#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b3o s PHE 300 N 0.00 0.53 -0.02 -0.14 0.40 -1.26 -4.79 117.98 112.70 3b3o s PHE 300 Ca 0.00 -0.24 0.03 0.00 -0.60 0.00 0.00 56.93 56.12 3b3o s PHE 300 Cb 0.00 -0.33 -0.00 0.00 0.51 0.00 0.00 43.02 43.19 3b3o s PHE 300 CO 0.00 -0.04 -0.11 -0.51 0.70 0.00 0.00 175.22 175.26 3b3o s LEU 301 N -0.67 1.92 0.03 -0.37 1.43 -0.99 -4.95 118.68 115.07 3b3o s LEU 301 Ca -0.03 -0.22 0.05 0.00 -1.03 0.00 0.00 54.13 52.91 3b3o s LEU 301 Cb -0.05 -0.62 -0.03 0.00 0.03 0.00 0.00 46.19 45.52 3b3o s LEU 301 CO 0.00 0.11 -0.13 -0.54 0.23 0.00 0.00 176.35 176.03 3b3o s LYS 302 N -0.05 2.29 -0.01 1.70 1.02 -1.26 0.13 119.74 123.56 3b3o s LYS 302 Ca 0.01 -0.87 0.07 0.00 0.02 0.00 0.00 55.97 55.19 3b3o s LYS 302 Cb -0.07 -2.33 -0.02 0.00 -0.52 0.00 0.00 37.83 34.89 3b3o s LYS 302 CO 0.00 0.56 -0.22 0.14 -0.92 0.00 0.00 175.35 174.92 3b3o s VAL 303 N -0.97 1.75 0.04 3.17 -7.23 -0.20 -4.94 120.40 112.02 3b3o s VAL 303 Ca 0.16 -0.99 0.08 0.00 -1.81 0.00 0.00 61.98 59.43 3b3o s VAL 303 Cb -0.11 -1.46 -0.03 0.00 0.56 0.00 0.00 36.38 35.35 3b3o s VAL 303 CO 0.07 0.45 -0.24 -0.75 -0.31 0.00 0.00 175.10 174.32 3b3o s LYS 304 N -0.62 1.67 -0.35 4.82 2.20 -1.26 0.17 119.74 126.36 3b3o s LYS 304 Ca 0.09 -1.03 -0.12 0.00 -0.36 0.00 0.00 55.97 54.54 3b3o s LYS 304 Cb -0.09 -1.80 -0.00 0.00 -1.51 0.00 0.00 37.83 34.43 3b3o s LYS 304 CO -0.00 0.47 0.23 1.21 -0.36 0.00 0.00 175.35 176.90 3b3o s ASN 305 N -1.16 5.94 0.00 1.43 3.84 -0.12 -2.09 114.94 122.77 3b3o s ASN 305 Ca 0.10 -0.60 0.15 0.00 0.21 0.00 0.00 52.86 52.72 3b3o s ASN 305 Cb -0.09 -2.11 0.89 0.00 -0.55 0.00 0.00 41.25 39.38 3b3o s ASN 305 CO 0.02 -0.29 1.36 0.79 -2.79 0.00 0.00 177.10 176.19 3b3o n TRP 306 N 5.08 0.00 -0.09 0.43 7.02 -0.56 0.85 117.44 130.17 3b3o n TRP 306 Ca -0.12 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.24 3b3o n TRP 306 Cb 0.49 0.00 -0.12 0.00 -2.42 0.00 0.00 31.31 29.26 3b3o n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3b3o n GLU 307 N -0.84 0.94 -0.00 -0.99 2.13 -1.26 -4.65 120.64 115.97 3b3o n GLU 307 Ca 0.11 0.05 0.03 0.00 0.66 0.00 0.00 57.16 58.01 3b3o n GLU 307 Cb 0.05 -1.43 -0.03 0.00 0.27 0.00 0.00 31.44 30.30 3b3o n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3b3o n THR 308 N -2.85 0.00 -0.93 6.31 -2.24 -1.14 -5.00 114.28 108.43 3b3o n THR 308 Ca -0.32 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3b3o n THR 308 Cb 0.98 0.98 0.00 0.00 -2.10 0.00 0.00 70.33 70.18 3b3o n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3b3o n ASP 309 N -1.16 -3.90 -4.73 3.42 10.43 0.25 -4.96 116.55 115.90 3b3o n ASP 309 Ca 0.01 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 56.95 3b3o n ASP 309 Cb 0.09 -2.28 -0.03 0.00 1.84 0.00 0.00 41.12 40.75 3b3o n ASP 309 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3b3o s VAL 310 N -1.50 2.92 -0.05 2.53 1.01 -1.24 -4.73 120.40 119.35 3b3o s VAL 310 Ca 0.00 0.72 0.05 0.00 0.00 0.00 0.00 61.98 62.75 3b3o s VAL 310 Cb 0.00 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 3b3o s VAL 310 CO 0.00 0.09 -0.20 -0.69 0.00 0.00 0.00 175.10 174.30 3b3o s VAL 311 N 0.53 2.57 0.18 2.92 1.01 -1.26 -0.95 120.40 125.41 3b3o s VAL 311 Ca 0.62 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.81 3b3o s VAL 311 Cb -0.40 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 33.97 3b3o s VAL 311 CO 0.36 0.58 -0.22 -0.76 0.00 0.00 0.00 175.10 175.06 3b3o s LEU 312 N -0.46 2.43 -0.09 3.92 1.43 0.13 -4.95 118.68 121.09 3b3o s LEU 312 Ca 0.05 -0.86 0.03 0.00 -1.03 0.00 0.00 54.13 52.32 3b3o s LEU 312 Cb -0.12 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.03 3b3o s LEU 312 CO 0.01 0.07 -0.16 -0.89 0.23 0.00 0.00 176.35 175.61 3b3o s THR 313 N -1.77 2.80 -0.17 5.49 2.01 -1.26 -1.03 115.64 121.71 3b3o s THR 313 Ca 0.19 -0.78 0.00 0.00 0.31 0.00 0.00 61.69 61.41 3b3o s THR 313 Cb -0.07 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.32 3b3o s THR 313 CO 0.09 0.56 -0.15 -0.62 -0.69 0.00 0.00 174.62 173.80 3b3o s ASP 314 N -0.09 3.57 -0.04 3.53 -1.08 0.35 -4.65 116.67 118.25 3b3o s ASP 314 Ca -0.03 -0.52 0.06 0.00 -0.52 0.00 0.00 52.55 51.54 3b3o s ASP 314 Cb -0.14 -1.56 -0.08 0.00 -1.46 0.00 0.00 42.92 39.68 3b3o s ASP 314 CO 0.04 0.04 0.07 0.35 0.52 0.00 0.00 175.17 176.19 3b3o n THR 315 N 4.33 0.23 -0.31 1.71 -2.24 0.36 -2.36 114.28 116.00 3b3o n THR 315 Ca -0.20 -0.20 0.20 0.00 -2.27 0.00 0.00 64.05 61.58 3b3o n THR 315 Cb 0.51 -0.33 0.47 0.00 -2.10 0.00 0.00 70.33 68.88 3b3o n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3b3o h LEU 316 N 0.00 0.52 -1.68 3.22 5.85 -1.21 0.53 115.31 122.53 3b3o h LEU 316 Ca -0.09 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3b3o h LEU 316 Cb 0.90 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3b3o h LEU 316 CO 0.00 0.14 0.20 1.12 -0.34 0.00 0.00 178.44 179.57 3b3o h HIS 317 N 0.48 0.00 0.00 1.25 2.07 -1.83 0.13 115.15 117.25 3b3o h HIS 317 Ca 0.57 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.09 3b3o h HIS 317 Cb 1.31 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.29 3b3o h HIS 317 CO -0.00 0.00 0.00 -0.07 -3.07 0.00 0.00 177.93 174.79 3b3o h LEU 318 N 0.00 0.00 -1.95 6.12 3.38 -1.23 -1.55 115.31 120.08 3b3o h LEU 318 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3b3o h LEU 318 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3b3o h LEU 318 CO 0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 3b3o n LYS 319 N -3.09 2.25 -2.33 1.13 4.76 0.46 -4.92 118.16 116.43 3b3o n LYS 319 Ca -0.00 -1.92 -0.42 0.00 -2.87 0.00 0.00 58.31 53.10 3b3o n LYS 319 Cb 0.25 -1.45 -0.03 0.00 -1.84 0.00 0.00 35.03 31.96 3b3o n LYS 319 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3b3o s SER 320 N -1.23 7.00 -0.05 4.39 0.15 -0.58 -4.87 113.70 118.51 3b3o s SER 320 Ca 0.37 2.18 -0.04 0.00 0.70 0.00 0.00 55.95 59.16 3b3o s SER 320 Cb 0.20 -2.59 -0.03 0.00 -1.71 0.00 0.00 66.02 61.89 3b3o s SER 320 CO 0.27 -0.50 -0.09 0.35 1.20 0.00 0.00 173.24 174.48 3b3o n THR 321 N 3.51 0.55 -0.73 6.45 -2.24 -1.14 -5.01 114.28 115.67 3b3o n THR 321 Ca 0.08 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.56 3b3o n THR 321 Cb 0.45 -1.63 0.20 0.00 -2.10 0.00 0.00 70.33 67.25 3b3o n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3b3o s LEU 322 N -6.53 1.69 0.56 3.22 1.43 -1.25 -5.02 118.68 112.77 3b3o s LEU 322 Ca -0.09 1.69 -0.06 0.00 -1.03 0.00 0.00 54.13 54.65 3b3o s LEU 322 Cb 0.03 -3.84 -0.01 0.00 0.03 0.00 0.00 46.19 42.41 3b3o s LEU 322 CO 0.11 -3.58 0.87 -1.61 0.23 0.00 0.00 176.35 172.38 3b3o s GLU 323 N -4.62 3.13 -0.13 1.70 2.02 -1.26 -4.63 118.70 114.91 3b3o s GLU 323 Ca 0.67 0.09 0.15 0.00 0.02 0.00 0.00 54.97 55.90 3b3o s GLU 323 Cb -0.23 -2.29 -0.22 0.00 0.10 0.00 0.00 34.13 31.49 3b3o s GLU 323 CO 0.61 -0.55 0.13 0.25 0.02 0.00 0.00 175.26 175.72 3b3o n THR 324 N -2.50 0.86 0.00 3.63 -2.24 -1.26 -4.83 114.28 107.93 3b3o n THR 324 Ca 0.03 -0.62 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 3b3o n THR 324 Cb 0.57 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 3b3o n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b3o