c n LEU 15 N 5.83 -4.44 -4.70 3.17 4.77 -1.01 -4.86 117.00 115.76 1s9c n LEU 15 Ca 0.31 0.11 -0.42 0.00 -0.03 0.00 0.00 56.01 55.99 1s9c n LEU 15 Cb 0.45 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 1s9c n LEU 15 CO 0.57 -4.35 1.34 -2.84 -1.33 0.00 0.00 177.39 170.79 1s9c s PRO 16 N -1.66 4.18 0.25 3.23 0.02 -1.26 -4.52 135.00 135.24 1s9c s PRO 16 Ca 0.32 2.43 -0.30 0.00 0.02 0.00 0.00 61.00 63.48 1s9c s PRO 16 Cb -0.09 -3.43 -0.09 0.00 0.02 0.00 0.00 34.50 30.90 1s9c s PRO 16 CO 0.66 -0.73 1.21 -1.25 -0.33 0.00 0.00 177.00 176.56 1s9c s PRO 17 N 2.13 4.49 0.30 5.54 0.04 -1.26 -4.62 135.00 141.63 1s9c s PRO 17 Ca 0.75 1.96 0.03 0.00 0.04 0.00 0.00 61.00 63.78 1s9c s PRO 17 Cb -0.43 -3.18 -0.06 0.00 0.04 0.00 0.00 34.50 30.87 1s9c s PRO 17 CO 0.33 -0.05 0.06 -0.59 0.04 0.00 0.00 177.00 176.79 1s9c s PHE 18 N -0.59 1.86 0.21 0.56 -0.71 -0.96 -5.01 117.98 113.34 1s9c s PHE 18 Ca 0.50 -0.98 0.07 0.00 -1.04 0.00 0.00 56.93 55.48 1s9c s PHE 18 Cb -0.35 -1.18 -0.05 0.00 -1.21 0.00 0.00 43.02 40.23 1s9c s PHE 18 CO 0.42 -0.04 -0.12 -1.54 -1.34 0.00 0.00 175.22 172.60 1s9c s SER 19 N -3.44 2.43 -0.02 1.98 1.04 -1.26 -0.13 113.70 114.30 1s9c s SER 19 Ca 0.36 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1s9c s SER 19 Cb 0.08 -0.11 0.01 0.00 0.10 0.00 0.00 66.02 66.11 1s9c s SER 19 CO 0.15 -0.24 -0.01 -0.47 0.98 0.00 0.00 173.24 173.65 1s9c s TYR 20 N -3.06 0.23 0.03 5.02 5.04 0.76 -4.91 117.35 120.45 1s9c s TYR 20 Ca 0.23 -0.00 0.03 0.00 -2.44 0.00 0.00 57.07 54.89 1s9c s TYR 20 Cb 0.01 -0.26 -0.02 0.00 0.35 0.00 0.00 41.96 42.04 1s9c s TYR 20 CO 0.07 -0.07 -0.10 0.00 -1.34 0.00 0.00 175.55 174.11 1s9c s ALA 21 N 0.53 0.82 0.20 3.97 0.00 -1.26 0.74 121.76 126.77 1s9c s ALA 21 Ca -0.05 -0.70 -0.16 0.00 0.00 0.00 0.00 51.96 51.05 1s9c s ALA 21 Cb -0.08 -0.08 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1s9c s ALA 21 CO -0.01 0.11 0.49 1.52 0.00 0.00 0.00 175.76 177.87 1s9c s TYR 22 N -0.93 0.02 0.43 0.00 -0.85 0.33 -4.99 117.35 111.36 1s9c s TYR 22 Ca -0.03 -0.38 0.03 0.00 -0.52 0.00 0.00 57.07 56.18 1s9c s TYR 22 Cb -0.08 0.32 -0.01 0.00 0.38 0.00 0.00 41.96 42.57 1s9c s TYR 22 CO 0.01 -0.92 0.11 0.25 -1.52 0.00 0.00 175.55 173.48 1s9c n THR 23 N -0.34 0.00 -0.07 -3.49 -2.24 -1.26 -0.52 114.28 106.36 1s9c n THR 23 Ca -0.08 -2.37 0.18 0.00 -2.27 0.00 0.00 64.05 59.52 1s9c n THR 23 Cb 0.62 0.76 0.62 0.00 -2.10 0.00 0.00 70.33 70.23 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 0.16 0.13 -0.78 3.07 -1.92 -2.66 114.58 112.58 1s9c h GLU 24 Ca -0.34 -0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.51 1s9c h GLU 24 Cb 1.22 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 29.08 1s9c h GLU 24 CO 0.54 0.11 -0.17 1.25 -1.40 0.00 0.00 179.01 179.33 1s9c h LEU 25 N 0.17 -0.49 -1.59 1.33 5.85 -1.95 0.41 115.31 119.03 1s9c h LEU 25 Ca 0.30 0.04 0.26 0.00 0.84 0.00 0.00 57.88 59.33 1s9c h LEU 25 Cb 0.96 0.17 -0.07 0.00 0.37 0.00 0.00 40.66 42.08 1s9c h LEU 25 CO -0.05 -0.22 0.68 -0.33 -0.34 0.00 0.00 178.44 178.19 1s9c h GLU 26 N -0.32 0.27 0.26 1.25 3.07 -1.88 0.16 114.58 117.40 1s9c h GLU 26 Ca -0.02 -0.02 -0.01 0.00 -0.50 0.00 0.00 59.36 58.82 1s9c h GLU 26 Cb 0.29 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.14 1s9c h GLU 26 CO -0.04 0.18 -0.12 0.00 -1.40 0.00 0.00 179.01 177.62 1s9c h ALA 27 N 1.57 -0.35 -0.97 3.43 0.00 -1.08 -1.84 119.26 120.02 1s9c h ALA 27 Ca 0.54 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.29 1s9c h ALA 27 Cb 1.58 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 19.46 1s9c h ALA 27 CO -0.18 -0.51 0.64 0.82 0.00 0.00 0.00 179.25 180.01 1s9c h ILE 28 N -0.72 1.20 -0.96 0.00 2.04 0.14 -0.69 117.51 118.51 1s9c h ILE 28 Ca -0.04 -0.43 0.01 0.00 1.00 0.00 0.00 64.86 65.41 1s9c h ILE 28 Cb 0.49 -0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.35 1s9c h ILE 28 CO 0.06 0.23 0.64 -0.03 0.00 0.00 0.00 178.15 179.05 1s9c h MET 29 N 1.26 1.25 -0.03 2.37 4.05 -0.72 0.06 114.93 123.17 1s9c h MET 29 Ca 0.37 -0.08 -0.00 0.00 -0.28 0.00 0.00 59.70 59.71 1s9c h MET 29 Cb -0.05 -0.28 -0.00 0.00 -0.80 0.00 0.00 31.60 30.46 1s9c h MET 29 CO -0.10 0.83 0.00 -0.92 0.23 0.00 0.00 176.91 176.95 1s9c h TYR 30 N 1.29 0.06 -0.55 1.39 3.20 -0.33 -1.69 116.97 120.34 1s9c h TYR 30 Ca 0.36 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.31 1s9c h TYR 30 Cb -0.12 -0.02 -0.07 0.00 1.54 0.00 0.00 36.73 38.06 1s9c h TYR 30 CO -0.00 0.30 0.15 0.00 -1.64 0.00 0.00 178.16 176.96 1s9c h ALA 31 N 0.75 0.66 0.13 1.82 0.00 -0.58 0.54 119.26 122.58 1s9c h ALA 31 Ca 0.01 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1s9c h ALA 31 Cb 0.28 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1s9c h ALA 31 CO 0.00 -0.27 -0.06 -0.07 0.00 0.00 0.00 179.25 178.85 1s9c h LEU 32 N 0.29 -0.15 -0.02 0.00 3.38 -0.93 -1.70 115.31 116.18 1s9c h LEU 32 Ca 0.28 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1s9c h LEU 32 Cb 0.37 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1s9c h LEU 32 CO -0.33 0.02 0.00 0.61 0.09 0.00 0.00 178.44 178.83 1s9c n GLY 33 N -0.78 -0.69 0.69 0.83 0.00 -0.64 -1.56 105.19 103.03 1s9c n GLY 33 Ca -0.08 -0.02 0.07 0.00 0.00 0.00 0.00 46.02 45.99 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 -1.51 0.68 0.00 1.61 3.14 0.12 -4.50 118.33 117.88 1s9c n VAL 34 Ca 0.01 -0.84 0.00 0.00 -2.96 0.00 0.00 64.34 60.55 1s9c n VAL 34 Cb 0.06 0.75 0.00 0.00 -1.06 0.00 0.00 33.84 33.59 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 0.72 0.95 3.54 7.55 0.00 -0.60 -3.69 105.19 113.67 1s9c n GLY 35 Ca 0.12 -0.21 -0.45 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.89 -3.26 4.61 0.00 -0.70 -4.98 120.51 115.29 1s9c n ALA 36 Ca 0.00 0.40 -0.13 0.00 0.00 0.00 0.00 53.44 53.71 1s9c n ALA 36 Cb 0.00 -1.92 -0.13 0.00 0.00 0.00 0.00 19.45 17.40 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 -0.68 -0.14 0.00 0.00 0.15 -1.26 -4.58 113.70 107.19 1s9c s SER 37 Ca 0.60 0.29 0.10 0.00 0.70 0.00 0.00 55.95 57.64 1s9c s SER 37 Cb -0.75 0.26 0.60 0.00 -1.71 0.00 0.00 66.02 64.42 1s9c s SER 37 CO 0.59 -0.08 1.09 2.30 1.20 0.00 0.00 173.24 178.34 1s9c n ILE 38 N 3.41 0.00 0.21 6.45 -5.35 -1.26 -2.00 119.36 120.82 1s9c n ILE 38 Ca -0.17 0.00 0.07 0.00 -0.27 0.00 0.00 62.75 62.37 1s9c n ILE 38 Cb 0.57 -0.46 0.48 0.00 -1.74 0.00 0.00 39.64 38.49 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 -4.63 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 0.27 -0.53 0.34 -2.27 0.00 0.00 179.45 177.26 1s9c s ASP 40 N -6.60 5.64 0.40 4.20 -1.08 -0.85 -4.98 116.67 113.39 1s9c s ASP 40 Ca -0.02 -0.93 0.20 0.00 -0.52 0.00 0.00 52.55 51.27 1s9c s ASP 40 Cb 0.13 -2.00 1.15 0.00 -1.46 0.00 0.00 42.92 40.75 1s9c s ASP 40 CO 0.67 -0.34 1.73 -0.65 0.52 0.00 0.00 175.17 177.09 1s9c h PRO 41 N 8.39 0.33 0.00 4.34 0.11 -1.85 0.26 132.00 143.58 1s9c h PRO 41 Ca -0.26 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1s9c h PRO 41 Cb 1.11 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 1s9c h PRO 41 CO 0.65 0.22 -0.02 0.87 -0.21 0.00 0.00 178.00 179.51 1s9c h LYS 42 N 0.34 0.00 0.00 1.05 1.57 -1.93 -1.91 116.57 115.68 1s9c h LYS 42 Ca 0.66 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.44 1s9c h LYS 42 Cb 1.