n GLY 325 N 1.88 2.67 3.96 3.38 0.00 -1.26 -4.90 105.19 110.92 3b3o n GLY 325 Ca -0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 3b3o n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b3o n THR 327 N -2.60 0.00 0.37 0.00 -2.24 -0.26 -4.98 114.28 104.56 3b3o n THR 327 Ca 0.09 -1.49 0.14 0.00 -2.27 0.00 0.00 64.05 60.52 3b3o n THR 327 Cb 0.60 0.86 0.54 0.00 -2.10 0.00 0.00 70.33 70.23 3b3o n THR 327 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3b3o h GLU 328 N 0.00 0.00 0.00 -0.78 3.07 -2.05 -3.19 114.58 111.63 3b3o h GLU 328 Ca -0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.66 3b3o h GLU 328 Cb 0.90 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.81 3b3o h GLU 328 CO 0.27 0.00 -1.28 0.72 -1.40 0.00 0.00 179.01 177.32 3b3o n HIS 329 N -2.58 0.00 -3.69 4.33 8.25 -1.26 -5.01 115.22 115.27 3b3o n HIS 329 Ca 0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.35 3b3o n HIS 329 Cb 0.29 -0.19 -0.09 0.00 1.12 0.00 0.00 29.99 31.12 3b3o n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3b3o s ILE 330 N -2.94 -0.00 -0.22 1.59 2.07 -1.21 -5.14 121.20 115.36 3b3o s ILE 330 Ca 0.01 0.01 -0.08 0.00 -1.41 0.00 0.00 60.65 59.17 3b3o s ILE 330 Cb 0.13 -0.76 -0.04 0.00 0.13 0.00 0.00 42.46 41.91 3b3o s ILE 330 CO 0.74 0.00 0.09 0.00 -1.91 0.00 0.00 174.94 173.86 3b3o n MET 332 N 4.32 2.15 0.31 0.00 0.00 -1.26 -4.74 117.12 117.89 3b3o n MET 332 Ca -0.16 -3.11 0.18 0.00 0.00 0.00 0.00 57.70 54.61 3b3o n MET 332 Cb 0.52 -1.94 0.96 0.00 0.00 0.00 0.00 33.22 32.77 3b3o n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3b3o h GLY 333 N 1.17 0.00 -1.65 3.03 0.00 -1.93 -1.60 103.07 102.10 3b3o h GLY 333 Ca 0.31 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3b3o h GLY 333 CO 0.58 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.98 3b3o n SER 334 N -3.15 3.25 -4.72 0.19 3.41 -1.26 -4.84 113.62 106.51 3b3o n SER 334 Ca -0.01 -2.06 -0.41 0.00 -0.26 0.00 0.00 58.87 56.12 3b3o n SER 334 Cb 0.27 -0.31 -0.04 0.00 -0.26 0.00 0.00 64.21 63.87 3b3o n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3b3o s ILE 335 N -1.10 4.83 0.15 -1.33 -1.09 -0.61 -4.96 121.20 117.08 3b3o s ILE 335 Ca 0.30 1.97 -0.14 0.00 -2.23 0.00 0.00 60.65 60.55 3b3o s ILE 335 Cb 0.16 -4.28 0.02 0.00 -1.58 0.00 0.00 42.46 36.79 3b3o s ILE 335 CO 0.19 0.21 1.67 -0.03 -1.23 0.00 0.00 174.94 175.75 3b3o h MET 336 N 6.55 0.73 -2.62 2.79 4.05 -1.93 -3.38 114.93 121.13 3b3o h MET 336 Ca -0.41 -0.15 -0.60 0.00 -0.28 0.00 0.00 59.70 58.25 3b3o h MET 336 Cb 1.22 -0.11 -0.39 0.00 -0.80 0.00 0.00 31.60 31.52 3b3o h MET 336 CO 0.74 0.69 -0.85 -0.51 0.23 0.00 0.00 176.91 177.22 3b3o s LEU 337 N -9.70 2.12 0.55 3.39 1.43 -1.26 -5.17 118.68 110.04 3b3o s LEU 337 Ca -0.13 -2.99 0.33 0.00 -1.03 0.00 0.00 54.13 50.31 3b3o s LEU 337 Cb 0.11 -0.73 1.53 0.00 0.03 0.00 0.00 46.19 47.13 3b3o s LEU 337 CO 0.78 -0.19 2.06 -0.65 0.23 0.00 0.00 176.35 178.57 3b3o h PRO 338 N 6.00 0.00 -6.64 1.29 0.11 -1.91 -3.54 132.00 127.31 3b3o h PRO 338 Ca 0.17 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.75 3b3o h PRO 338 Cb 0.90 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.04 3b3o h PRO 338 CO 0.43 0.06 0.70 0.54 -0.21 0.00 0.00 178.00 179.53 3b3o s VAL 348 N -3.89 3.14 0.66 3.15 0.11 -1.26 -4.97 120.40 117.33 3b3o s VAL 348 Ca -0.01 0.88 -0.11 0.00 -2.93 0.00 0.00 61.98 59.81 3b3o s VAL 348 Cb 0.11 -3.57 -0.01 0.00 -1.53 0.00 0.00 36.38 31.38 3b3o s VAL 348 CO 0.54 0.11 1.05 -0.13 -3.33 0.00 0.00 175.10 173.34 3b3o s ARG 349 N 0.35 3.23 -0.05 1.54 0.52 -1.26 -5.08 118.95 118.20 3b3o s ARG 349 Ca 0.61 0.91 -0.04 0.00 -0.52 0.00 0.00 55.73 56.69 3b3o s ARG 349 Cb -0.38 -2.03 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 3b3o s ARG 349 CO 0.36 -0.87 0.14 0.99 0.02 0.00 0.00 175.30 175.94 3b3o s THR 350 N -3.03 5.26 0.37 0.02 2.01 -1.26 -4.96 115.64 114.04 3b3o s THR 350 Ca 0.57 -0.10 0.16 0.00 0.31 0.00 0.00 61.69 62.64 3b3o s THR 350 Cb -0.13 -3.38 0.36 0.00 0.01 0.00 0.00 72.50 69.36 3b3o s THR 350 CO 0.52 0.44 1.71 0.11 -0.69 0.00 0.00 174.62 176.71 3b3o h LYS 351 N 4.30 0.37 0.18 4.92 1.57 -1.96 0.25 116.57 126.20 3b3o h LYS 351 Ca -0.51 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.26 3b3o h LYS 351 Cb 1.20 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.39 3b3o h LYS 351 CO 0.64 0.24 -0.40 0.22 -0.57 0.00 0.00 179.45 179.58 3b3o h ASP 352 N 0.38 -1.16 1.11 0.86 3.58 -1.98 -2.22 116.42 116.99 3b3o h ASP 352 Ca 0.68 0.12 -0.09 0.00 0.42 0.00 0.00 57.03 58.17 3b3o h ASP 352 Cb 1.63 0.43 -0.01 0.00 1.72 0.00 0.00 39.33 43.10 3b3o h ASP 352 CO -0.46 -0.49 -0.42 0.06 -2.88 0.00 0.00 179.24 175.05 3b3o h GLN 353 N -0.67 0.00 -0.28 0.28 3.07 -1.23 -3.32 115.11 112.95 3b3o h GLN 353 Ca 0.01 0.00 -0.13 0.00 0.09 0.00 0.00 58.65 58.62 3b3o h GLN 353 Cb 0.68 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.23 3b3o h GLN 353 CO -0.20 0.42 -0.34 1.25 0.09 0.00 0.00 178.83 180.05 3b3o h LEU 354 N 0.00 0.78 -0.39 0.06 5.85 -0.39 -3.28 115.31 117.94 3b3o h LEU 354 Ca -0.00 -0.49 0.06 0.00 0.84 0.00 0.00 57.88 58.29 3b3o h LEU 354 Cb 1.09 -0.22 -0.09 0.00 0.37 0.00 0.00 40.66 41.81 3b3o h LEU 354 CO 0.05 1.12 -0.48 -0.26 -0.34 0.00 0.00 178.44 178.53 3b3o h PHE 355 N 0.47 -1.43 -0.45 1.25 0.05 -1.51 -1.41 116.94 113.91 3b3o h PHE 355 Ca 0.04 0.07 0.02 0.00 3.82 0.00 0.00 57.97 61.92 3b3o h PHE 355 Cb 0.92 0.68 -0.02 0.00 2.00 0.00 0.00 35.95 39.52 3b3o h PHE 355 CO 0.07 -0.47 0.30 -1.00 -0.18 0.00 0.00 178.31 177.03 3b3o h PRO 356 N -0.37 0.52 -0.50 1.51 0.13 -1.76 -2.12 132.00 129.41 3b3o h PRO 356 Ca 0.11 -0.03 -0.10 0.00 -0.87 0.00 0.00 66.00 65.10 3b3o h PRO 356 Cb 0.60 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.59 3b3o h PRO 356 CO -0.58 0.34 -0.09 -0.07 -0.23 0.00 0.00 178.00 177.38 3b3o h LEU 357 N 0.53 0.95 -0.35 1.56 3.38 -1.35 -1.54 115.31 118.49 3b3o h LEU 357 Ca 0.17 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 3b3o h LEU 357 Cb 0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3b3o h LEU 357 CO -0.04 1.08 -0.18 0.00 0.09 0.00 0.00 178.44 179.39 3b3o h ALA 358 N 0.90 0.49 0.02 1.53 0.00 -1.01 -2.42 119.26 118.78 3b3o h ALA 358 Ca 0.13 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.70 3b3o h ALA 358 Cb 0.65 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 3b3o h ALA 358 CO 0.04 0.43 -0.08 -0.22 0.00 0.00 0.00 179.25 179.42 3b3o h LYS 359 N 0.52 -0.14 -0.20 0.00 3.64 -1.27 0.42 116.57 119.54 3b3o h LYS 359 Ca 0.08 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3b3o h LYS 359 Cb 0.72 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 3b3o h LYS 359 CO 0.05 -0.10 -0.07 1.49 -2.27 0.00 0.00 179.45 178.55 3b3o h GLU 360 N -0.15 -0.04 0.18 1.90 4.81 -1.29 0.30 114.58 120.29 3b3o h GLU 360 Ca 0.03 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 3b3o h GLU 360 Cb 0.18 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3b3o h GLU 360 CO -0.07 -0.02 -0.19 0.35 -0.73 0.00 0.00 179.01 178.34 3b3o h PHE 361 N -0.04 -0.51 -1.00 0.92 3.57 -1.02 -0.81 116.94 118.05 3b3o h PHE 361 Ca 0.10 