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.03 1s9c h LYS 42 CO -0.36 0.02 -0.07 -0.25 -0.57 0.00 0.00 179.45 178.22 1s9c n ASP 43 N -3.20 0.40 0.20 0.86 9.92 0.91 -3.34 116.55 122.29 1s9c n ASP 43 Ca -0.02 0.46 0.18 0.00 -0.53 0.00 0.00 54.79 54.88 1s9c n ASP 43 Cb 0.16 -0.54 0.83 0.00 -0.64 0.00 0.00 41.12 40.93 1s9c n ASP 43 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1s9c h LEU 44 N 0.00 0.00 -2.04 0.64 5.85 -1.44 0.83 115.31 119.16 1s9c h LEU 44 Ca 0.00 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1s9c h LEU 44 Cb 0.61 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.64 1s9c h LEU 44 CO 0.00 0.00 -0.03 0.50 -0.34 0.00 0.00 178.44 178.57 1s9c h LYS 45 N 0.00 0.00 -0.00 1.25 3.64 -1.76 -0.91 116.57 118.79 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 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1s9c h LYS 45 CO -0.00 0.03 -0.60 1.19 -2.27 0.00 0.00 179.45 177.80 1s9c n PHE 46 N -4.33 0.00 -0.04 1.91 3.72 0.26 -1.66 117.46 117.32 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 0.12 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.56 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 -1.21 0.57 -3.85 4.37 5.41 -1.05 -4.44 119.36 119.17 1s9c n ILE 47 Ca 0.03 -0.45 -0.36 0.00 1.00 0.00 0.00 62.75 62.97 1s9c n ILE 47 Cb 0.22 -0.39 -0.13 0.00 -0.71 0.00 0.00 39.64 38.62 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 -2.50 3.15 0.47 1.39 5.04 -0.37 -4.93 117.35 119.60 1s9c s TYR 48 Ca -0.06 -1.36 0.23 0.00 -2.44 0.00 0.00 57.07 53.45 1s9c s TYR 48 Cb 0.05 -2.17 1.38 0.00 0.35 0.00 0.00 41.96 41.57 1s9c s TYR 48 CO 0.52 -0.68 2.09 1.05 -1.34 0.00 0.00 175.55 177.19 1s9c h GLU 49 N 8.12 0.00 0.00 4.97 9.09 -1.92 -1.56 114.58 133.28 1s9c h GLU 49 Ca -0.29 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 28.20 1s9c h GLU 49 CO 0.58 0.11 -0.06 0.78 0.05 0.00 0.00 179.01 180.47 1s9c h GLY 50 N 0.50 0.00 -4.55 1.06 0.00 -1.94 -3.45 103.07 94.70 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 0.01 0.00 0.79 -1.26 0.00 0.00 0.00 176.54 176.08 1s9c n SER 51 N -3.20 3.39 0.25 0.19 2.88 -0.59 -4.82 113.62 111.72 1s9c n SER 51 Ca -0.00 1.13 0.17 0.00 -1.33 0.00 0.00 58.87 58.83 1s9c n SER 51 Cb 0.30 -1.51 0.72 0.00 -0.75 0.00 0.00 64.21 62.97 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 4.93 0.00 0.23 -3.46 4.64 -1.89 -1.58 113.55 116.42 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 0.00 -0.55 -0.67 -0.87 0.00 0.00 176.83 175.55 1s9c n ASP 53 N -2.86 1.01 -3.71 4.97 -0.08 -1.26 -5.00 116.55 109.63 1s9c n ASP 53 Ca 0.00 -0.81 -0.51 0.00 -1.51 0.00 0.00 54.79 51.96 1s9c n ASP 53 Cb 0.24 0.44 -0.07 0.00 2.34 0.00 0.00 41.12 44.06 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 -1.03 1.07 -4.14 -0.67 7.35 -0.60 -4.94 117.46 114.51 1s9c n PHE 54 Ca 0.08 0.89 -0.09 0.00 -0.76 0.00 0.00 57.45 57.56 1s9c n PHE 54 Cb 0.36 -1.73 -0.10 0.00 0.35 0.00 0.00 39.48 38.36 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 1.51 0.75 -0.11 -2.13 0.01 -0.66 -4.91 113.70 108.15 1s9c s SER 55 Ca 0.79 -1.05 -0.09 0.00 1.31 0.00 0.00 55.95 56.92 1s9c s SER 55 Cb -1.13 0.17 -0.04 0.00 0.21 0.00 0.00 66.02 65.23 1s9c s SER 55 CO 0.58 -0.57 0.18 0.00 0.41 0.00 0.00 173.24 173.84 1s9c s LEU 57 N -0.88 4.42 0.20 0.00 1.43 -1.26 -4.82 118.68 117.77 1s9c s LEU 57 Ca 0.16 2.56 -0.16 0.00 -1.03 0.00 0.00 54.13 55.65 1s9c s LEU 57 Cb -0.13 -3.63 0.20 0.00 0.03 0.00 0.00 46.19 42.66 1s9c s LEU 57 CO 0.05 -0.56 1.61 -0.65 0.23 0.00 0.00 176.35 177.02 1s9c h PRO 58 N 4.64 -0.07 0.00 1.29 0.11 -1.96 0.19 132.00 136.20 1s9c h PRO 58 Ca -0.46 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1s9c h PRO 58 Cb 1.22 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1s9c h PRO 58 CO 0.74 -0.05 0.00 0.25 -0.21 0.00 0.00 178.00 178.73 1s9c n THR 59 N -5.44 0.44 0.32 -1.15 -2.24 -1.26 -1.92 114.28 103.03 1s9c n THR 59 Ca 0.06 0.11 0.21 0.00 -2.27 0.00 0.00 64.05 62.17 1s9c n THR 59 Cb 0.35 -1.02 1.09 0.00 -2.10 0.00 0.00 70.33 68.65 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 -1.32 0.26 116.94 124.23 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 0.03 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1s9c h PHE 60 CO 0.00 0.00 -0.06 0.78 -2.23 0.00 0.00 178.31 176.80 1s9c h GLY 61 N 0.44 0.00 1.81 2.40 0.00 -1.59 -0.28 103.07 105.85 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 -0.22 -2.08 0.00 0.00 0.00 176.54 174.24 1s9c h VAL 62 N 0.00 1.22 0.00 4.60 2.07 -1.19 -2.31 116.25 120.65 1s9c h VAL 62 Ca -0.00 -1.03 -0.20 0.00 0.82 0.00 0.00 66.70 66.29 1s9c h VAL 62 Cb 0.22 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1s9c h VAL 62 CO 0.01 0.32 -0.88 0.40 0.02 0.00 0.00 177.57 177.43 1s9c h ILE 63 N 0.21 1.50 -0.18 4.57 2.04 -1.19 -2.11 117.51 122.35 1s9c h ILE 63 Ca 0.04 -2.63 -0.01 0.00 1.00 0.00 0.00 64.86 63.25 1s9c h ILE 63 Cb 0.52 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1s9c h ILE 63 CO 0.04 0.77 0.08 0.40 0.00 0.00 0.00 178.15 179.43 1s9c h ILE 64 N 0.11 1.15 -0.16 -0.67 2.04 -1.14 -2.80 117.51 116.03 1s9c h ILE 64 Ca -0.04 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.35 1s9c h ILE 64 Cb 1.51 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.72 1s9c h ILE 64 CO 0.13 0.15 0.00 0.61 0.00 0.00 0.00 178.15 179.04 1s9c n GLY 65 N -0.73 0.45 0.16 5.37 0.00 -0.99 -4.09 105.19 105.36 1s9c n GLY 65 Ca -0.04 -0.47 0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 2.62 0.00 -5.49 1.61 4.15 -1.09 -3.42 115.11 113.49 1s9c h GLN 66 Ca 0.00 0.00 -0.20 0.00 0.77 0.00 0.00 58.65 59.22 1s9c h GLN 66 Cb 0.57 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.26 1s9c h GLN 66 CO 0.00 0.00 0.69 0.21 -1.93 0.00 0.00 178.83 177.80 1s9c s LYS 67 N -3.29 1.86 -0.06 1.69 2.20 -1.26 -5.08 119.74 115.81 1s9c s LYS 67 Ca 0.06 0.79 -0.32 0.00 -0.36 0.00 0.00 55.97 56.15 1s9c s LYS 67 Cb 0.10 -4.71 0.13 0.00 -1.51 0.00 0.00 37.83 31.83 1s9c s LYS 67 CO 0.52 -3.92 1.26 -1.54 -0.36 0.00 0.00 175.35 171.32 1s9c s SER 68 N 11.14 -0.08 0.00 1.43 1.04 -1.26 -5.04 113.70 120.92 1s9c s SER 68 Ca 0.92 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 57.25 1s9c s SER 68 Cb -0.14 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.14 1s9c s SER 68 CO 0.14 -0.29 0.00 -0.38 0.98 0.00 0.00 173.24 173.70 1s9c n ILE 82 N -0.38 0.00 -3.80 -1.02 5.41 -1.26 -5.19 119.36 113.12 1s9c n ILE 82 Ca -0.06 0.00 -0.29 0.00 1.00 0.00 0.00 62.75 63.40 1s9c n ILE 82 Cb 0.62 0.00 -0.13 0.00 -0.71 0.00 0.00 39.64 39.41 1s9c n ILE 82 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1s9c s ASN 83 N -1.17 3.90 0.44 4.38 3.84 -1.26 -4.98 114.94 120.09 1s9c s ASN 83 Ca 0.00 -2.93 0.33 0.00 0.21 0.00 0.00 52.86 50.47 1s9c s ASN 83 Cb 0.00 -1.28 1.49 0.00 -0.55 0.00 0.00 41.25 40.91 1s9c s ASN 83 CO 0.00 -0.23 1.55 0.33 -2.79 0.00 0.00 177.10 175.96 1s9c n PHE 84 N 3.17 0.67 0.30 0.43 7.35 -1.26 0.21 117.46 128.34 1s9c n PHE 84 Ca 0.10 0.68 0.17 0.00 -0.76 0.00 0.00 57.45 57.64 1s9c n PHE 84 Cb 0.34 -1.12 0.78 0.00 0.35 0.00 0.00 39.48 39.84 1s9c n PHE 84 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1s9c h ALA 85 N 1.56 1.00 -0.14 3.13 0.00 -2.02 -1.65 119.26 121.14 1s9c h ALA 85 Ca 0.88 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.79 1s9c h ALA 85 Cb 2.86 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.65 1s9c h ALA 85 CO -0.45 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.43 1s9c n LYS 86 N -2.87 2.18 -3.38 0.00 4.76 0.57 -4.95 118.16 114.48 1s9c n LYS 86 Ca -0.00 -1.75 -0.36 0.00 -2.87 0.00 0.00 58.31 53.33 1s9c n LYS 86 Cb 0.21 -1.47 -0.06 0.00 -1.84 0.00 0.00 35.03 31.87 1s9c n LYS 86 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 1s9c s VAL 87 N -1.84 4.87 -0.06 -0.18 1.01 -0.62 -5.00 120.40 118.58 1s9c s VAL 87 Ca 0.33 0.90 0.05 0.00 0.00 0.00 0.00 61.98 63.26 1s9c s VAL 87 Cb 0.21 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.82 1s9c s VAL 87 CO 0.31 0.37 -0.22 -0.76 0.00 0.00 0.00 175.10 174.80 1s9c s LEU 88 N -1.61 2.00 -0.67 3.92 1.43 0.26 -4.93 118.68 119.08 1s9c s LEU 88 Ca 0.33 -0.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.72 1s9c s LEU 88 Cb -0.16 -1.21 0.04 0.00 0.03 0.00 0.00 46.19 44.88 1s9c s LEU 88 CO 0.18 0.20 1.15 -2.28 0.23 0.00 0.00 176.35 175.83 1s9c s HIS 89 N -0.01 2.49 -0.14 0.29 5.65 -1.26 0.16 115.29 122.47 1s9c s HIS 89 Ca -0.06 -0.08 -0.23 0.00 0.25 0.00 0.00 55.06 54.94 1s9c s HIS 89 Cb -0.13 -4.46 -0.21 0.00 -1.18 0.00 0.00 32.58 26.60 1s9c s HIS 89 CO 0.04 -1.80 0.58 0.78 -0.65 0.00 0.00 174.74 173.68 1s9c h GLY 90 N 12.19 0.00 -2.66 1.59 0.00 -1.30 -3.44 103.07 109.44 1s9c h GLY 90 Ca -0.27 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 46.85 1s9c h GLY 90 CO 1.22 0.00 -0.59 -0.54 0.00 0.00 0.00 176.54 176.62 1s9c s GLU 91 N -2.13 1.14 -0.03 4.80 2.02 -1.11 -1.83 118.70 121.56 1s9c s GLU 91 Ca -0.17 -1.54 -0.09 0.00 0.02 0.00 0.00 54.97 53.19 1s9c s GLU 91 Cb -0.02 0.28 0.01 0.00 0.10 0.00 0.00 34.13 34.50 1s9c s GLU 91 CO 0.56 -0.37 0.20 -1.14 0.02 0.00 0.00 175.26 174.54 1s9c s GLN 92 N -4.11 0.43 -0.06 1.61 2.00 -0.94 -2.09 119.66 116.50 1s9c s GLN 92 Ca 0.33 -0.10 -0.04 0.00 -2.00 0.00 0.00 55.36 53.56 1s9c s GLN 92 Cb 0.07 0.19 0.03 0.00 0.80 0.00 0.00 33.01 34.10 1s9c s GLN 92 CO 0.09 -0.10 0.15 -0.47 -0.50 0.00 0.00 175.29 174.46 1s9c s TYR 93 N -0.81 -0.17 -0.01 1.67 6.14 -1.05 -2.14 117.35 120.98 1s9c s TYR 93 Ca -0.09 0.46 0.01 0.00 0.64 0.00 0.00 57.07 58.08 1s9c s TYR 93 Cb -0.05 -0.02 0.01 0.00 0.42 0.00 0.00 41.96 42.32 1s9c s TYR 93 CO 0.02 -0.13 -0.01 -1.17 0.64 0.00 0.00 175.55 174.89 1s9c s LEU 94 N 0.72 1.76 -0.04 6.97 2.96 -0.69 -1.05 118.68 129.31 1s9c s LEU 94 Ca -0.05 -0.03 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 1s9c s LEU 94 Cb -0.07 -0.14 0.01 0.00 0.50 0.00 0.00 46.19 46.49 1s9c s LEU 94 CO -0.04 -0.01 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.21 1s9c s GLU 95 N 0.26 0.97 -0.42 1.98 2.12 -0.70 -0.98 118.70 121.94 1s9c s GLU 95 Ca -0.02 -0.23 -0.08 0.00 0.36 0.00 0.00 54.97 55.00 1s9c s GLU 95 Cb -0.05 -0.91 0.09 0.00 0.26 0.00 0.00 34.13 33.52 1s9c s GLU 95 CO -0.01 0.02 0.24 -0.51 -0.54 0.00 0.00 175.26 174.47 1s9c s LEU 96 N 0.54 5.16 0.52 2.70 1.43 0.76 -1.62 118.68 128.16 1s9c s LEU 96 Ca -0.08 -1.63 0.31 0.00 -1.03 0.00 0.00 54.13 51.69 1s9c s LEU 96 Cb -0.12 -1.94 1.22 0.00 0.03 0.00 0.00 46.19 45.37 1s9c s LEU 96 CO 0.01 -0.54 1.93 1.88 0.23 0.00 0.00 176.35 179.86 1s9c h TYR 97 N 8.32 0.00 -2.54 0.29 -1.99 -1.06 -3.44 116.97 116.56 1s9c h TYR 97 Ca -0.21 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.43 1s9c h TYR 97 Cb 1.07 0.00 -0.22 0.00 2.00 0.00 0.00 36.73 39.58 1s9c h TYR 97 CO 0.61 0.06 -0.11 0.15 -0.00 0.00 0.00 178.16 178.86 1s9c s LYS 98 N -3.65 0.66 0.23 4.88 1.02 -1.14 -5.02 119.74 116.72 1s9c s LYS 98 Ca 0.01 0.50 -0.31 0.00 0.02 0.00 0.00 55.97 56.19 1s9c s LYS 98 Cb 0.09 0.32 -0.14 0.00 -0.52 0.00 0.00 37.83 37.58 1s9c s LYS 98 CO 0.57 -0.12 1.28 -2.30 -0.92 0.00 0.00 175.35 173.86 1s9c n PRO 99 N 2.31 1.68 -2.24 -1.68 -0.02 -1.26 -4.85 135.00 128.94 1s9c n PRO 99 Ca -0.15 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.50 1s9c n PRO 99 Cb 0.56 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 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 0.25 4.38 0.77 2.45 1.43 -1.26 -4.99 118.68 121.70 1s9c s LEU 100 Ca 0.68 2.27 -0.13 0.00 -1.03 0.00 0.00 54.13 55.91 1s9c s LEU 100 Cb -0.72 -3.59 0.06 0.00 0.03 0.00 0.00 46.19 41.97 1s9c s LEU 100 CO 0.52 -0.58 1.16 -2.16 0.23 0.00 0.00 176.35 175.53 1s9c s PRO 101 N 0.83 2.01 0.00 1.29 0.04 -1.26 -4.36 135.00 133.55 1s9c s PRO 101 Ca 0.61 1.57 0.13 0.00 0.04 0.00 0.00 61.00 63.36 1s9c s PRO 101 Cb -0.35 -1.84 0.79 0.00 0.04 0.00 0.00 34.50 33.14 1s9c s PRO 101 CO 0.32 -1.90 1.23 2.89 0.04 0.00 0.00 177.00 179.58 1s9c n ARG 102 N -3.12 0.40 0.00 4.56 1.85 -1.26 -4.70 116.66 114.39 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 -1.03 0.00 0.00 2.89 0.00 -1.26 -2.77 120.51 118.34 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 -0.19 1.54 3.47 0.00 0.00 0.32 -4.98 105.19 105.34 1s9c n GLY 104 Ca 0.00 -1.63 -0.32 0.00 0.00 0.00 0.00 46.02 44.07 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 -1.65 2.36 0.02 1.61 1.02 -1.26 -0.52 119.74 121.31 1s9c s LYS 105 Ca 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 55.97 55.20 1s9c s LYS 105 Cb 0.00 -2.31 -0.01 0.00 -0.52 0.00 0.00 37.83 34.99 1s9c s LYS 105 CO 0.00 0.59 -0.03 -0.51 -0.92 0.00 0.00 175.35 174.48 1s9c s LEU 106 N -0.97 2.17 -0.19 3.17 1.43 0.23 -4.65 118.68 119.87 1s9c s LEU 106 Ca 0.13 -0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1s9c s LEU 106 Cb -0.11 0.02 -0.04 0.00 0.03 0.00 0.00 46.19 46.10 1s9c s LEU 106 CO 0.02 -0.19 0.06 -0.75 0.23 0.00 0.00 176.35 175.72 1s9c s LYS 107 N -1.04 3.92 0.05 1.70 2.20 0.29 -0.17 119.74 126.69 1s9c s LYS 107 Ca -0.10 -0.37 0.07 0.00 -0.36 0.00 0.00 55.97 55.21 1s9c s LYS 107 Cb -0.07 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 33.00 1s9c s LYS 107 CO -0.01 0.21 -0.17 0.00 -0.36 0.00 0.00 175.35 175.02 1s9c s GLU 109 N -1.57 0.91 -0.08 0.00 2.02 0.85 -2.26 118.70 118.58 1s9c s GLU 109 Ca 0.15 -0.30 -0.14 0.00 0.02 0.00 0.00 54.97 54.71 1s9c s GLU 109 Cb -0.11 -1.74 -0.05 0.00 0.10 0.00 0.00 34.13 32.34 1s9c s GLU 109 CO 0.06 -0.47 0.34 0.00 0.02 0.00 0.00 175.26 175.22 1s9c s ALA 110 N 1.82 3.67 -0.04 5.21 0.00 -1.26 -1.18 121.76 129.98 1s9c s ALA 110 Ca 0.01 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.62 1s9c s ALA 110 Cb -0.15 -2.35 0.03 0.00 0.00 0.00 0.00 23.12 20.65 1s9c s ALA 110 CO -0.07 0.34 0.03 0.08 0.00 0.00 0.00 175.76 176.15 1s9c s VAL 111 N -0.46 0.04 0.06 0.00 1.01 0.35 -2.39 120.40 119.01 1s9c s VAL 111 Ca 0.21 0.27 -0.31 0.00 0.00 0.00 0.00 61.98 62.15 1s9c s VAL 111 Cb -0.15 -0.23 -0.07 0.00 0.00 0.00 0.00 36.38 35.94 1s9c s VAL 111 CO 0.09 0.17 1.41 -0.69 0.00 0.00 0.00 175.10 176.08 1s9c s VAL 112 N 1.72 3.48 -0.09 2.92 1.01 -1.03 -1.62 120.40 126.78 1s9c s VAL 112 Ca -0.00 0.98 0.21 0.00 0.00 0.00 0.00 61.98 63.16 1s9c s VAL 112 Cb -0.13 -3.63 -0.30 0.00 0.00 0.00 0.00 36.38 32.33 1s9c s VAL 112 CO -0.03 0.03 0.38 0.00 0.00 0.00 0.00 175.10 175.48 1s9c n ALA 113 N 4.74 2.39 -3.18 5.51 0.00 -0.67 -4.38 120.51 124.92 1s9c n ALA 113 Ca 0.13 -0.76 0.02 0.00 0.00 0.00 0.00 53.44 52.82 1s9c n ALA 113 Cb 0.43 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.29 1s9c n ALA 113 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1s9c n ASP 114 N -2.43 -0.32 -3.83 0.00 -0.08 -1.04 -4.93 116.55 103.92 1s9c n ASP 114 Ca -0.13 -1.15 -0.09 0.00 -1.51 0.00 0.00 54.79 51.91 1s9c n ASP 114 Cb 0.75 0.52 -0.04 0.00 2.34 0.00 0.00 41.12 44.69 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 -2.39 0.02 0.52 5.18 1.01 -1.26 -3.25 120.40 120.22 1s9c s VAL 115 Ca 0.05 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.12 1s9c s VAL 115 Cb -0.00 -1.81 0.04 0.00 0.00 0.00 0.00 36.38 34.61 1s9c s VAL 115 CO 0.01 -0.08 0.55 0.54 0.00 0.00 0.00 175.10 176.13 1s9c s VAL 122 N -3.92 2.16 -0.24 2.92 0.11 -1.26 -4.96 120.40 115.22 1s9c s VAL 122 Ca 0.13 -1.24 -0.13 0.00 -2.93 0.00 0.00 61.98 57.81 1s9c s VAL 122 Cb -0.02 -2.40 0.07 0.00 -1.53 0.00 0.00 36.38 32.51 1s9c s VAL 122 CO 0.02 0.00 0.59 -0.69 -3.33 0.00 0.00 175.10 171.68 1s9c s VAL 123 N -2.63 -0.03 -0.19 2.04 1.01 -1.26 -4.76 120.40 114.58 1s9c s VAL 123 Ca 0.49 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.49 1s9c s VAL 123 Cb -0.04 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.48 1s9c s VAL 123 CO 0.30 0.01 -0.12 0.27 0.00 0.00 0.00 175.10 175.56 1s9c s ILE 124 N 1.58 2.75 -0.23 2.22 -4.36 -0.16 -4.99 121.20 118.01 1s9c s ILE 124 Ca -0.10 -0.71 -0.15 0.00 -0.26 0.00 0.00 60.65 59.43 1s9c s ILE 124 Cb -0.06 -2.20 -0.04 0.00 1.25 0.00 0.00 42.46 41.41 1s9c s ILE 124 CO -0.17 0.49 0.37 -0.63 0.24 0.00 0.00 174.94 175.23 1s9c s ILE 125 N 1.24 5.20 -0.17 8.37 1.01 -1.20 -1.22 121.20 134.43 1s9c s ILE 125 Ca 0.03 0.61 -0.00 0.00 0.00 0.00 0.00 60.65 61.28 1s9c s ILE 125 Cb -0.14 -3.70 0.04 0.00 0.01 0.00 0.00 42.46 38.68 1s9c s ILE 125 CO -0.06 0.23 -0.06 -0.32 0.00 0.00 0.00 174.94 174.72 1s9c s MET 126 N 1.56 1.57 0.36 2.79 -2.45 -0.48 -1.66 119.30 120.98 1s9c s MET 126 Ca 0.16 -0.60 -0.25 0.00 -1.25 0.00 0.00 55.69 53.76 1s9c s MET 126 Cb -0.15 -2.11 -0.10 0.00 1.25 0.00 0.00 34.83 33.72 1s9c s MET 126 