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.65 3b3o h PHE 361 Cb 0.19 0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.07 3b3o h PHE 361 CO -0.24 -0.29 0.66 -0.07 -2.23 0.00 0.00 178.31 176.14 3b3o h LEU 362 N -0.41 1.09 -0.43 0.59 3.38 0.21 0.29 115.31 120.02 3b3o h LEU 362 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3b3o h LEU 362 Cb 0.39 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 3b3o h LEU 362 CO -0.05 0.74 0.27 0.44 0.09 0.00 0.00 178.44 179.92 3b3o h ASP 363 N 1.26 0.51 -0.37 -0.43 3.45 -0.08 0.15 116.42 120.90 3b3o h ASP 363 Ca 0.41 -0.04 -0.00 0.00 0.43 0.00 0.00 57.03 57.82 3b3o h ASP 363 Cb 0.03 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.66 3b3o h ASP 363 CO -0.13 0.40 0.22 1.56 -1.57 0.00 0.00 179.24 179.72 3b3o h GLN 364 N 0.57 0.50 -0.35 3.56 4.20 0.18 -0.95 115.11 122.82 3b3o h GLN 364 Ca 0.16 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 3b3o h GLN 364 Cb -0.03 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.63 3b3o h GLN 364 CO -0.03 0.37 0.20 -0.92 -0.67 0.00 0.00 178.83 177.78 3b3o h TYR 365 N 0.48 0.47 -0.00 2.96 3.20 -0.03 -1.51 116.97 122.54 3b3o h TYR 365 Ca 0.13 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.89 3b3o h TYR 365 Cb 0.00 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3b3o h TYR 365 CO -0.04 0.36 -0.50 1.88 -1.64 0.00 0.00 178.16 178.22 3b3o h TYR 366 N 0.44 0.00 -0.47 -3.82 -1.99 -0.52 -2.57 116.97 108.04 3b3o h TYR 366 Ca 0.12 -0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.79 3b3o h TYR 366 Cb 0.04 -0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.75 3b3o h TYR 366 CO -0.03 0.50 0.04 0.77 -0.00 0.00 0.00 178.16 179.44 3b3o h SER 367 N 0.00 0.78 -0.78 3.88 0.02 -0.94 0.75 113.55 117.27 3b3o h SER 367 Ca -0.00 -0.28 0.05 0.00 -0.84 0.00 0.00 61.79 60.71 3b3o h SER 367 Cb 0.89 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 63.17 3b3o h SER 367 CO 0.07 0.87 0.51 0.77 -1.14 0.00 0.00 176.83 177.91 3b3o h SER 368 N 0.67 0.79 -0.39 3.07 4.64 -0.89 -0.64 113.55 120.80 3b3o h SER 368 Ca 0.14 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3b3o h SER 368 Cb 0.44 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 3b3o h SER 368 CO 0.02 0.53 0.00 2.30 -0.87 0.00 0.00 176.83 178.80 3b3o n ILE 369 N -4.46 0.67 -3.44 0.95 -5.35 -1.04 -4.92 119.36 101.75 3b3o n ILE 369 Ca 0.11 -0.57 -0.19 0.00 -0.27 0.00 0.00 62.75 61.83 3b3o n ILE 369 Cb 0.16 0.18 0.08 0.00 -1.74 0.00 0.00 39.64 38.32 3b3o n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3b3o n LYS 370 N 0.63 -6.92 -1.45 6.28 5.02 -0.25 -4.92 118.16 116.56 3b3o n LYS 370 Ca 0.14 0.79 0.04 0.00 -2.02 0.00 0.00 58.31 57.26 3b3o n LYS 370 Cb 0.40 -5.68 0.03 0.00 -0.02 0.00 0.00 35.03 29.75 3b3o n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3b3o n ARG 371 N -4.37 0.06 -2.09 1.97 5.12 0.22 -5.03 116.66 112.55 3b3o n ARG 371 Ca -0.13 -2.04 -0.41 0.00 -1.93 0.00 0.00 57.85 53.34 3b3o n ARG 371 Cb 0.61 -0.07 -0.03 0.00 -1.16 0.00 0.00 32.46 31.81 3b3o n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 3b3o s PHE 372 N -0.13 3.12 0.00 -1.55 5.36 -1.11 -2.10 117.98 121.58 3b3o s PHE 372 Ca 0.34 1.04 0.00 0.00 -0.96 0.00 0.00 56.93 57.35 3b3o s PHE 372 Cb 0.38 -3.75 0.00 0.00 -0.34 0.00 0.00 43.02 39.32 3b3o s PHE 372 CO -0.16 -2.46 0.00 0.41 -1.46 0.00 0.00 175.22 171.55 3b3o n GLY 373 N 2.56 1.80 3.60 13.12 0.00 -1.26 -5.01 105.19 119.99 3b3o n GLY 373 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 3b3o n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b3o s SER 374 N -3.39 1.88 0.18 1.61 1.04 -0.89 -4.76 113.70 109.36 3b3o s SER 374 Ca 0.00 1.33 -0.08 0.00 0.48 0.00 0.00 55.95 57.67 3b3o s SER 374 Cb 0.00 -2.04 0.07 0.00 0.10 0.00 0.00 66.02 64.14 3b3o s SER 374 CO 0.00 -3.61 1.57 0.50 0.98 0.00 0.00 173.24 172.68 3b3o h LYS 375 N -2.22 0.92 -0.75 4.02 3.64 -1.95 -0.35 116.57 119.88 3b3o h LYS 375 Ca -0.58 -0.39 0.04 0.00 -1.27 0.00 0.00 60.65 58.45 3b3o h LYS 375 Cb 1.33 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.07 3b3o h LYS 375 CO 0.54 1.05 0.46 0.00 -2.27 0.00 0.00 179.45 179.24 3b3o h ALA 376 N 0.94 1.00 -0.02 5.00 0.00 -1.91 0.38 119.26 124.65 3b3o h ALA 376 Ca 0.10 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3b3o h ALA 376 Cb 0.79 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 3b3o h ALA 376 CO 0.07 0.22 0.01 1.25 0.00 0.00 0.00 179.25 180.79 3b3o h HIS 377 N 0.88 0.03 -0.67 0.00 -0.00 -1.68 -1.24 115.15 112.47 3b3o h HIS 377 Ca 0.31 -0.00 -0.04 0.00 -0.00 0.00 0.00 60.37 60.64 3b3o h HIS 377 Cb 0.08 -0.01 -0.03 0.00 -0.00 0.00 0.00 27.41 27.45 3b3o h HIS 377 CO -0.04 0.18 0.26 0.52 -0.00 0.00 0.00 177.93 178.85 3b3o h MET 378 N -0.13 0.99 -0.34 5.26 2.07 -0.51 -1.53 114.93 120.73 3b3o h MET 378 Ca 0.01 -0.17 -0.07 0.00 -2.07 0.00 0.00 59.70 57.40 3b3o h MET 378 Cb 0.17 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 29.72 3b3o h MET 378 CO -0.00 0.81 -0.06 -0.44 1.07 0.00 0.00 176.91 178.29 3b3o h ASP 379 N 0.97 0.65 -0.56 1.22 3.32 -0.14 -1.88 116.42 120.00 3b3o h ASP 379 Ca 0.23 -0.35 0.04 0.00 0.02 0.00 0.00 57.03 56.97 3b3o h ASP 379 Cb 0.20 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.53 3b3o h ASP 379 CO -0.02 0.84 0.31 -0.09 -1.72 0.00 0.00 179.24 178.57 3b3o h ARG 380 N 0.44 0.58 -0.36 3.56 9.65 -0.92 0.33 114.38 127.66 3b3o h ARG 380 Ca 0.09 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 3b3o h ARG 380 Cb 0.55 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.98 3b3o h ARG 380 CO 0.03 0.39 0.24 -0.07 2.80 0.00 0.00 179.97 183.35 3b3o h LEU 381 N 0.60 0.42 -0.40 3.80 3.38 -1.13 0.73 115.31 122.70 3b3o h LEU 381 Ca 0.24 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 3b3o h LEU 381 Cb 0.10 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3b3o h LEU 381 CO -0.14 0.31 0.14 -0.08 0.09 0.00 0.00 178.44 178.76 3b3o h GLU 382 N 0.49 0.62 -0.39 1.13 4.81 -0.74 -0.44 114.58 120.05 3b3o h GLU 382 Ca 0.13 -0.13 0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3b3o h GLU 382 Cb -0.05 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 3b3o h GLU 382 CO -0.03 0.60 0.16 1.49 -0.73 0.00 0.00 179.01 180.51 3b3o h GLU 383 N 0.50 0.33 -0.05 1.92 4.81 -0.05 0.66 114.58 122.71 3b3o h GLU 383 Ca 0.13 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 3b3o h GLU 383 Cb 0.24 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.54 3b3o h GLU 383 CO -0.01 0.22 0.01 0.28 -0.73 0.00 0.00 179.01 178.79 3b3o h VAL 384 N 0.34 1.19 -0.81 0.32 2.07 -0.66 -0.71 116.25 117.98 3b3o h VAL 384 Ca 0.17 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 3b3o h VAL 384 Cb 0.12 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 3b3o h VAL 384 CO -0.15 0.16 0.40 0.78 0.02 0.00 0.00 177.57 178.78 3b3o h ASN 385 N -0.13 1.05 -0.55 0.57 2.35 -0.90 0.53 115.58 118.50 3b3o h ASN 385 Ca 0.02 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 3b3o h ASN 385 Cb 0.24 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.31 3b3o h ASN 385 CO 0.00 0.88 0.32 0.11 -1.65 0.00 0.00 177.43 177.08 3b3o h LYS 386 N 1.15 0.76 -0.75 0.81 1.57 -0.75 -1.41 116.57 117.96 3b3o h LYS 386 Ca 0.28 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3b3o h LYS 386 Cb 0.09 -0.15 -0.04 0.00 0.08 0.00 0.00 32.23 32.21 3b3o h LYS 386 CO -0.04 0.57 0.45 1.49 -0.57 0.00 0.00 179.45 181.35 3b3o h GLU 387 N 0.74 1.01 0.80 3.15 4.81 -0.28 -0.84 114.58 123.98 3b3o h GLU 387 Ca 0.20 -0.09 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 3b3o h GLU 387 Cb 0.02 -0.21 0.01 0.00 0.63 0.00 0.00 28.75 29.19 3b3o h GLU 387 CO -0.03 0.71 -0.38 0.82 -0.73 0.00 0.00 179.01 179.40 3b3o h ILE 388 N 1.02 0.00 -0.98 2.32 2.04 -0.44 0.65 117.51 122.12 3b3o h ILE 388 Ca 0.27 -0.06 0.28 0.00 1.00 0.00 0.00 64.86 66.35 3b3o h ILE 388 Cb -0.04 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.00 3b3o h ILE 388 CO -0.05 0.00 0.70 -0.33 0.00 0.00 0.00 178.15 178.47 3b3o h GLU 389 N -1.13 0.04 0.18 2.37 5.08 -1.22 2.09 114.58 122.00 3b3o h GLU 389 Ca -0.11 -0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.98 3b3o h GLU 389 Cb 0.82 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 30.08 3b3o h GLU 389 CO 0.18 0.03 -1.24 1.03 -1.00 0.00 0.00 179.01 178.01 3b3o h SER 390 N 0.04 0.60 0.00 1.42 0.87 -0.58 -3.40 113.55 112.50 3b3o h SER 390 Ca 0.47 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3b3o h SER 390 Cb 1.82 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 63.58 3b3o h SER 390 CO -0.03 1.58 0.00 0.35 -0.53 0.00 0.00 176.83 178.20 3b3o n THR 391 N -3.90 0.00 -0.95 2.23 -2.24 0.22 -4.99 114.28 104.66 3b3o n THR 391 Ca -0.18 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.14 3b3o n THR 391 Cb 0.96 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 70.26 3b3o n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3b3o n SER 392 N -0.20 -0.33 -0.20 3.42 7.64 0.70 -4.92 113.62 119.72 3b3o n SER 392 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3b3o n SER 392 Cb 0.02 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 3b3o n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 3b3o n THR 393 N -2.09 0.00 -3.54 0.44 5.66 -1.25 -4.71 114.28 108.79 3b3o n THR 393 Ca 0.00 0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.93 3b3o n THR 393 Cb 0.01 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 3b3o n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3b3o s TYR 394 N -2.84 -0.28 -0.07 1.09 -0.85 -1.26 -2.59 117.35 110.54 3b3o s TYR 394 Ca 0.00 0.21 -0.02 0.00 -0.52 0.00 0.00 57.07 56.74 3b3o s TYR 394 Cb 0.00 0.52 -0.04 0.00 0.38 0.00 0.00 41.96 42.83 3b3o s TYR 394 CO 0.00 -0.42 0.04 -0.65 -1.52 0.00 0.00 175.55 173.01 3b3o s GLN 395 N -2.70 3.07 0.22 -3.49 -1.52 -1.26 -5.05 119.66 108.93 3b3o s GLN 395 Ca 0.06 -0.39 -0.20 0.00 -1.95 0.00 0.00 55.36 52.88 3b3o s GLN 395 Cb -0.01 -2.87 -0.08 0.00 -0.22 0.00 0.00 33.01 29.83 3b3o s GLN 395 CO -0.07 0.70 0.74 -0.51 -0.25 0.00 0.00 175.29 175.90 3b3o s LEU 396 N -1.14 4.36 0.58 2.90 1.43 -1.26 -5.06 118.68 120.50 3b3o s LEU 396 Ca 0.16 1.45 -0.16 0.00 -1.03 0.00 0.00 54.13 54.56 3b3o s LEU 396 Cb -0.12 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.49 3b3o s LEU 396 CO 0.06 0.04 1.05 -0.54 0.23 0.00 0.00 176.35 177.19 3b3o s LYS 397 N -1.90 3.38 0.23 1.70 -0.14 -1.26 -4.83 119.74 116.91 3b3o s LYS 397 Ca 0.43 1.19 -0.10 0.00 -1.36 0.00 0.00 55.97 56.13 3b3o s LYS 397 Cb -0.17 -2.04 0.34 0.00 -1.68 0.00 0.00 37.83 34.28 3b3o s LYS 397 CO 0.21 -0.76 1.65 -0.44 -0.76 0.00 0.00 175.35 175.25 3b3o h ASP 398 N 0.51 -0.35 -0.75 2.83 3.32 -2.00 -1.04 116.42 118.94 3b3o h ASP 398 Ca -0.47 0.18 0.06 0.00 0.02 0.00 0.00 57.03 56.82 3b3o h ASP 398 Cb 1.22 0.32 -0.06 0.00 0.22 0.00 0.00 39.33 41.03 3b3o h ASP 398 CO 0.58 -0.15 0.44 0.71 -1.72 0.00 0.00 179.24 179.09 3b3o h THR 399 N 0.09 0.99 -0.36 0.35 1.35 -2.00 -1.44 112.91 111.91 3b3o h THR 399 Ca 0.35 -0.27 -0.11 0.00 -0.55 0.00 0.00 66.41 65.83 3b3o h THR 399 Cb 0.59 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 67.12 3b3o h THR 399 CO -0.60 0.15 -0.21 -0.33 -0.25 0.00 0.00 175.52 174.27 3b3o h GLU 400 N 0.80 0.69 -0.13 4.72 5.08 -1.59 -1.30 114.58 122.85 3b3o h GLU 400 Ca 0.33 -0.27 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3b3o h GLU 400 Cb 0.19 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3b3o h GLU 400 CO -0.18 0.85 0.05 1.25 -1.00 0.00 0.00 179.01 179.97 3b3o h LEU 401 N 0.61 0.19 0.09 1.33 5.85 -0.76 0.45 115.31 123.06 3b3o h LEU 401 Ca 0.09 -0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 3b3o h LEU 401 Cb 0.69 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.67 3b3o h LEU 401 CO 0.05 0.32 -0.05 0.40 -0.34 0.00 0.00 178.44 178.83 3b3o h ILE 402 N 0.04 0.89 -0.74 4.05 2.04 -1.15 0.11 117.51 122.74 3b3o h ILE 402 Ca 0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.95 3b3o h ILE 402 Cb 0.20 0.89 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 3b3o h ILE 402 CO -0.00 0.00 0.45 0.22 0.00 0.00 0.00 178.15 178.81 3b3o h TYR 403 N -0.13 0.83 -0.36 1.37 3.20 -1.15 -1.26 116.97 119.46 3b3o h TYR 403 Ca -0.01 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3b3o h TYR 403 Cb 0.11 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 3b3o h TYR 403 CO -0.08 0.43 0.18 0.78 -1.64 0.00 0.00 178.16 177.82 3b3o h GLY 404 N 0.83 0.55 0.83 1.82 0.00 0.61 -1.65 103.07 106.07 3b3o h GLY 404 Ca 0.32 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3b3o h GLY 404 CO -0.16 0.26 0.03 0.00 0.00 0.00 0.00 176.54 176.67 3b3o h ALA 405 N 1.03 0.25 -0.68 3.60 0.00 -0.55 -1.63 119.26 121.28 3b3o h ALA 405 Ca 0.12 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.92 3b3o h ALA 405 Cb 0.11 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3b3o h ALA 405 CO -0.02 -0.08 0.45 0.87 0.00 0.00 0.00 179.25 180.47 3b3o h LYS 406 N 0.10 0.68 0.01 0.00 1.57 -1.18 -2.45 116.57 115.30 3b3o h LYS 406 Ca 0.06 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.60 3b3o h LYS 406 Cb 0.32 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3b3o h LYS 406 CO 0.00 0.45 -0.92 0.45 -0.57 0.00 0.00 179.45 178.86 3b3o h HIS 407 N 0.70 0.09 -0.65 -1.35 3.86 -0.87 -1.21 115.15 115.72 3b3o h HIS 407 Ca 0.29 -0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.43 3b3o h HIS 407 Cb 0.24 -0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 3b3o h HIS 407 CO -0.00 0.94 0.35 0.00 0.86 0.00 0.00 177.93 180.08 3b3o h ALA 408 N 1.04 0.83 -0.01 2.45 0.00 -0.86 0.17 119.26 122.88 3b3o h ALA 408 Ca -0.02 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 3b3o h ALA 408 Cb 1.61 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3b3o h ALA 408 CO 0.13 0.35 0.00 2.35 0.00 0.00 0.00 179.25 182.08 3b3o h TRP 409 N 0.89 0.02 -0.81 0.00 7.01 -1.33 -1.78 115.95 119.94 3b3o h TRP 409 Ca 0.23 -0.00 0.18 0.00 2.11 0.00 0.00 58.89 61.40 3b3o h TRP 409 Cb 0.05 -0.01 -0.06 0.00 -2.10 0.00 0.00 29.16 27.05 3b3o h TRP 409 CO -0.01 0.17 0.54 -0.09 -2.79 0.00 0.00 178.44 176.27 3b3o h ARG 410 N -0.14 0.38 -0.01 2.65 2.43 -0.65 -0.89 114.38 118.14 3b3o h ARG 410 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3b3o h ARG 410 Cb 0.16 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3b3o h ARG 410 CO -0.00 0.25 -0.10 0.09 -1.51 0.00 0.00 179.97 178.70 3b3o n ASN 411 N -4.48 1.39 -4.56 -3.80 3.02 0.55 -4.82 115.26 102.56 3b3o n ASN 411 Ca 0.16 -1.30 -0.34 0.00 -0.03 0.00 0.00 54.58 53.08 3b3o n ASN 411 Cb 0.62 0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 39.80 3b3o n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3b3o s ALA 412 N -2.19 2.05 0.05 5.41 0.00 -0.34 -4.73 121.76 122.01 3b3o s ALA 412 Ca 0.32 -1.26 0.30 0.00 0.00 0.00 0.00 51.96 51.33 3b3o s ALA 412 Cb 0.20 -4.44 1.54 0.00 0.00 0.00 0.00 23.12 20.43 3b3o s ALA 412 CO 0.41 -4.22 1.93 0.66 0.00 0.00 0.00 175.76 174.53 3b3o h SER 413 N 12.37 0.00 -0.01 0.00 4.64 -1.88 -1.96 113.55 126.72 3b3o h SER 413 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 3b3o h SER 413 Cb 1.