CO 0.08 -0.43 0.96 -0.51 1.05 0.00 0.00 175.02 176.16 1s9c s ASP 127 N 1.58 7.18 -0.10 1.11 1.01 -0.64 -2.49 116.67 124.31 1s9c s ASP 127 Ca 0.00 1.82 -0.04 0.00 0.71 0.00 0.00 52.55 55.04 1s9c s ASP 127 Cb -0.16 -2.57 0.05 0.00 1.01 0.00 0.00 42.92 41.26 1s9c s ASP 127 CO -0.08 -0.18 0.20 0.54 0.21 0.00 0.00 175.17 175.86 1s9c s VAL 128 N -1.76 -0.32 -0.12 -1.27 0.11 0.50 -0.50 120.40 117.05 1s9c s VAL 128 Ca 0.54 0.32 -0.05 0.00 -2.93 0.00 0.00 61.98 59.86 1s9c s VAL 128 Cb -0.16 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1s9c s VAL 128 CO 0.21 0.13 0.06 -0.31 -3.33 0.00 0.00 175.10 171.87 1s9c s TYR 129 N 2.31 3.34 -0.15 1.54 1.51 -0.32 -0.83 117.35 124.74 1s9c s TYR 129 Ca 0.02 0.29 0.02 0.00 -1.01 0.00 0.00 57.07 56.39 1s9c s TYR 129 Cb -0.12 -1.90 0.01 0.00 -0.11 0.00 0.00 41.96 39.84 1s9c s TYR 129 CO -0.07 0.51 -0.21 -1.12 -1.11 0.00 0.00 175.55 173.55 1s9c s SER 130 N -0.70 3.19 0.26 2.29 0.01 -0.69 -0.10 113.70 117.96 1s9c s SER 130 Ca 0.12 -0.60 0.10 0.00 1.31 0.00 0.00 55.95 56.88 1s9c s SER 130 Cb -0.12 -1.47 -0.04 0.00 0.21 0.00 0.00 66.02 64.60 1s9c s SER 130 CO 0.02 0.06 -0.02 -0.31 0.41 0.00 0.00 173.24 173.41 1s9c s TYR 131 N 0.91 2.68 0.08 2.43 1.51 0.29 -0.63 117.35 124.63 1s9c s TYR 131 Ca -0.04 -0.22 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1s9c s TYR 131 Cb -0.15 -1.20 0.00 0.00 -0.11 0.00 0.00 41.96 40.50 1s9c s TYR 131 CO -0.04 0.62 0.00 0.45 -1.11 0.00 0.00 175.55 175.47 1s9c n SER 132 N -0.81 0.73 -0.11 2.29 2.88 -1.26 0.11 113.62 117.45 1s9c n SER 132 Ca -0.07 0.12 -0.22 0.00 -1.33 0.00 0.00 58.87 57.38 1s9c n SER 132 Cb 0.59 -0.20 -0.12 0.00 -0.75 0.00 0.00 64.21 63.73 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 133 N -3.35 0.65 -3.67 -1.46 2.13 -1.26 -4.84 120.64 108.84 1s9c n GLU 133 Ca 0.00 0.22 -0.36 0.00 0.66 0.00 0.00 57.16 57.68 1s9c n GLU 133 Cb 0.13 -1.56 -0.09 0.00 0.27 0.00 0.00 31.44 30.19 1s9c n GLU 133 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 1s9c s LEU 136 N -6.93 4.16 -0.17 4.31 2.96 -1.26 -5.17 118.68 116.58 1s9c s LEU 136 Ca -0.33 0.21 -0.08 0.00 -0.22 0.00 0.00 54.13 53.70 1s9c s LEU 136 Cb 0.10 -2.14 -0.08 0.00 0.50 0.00 0.00 46.19 44.57 1s9c s LEU 136 CO 0.60 0.11 -0.22 -0.38 -1.32 0.00 0.00 176.35 175.14 1s9c n ILE 137 N 3.93 0.94 -3.96 6.68 5.41 0.20 -4.66 119.36 127.90 1s9c n ILE 137 Ca -0.15 -0.25 -0.08 0.00 1.00 0.00 0.00 62.75 63.27 1s9c n ILE 137 Cb 0.52 -1.70 -0.09 0.00 -0.71 0.00 0.00 39.64 37.67 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 -3.78 1.27 -0.04 0.00 2.46 -0.64 -1.70 115.29 112.87 1s9c s HIS 139 Ca 0.05 -0.48 0.05 0.00 0.47 0.00 0.00 55.06 55.15 1s9c s HIS 139 Cb 0.06 -0.99 -0.02 0.00 -0.13 0.00 0.00 32.58 31.49 1s9c s HIS 139 CO -0.10 -0.30 -0.18 -0.80 -2.47 0.00 0.00 174.74 170.89 1s9c s ASN 140 N 0.93 3.70 -0.36 9.88 0.01 -0.01 -1.72 114.94 127.36 1s9c s ASN 140 Ca -0.10 -0.30 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 40.96 1s9c s ASN 140 CO 0.01 0.33 0.14 -1.58 -1.51 0.00 0.00 177.10 174.49 1s9c s GLN 141 N -0.73 1.03 -0.15 -0.60 0.74 -0.21 -0.37 119.66 119.37 1s9c s GLN 141 Ca 0.11 -1.53 -0.26 0.00 0.05 0.00 0.00 55.36 53.73 1s9c s GLN 141 Cb -0.10 -2.30 -0.02 0.00 1.10 0.00 0.00 33.01 31.69 1s9c s GLN 141 CO 0.00 -1.04 0.87 -0.06 -0.55 0.00 0.00 175.29 174.51 1s9c s PHE 142 N 1.06 3.45 -0.68 1.67 0.40 -1.04 -2.52 117.98 120.32 1s9c s PHE 142 Ca 0.13 1.34 -0.14 0.00 -0.60 0.00 0.00 56.93 57.66 1s9c s PHE 142 Cb -0.20 -3.05 0.18 0.00 0.51 0.00 0.00 43.02 40.46 1s9c s PHE 142 CO -0.14 -0.22 0.62 0.45 0.70 0.00 0.00 175.22 176.64 1s9c s SER 143 N 1.12 6.41 0.12 1.36 0.15 -0.89 -1.38 113.70 120.60 1s9c s SER 143 Ca 0.41 -2.29 -0.19 0.00 0.70 0.00 0.00 55.95 54.58 1s9c s SER 143 Cb -0.17 -2.19 -0.07 0.00 -1.71 0.00 0.00 66.02 61.88 1s9c s SER 143 CO 0.14 -0.69 0.62 -0.76 1.20 0.00 0.00 173.24 173.75 1s9c s LEU 144 N 0.81 4.48 -0.18 3.45 1.43 -0.36 -0.80 118.68 127.51 1s9c s LEU 144 Ca 0.11 1.31 -0.01 0.00 -1.03 0.00 0.00 54.13 54.52 1s9c s LEU 144 Cb -0.20 -3.12 0.00 0.00 0.03 0.00 0.00 46.19 42.91 1s9c s LEU 144 CO -0.03 0.20 -0.14 0.12 0.23 0.00 0.00 176.35 176.73 1s9c s PHE 145 N -1.24 2.83 0.00 0.29 5.36 0.43 -0.99 117.98 124.66 1s9c s PHE 145 Ca 0.34 -1.21 0.00 0.00 -0.96 0.00 0.00 56.93 55.10 1s9c s PHE 145 Cb -0.19 -1.96 0.00 0.00 -0.34 0.00 0.00 43.02 40.54 1s9c s PHE 145 CO 0.20 -0.60 0.00 0.45 -1.46 0.00 0.00 175.22 173.81 1s9c n SER 158 N 4.43 0.00 0.00 6.13 2.88 -1.26 0.93 113.62 126.73 1s9c n SER 158 Ca -0.19 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.35 1s9c n SER 158 Cb 0.51 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.97 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 0.00 0.08 -1.41 -3.46 5.75 -1.26 -4.68 116.55 111.57 1s9c n ASP 159 Ca 0.00 -0.38 0.05 0.00 -0.01 0.00 0.00 54.79 54.44 1s9c n ASP 159 Cb 0.00 0.50 0.27 0.00 -1.03 0.00 0.00 41.12 40.86 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 -0.50 3.55 -3.83 0.11 5.02 -1.26 -4.91 118.16 116.34 1s9c n LYS 160 Ca 0.00 -2.08 -0.33 0.00 -2.02 0.00 0.00 58.31 53.87 1s9c n LYS 160 Cb 0.01 -1.99 -0.05 0.00 -0.02 0.00 0.00 35.03 32.98 1s9c n LYS 160 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1s9c s VAL 161 N -2.14 5.35 -0.63 -0.18 1.01 -1.26 -4.95 120.40 117.59 1s9c s VAL 161 Ca 0.36 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 62.13 1s9c s VAL 161 Cb 0.27 -3.57 0.14 0.00 0.00 0.00 0.00 36.38 33.22 1s9c s VAL 161 CO 0.11 0.28 0.66 -0.54 0.00 0.00 0.00 175.10 175.61 1s9c s LYS 162 N -2.03 3.16 0.53 2.72 -0.14 -1.26 -5.04 119.74 117.68 1s9c s LYS 162 Ca 0.30 -1.71 -0.22 0.00 -1.36 0.00 0.00 55.97 52.97 1s9c s LYS 162 Cb -0.13 -4.35 -0.05 0.00 -1.68 0.00 0.00 37.83 31.62 1s9c s LYS 162 CO 0.20 -1.43 1.37 0.28 -0.76 0.00 0.00 175.35 175.01 1s9c n VAL 163 N 5.13 3.69 -1.88 3.17 0.31 -1.26 -5.00 118.33 122.49 1s9c n VAL 163 Ca -0.05 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.49 1s9c n VAL 163 Cb 0.43 -1.70 0.08 0.00 -0.91 0.00 0.00 33.84 31.75 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 -1.27 2.65 -0.02 3.52 0.00 -1.26 -5.01 121.76 120.37 1s9c s ALA 164 Ca 0.70 -0.59 0.02 0.00 0.00 0.00 0.00 51.96 52.09 1s9c s ALA 164 Cb -0.42 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1s9c s ALA 164 CO 0.50 -1.62 -0.06 0.08 0.00 0.00 0.00 175.76 174.66 1s9c s VAL 165 N -3.53 0.57 0.47 0.00 1.01 -0.34 -5.06 120.40 113.51 1s9c s VAL 165 Ca 0.61 -0.26 -0.23 0.00 0.00 0.00 0.00 61.98 62.11 1s9c s VAL 165 Cb -0.11 -0.51 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 1s9c s VAL 165 CO 0.50 0.18 1.23 0.00 0.00 0.00 0.00 175.10 177.01 1s9c s ALA 166 N 0.16 2.98 0.48 5.51 0.00 -1.26 -3.84 121.76 125.79 1s9c s ALA 166 Ca -0.02 1.08 -0.19 0.00 0.00 0.00 0.00 51.96 52.83 1s9c s ALA 166 Cb -0.07 -3.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.52 1s9c s ALA 166 CO -0.00 -0.85 0.97 0.96 0.00 0.00 0.00 175.76 176.84 1s9c s ILE 167 N -1.44 4.45 0.49 0.00 -4.36 -1.26 -5.00 121.20 114.08 1s9c s ILE 167 Ca 0.64 1.33 -0.23 0.00 -0.26 0.00 0.00 60.65 62.13 1s9c s ILE 167 Cb -0.33 -3.66 -0.08 0.00 1.25 0.00 0.00 42.46 39.64 1s9c s ILE 167 CO 0.40 -0.52 1.21 -2.65 0.24 0.00 0.00 174.94 173.62 1s9c n PRO 168 N -1.17 1.62 -2.46 0.37 -0.02 -1.26 -4.88 135.00 127.20 1s9c n PRO 168 Ca 0.07 0.59 -0.43 0.00 -2.02 0.00 0.00 63.50 61.71 1s9c n PRO 168 Cb 0.54 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 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 -0.24 5.04 -3.55 2.55 2.85 -1.26 -4.84 115.26 115.80 1s9c n ASN 169 Ca 0.09 -3.05 -0.08 0.00 -0.11 0.00 0.00 54.58 51.43 1s9c n ASN 169 Cb 0.42 -1.52 -0.03 0.00 1.24 0.00 0.00 39.78 39.89 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 1.01 0.62 0.51 1.20 1.70 -1.26 -5.14 118.95 117.58 1s9c s ARG 170 Ca 0.41 -0.12 -0.22 0.00 -0.47 0.00 0.00 55.73 55.33 1s9c s ARG 170 Cb 0.06 0.29 -0.07 0.00 -0.57 0.00 0.00 34.95 34.66 1s9c s ARG 170 CO 0.00 -0.25 1.18 -0.35 -1.08 0.00 0.00 175.30 174.80 1s9c n PRO 171 N 0.11 1.50 -1.67 3.89 -0.04 -1.26 -4.91 135.00 132.62 1s9c n PRO 171 Ca -0.07 0.55 -0.39 0.00 -0.04 0.00 0.00 63.50 63.55 1s9c n PRO 171 Cb 0.60 -2.33 0.04 0.00 -0.04 0.00 0.00 33.50 31.76 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 -0.54 1.37 0.11 0.54 -0.02 -1.26 -4.94 135.00 130.27 1s9c n PRO 172 Ca 0.10 0.51 -0.02 0.00 -2.02 0.00 0.00 63.50 62.06 1s9c n PRO 172 Cb 0.43 -2.30 0.07 0.00 -0.02 0.00 0.00 33.50 31.68 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 1.20 0.00 -4.59 2.55 3.32 -1.15 -3.47 116.42 114.29 1s9c h ASP 173 Ca -0.48 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1s9c h ASP 173 Cb 1.33 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.67 1s9c h ASP 173 CO 0.55 0.73 0.34 0.00 -1.72 0.00 0.00 179.24 179.15 1s9c s ALA 174 N -3.22 -1.84 -0.15 3.45 0.00 -0.95 -5.03 121.76 114.03 1s9c s ALA 174 Ca 0.00 1.45 -0.04 0.00 0.00 0.00 0.00 51.96 53.37 1s9c s ALA 174 Cb 0.11 -0.34 0.07 0.00 0.00 0.00 0.00 23.12 22.97 1s9c s ALA 174 CO 0.78 -0.34 0.23 0.54 0.00 0.00 0.00 175.76 176.96 1s9c s VAL 175 N -1.11 -0.35 0.00 0.00 0.11 -1.26 0.09 120.40 117.87 1s9c s VAL 175 Ca -0.07 0.16 0.01 0.00 -2.93 0.00 0.00 61.98 59.15 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 0.01 0.04 -0.76 -3.33 0.00 0.00 175.10 171.13 1s9c s LEU 176 N 2.36 3.70 0.10 2.54 1.43 -0.81 -4.92 118.68 123.08 1s9c s LEU 176 Ca 0.04 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.24 1s9c s LEU 176 Cb -0.13 -2.15 -0.04 0.00 0.03 0.00 0.00 46.19 43.90 1s9c s LEU 176 CO -0.09 0.27 0.04 0.42 0.23 0.00 0.00 176.35 177.22 1s9c s THR 177 N -1.15 4.21 -0.03 5.49 -4.23 -1.26 -0.84 115.64 117.83 1s9c s THR 177 Ca 0.21 -0.96 0.01 0.00 -1.18 0.00 0.00 61.69 59.77 1s9c s THR 177 Cb -0.12 -3.04 0.02 0.00 1.34 0.00 0.00 72.50 70.70 1s9c s THR 177 CO 0.12 0.08 -0.03 -1.81 -0.54 0.00 0.00 174.62 172.44 1s9c s ASP 178 N -2.47 0.65 -0.28 3.99 1.11 0.43 -4.99 116.67 115.12 1s9c s ASP 178 Ca 0.28 -0.08 -0.17 0.00 0.18 0.00 0.00 52.55 52.76 1s9c s ASP 178 Cb -0.11 -0.27 -0.03 0.00 1.07 0.00 0.00 42.92 43.58 1s9c s ASP 178 CO 0.20 -0.04 0.45 -0.89 1.18 0.00 0.00 175.17 176.07 1s9c s THR 179 N 0.68 5.11 0.37 -1.27 2.01 -1.26 0.43 115.64 121.72 1s9c s THR 179 Ca -0.08 0.61 -0.24 0.00 0.31 0.00 0.00 61.69 62.29 1s9c s THR 179 Cb -0.11 -3.80 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 1s9c s THR 179 CO -0.01 0.05 0.97 -0.89 -0.69 0.00 0.00 174.62 174.06 1s9c s THR 180 N 2.21 4.13 0.46 -0.82 2.01 -0.30 -4.98 115.64 118.35 1s9c s THR 180 Ca 0.18 1.60 -0.13 0.00 0.31 0.00 0.00 61.69 63.64 1s9c s THR 180 Cb -0.16 -3.81 -0.07 0.00 0.01 0.00 0.00 72.50 68.48 1s9c s THR 180 CO 0.10 -0.02 0.88 -0.55 -0.69 0.00 0.00 174.62 174.34 1s9c s SER 181 N -1.76 6.55 0.62 3.53 0.15 -1.26 -3.29 113.70 118.24 1s9c s SER 181 Ca 0.56 1.34 0.39 0.00 0.70 0.00 0.00 55.95 58.94 1s9c s SER 181 Cb -0.17 -2.41 1.99 0.00 -1.71 0.00 0.00 66.02 63.72 1s9c s SER 181 CO 0.22 -0.50 2.22 0.25 1.20 0.00 0.00 173.24 176.63 1s9c h LEU 182 N 1.04 0.00 -3.00 3.45 5.85 -1.90 -1.39 115.31 119.35 1s9c h LEU 182 Ca -0.47 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.25 1s9c h LEU 182 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 1s9c h LEU 182 CO 0.63 0.01 0.00 0.59 -0.34 0.00 0.00 178.44 179.33 1s9c n ASN 183 N -3.16 3.44 -0.18 1.25 3.02 -1.26 -4.71 115.26 113.66 1s9c n ASN 183 Ca -0.02 -2.30 -0.03 0.00 -0.03 0.00 0.00 54.58 52.20 1s9c n ASN 183 Cb 0.16 -0.36 0.04 0.00 -0.61 0.00 0.00 39.78 39.00 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 2.35 -0.07 -0.57 3.52 5.75 -1.65 -0.18 115.11 124.26 1s9c h GLN 184 Ca 0.00 0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 1s9c h GLN 184 Cb 1.01 0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.55 1s9c h GLN 184 CO 0.08 -0.05 0.20 0.00 -2.65 0.00 0.00 178.83 176.41 1s9c h ALA 185 N 1.34 0.74 -0.37 3.38 0.00 -1.84 0.50 119.26 123.01 1s9c h ALA 185 Ca 0.26 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.08 1s9c h ALA 185 Cb 0.48 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1s9c h ALA 185 CO -0.61 0.38 0.26 0.00 0.00 0.00 0.00 179.25 179.28 1s9c h ALA 186 N 1.06 2.23 0.04 0.00 0.00 -1.35 -1.34 119.26 119.91 1s9c h ALA 186 Ca 0.19 -0.01 -0.27 0.00 0.00 0.00 0.00 54.91 54.82 1s9c h ALA 186 Cb 0.24 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1s9c h ALA 186 CO -0.01 -0.32 -1.44 1.25 0.00 0.00 0.00 179.25 178.73 1s9c h LEU 187 N 0.09 0.15 -1.45 0.00 5.85 -0.70 -3.38 115.31 115.88 1s9c h LEU 187 Ca 0.17 -0.67 0.03 0.00 0.84 0.00 0.00 57.88 58.25 1s9c h LEU 187 Cb 0.57 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 1s9c h LEU 187 CO -0.02 1.59 0.40 0.22 -0.34 0.00 0.00 178.44 180.30 1s9c h TYR 188 N -0.65 0.70 0.00 1.25 3.20 -0.71 -1.66 116.97 119.09 1s9c h TYR 188 Ca -0.36 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.53 1s9c h TYR 188 Cb 1.54 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 39.57 1s9c h TYR 188 CO 0.10 0.41 -0.02 0.07 -1.64 0.00 0.00 178.16 177.08 1s9c h ARG 189 N 0.72 0.00 0.00 1.82 0.11 -1.42 -0.68 114.38 114.93 1s9c h ARG 189 Ca 0.24 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.32 1s9c h ARG 189 Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 1s9c h ARG 189 CO -0.06 0.02 0.00 1.28 0.10 0.00 0.00 179.97 181.30 1s9c n LEU 190 N -4.18 0.00 -1.16 0.08 4.77 -0.62 -0.78 117.00 115.10 1s9c n LEU 190 Ca -0.03 0.27 0.09 0.00 -0.03 0.00 0.00 56.01 56.31 1s9c n LEU 190 Cb 0.10 -0.27 0.27 0.00 -2.33 0.00 0.00 43.42 41.19 1s9c n LEU 190 CO 0.31 -0.26 0.73 -1.20 -1.33 0.00 0.00 177.39 175.63 1s9c n SER 191 N -1.27 3.39 0.00 -1.43 7.64 -0.26 -4.96 113.62 116.73 1s9c n SER 191 Ca 0.00 -2.09 0.00 0.00 1.01 0.00 0.00 58.87 57.79 1s9c n SER 191 Cb 0.01 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 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 1.33 3.71 3.55 0.23 0.00 0.03 -4.99 105.19 109.06 1s9c n GLY 192 Ca 0.20 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 45.03 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 6.09 -0.07 1.61 -1.08 -1.23 -4.84 116.67 117.15 1s9c s ASP 193 Ca 0.00 -0.43 0.12 0.00 -0.52 0.00 0.00 52.55 51.72 1s9c s ASP 193 Cb 0.00 -2.56 0.47 0.00 -1.46 0.00 0.00 42.92 39.37 1s9c s ASP 193 CO 0.00 -1.88 1.33 0.79 0.52 0.00 0.00 175.17 175.93 1s9c n TRP 194 N 9.69 0.98 -1.67 -5.34 7.02 -1.26 -4.55 117.44 122.30 1s9c n TRP 194 Ca 0.06 -0.39 -0.55 0.00 -1.02 0.00 0.00 57.50 55.60 1s9c n TRP 194 Cb 0.49 -0.18 -0.07 0.00 -2.42 0.00 0.00 31.31 29.14 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 0.65 2.21 0.30 -0.99 2.85 -1.26 -4.79 115.26 114.24 1s9c n ASN 195 Ca 0.17 1.08 0.19 0.00 -0.11 0.00 0.00 54.58 55.91 1s9c n ASN 195 Cb 0.62 -1.17 1.02 0.00 1.24 0.00 0.00 39.78 41.49 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 6.44 0.00 -0.23 1.20 0.11 -1.96 -2.18 132.00 135.37 1s9c h PRO 196 Ca -0.47 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.71 1s9c h PRO 196 Cb 1.32 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.42 1s9c h PRO 196 CO 0.90 0.00 0.25 1.25 -0.21 0.00 0.00 178.00 180.19 1s9c h LEU 197 N 0.00 0.00 -2.03 2.35 5.85 -1.86 0.40 115.31 120.02 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 0.14 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.17 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 -3.80 0.43 0.00 1.25 8.25 -0.82 -2.79 115.22 117.74 1s9c n HIS 198 Ca 0.03 -0.21 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1s9c n HIS 198 Cb 0.39 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.50 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 1.22 0.00 -2.88 1.59 3.06 -0.48 -4.58 119.36 117.29 1s9c n ILE 199 Ca 0.18 0.00 -0.42 0.00 -2.50 0.00 0.00 62.75 60.01 1s9c n ILE 199 Cb 0.54 0.00 -0.04 0.00 0.54 