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 3b3o h SER 413 CO 1.24 0.00 -0.01 0.54 -0.87 0.00 0.00 176.83 177.73 3b3o n ARG 414 N -2.61 1.75 -3.54 4.77 1.74 -1.26 -0.83 116.66 116.67 3b3o n ARG 414 Ca -0.01 -1.12 -0.39 0.00 -0.77 0.00 0.00 57.85 55.57 3b3o n ARG 414 Cb 0.12 -1.48 -0.11 0.00 -1.02 0.00 0.00 32.46 29.97 3b3o n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3b3o n VAL 416 N 5.08 0.00 -0.01 0.00 3.14 -1.26 -3.79 118.33 121.50 3b3o n VAL 416 Ca -0.13 -0.01 0.07 0.00 -2.96 0.00 0.00 64.34 61.31 3b3o n VAL 416 Cb 0.51 -0.18 0.26 0.00 -1.06 0.00 0.00 33.84 33.38 3b3o n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3b3o n GLY 417 N 1.46 1.99 0.00 7.55 0.00 -1.26 -4.48 105.19 110.45 3b3o n GLY 417 Ca 0.08 -0.62 0.01 0.00 0.00 0.00 0.00 46.02 45.48 3b3o n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b3o n ARG 418 N 0.80 0.00 0.32 1.61 1.74 -1.25 -2.21 116.66 117.67 3b3o n ARG 418 Ca 0.19 0.46 0.19 0.00 -0.77 0.00 0.00 57.85 57.92 3b3o n ARG 418 Cb 0.67 -1.50 1.08 0.00 -1.02 0.00 0.00 32.46 31.69 3b3o n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3b3o h ILE 419 N 0.00 0.23 -0.17 0.55 2.10 -1.90 -0.44 117.51 117.88 3b3o h ILE 419 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 3b3o h ILE 419 Cb 0.03 1.02 0.00 0.00 -1.09 0.00 0.00 36.82 36.77 3b3o h ILE 419 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3b3o n GLN 420 N -3.42 1.79 -0.28 2.19 1.13 -0.94 -4.67 117.38 113.18 3b3o n GLN 420 Ca -0.03 -1.19 0.10 0.00 -1.94 0.00 0.00 57.00 53.95 3b3o n GLN 420 Cb 0.08 -1.41 0.26 0.00 0.11 0.00 0.00 30.24 29.28 3b3o n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3b3o h TRP 421 N 2.43 0.48 0.00 1.08 5.08 -1.28 -0.32 115.95 123.41 3b3o h TRP 421 Ca 0.00 0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.01 3b3o h TRP 421 Cb 0.53 -0.08 0.00 0.00 -3.00 0.00 0.00 29.16 26.61 3b3o h TRP 421 CO 0.11 -0.07 0.00 -1.13 -1.28 0.00 0.00 178.44 176.06 3b3o n SER 422 N -5.10 0.00 -4.15 0.11 3.41 -1.26 -4.21 113.62 102.42 3b3o n SER 422 Ca 0.19 -0.10 -0.39 0.00 -0.26 0.00 0.00 58.87 58.32 3b3o n SER 422 Cb 0.58 -0.26 -0.07 0.00 -0.26 0.00 0.00 64.21 64.20 3b3o n SER 422 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3b3o s LYS 423 N -2.51 2.98 -0.08 4.33 2.20 -0.13 -5.01 119.74 121.52 3b3o s LYS 423 Ca 0.22 -2.71 -0.03 0.00 -0.36 0.00 0.00 55.97 53.09 3b3o s LYS 423 Cb 0.15 -3.94 0.04 0.00 -1.51 0.00 0.00 37.83 32.57 3b3o s LYS 423 CO 0.33 -1.22 0.17 -1.17 -0.36 0.00 0.00 175.35 173.09 3b3o s LEU 424 N -0.35 0.47 -0.22 5.43 2.96 -1.26 -4.64 118.68 121.08 3b3o s LEU 424 Ca 0.20 0.35 -0.24 0.00 -0.22 0.00 0.00 54.13 54.22 3b3o s LEU 424 Cb -0.15 0.40 -0.01 0.00 0.50 0.00 0.00 46.19 46.93 3b3o s LEU 424 CO -0.06 -0.17 0.78 -1.58 -1.32 0.00 0.00 176.35 173.99 3b3o s GLN 425 N 1.47 4.21 -0.26 1.98 2.00 -0.71 -4.98 119.66 123.38 3b3o s GLN 425 Ca -0.06 0.88 -0.08 0.00 -2.00 0.00 0.00 55.36 54.10 3b3o s GLN 425 Cb -0.12 -3.62 -0.03 0.00 0.80 0.00 0.00 33.01 30.05 3b3o s GLN 425 CO -0.06 -0.42 0.08 0.08 -0.50 0.00 0.00 175.29 174.47 3b3o s VAL 426 N 2.50 4.35 -0.25 1.34 1.01 -1.26 -1.07 120.40 127.01 3b3o s VAL 426 Ca 0.34 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 3b3o s VAL 426 Cb -0.16 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.12 3b3o s VAL 426 CO 0.09 0.31 0.15 -0.36 0.00 0.00 0.00 175.10 175.30 3b3o s PHE 427 N 1.62 3.23 -0.59 5.22 0.08 0.10 -4.99 117.98 122.66 3b3o s PHE 427 Ca 0.06 0.07 -0.21 0.00 0.12 0.00 0.00 56.93 56.97 3b3o s PHE 427 Cb -0.15 -2.30 0.07 0.00 -0.57 0.00 0.00 43.02 40.07 3b3o s PHE 427 CO 0.04 -0.09 0.82 0.34 -0.10 0.00 0.00 175.22 176.23 3b3o s ASP 428 N 1.40 6.22 -0.38 1.36 3.68 -1.26 -0.85 116.67 126.84 3b3o s ASP 428 Ca 0.07 -0.95 0.06 0.00 2.13 0.00 0.00 52.55 53.86 3b3o s ASP 428 Cb -0.15 -2.37 0.54 0.00 -1.45 0.00 0.00 42.92 39.50 3b3o s ASP 428 CO 0.07 -1.20 1.63 0.00 0.13 0.00 0.00 175.17 175.80 3b3o n ALA 429 N 6.99 4.96 1.13 3.66 0.00 -0.14 -4.67 120.51 132.44 3b3o n ALA 429 Ca -0.05 -3.17 0.11 0.00 0.00 0.00 0.00 53.44 50.33 3b3o n ALA 429 Cb 0.45 -1.01 0.58 0.00 0.00 0.00 0.00 19.45 19.47 3b3o n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3b3o n ARG 430 N -1.08 0.40 -0.06 0.00 1.74 -1.05 -2.06 116.66 114.55 3b3o n ARG 430 Ca 0.45 0.06 0.12 0.00 -0.77 0.00 0.00 57.85 57.71 3b3o n ARG 430 Cb 1.17 -1.50 0.25 0.00 -1.02 0.00 0.00 32.46 31.36 3b3o n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3b3o n ASP 431 N -1.22 2.66 -4.76 0.55 5.68 -1.26 -4.48 116.55 113.71 3b3o n ASP 431 Ca 0.12 -1.87 -0.40 0.00 -0.50 0.00 0.00 54.79 52.14 3b3o n ASP 431 Cb 0.15 -0.08 -0.03 0.00 -1.14 0.00 0.00 41.12 40.03 3b3o n ASP 431 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3b3o n THR 433 N 1.01 0.00 -4.28 0.00 -2.24 -1.26 -4.77 114.28 102.73 3b3o n THR 433 Ca -0.00 -0.11 -0.15 0.00 -2.27 0.00 0.00 64.05 61.52 3b3o n THR 433 Cb 0.43 0.55 -0.10 0.00 -2.10 0.00 0.00 70.33 69.11 3b3o n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3b3o s THR 434 N -1.26 0.59 0.22 4.28 -4.23 -1.26 -4.58 115.64 109.41 3b3o s THR 434 Ca 0.00 -1.99 -0.09 0.00 -1.18 0.00 0.00 61.69 58.43 3b3o s THR 434 Cb 0.00 -2.42 0.19 0.00 1.34 0.00 0.00 72.50 71.61 3b3o s THR 434 CO 0.00 -0.19 1.89 0.00 -0.54 0.00 0.00 174.62 175.78 3b3o h ALA 435 N 2.52 1.06 -0.60 3.99 0.00 -1.90 0.10 119.26 124.43 3b3o h ALA 435 Ca -0.38 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 3b3o h ALA 435 Cb 1.23 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3b3o h ALA 435 CO 0.61 0.44 0.16 0.45 0.00 0.00 0.00 179.25 180.92 3b3o h HIS 436 N 1.11 0.96 -0.69 0.00 3.86 -1.96 0.67 115.15 119.10 3b3o h HIS 436 Ca 0.31 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.37 3b3o h HIS 436 Cb -0.10 -0.28 -0.03 0.00 1.06 0.00 0.00 27.41 28.06 3b3o h HIS 436 CO -0.02 0.78 0.19 0.78 0.86 0.00 0.00 177.93 180.53 3b3o h GLY 437 N 1.02 1.17 0.97 2.45 0.00 -1.62 -1.67 103.07 105.38 3b3o h GLY 437 Ca 0.20 -0.70 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 3b3o h GLY 437 CO -0.00 0.66 0.20 -0.33 0.00 0.00 0.00 176.54 177.06 3b3o h MET 438 N 1.04 0.74 -0.68 4.80 0.00 0.16 -1.49 114.93 119.49 3b3o h MET 438 Ca 0.22 -0.13 0.03 0.00 0.00 0.00 0.00 59.70 59.82 3b3o h MET 438 Cb 0.33 -0.12 -0.04 0.00 0.00 0.00 0.00 31.60 31.77 3b3o h MET 438 CO -0.00 0.66 0.43 0.35 