0.00 0.00 39.64 40.68 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 -0.74 6.68 0.07 9.51 -1.08 0.13 -4.90 116.67 126.33 1s9c s ASP 200 Ca 0.00 0.64 -0.35 0.00 -0.52 0.00 0.00 52.55 52.33 1s9c s ASP 200 Cb 0.00 -2.43 -0.19 0.00 -1.46 0.00 0.00 42.92 38.84 1s9c s ASP 200 CO 0.00 -0.72 1.60 -0.65 0.52 0.00 0.00 175.17 175.93 1s9c h PRO 201 N 8.25 -1.01 -0.51 4.34 0.11 -1.95 0.14 132.00 141.37 1s9c h PRO 201 Ca -0.24 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1s9c h PRO 201 Cb 1.09 0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.40 1s9c h PRO 201 CO 0.93 -0.67 0.33 -0.97 -0.21 0.00 0.00 178.00 177.40 1s9c h ASN 202 N -1.05 0.59 -0.70 -2.05 -1.24 -1.97 0.58 115.58 109.74 1s9c h ASN 202 Ca -0.10 -0.03 0.05 0.00 0.71 0.00 0.00 56.30 56.94 1s9c h ASN 202 Cb 0.82 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 39.68 1s9c h ASN 202 CO 0.15 0.44 0.46 0.15 -1.29 0.00 0.00 177.43 177.34 1s9c h PHE 203 N 0.69 0.75 -0.22 0.67 3.04 -1.86 -0.76 116.94 119.25 1s9c h PHE 203 Ca 0.19 0.02 -0.20 0.00 3.98 0.00 0.00 57.97 61.96 1s9c h PHE 203 Cb -0.06 -0.25 0.00 0.00 2.56 0.00 0.00 35.95 38.21 1s9c h PHE 203 CO -0.04 0.41 -0.64 0.00 -2.02 0.00 0.00 178.31 176.02 1s9c h ALA 204 N 1.61 0.44 -0.30 2.41 0.00 0.44 -2.58 119.26 121.28 1s9c h ALA 204 Ca 0.29 -0.55 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1s9c h ALA 204 Cb 0.20 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1s9c h ALA 204 CO -0.09 0.69 0.06 1.03 0.00 0.00 0.00 179.25 180.93 1s9c h SER 205 N 0.58 0.47 0.17 0.00 0.87 -0.13 0.33 113.55 115.84 1s9c h SER 205 Ca -0.01 -0.25 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 1s9c h SER 205 Cb 1.25 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.08 1s9c h SER 205 CO 0.14 0.60 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.88 1s9c h LEU 206 N 0.32 0.00 0.00 2.23 3.38 -1.22 0.34 115.31 120.36 1s9c h LEU 206 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1s9c h LEU 206 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1s9c h LEU 206 CO 0.00 0.09 -0.08 0.00 0.09 0.00 0.00 178.44 178.54 1s9c n ALA 207 N -2.39 2.41 0.00 1.53 0.00 -0.70 -4.94 120.51 116.42 1s9c n ALA 207 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1s9c n ALA 207 Cb 0.18 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 1.38 1.09 3.67 0.00 0.00 0.12 -5.06 105.19 106.39 1s9c n GLY 208 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.74 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 3.11 0.52 1.61 0.08 0.89 -4.93 117.98 117.26 1s9c s PHE 209 Ca 0.00 0.14 0.26 0.00 0.12 0.00 0.00 56.93 57.44 1s9c s PHE 209 Cb 0.00 -1.74 1.38 0.00 -0.57 0.00 0.00 43.02 42.09 1s9c s PHE 209 CO 0.00 0.45 1.96 -0.44 -0.10 0.00 0.00 175.22 177.09 1s9c h ASP 210 N 4.90 0.04 -4.54 1.36 5.19 -1.94 -3.25 116.42 118.19 1s9c h ASP 210 Ca -0.50 0.00 0.09 0.00 -0.62 0.00 0.00 57.03 56.01 1s9c h ASP 210 Cb 1.18 -0.01 -0.17 0.00 0.18 0.00 0.00 39.33 40.52 1s9c h ASP 210 CO 0.55 0.02 0.49 -1.59 -3.12 0.00 0.00 179.24 175.59 1s9c s LYS 211 N -5.05 0.78 0.46 3.56 -2.85 -1.26 -4.95 119.74 110.44 1s9c s LYS 211 Ca -0.05 -0.16 -0.20 0.00 -1.00 0.00 0.00 55.97 54.55 1s9c s LYS 211 Cb 0.20 0.36 -0.13 0.00 -2.06 0.00 0.00 37.83 36.21 1s9c s LYS 211 CO 0.75 -0.32 0.30 -2.30 0.10 0.00 0.00 175.35 173.87 1s9c n PRO 212 N 0.05 0.30 -4.18 1.78 -0.02 -1.26 -4.97 135.00 126.70 1s9c n PRO 212 Ca -0.10 0.11 -0.25 0.00 -2.02 0.00 0.00 63.50 61.25 1s9c n PRO 212 Cb 0.61 -1.32 -0.06 0.00 -0.02 0.00 0.00 33.50 32.70 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 -1.68 3.97 0.38 4.25 -4.36 -1.12 -4.51 121.20 118.13 1s9c s ILE 213 Ca 0.62 -1.47 -0.24 0.00 -0.26 0.00 0.00 60.65 59.30 1s9c s ILE 213 Cb -0.56 -3.07 -0.10 0.00 1.25 0.00 0.00 42.46 39.99 1s9c s ILE 213 CO 0.60 -0.23 0.99 -0.22 0.24 0.00 0.00 174.94 176.33 1s9c s LEU 214 N -3.36 4.18 0.28 0.37 2.96 0.97 -4.18 118.68 119.91 1s9c s LEU 214 Ca 0.30 1.91 -0.30 0.00 -0.22 0.00 0.00 54.13 55.82 1s9c s LEU 214 Cb -0.08 -4.18 -0.12 0.00 0.50 0.00 0.00 46.19 42.30 1s9c s LEU 214 CO 0.21 -0.32 1.55 1.41 -1.32 0.00 0.00 176.35 177.88 1s9c n HIS 215 N 0.06 2.69 -0.22 5.38 8.25 -1.26 -4.64 115.22 125.48 1s9c n HIS 215 Ca 0.04 0.30 -0.02 0.00 -0.26 0.00 0.00 57.72 57.79 1s9c n HIS 215 Cb 0.50 -2.56 0.09 0.00 1.12 0.00 0.00 29.99 29.14 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 4.60 0.93 2.00 -1.41 0.00 -1.98 -0.66 103.07 106.55 1s9c h GLY 216 Ca -0.46 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1s9c h GLY 216 CO 0.78 0.14 0.00 1.41 0.00 0.00 0.00 176.54 178.87 1s9c h LEU 217 N 0.64 0.00 0.01 3.11 3.38 -1.98 -2.07 115.31 118.39 1s9c h LEU 217 Ca 0.29 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 1s9c h LEU 217 Cb 0.19 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1s9c h LEU 217 CO -0.19 0.00 -0.26 0.00 0.09 0.00 0.00 178.44 178.09 1s9c h THR 219 N -0.55 1.07 -0.29 0.00 2.02 -1.32 -0.61 112.91 113.22 1s9c h THR 219 Ca -0.03 -0.31 0.05 0.00 0.77 0.00 0.00 66.41 66.89 1s9c h THR 219 Cb 1.04 0.09 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 1s9c h THR 219 CO 0.05 0.16 0.01 0.15 0.37 0.00 0.00 175.52 176.27 1s9c h PHE 220 N 0.90 0.01 -0.95 3.16 3.57 -1.37 -0.74 116.94 121.53 1s9c h PHE 220 Ca 0.32 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.87 1s9c h PHE 220 Cb 0.08 0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.81 1s9c h PHE 220 CO -0.04 -0.03 0.62 0.78 -2.23 0.00 0.00 178.31 177.40 1s9c h GLY 221 N 0.10 1.38 0.54 2.40 0.00 0.29 -0.46 103.07 107.33 1s9c h GLY 221 Ca 0.14 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1s9c h GLY 221 CO -0.22 0.41 -0.29 0.74 0.00 0.00 0.00 176.54 177.17 1s9c h PHE 222 N 1.20 -0.78 -0.61 5.60 -1.00 -0.03 0.15 116.94 121.47 1s9c h PHE 222 Ca 0.37 -0.01 0.09 0.00 2.81 0.00 0.00 57.97 61.23 1s9c h PHE 222 Cb -0.01 0.27 -0.07 0.00 3.61 0.00 0.00 35.95 39.75 1s9c h PHE 222 CO -0.01 -0.46 0.25 0.77 -1.61 0.00 0.00 178.31 177.26 1s9c h SER 223 N -0.77 0.29 -0.72 2.17 0.02 -1.10 -0.52 113.55 112.92 1s9c h SER 223 Ca -0.07 0.07 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1s9c h SER 223 Cb 0.60 0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 1s9c h SER 223 CO 0.10 0.18 0.47 0.00 -1.14 0.00 0.00 176.83 176.44 1s9c h ALA 224 N 1.40 0.92 -0.68 3.77 0.00 -1.03 -0.12 119.26 123.52 1s9c h ALA 224 Ca 0.30 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.16 1s9c h ALA 224 Cb 0.34 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1s9c h ALA 224 CO -0.28 0.32 0.41 -0.09 0.00 0.00 0.00 179.25 179.61 1s9c h ARG 225 N 0.97 0.91 -0.14 0.00 2.43 0.78 -1.40 114.38 117.93 1s9c h ARG 225 Ca 0.27 -0.08 -0.07 0.00 -0.81 0.00 0.00 59.98 59.29 1s9c h ARG 225 Cb -0.10 -0.19 -0.00 0.00 -0.42 0.00 0.00 29.97 29.26 1s9c h ARG 225 CO -0.06 0.64 -0.19 0.00 -1.51 0.00 0.00 179.97 178.85 1s9c h ARG 226 N 0.93 0.37 -0.69 0.20 2.47 -0.41 -2.52 114.38 114.74 1s9c h ARG 226 Ca 0.24 -0.21 0.07 0.00 -1.26 0.00 0.00 59.98 58.82 1s9c h ARG 226 Cb -0.03 0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.24 1s9c h ARG 226 CO -0.05 0.79 0.37 0.28 0.56 0.00 0.00 179.97 181.93 1s9c h VAL 227 N -0.02 0.94 -0.70 2.04 2.07 -0.74 0.17 116.25 120.01 1s9c h VAL 227 Ca 0.02 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.38 1s9c h VAL 227 Cb 0.74 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 30.66 1s9c h VAL 227 CO 0.04 0.12 0.38 0.25 0.02 0.00 0.00 177.57 178.38 1s9c h LEU 228 N 0.68 0.53 0.00 2.57 5.85 -1.17 -0.66 115.31 123.11 1s9c h LEU 228 Ca 0.31 0.04 -0.14 0.00 0.84 0.00 0.00 57.88 58.94 1s9c h LEU 228 Cb 0.23 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1s9c h LEU 228 CO -0.20 0.32 -0.82 0.06 -0.34 0.00 0.00 178.44 177.46 1s9c h GLN 229 N 0.66 0.00 0.22 1.25 3.07 -0.89 -1.90 115.11 117.53 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 0.28 0.00 0.03 0.00 0.08 0.00 