0.00 0.00 0.00 176.91 178.34 3b3o h PHE 439 N 0.66 0.80 -0.20 -0.22 3.04 -0.55 -0.52 116.94 119.95 3b3o h PHE 439 Ca 0.17 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.13 3b3o h PHE 439 Cb 0.19 -0.26 -0.01 0.00 2.56 0.00 0.00 35.95 38.43 3b3o h PHE 439 CO 0.00 0.46 0.09 -0.97 -2.02 0.00 0.00 178.31 175.88 3b3o h ASN 440 N 0.84 0.27 -0.65 0.41 -1.24 -0.90 -0.46 115.58 113.85 3b3o h ASN 440 Ca 0.27 -0.14 0.05 0.00 0.71 0.00 0.00 56.30 57.19 3b3o h ASN 440 Cb 0.01 -0.07 -0.05 0.00 0.73 0.00 0.00 38.32 38.94 3b3o h ASN 440 CO -0.10 0.34 0.37 1.88 -1.29 0.00 0.00 177.43 178.62 3b3o h TYR 441 N 0.19 0.68 -0.47 0.67 -1.99 -0.84 -1.85 116.97 113.36 3b3o h TYR 441 Ca 0.07 0.02 -0.07 0.00 2.00 0.00 0.00 58.73 60.75 3b3o h TYR 441 Cb 0.14 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.64 3b3o h TYR 441 CO -0.02 0.35 0.02 0.82 -0.00 0.00 0.00 178.16 179.33 3b3o h ILE 442 N 0.70 1.26 -0.57 -2.88 2.04 -0.82 -0.93 117.51 116.31 3b3o h ILE 442 Ca 0.28 -1.02 0.02 0.00 1.00 0.00 0.00 64.86 65.14 3b3o h ILE 442 Cb 0.14 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.18 3b3o h ILE 442 CO -0.16 0.36 0.35 0.00 0.00 0.00 0.00 178.15 178.70 3b3o h ASN 444 N 0.70 0.93 -0.11 0.00 2.35 -0.90 0.02 115.58 118.56 3b3o h ASN 444 Ca 0.22 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.90 3b3o h ASN 444 Cb 0.00 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 3b3o h ASN 444 CO -0.09 0.72 -0.01 -0.74 -1.65 0.00 0.00 177.43 175.66 3b3o h HIS 445 N 1.08 0.23 -0.57 1.19 -0.00 -0.49 -1.04 115.15 115.54 3b3o h HIS 445 Ca 0.28 -0.04 0.03 0.00 -0.00 0.00 0.00 60.37 60.64 3b3o h HIS 445 Cb -0.05 -0.06 -0.04 0.00 -0.00 0.00 0.00 27.41 27.26 3b3o h HIS 445 CO 0.00 0.47 0.34 0.28 -0.00 0.00 0.00 177.93 179.02 3b3o h VAL 446 N -0.08 1.06 -0.30 5.26 2.07 -0.24 0.15 116.25 124.16 3b3o h VAL 446 Ca 0.03 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.26 3b3o h VAL 446 Cb 0.38 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3b3o h VAL 446 CO 0.01 0.12 -0.02 0.50 0.02 0.00 0.00 177.57 178.20 3b3o h LYS 447 N 0.68 0.55 -0.24 1.57 3.64 -0.95 -0.63 116.57 121.19 3b3o h LYS 447 Ca 0.23 -0.19 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3b3o h LYS 447 Cb 0.03 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 3b3o h LYS 447 CO -0.10 0.71 0.14 -0.92 -2.27 0.00 0.00 179.45 177.01 3b3o h TYR 448 N 0.34 0.32 -0.40 1.91 3.20 -0.84 -1.67 116.97 119.83 3b3o h TYR 448 Ca 0.08 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 3b3o h TYR 448 Cb 0.47 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.62 3b3o h TYR 448 CO 0.04 0.25 -0.12 0.00 -1.64 0.00 0.00 178.16 176.70 3b3o h ALA 449 N 1.04 1.05 -0.11 1.82 0.00 -0.67 -3.06 119.26 119.34 3b3o h ALA 449 Ca 0.09 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3b3o h ALA 449 Cb 0.03 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3b3o h ALA 449 CO -0.02 0.58 -0.01 1.15 0.00 0.00 0.00 179.25 180.95 3b3o h THR 450 N 0.64 1.27 -6.72 0.00 2.02 -0.97 -0.50 112.91 108.65 3b3o h THR 450 Ca 0.11 -0.87 -0.55 0.00 0.77 0.00 0.00 66.41 65.88 3b3o h THR 450 Cb 0.57 1.64 -0.15 0.00 -1.74 0.00 0.00 68.15 68.47 3b3o h THR 450 CO 0.04 0.25 -0.89 -3.20 0.37 0.00 0.00 175.52 172.08 3b3o n ASN 451 N -4.79 -0.98 -2.23 4.18 5.15 -0.64 -0.61 115.26 115.34 3b3o n ASN 451 Ca -0.06 -1.08 -0.14 0.00 -0.60 0.00 0.00 54.58 52.71 3b3o n ASN 451 Cb 0.22 -2.60 -0.02 0.00 -0.53 0.00 0.00 39.78 36.85 3b3o n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3b3o n LYS 452 N -4.42 -1.98 0.00 1.20 5.02 -1.26 -1.79 118.16 114.93 3b3o n LYS 452 Ca -0.18 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 3b3o n LYS 452 Cb 0.62 -5.23 0.00 0.00 -0.02 0.00 0.00 35.03 30.40 3b3o n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3b3o n GLY 453 N -0.72 2.68 3.20 0.72 0.00 0.22 -4.92 105.19 106.37 3b3o n GLY 453 Ca -0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.43 3b3o n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3b3o n ASN 454 N 0.00 5.47 -4.64 1.61 4.05 -0.74 -0.47 115.26 120.54 3b3o n ASN 454 Ca 0.00 -3.10 -0.44 0.00 0.45 0.00 0.00 54.58 51.49 3b3o n ASN 454 Cb 0.00 -1.45 -0.01 0.00 1.23 0.00 0.00 39.78 39.54 3b3o n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3b3o n LEU 455 N 3.77 2.60 -4.04 1.20 4.32 -1.24 -4.51 117.00 119.10 3b3o n LEU 455 Ca 0.33 1.19 -0.24 0.00 -0.02 0.00 0.00 56.01 57.27 3b3o n LEU 455 Cb 0.38 -1.38 -0.16 0.00 -1.62 0.00 0.00 43.42 40.65 3b3o n LEU 455 CO 0.66 -0.96 -0.47 -0.13 -1.22 0.00 0.00 177.39 175.27 3b3o s ARG 456 N -1.60 1.55 0.31 3.23 0.52 -0.20 -5.00 118.95 117.76 3b3o s ARG 456 Ca 0.58 -0.42 -0.29 0.00 -0.52 0.00 0.00 55.73 55.08 3b3o s ARG 456 Cb -0.65 -1.32 -0.10 0.00 0.52 0.00 0.00 34.95 33.40 3b3o s ARG 456 CO 0.60 0.09 1.31 -1.12 0.02 0.00 0.00 175.30 176.19 3b3o s SER 457 N 0.45 6.80 0.10 0.23 0.01 -1.26 -4.44 113.70 115.59 3b3o s SER 457 Ca -0.10 2.64 -0.19 0.00 1.31 0.00 0.00 55.95 59.60 3b3o s SER 457 Cb -0.13 -2.64 0.05 0.00 0.21 0.00 0.00 66.02 63.50 3b3o s SER 457 CO 0.03 -0.52 0.47 0.00 0.41 0.00 0.00 173.24 173.62 3b3o s ALA 458 N -0.93 -1.16 -0.06 1.44 0.00 -0.67 -1.74 121.76 118.65 3b3o s ALA 458 Ca 0.50 0.27 -0.06 0.00 0.00 0.00 0.00 51.96 52.67 3b3o s ALA 458 Cb -0.39 0.58 0.02 0.00 0.00 0.00 0.00 23.12 23.33 3b3o s ALA 458 CO 0.50 -0.60 0.17 -1.50 0.00 0.00 0.00 175.76 174.34 3b3o s ILE 459 N -3.22 0.00 -0.12 0.00 2.07 -0.23 -0.46 121.20 119.25 3b3o s ILE 459 Ca -0.01 -0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.25 3b3o s ILE 459 Cb 0.00 -0.25 -0.00 0.00 0.13 0.00 0.00 42.46 42.34 3b3o s ILE 459 CO -0.08 -0.00 -0.20 -0.89 -1.91 0.00 0.00 174.94 171.86 3b3o s THR 460 N 0.08 2.40 -0.29 4.00 2.01 -0.25 0.01 115.64 123.59 3b3o s THR 460 Ca -0.00 -0.89 -0.00 0.00 0.31 0.00 0.00 61.69 61.10 3b3o s THR 460 Cb -0.01 -1.96 0.05 0.00 0.01 0.00 0.00 72.50 70.60 3b3o s THR 460 CO 0.00 0.55 -0.03 -0.63 -0.69 0.00 0.00 174.62 173.82 3b3o s ILE 461 N 0.41 2.76 0.71 1.82 1.01 -0.03 -3.10 121.20 124.77 3b3o s ILE 461 Ca -0.15 -1.48 -0.09 0.00 0.00 0.00 0.00 60.65 58.93 3b3o s ILE 461 Cb -0.17 -2.61 0.04 0.00 0.01 0.00 0.00 42.46 39.73 3b3o s ILE 461 CO 0.07 -0.10 1.06 -0.36 0.00 0.00 0.00 174.94 175.60 3b3o s PHE 462 N 1.20 3.14 0.27 3.97 0.08 -0.91 -0.96 117.98 124.76 3b3o s PHE 462 Ca -0.06 0.77 -0.28 0.00 0.12 0.00 0.00 56.93 57.48 3b3o s PHE 462 Cb -0.20 -3.13 -0.15 0.00 -0.57 0.00 0.00 43.02 38.98 3b3o s PHE 462 CO -0.02 -1.30 0.86 -2.30 -0.10 0.00 0.00 175.22 172.36 3b3o n PRO 463 N -2.97 0.95 -1.28 0.24 -0.02 -1.25 -4.72 135.00 125.95 3b3o n PRO 463 Ca 0.07 0.33 -0.30 0.00 -2.02 0.00 0.00 63.50 61.58 3b3o n PRO 463 Cb 0.59 -1.60 0.11 0.00 -0.02 0.00 0.00 33.50 32.58 3b3o n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3b3o s GLN 464 N -1.41 1.77 0.46 -0.52 -2.07 -1.26 -4.59 119.66 112.04 3b3o s GLN 464 Ca 0.60 0.92 -0.23 0.00 -1.82 0.00 0.00 55.36 54.83 3b3o s GLN 464 Cb -0.76 -1.86 -0.07 0.00 -1.09 0.00 0.00 33.01 29.23 3b3o s GLN 464 CO 0.59 -1.92 1.24 0.50 -1.32 0.00 0.00 175.29 174.38 3b3o s ARG 465 N -4.95 3.68 0.00 9.60 3.52 0.10 -4.92 118.95 125.99 