0.00 27.48 27.86 1s9c h GLN 229 CO -0.22 0.50 -1.60 0.37 0.09 0.00 0.00 178.83 177.96 1s9c h GLN 230 N 0.00 0.47 -0.13 0.06 5.75 -0.34 -3.33 115.11 117.58 1s9c h GLN 230 Ca -0.05 -0.81 0.00 0.00 -0.15 0.00 0.00 58.65 57.64 1s9c h GLN 230 Cb 1.49 0.30 0.00 0.00 1.07 0.00 0.00 27.48 30.34 1s9c h GLN 230 CO 0.07 1.38 0.00 1.19 -2.65 0.00 0.00 178.83 178.82 1s9c n PHE 231 N -3.65 0.22 -1.59 3.99 3.72 -0.28 -4.67 117.46 115.18 1s9c n PHE 231 Ca -0.20 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 56.62 1s9c n PHE 231 Cb 1.09 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 39.56 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 -0.26 1.39 -3.96 4.37 0.00 -1.02 -5.02 120.51 116.01 1s9c n ALA 232 Ca 0.07 -0.46 -0.29 0.00 0.00 0.00 0.00 53.44 52.76 1s9c n ALA 232 Cb 0.39 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.72 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 -2.74 -1.78 0.00 8.00 -1.15 -0.93 116.55 117.95 1s9c n ASP 233 Ca 0.00 -0.89 -0.12 0.00 0.71 0.00 0.00 54.79 54.49 1s9c n ASP 233 Cb 0.55 -3.46 -0.03 0.00 -0.02 0.00 0.00 41.12 38.16 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 -2.87 -3.31 -4.47 -2.24 5.03 -0.75 -4.84 115.26 101.82 1s9c n ASN 234 Ca -0.10 0.26 -0.44 0.00 0.87 0.00 0.00 54.58 55.18 1s9c n ASN 234 Cb 0.58 -3.01 -0.02 0.00 -1.02 0.00 0.00 39.78 36.32 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 -2.00 6.73 0.42 6.41 -1.08 -0.10 -4.86 116.67 122.18 1s9c s ASP 235 Ca 0.00 -2.23 0.28 0.00 -0.52 0.00 0.00 52.55 50.08 1s9c s ASP 235 Cb 0.00 -2.42 1.42 0.00 -1.46 0.00 0.00 42.92 40.46 1s9c s ASP 235 CO 0.00 -1.03 1.59 0.58 0.52 0.00 0.00 175.17 176.83 1s9c h VAL 236 N 5.63 0.05 0.00 1.11 2.07 -1.88 0.14 116.25 123.36 1s9c h VAL 236 Ca 0.21 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 1s9c h VAL 236 Cb 0.98 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1s9c h VAL 236 CO 1.18 0.01 -0.08 0.77 0.02 0.00 0.00 177.57 179.47 1s9c h SER 237 N 0.04 0.00 0.37 0.57 4.64 -1.96 -2.33 113.55 114.88 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 2.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.66 1s9c h SER 237 CO -0.54 0.08 -0.17 0.54 -0.87 0.00 0.00 176.83 175.87 1s9c n ARG 238 N -3.78 0.65 -2.70 4.77 1.74 0.48 -4.72 116.66 113.10 1s9c n ARG 238 Ca -0.02 -0.27 -0.42 0.00 -0.77 0.00 0.00 57.85 56.37 1s9c n ARG 238 Cb 0.18 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.09 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 -2.54 2.47 -0.19 -1.55 2.19 -0.88 -2.05 117.98 115.43 1s9c s PHE 239 Ca 0.26 -0.30 -0.23 0.00 0.33 0.00 0.00 56.93 56.99 1s9c s PHE 239 Cb 0.20 -4.47 -0.21 0.00 -1.31 0.00 0.00 43.02 37.23 1s9c s PHE 239 CO 0.50 -1.87 0.33 0.87 1.83 0.00 0.00 175.22 176.88 1s9c h LYS 240 N 9.80 0.01 -2.80 10.12 1.57 -1.46 -3.42 116.57 130.39 1s9c h LYS 240 Ca -0.27 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1s9c h LYS 240 Cb 1.06 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 33.24 1s9c h LYS 240 CO 1.24 1.01 0.25 0.00 -0.57 0.00 0.00 179.45 181.37 1s9c s ALA 241 N -2.34 -1.65 -0.01 3.86 0.00 -1.16 -0.17 121.76 120.29 1s9c s ALA 241 Ca -0.27 0.64 -0.05 0.00 0.00 0.00 0.00 51.96 52.29 1s9c s ALA 241 Cb 0.04 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.89 1s9c s ALA 241 CO 0.62 -0.72 0.10 0.14 0.00 0.00 0.00 175.76 175.90 1s9c s VAL 242 N -3.41 0.06 -0.01 0.00 -7.23 -0.15 0.10 120.40 109.75 1s9c s VAL 242 Ca 0.00 -0.47 0.02 0.00 -1.81 0.00 0.00 61.98 59.72 1s9c s VAL 242 Cb -0.01 -0.31 0.00 0.00 0.56 0.00 0.00 36.38 36.63 1s9c s VAL 242 CO -0.10 -0.26 -0.05 -0.75 -0.31 0.00 0.00 175.10 173.63 1s9c s LYS 243 N -0.86 0.52 0.00 4.82 2.47 -0.39 -1.70 119.74 124.60 1s9c s LYS 243 Ca -0.09 -0.16 -0.15 0.00 -1.56 0.00 0.00 55.97 54.00 1s9c s LYS 243 Cb -0.05 -0.52 0.02 0.00 -1.46 0.00 0.00 37.83 35.81 1s9c s LYS 243 CO 0.01 0.06 0.32 0.00 0.16 0.00 0.00 175.35 175.90 1s9c s ALA 244 N 0.16 -0.79 -0.09 3.13 0.00 -0.91 -0.99 121.76 122.27 1s9c s ALA 244 Ca -0.02 0.27 0.04 0.00 0.00 0.00 0.00 51.96 52.25 1s9c s ALA 244 Cb -0.06 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 1s9c s ALA 244 CO -0.00 -0.30 -0.21 0.50 0.00 0.00 0.00 175.76 175.74 1s9c s ARG 245 N -1.64 2.99 0.06 0.00 3.52 -0.84 -2.22 118.95 120.82 1s9c s ARG 245 Ca -0.11 -0.83 -0.21 0.00 -0.13 0.00 0.00 55.73 54.44 1s9c s ARG 245 Cb -0.04 -2.35 -0.06 0.00 -1.56 0.00 0.00 34.95 30.94 1s9c s ARG 245 CO 0.02 0.25 0.63 -0.06 -0.81 0.00 0.00 175.30 175.33 1s9c s PHE 246 N 0.18 3.77 0.00 5.12 0.08 -0.76 -0.49 117.98 125.88 1s9c s PHE 246 Ca -0.13 1.32 0.00 0.00 0.12 0.00 0.00 56.93 58.24 1s9c s PHE 246 Cb -0.16 -2.61 0.00 0.00 -0.57 0.00 0.00 43.02 39.68 1s9c s PHE 246 CO 0.07 0.47 0.00 0.00 -0.10 0.00 0.00 175.22 175.65 1s9c n ALA 247 N 2.16 0.00 -1.14 5.36 0.00 0.12 -4.89 120.51 122.12 1s9c n ALA 247 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 1s9c n ALA 247 Cb 0.50 0.00 0.12 0.00 0.00 0.00 0.00 19.45 20.07 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 3.55 1.78 0.82 0.00 1.02 -0.98 -4.93 119.74 121.00 1s9c s LYS 248 Ca 0.00 1.65 -0.11 0.00 0.02 0.00 0.00 55.97 57.53 1s9c s LYS 248 Cb 0.00 -1.80 0.09 0.00 -0.52 0.00 0.00 37.83 35.59 1s9c s LYS 248 CO 0.00 -2.08 1.09 -2.14 -0.92 0.00 0.00 175.35 171.30 1s9c s PRO 249 N -4.23 1.85 -0.03 -1.68 0.02 -1.26 -4.36 135.00 125.32 1s9c s PRO 249 Ca 0.71 0.99 0.04 0.00 0.02 0.00 0.00 61.00 62.76 1s9c s PRO 249 Cb -0.26 -1.86 -0.00 0.00 0.02 0.00 0.00 34.50 32.39 1s9c s PRO 249 CO 0.50 -1.87 -0.13 0.08 -0.33 0.00 0.00 177.00 175.25 1s9c s VAL 250 N -2.93 1.10 -0.15 3.83 1.01 -1.26 -4.92 120.40 117.07 1s9c s VAL 250 Ca 0.62 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 62.01 1s9c s VAL 250 Cb -0.17 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 1s9c s VAL 250 CO 0.56 0.32 -0.03 -0.31 0.00 0.00 0.00 175.10 175.65 1s9c s TYR 251 N 0.00 3.04 -0.29 5.22 1.51 -1.26 -0.02 117.35 125.56 1s9c s TYR 251 Ca -0.01 -0.24 -0.42 0.00 -1.01 0.00 0.00 57.07 55.38 1s9c s TYR 251 Cb -0.09 -1.95 -0.18 0.00 -0.11 0.00 0.00 41.96 39.63 1s9c s TYR 251 CO 0.01 0.01 1.55 -2.30 -1.11 0.00 0.00 175.55 173.71 1s9c n PRO 252 N 3.42 0.53 0.00 -1.71 -0.02 -1.26 -0.64 135.00 135.32 1s9c n PRO 252 Ca -0.17 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1s9c n PRO 252 Cb 0.52 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 32.23 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 3.54 1.20 3.53 -1.23 0.00 -0.75 -4.56 105.19 106.92 1s9c n GLY 253 Ca 0.26 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.86 -0.19 1.61 -0.21 0.19 -4.24 119.66 115.96 1s9c s GLN 254 Ca 0.00 0.55 -0.02 0.00 0.02 0.00 0.00 55.36 55.90 1s9c s GLN 254 Cb 0.00 -1.58 -0.01 0.00 1.00 0.00 0.00 33.01 32.42 1s9c s GLN 254 CO 0.00 -3.61 -0.08 0.99 -2.12 0.00 0.00 175.29 170.47 1s9c s THR 255 N -2.64 3.16 0.36 -0.19 2.01 -1.26 -1.15 115.64 115.93 1s9c s THR 255 Ca 0.68 -0.58 -0.23 0.00 0.31 0.00 0.00 61.69 61.86 1s9c s THR 255 Cb -0.20 -2.40 -0.10 0.00 0.01 0.00 0.00 72.50 69.80 1s9c s THR 255 CO 0.61 0.47 0.93 -0.76 -0.69 0.00 0.00 174.62 175.17 1s9c s LEU 256 N 1.10 4.17 -0.28 4.42 1.43 0.17 -1.13 118.68 128.56 1s9c s LEU 256 Ca 0.01 1.73 -0.01 0.00 -1.03 0.00 0.00 54.13 54.83 1s9c s LEU 256 Cb -0.15 -4.20 0.09 0.00 0.03 0.00 0.00 46.19 41.96 1s9c s LEU 256 CO -0.02 -0.18 0.06 -1.58 0.23 0.00 0.00 176.35 174.86 1s9c s GLN 257 N -2.53 0.86 -0.42 1.70 0.74 0.52 -0.43 119.66 120.10 1s9c s GLN 257 Ca 0.55 -0.97 -0.17 0.00 0.05 0.00 0.00 55.36 54.82 1s9c s GLN 257 Cb -0.14 -2.16 0.02 0.00 1.10 0.00 0.00 33.01 31.83 1s9c s GLN 257 CO 0.19 -0.86 0.44 0.99 -0.55 0.00 0.00 175.29 175.51 1s9c s THR 258 N 1.60 5.08 -0.11 -0.34 2.01 -0.02 -0.61 115.64 123.25 1s9c s THR 258 Ca 0.05 -0.35 -0.18 0.00 0.31 0.00 0.00 61.69 61.52 1s9c s THR 258 Cb -0.18 -4.05 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1s9c s THR 258 CO -0.18 -0.44 0.47 -1.61 -0.69 0.00 0.00 174.62 172.17 1s9c s GLU 259 N 2.15 4.32 0.04 4.92 2.02 0.92 -1.93 118.70 131.15 1s9c s GLU 259 Ca 0.12 0.45 0.06 0.00 0.02 0.00 0.00 54.97 55.62 1s9c s GLU 259 Cb -0.17 -3.42 -0.02 0.00 0.10 0.00 0.00 34.13 30.61 1s9c s GLU 259 CO 0.14 0.19 -0.18 -1.64 0.02 0.00 0.00 175.26 173.78 1s9c s MET 260 N 0.51 1.24 -0.11 1.61 -1.94 0.11 -1.09 119.30 119.64 1s9c s MET 260 Ca 0.26 -0.85 0.00 0.00 -1.71 0.00 0.00 55.69 53.39 1s9c s MET 260 Cb -0.15 -1.31 0.02 0.00 2.01 0.00 0.00 34.83 35.40 1s9c s MET 260 CO 0.10 0.33 -0.09 -1.58 -0.01 0.00 0.00 175.02 173.77 1s9c s TRP 261 N -0.78 1.57 -0.26 -0.03 0.51 0.36 -0.51 118.94 119.81 1s9c s TRP 261 Ca 0.06 -0.76 -0.17 0.00 -2.12 0.00 0.00 56.10 53.10 1s9c s TRP 261 Cb -0.08 -1.25 -0.03 0.00 -0.81 0.00 0.00 33.47 31.30 1s9c s TRP 261 CO 0.01 -0.49 0.48 0.21 -0.51 0.00 0.00 176.95 176.65 1s9c s LYS 262 N 1.47 4.07 -0.59 4.98 2.20 -1.26 -0.36 119.74 130.24 1s9c s LYS 262 Ca 0.01 0.26 0.04 0.00 -0.36 0.00 0.00 55.97 55.92 1s9c s LYS 262 Cb -0.13 -3.64 0.17 0.00 -1.51 0.00 0.00 37.83 32.71 1s9c s LYS 262 CO -0.06 -0.31 0.43 -1.21 -0.36 0.00 0.00 175.35 173.83 1s9c s GLU 263 N 2.18 1.89 7.71 4.03 0.41 -0.44 -5.01 118.70 129.48 1s9c s GLU 263 Ca 0.20 -2.87 0.00 0.00 -0.41 0.00 0.00 54.97 51.89 1s9c s GLU 263 Cb -0.16 -2.72 0.00 0.00 -1.78 0.00 0.00 34.13 29.47 1s9c s GLU 263 CO 0.09 -1.31 0.00 0.41 -0.49 0.00 0.00 175.26 173.96 1s9c n GLY 264 N 2.36 2.33 1.07 -1.39 0.00 -1.26 -2.63 105.19 105.67 1s9c n GLY 264 Ca 0.22 -0.39 0.12 0.00 0.00 0.00 0.00 46.02 45.97 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 8.58 3.21 -4.40 1.61 5.03 -1.26 -4.85 115.26 123.18 1s9c n ASN 265 Ca 0.00 -1.96 -0.35 0.00 0.87 0.00 0.00 54.58 53.14 1s9c n ASN 265 Cb 0.00 -0.20 -0.13 0.00 -1.02 0.00 0.00 39.78 38.43 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 -1.59 3.53 -0.42 3.52 3.52 -1.08 0.00 118.95 126.44 1s9c s ARG 266 Ca 0.37 -0.55 -0.13 0.00 -0.13 0.00 0.00 55.73 55.29 1s9c s ARG 266 Cb 0.22 -3.08 0.04 0.00 -1.56 0.00 0.00 34.95 30.57 1s9c s ARG 266 CO 0.31 -0.09 0.29 0.42 -0.81 0.00 0.00 175.30 175.42 1s9c s ILE 267 N 1.24 4.88 0.39 4.11 -1.09 -0.50 -1.32 121.20 128.91 1s9c s ILE 267 Ca 0.03 -0.94 -0.23 0.00 -2.23 0.00 0.00 60.65 57.28 1s9c s ILE 267 Cb -0.15 -3.81 -0.10 0.00 -1.58 0.00 0.00 42.46 36.83 1s9c s ILE 267 CO 0.01 -0.38 0.98 -1.00 -1.23 0.00 0.00 174.94 173.31 1s9c s HIS 268 N 1.59 3.41 0.05 3.97 3.76 0.52 -1.80 115.29 126.79 1s9c s HIS 268 Ca 0.03 1.68 -0.17 0.00 -0.15 0.00 0.00 55.06 56.45 1s9c s HIS 268 Cb -0.21 -2.97 0.03 0.00 1.11 0.00 0.00 32.58 30.55 1s9c s HIS 268 CO 0.07 -0.19 0.38 -0.59 -0.85 0.00 0.00 174.74 173.56 1s9c s PHE 269 N -1.83 -0.22 0.02 1.40 -0.71 -0.35 -0.48 117.98 115.81 1s9c s PHE 269 Ca 0.57 0.12 0.01 0.00 -1.04 0.00 0.00 56.93 56.60 1s9c s PHE 269 Cb -0.16 0.19 -0.02 0.00 -1.21 0.00 0.00 43.02 41.82 1s9c s PHE 269 CO 0.21 -0.57 -0.05 -1.14 -1.34 0.00 0.00 175.22 172.33 1s9c s GLN 270 N -2.64 0.39 -0.05 1.99 0.74 -0.25 -2.58 119.66 117.26 1s9c s GLN 270 Ca -0.04 -0.55 0.04 0.00 0.05 0.00 0.00 55.36 54.85 1s9c s GLN 270 Cb -0.00 -0.16 0.00 0.00 1.10 0.00 0.00 33.01 33.95 1s9c s GLN 270 CO -0.04 0.02 -0.16 0.99 -0.55 0.00 0.00 175.29 175.56 1s9c s THR 271 N -1.08 1.35 0.43 -0.34 2.01 -0.18 -0.05 115.64 117.78 1s9c s THR 271 Ca -0.09 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.29 1s9c s THR 271 Cb -0.08 -1.17 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 1s9c s THR 271 CO -0.00 0.39 0.07 -0.54 -0.69 0.00 0.00 174.62 173.86 1s9c s LYS 272 N 0.20 1.99 -0.38 4.92 1.02 0.22 -0.38 119.74 127.33 1s9c s LYS 272 Ca -0.07 -2.22 0.01 0.00 0.02 0.00 0.00 55.97 53.71 1s9c s LYS 272 Cb -0.12 -0.99 0.11 0.00 -0.52 0.00 0.00 37.83 36.30 1s9c s LYS 272 CO 0.03 -0.39 0.13 0.08 -0.92 0.00 0.00 175.35 174.28 1s9c s VAL 273 N -3.08 2.73 -0.53 3.17 1.01 -0.53 -0.35 120.40 122.81 1s9c s VAL 273 Ca 0.20 -2.27 -0.26 0.00 0.00 0.00 0.00 61.98 59.65 1s9c s VAL 273 Cb 0.03 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.41 1s9c s VAL 273 CO 0.11 -0.65 2.29 -1.58 0.00 0.00 0.00 175.10 175.27 1s9c s GLN 274 N 0.94 2.19 0.00 2.72 -0.44 -0.28 0.48 119.66 125.27 1s9c s GLN 274 Ca 0.10 1.20 0.00 0.00 -2.50 0.00 0.00 55.36 54.16 1s9c s GLN 274 Cb -0.21 -4.56 0.00 0.00 -1.64 0.00 0.00 33.01 26.61 1s9c s GLN 274 CO -0.06 -3.21 0.00 0.39 0.50 0.00 0.00 175.29 172.91 1s9c n GLU 275 N 9.04 0.00 0.00 1.67 1.02 -1.26 -4.40 120.64 126.71 1s9c n GLU 275 Ca 0.34 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 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 -0.44 -5.00 114.28 108.33 1s9c n THR 276 Ca 0.00 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1s9c n THR 276 Cb 0.00 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 1.72 0.56 3.75 3.38 0.00 0.18 -4.98 105.19 109.80 1s9c n GLY 277 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.45 5.24 -0.28 1.61 1.01 -1.25 -4.63 116.67 115.92 1s9c s ASP 278 Ca 0.00 2.52 -0.17 0.00 0.71 0.00 0.00 52.55 55.61 1s9c s ASP 278 Cb 0.00 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.29 1s9c s ASP 278 CO 0.00 -1.57 0.47 -0.63 0.21 0.00 0.00 175.17 173.65 1s9c s ILE 279 N -1.47 5.09 -0.08 0.77 1.01 -1.26 -1.45 121.20 123.81 1s9c s ILE 279 Ca 0.75 0.67 0.21 0.00 0.00 0.00 0.00 60.65 62.28 1s9c s ILE 279 Cb -0.34 -3.82 -0.31 0.00 0.01 0.00 0.00 42.46 38.00 1s9c s ILE 279 CO 0.38 0.05 0.36 1.33 0.00 0.00 0.00 174.94 177.06 1s9c n VAL 280 N 5.20 0.42 -3.78 2.92 0.24 0.49 -2.33 118.33 121.49 1s9c n VAL 280 Ca -0.06 -0.61 -0.18 0.00 -2.04 0.00 0.00 64.34 61.46 1s9c n VAL 280 Cb 0.50 -0.14 -0.17 0.00 -1.47 0.00 0.00 33.84 32.56 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 -3.21 0.02 0.24 1.34 1.01 -1.03 -0.70 121.20 118.87 1s9c s ILE 281 Ca -0.09 0.24 0.05 0.00 0.00 0.00 0.00 60.65 60.85 1s9c s ILE 281 Cb 0.12 -0.19 -0.05 0.00 0.01 0.00 0.00 42.46 42.35 1s9c s ILE 281 CO 0.88 0.14 -0.04 -0.94 0.00 0.00 0.00 174.94 174.99 1s9c s SER 282 N 1.45 2.20 -1.70 3.58 1.04 0.36 -1.00 113.70 119.63 1s9c s SER 282 Ca -0.04 -1.18 -0.16 0.00 0.48 0.00 0.00 55.95 55.05 1s9c s SER 282 Cb -0.13 -0.06 0.15 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 0.00 173.24 175.00 1s9c n ASN 283 N -0.46 -2.26 -4.96 7.02 3.02 -1.26 -1.98 115.26 114.38 1s9c n ASN 283 Ca -0.06 -1.09 -0.19 0.00 -0.03 0.00 0.00 54.58 53.22 1s9c n ASN 283 Cb 0.63 -2.44 -0.01 0.00 -0.61 0.00 0.00 39.78 37.36 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 -3.45 4.27 0.15 5.41 0.00 -1.07 -1.20 121.76 125.87 1s9c s ALA 284 Ca 0.61 -1.64 -0.25 0.00 0.00 0.00 0.00 51.96 50.68 1s9c s ALA 284 Cb -0.34 -1.47 0.07 0.00 0.00 0.00 0.00 23.12 21.37 1s9c s ALA 284 CO 0.95 -0.16 0.98 1.52 0.00 0.00 0.00 175.76 179.06 1s9c s TYR 285 N -2.31 -0.10 -0.16 0.00 -0.85 -0.16 -1.21 117.35 112.55 1s9c s TYR 285 Ca 0.49 -0.22 -0.07 0.00 -0.52 0.00 0.00 57.07 56.75 1s9c s TYR 285 Cb -0.08 0.65 0.07 0.00 0.38 0.00 0.00 41.96 42.97 1s9c s TYR 285 CO 0.31 -0.83 0.37 0.54 -1.52 0.00 0.00 175.55 174.41 1s9c s VAL 286 N -3.10 -0.24 -0.10 -3.49 0.11 -0.74 -1.26 120.40 111.57 1s9c s VAL 286 Ca 0.14 0.15 -0.19 0.00 -2.93 0.00 0.00 61.98 59.14 1s9c s VAL 286 Cb -0.01 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.23 1s9c s VAL 286 CO 0.03 0.06 0.53 -1.81 -3.33 0.00 0.00 175.10 170.58 1s9c s ASP 287 N 1.84 6.78 0.53 3.54 1.01 0.11 -1.41 116.67 129.06 1s9c s ASP 287 Ca -0.06 0.93 0.04 0.00 0.71 0.00 0.00 52.55 54.17 1s9c s ASP 287 Cb -0.10 -2.32 0.02 0.00 1.01 0.00 0.00 42.92 41.53 1s9c s ASP 287 CO -0.11 -0.01 0.28 -0.76 0.21 0.00 0.00 175.17 174.78 1s9c s LEU 288 N 0.56 2.62 0.00 1.23 1.43 0.10 -1.26 118.68 123.36 1s9c s LEU 288 Ca 0.29 -1.34 0.12 0.00 -1.03 0.00 0.00 54.13 52.17 1s9c s LEU 288 Cb -0.16 -1.09 0.09 0.00 0.03 0.00 0.00 46.19 45.06 1s9c s LEU 288 CO 0.13 -1.00 0.88 0.00 0.23 0.00 0.00 176.35 176.58