3b3o s ARG 465 Ca 0.62 1.96 0.00 0.00 -0.13 0.00 0.00 55.73 58.18 3b3o s ARG 465 Cb -0.17 -2.46 0.00 0.00 -1.56 0.00 0.00 34.95 30.75 3b3o s ARG 465 CO 0.56 -0.66 0.00 0.25 -0.81 0.00 0.00 175.30 174.64 3b3o n THR 466 N -0.44 0.00 0.80 4.11 -2.24 -1.26 -4.74 114.28 110.50 3b3o n THR 466 Ca 0.07 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.97 3b3o n THR 466 Cb 0.46 -0.14 0.27 0.00 -2.10 0.00 0.00 70.33 68.82 3b3o n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3b3o n ASP 467 N -0.17 2.69 0.00 3.42 3.85 -1.26 -4.87 116.55 120.21 3b3o n ASP 467 Ca 0.00 -1.87 0.00 0.00 -0.71 0.00 0.00 54.79 52.21 3b3o n ASP 467 Cb 0.00 -0.15 0.00 0.00 -1.35 0.00 0.00 41.12 39.62 3b3o n ASP 467 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3b3o n GLY 468 N 1.34 0.82 0.38 6.12 0.00 -1.26 -4.80 105.19 107.79 3b3o n GLY 468 Ca 0.17 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.24 3b3o n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3b3o n LYS 469 N -2.19 0.42 -0.86 1.61 5.02 -1.26 -4.57 118.16 116.33 3b3o n LYS 469 Ca 0.00 -1.10 0.05 0.00 -2.02 0.00 0.00 58.31 55.24 3b3o n LYS 469 Cb 0.01 -1.18 0.12 0.00 -0.02 0.00 0.00 35.03 33.96 3b3o n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3b3o n HIS 470 N 0.52 0.00 -1.81 2.13 8.25 -1.26 -4.45 115.22 118.60 3b3o n HIS 470 Ca 0.06 -1.00 -0.38 0.00 -0.26 0.00 0.00 57.72 56.14 3b3o n HIS 470 Cb 0.24 -0.19 0.04 0.00 1.12 0.00 0.00 29.99 31.20 3b3o n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3b3o s ASP 471 N -2.61 5.22 -0.12 0.41 -0.00 -1.26 -2.46 116.67 115.85 3b3o s ASP 471 Ca 0.33 2.71 -0.10 0.00 -0.00 0.00 0.00 52.55 55.49 3b3o s ASP 471 Cb 0.34 -2.63 -0.05 0.00 -0.00 0.00 0.00 42.92 40.59 3b3o s ASP 471 CO -0.09 -1.60 0.22 -0.36 -0.00 0.00 0.00 175.17 173.34 3b3o s PHE 472 N -1.34 3.57 -0.05 4.23 0.40 -1.26 -0.41 117.98 123.12 3b3o s PHE 472 Ca 0.73 0.60 -0.09 0.00 -0.60 0.00 0.00 56.93 57.57 3b3o s PHE 472 Cb -0.39 -2.13 0.02 0.00 0.51 0.00 0.00 43.02 41.03 3b3o s PHE 472 CO 0.45 0.54 0.21 1.03 0.70 0.00 0.00 175.22 178.16 3b3o s ARG 473 N -0.51 0.39 -0.28 0.44 1.81 -0.42 -3.29 118.95 117.09 3b3o s ARG 473 Ca 0.16 0.01 -0.08 0.00 -1.72 0.00 0.00 55.73 54.10 3b3o s ARG 473 Cb -0.13 0.18 -0.02 0.00 -0.45 0.00 0.00 34.95 34.53 3b3o s ARG 473 CO 0.05 -0.08 0.10 0.08 -0.68 0.00 0.00 175.30 174.77 3b3o s VAL 474 N -0.57 4.38 0.28 3.52 1.01 -1.26 -1.37 120.40 126.39 3b3o s VAL 474 Ca -0.07 -0.34 0.08 0.00 0.00 0.00 0.00 61.98 61.66 3b3o s VAL 474 Cb -0.04 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.19 3b3o s VAL 474 CO 0.01 0.20 1.65 -0.50 0.00 0.00 0.00 175.10 176.47 3b3o h TRP 475 N 8.28 0.16 -4.07 5.22 4.06 -1.45 -3.42 115.95 124.73 3b3o h TRP 475 Ca -0.35 -0.05 -0.54 0.00 2.06 0.00 0.00 58.89 60.01 3b3o h TRP 475 Cb 1.16 -0.03 0.13 0.00 -1.00 0.00 0.00 29.16 29.42 3b3o h TRP 475 CO 0.65 0.62 0.54 -0.80 -3.56 0.00 0.00 178.44 175.90 3b3o s ASN 476 N -6.88 5.15 0.11 -3.49 -0.87 -1.26 -4.91 114.94 102.78 3b3o s ASN 476 Ca -0.03 2.59 0.07 0.00 -1.57 0.00 0.00 52.86 53.92 3b3o s ASN 476 Cb 0.13 -2.62 -0.21 0.00 -0.02 0.00 0.00 41.25 38.53 3b3o s ASN 476 CO 0.77 -1.64 1.23 0.77 -2.57 0.00 0.00 177.10 175.66 3b3o h SER 477 N 1.12 0.01 -4.08 -1.22 4.64 -1.89 -3.34 113.55 108.79 3b3o h SER 477 Ca -0.51 -0.01 -0.26 0.00 -0.47 0.00 0.00 61.79 60.54 3b3o h SER 477 Cb 1.31 -0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.13 3b3o h SER 477 CO 0.56 1.01 -0.73 -1.10 -0.87 0.00 0.00 176.83 175.70 3b3o s GLN 478 N -2.70 0.26 0.34 4.77 -0.21 -1.26 -0.61 119.66 120.24 3b3o s GLN 478 Ca 0.00 -0.24 0.05 0.00 0.02 0.00 0.00 55.36 55.20 3b3o s GLN 478 Cb 0.10 -0.17 0.69 0.00 1.00 0.00 0.00 33.01 34.62 3b3o s GLN 478 CO 0.82 0.04 1.91 -0.07 -2.12 0.00 0.00 175.29 175.87 3b3o h LEU 479 N 5.71 0.75 -8.04 2.90 3.38 -1.54 -3.38 115.31 115.09 3b3o h LEU 479 Ca -0.28 0.02 -0.62 0.00 0.09 0.00 0.00 57.88 57.09 3b3o h LEU 479 Cb 1.20 -0.14 -0.35 0.00 0.09 0.00 0.00 40.66 41.47 3b3o h LEU 479 CO 0.48 0.45 -0.85 -0.63 0.09 0.00 0.00 178.44 177.98 3b3o s ILE 480 N -5.76 1.73 0.14 1.22 1.01 -1.26 -4.88 121.20 113.40 3b3o s ILE 480 Ca -0.10 -0.77 -0.24 0.00 0.00 0.00 0.00 60.65 59.54 3b3o s ILE 480 Cb 0.20 -1.57 0.07 0.00 0.01 0.00 0.00 42.46 41.17 3b3o s ILE 480 CO 0.79 0.49 0.62 -0.13 0.00 0.00 0.00 174.94 176.71 3b3o s ARG 481 N 1.09 1.24 0.05 2.79 0.52 -1.26 -4.85 118.95 118.53 3b3o s ARG 481 Ca -0.03 -0.43 -0.10 0.00 -0.52 0.00 0.00 55.73 54.66 3b3o s ARG 481 Cb -0.14 0.57 -0.06 0.00 0.52 0.00 0.00 34.95 35.84 3b3o s ARG 481 CO -0.05 -0.54 0.38 0.71 0.02 0.00 0.00 175.30 175.82 3b3o s TYR 482 N -3.60 3.60 0.65 -0.53 1.51 -1.26 -1.22 117.35 116.51 3b3o s TYR 482 Ca 0.01 0.78 -0.17 0.00 -1.01 0.00 0.00 57.07 56.68 3b3o s TYR 482 Cb -0.01 -2.15 -0.00 0.00 -0.11 0.00 0.00 41.96 39.69 3b3o s TYR 482 CO -0.12 0.55 1.18 0.00 -1.11 0.00 0.00 175.55 176.06 3b3o s ALA 483 N -1.33 2.39 -0.05 3.71 0.00 -0.05 -4.42 121.76 122.01 3b3o s ALA 483 Ca 0.31 0.84 0.04 0.00 0.00 0.00 0.00 51.96 53.15 3b3o s ALA 483 Cb -0.14 -3.42 -0.00 0.00 0.00 0.00 0.00 23.12 19.56 3b3o s ALA 483 CO 0.17 -1.41 -0.18 0.20 0.00 0.00 0.00 175.76 174.54 3b3o s GLY 484 N -1.99 0.97 -0.07 0.00 0.00 -1.24 -1.50 107.32 103.49 3b3o s GLY 484 Ca 0.74 -0.72 0.03 0.00 0.00 0.00 0.00 44.72 44.76 3b3o s GLY 484 CO 0.39 -0.35 -0.13 -0.19 0.00 0.00 0.00 173.10 172.81 3b3o s TYR 485 N 0.07 1.55 -0.23 1.90 1.51 0.29 -4.05 117.35 118.39 3b3o s TYR 485 Ca -0.05 -0.57 -0.22 0.00 -1.01 0.00 0.00 57.07 55.22 3b3o s TYR 485 Cb -0.12 -1.12 -0.02 0.00 -0.11 0.00 0.00 41.96 40.59 3b3o s TYR 485 CO 0.03 -0.28 0.69 0.21 -1.11 0.00 0.00 175.55 175.09 3b3o s LYS 486 N 0.60 4.17 0.30 -0.62 2.47 -1.26 0.36 119.74 125.76 3b3o s LYS 486 Ca -0.14 0.70 -0.09 0.00 -1.56 0.00 0.00 55.97 54.88 3b3o s LYS 486 Cb -0.16 -3.62 -0.07 0.00 -1.46 0.00 0.00 37.83 32.52 3b3o s LYS 486 CO 0.04 -0.39 0.63 -0.65 0.16 0.00 0.00 175.35 175.14 3b3o s GLN 487 N 2.41 3.77 0.59 4.03 -1.52 -0.08 -4.98 119.66 123.88 3b3o s GLN 487 Ca 0.30 0.29 0.32 0.00 -1.95 0.00 0.00 55.36 54.32 3b3o s GLN 487 Cb -0.16 -2.55 1.86 0.00 -0.22 0.00 0.00 33.01 31.94 3b3o s GLN 487 CO 0.09 0.17 2.24 -1.00 -0.25 0.00 0.00 175.29 176.55 3b3o h PRO 488 N 1.92 0.00 0.00 2.91 0.13 -1.97 0.26 132.00 135.24 3b3o h PRO 488 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3b3o h PRO 488 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3b3o h PRO 488 CO 0.66 0.02 0.00 -0.40 -0.23 0.00 0.00 178.00 178.06 3b3o n ASP 489 N -3.66 0.00 0.00 1.44 3.85 -1.26 -4.88 116.55 112.03 3b3o n ASP 489 Ca -0.03 -1.06 0.00 0.00 -0.71 0.00 0.00 54.79 52.99 3b3o n ASP 489 Cb 0.11 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.88 3b3o n ASP 489 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3b3o n GLY 490 N 0.80 1.95 3.86 6.12 0.00 0.08 -5.06 105.19 112.94 3b3o n GLY 490 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3b3o n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b3o s SER 491 N -1.84 4.84 -0.06 1.61 1.04 -1.26 -4.78 113.70 113.26 3b3o s SER 491 Ca 0.00 1.08 0.06 0.00 0.48 0.00 0.00 55.95 57.57 3b3o s SER 491 Cb 0.00 -1.77 -0.01 0.00 0.10 0.00 0.00 66.02 64.34 3b3o s SER 491 CO 0.00 -1.72 -0.25 -0.89 0.98 0.00 0.00 173.24 171.36 3b3o s THR 492 N -3.35 2.03 -0.17 2.02 2.01 -1.26 -0.90 115.64 116.01 3b3o s THR 492 Ca 0.60 -1.05 -0.07 0.00 0.31 0.00 0.00 61.69 61.48 3b3o s THR 492 Cb -0.12 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.63 3b3o s THR 492 CO 0.52 0.56 0.07 -0.22 -0.69 0.00 0.00 174.62 174.86 3b3o s LEU 493 N -0.10 3.86 0.00 4.42 2.96 0.16 -4.92 118.68 125.05 3b3o s LEU 493 Ca -0.05 0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 3b3o s LEU 493 Cb -0.14 -1.97 0.00 0.00 0.50 0.00 0.00 46.19 44.58 3b3o s LEU 493 CO 0.04 0.21 0.00 0.61 -1.32 0.00 0.00 176.35 175.89 3b3o n GLY 494 N 3.30 0.03 3.49 7.98 0.00 -1.26 0.10 105.19 118.84 3b3o n GLY 494 Ca -0.17 -1.30 -0.43 0.00 0.00 0.00 0.00 46.02 44.12 3b3o n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3b3o s ASP 495 N -4.00 6.29 0.45 1.61 -1.08 -0.56 -4.81 116.67 114.57 3b3o s ASP 495 Ca 0.00 -0.55 0.22 0.00 -0.52 0.00 0.00 52.55 51.70 3b3o s ASP 495 Cb 0.00 -2.33 1.21 0.00 -1.46 0.00 0.00 42.92 40.35 3b3o s ASP 495 CO 0.00 -0.89 1.84 -0.65 0.52 0.00 0.00 175.17 175.99 3b3o h PRO 496 N 8.99 0.27 -0.05 4.34 0.11 -1.81 -1.21 132.00 142.64 3b3o h PRO 496 Ca -0.26 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.85 3b3o h PRO 496 Cb 1.09 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3b3o h PRO 496 CO 0.95 0.18 0.05 0.00 -0.21 0.00 0.00 178.00 178.97 3b3o h ALA 497 N 1.59 1.83 -0.45 -0.75 0.00 -1.92 -2.89 119.26 116.66 3b3o h ALA 497 Ca 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3b3o h ALA 497 Cb 1.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.23 3b3o h ALA 497 CO -0.15 -0.07 0.00 0.09 0.00 0.00 0.00 179.25 179.12 3b3o n ASN 498 N -4.18 4.05 -0.03 0.00 3.02 -0.46 -4.68 115.26 112.98 3b3o n ASN 498 Ca -0.02 -2.50 -0.09 0.00 -0.03 0.00 0.00 54.58 51.95 3b3o n ASN 498 Cb 0.14 -0.48 -0.02 0.00 -0.61 0.00 0.00 39.78 38.82 3b3o n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3b3o h VAL 499 N 2.88 0.47 -0.80 2.41 2.07 -1.60 0.30 116.25 121.98 3b3o h VAL 499 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3b3o h VAL 499 Cb 1.27 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 3b3o h VAL 499 CO 0.17 0.00 0.33 -0.61 0.02 0.00 0.00 177.57 177.49 3b3o h GLN 500 N -0.23 1.19 -0.38 1.57 4.15 -1.85 -0.43 115.11 119.13 3b3o h GLN 500 Ca 0.12 -0.21 -0.14 0.00 0.77 0.00 0.00 58.65 59.20 3b3o h GLN 500 Cb 0.41 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 3b3o h GLN 500 CO -0.33 0.95 -0.31 0.35 -1.93 0.00 0.00 178.83 177.56 3b3o h PHE 501 N 1.16 0.99 -0.50 3.99 3.57 -1.77 -2.31 116.94 122.07 3b3o h PHE 501 Ca 0.27 -0.27 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3b3o h PHE 501 Cb 0.20 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 3b3o h PHE 501 CO 0.02 1.05 0.26 1.15 -2.23 0.00 0.00 178.31 178.55 3b3o h THR 502 N 0.71 1.16 -0.52 4.41 2.02 0.10 -1.25 112.91 119.55 3b3o h THR 502 Ca 0.08 -0.42 -0.10 0.00 0.77 0.00 0.00 66.41 66.73 3b3o h THR 502 Cb 0.87 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3b3o h THR 502 CO 0.08 0.18 -0.08 -0.33 0.37 0.00 0.00 175.52 175.73 3b3o h GLU 503 N 0.69 0.97 -0.79 6.66 5.08 -0.76 -1.69 114.58 124.74 3b3o h GLU 503 Ca 0.18 -0.35 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 3b3o h GLU 503 Cb 0.04 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3b3o h GLU 503 CO -0.03 1.02 0.35 0.82 -1.00 0.00 0.00 179.01 180.17 3b3o h ILE 504 N 0.83 1.25 -0.48 3.13 2.04 -0.81 0.68 117.51 124.16 3b3o h ILE 504 Ca 0.14 -0.75 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 3b3o h ILE 504 Cb 0.64 0.27 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 3b3o h ILE 504 CO 0.04 0.31 0.16 0.00 0.00 0.00 0.00 178.15 178.67 3b3o h ILE 506 N 0.64 1.21 -0.98 0.00 2.04 -0.99 0.11 117.51 119.53 3b3o h ILE 506 Ca 0.16 -0.66 0.09 0.00 1.00 0.00 0.00 64.86 65.44 3b3o h ILE 506 Cb 0.25 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.49 3b3o h ILE 506 CO -0.01 0.21 0.63 -0.61 0.00 0.00 0.00 178.15 178.37 3b3o h GLN 507 N 0.17 1.04 0.00 2.37 4.15 -0.61 0.70 115.11 122.93 3b3o h GLN 507 Ca 0.07 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3b3o h GLN 507 Cb 0.27 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.72 3b3o h GLN 507 CO 0.00 0.69 0.00 1.04 -1.93 0.00 0.00 178.83 178.63 3b3o n GLN 508 N -4.54 0.66 0.00 1.69 1.13 -0.08 -4.84 117.38 111.41 3b3o n GLN 508 Ca 0.16 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 3b3o n GLN 508 Cb 0.25 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.10 3b3o n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3b3o n GLY 509 N 0.54 1.00 3.75 1.08 0.00 0.24 -4.90 105.19 106.90 3b3o n GLY 509 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3b3o n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3b3o s TRP 510 N -2.00 3.10 -0.60 1.61 -0.00 0.35 -4.95 118.94 116.45 3b3o s TRP 510 Ca 0.00 1.26 -0.17 0.00 -0.00 0.00 0.00 56.10 57.19 3b3o s TRP 510 Cb 0.00 -3.69 0.12 0.00 -0.00 0.00 0.00 33.47 29.90 3b3o s TRP 510 CO 0.00 -2.07 0.64 0.15 -0.00 0.00 0.00 176.95 175.67 3b3o s LYS 511 N -0.95 3.08 -0.13 5.86 -0.14 -1.26 -4.41 119.74 121.78 3b3o s LYS 511 Ca 0.54 -1.57 -0.29 0.00 -1.36 0.00 0.00 55.97 53.29 3b3o s LYS 511 Cb -0.39 -4.31 -0.03 0.00 -1.68 0.00 0.00 37.83 31.42 3b3o s LYS 511 CO 0.46 -1.45 1.35 0.00 -0.76 0.00 0.00 175.35 174.95 3b3o s ALA 512 N 2.08 3.64 -0.60 5.17 0.00 -1.26 -4.89 121.76 125.91 3b3o s ALA 512 Ca 0.09 0.59 0.21 0.00 0.00 0.00 0.00 51.96 52.85 3b3o s ALA 512 Cb -0.25 -3.64 0.89 0.00 0.00 0.00 0.00 23.12 20.12 3b3o s ALA 512 CO 0.03 -1.19 1.64 -0.35 0.00 0.00 0.00 175.76 175.90 3b3o n PRO 513 N 6.59 0.14 -3.70 0.00 -0.04 -1.26 -4.91 135.00 131.82 3b3o n PRO 513 Ca 0.14 0.39 -0.28 0.00 -0.04 0.00 0.00 63.50 63.71 3b3o n PRO 513 Cb 0.44 -1.78 0.03 0.00 -0.04 0.00 0.00 33.50 32.15 3b3o n PRO 513 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3b3o n ARG 514 N -2.06 -2.05 -1.61 0.54 1.74 -1.26 -5.02 116.66 106.94 3b3o n ARG 514 Ca 0.02 0.49 -0.00 0.00 -0.77 0.00 0.00 57.85 57.60 3b3o n ARG 514 Cb 0.20 -4.42 -0.00 0.00 -1.02 0.00 0.00 32.46 27.22 3b3o n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3b3o n GLY 515 N -1.69 3.28 0.12 -0.13 0.00 -1.26 -5.05 105.19 100.46 3b3o n GLY 515 Ca -0.15 -2.18 0.10 0.00 0.00 0.00 0.00 46.02 43.80 3b3o n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3b3o h ARG 516 N 0.00 0.00 -1.99 1.61 2.43 -1.93 -3.38 114.38 111.12 3b3o h ARG 516 Ca -0.00 0.00 -0.50 0.00 -0.81 0.00 0.00 59.98 58.67 3b3o h ARG 516 Cb 0.01 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.16 3b3o h ARG 516 CO 0.00 0.03 -1.17 1.19 -1.51 0.00 0.00 179.97 178.51 3b3o n PHE 517 N -2.72 0.03 -3.30 2.20 3.01 -1.26 -4.31 117.46 111.12 3b3o n PHE 517 Ca -0.01 -3.75 -0.39 0.00 1.01 0.00 0.00 57.45 54.32 3b3o n PHE 517 Cb 0.58 -0.40 -0.07 0.00 -0.01 0.00 0.00 39.48 39.58 3b3o n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3b3o s ASP 518 N -2.11 6.52 -0.04 4.37 1.01 -1.26 -4.94 116.67 120.22 3b3o s ASP 518 Ca 0.39 0.62 -0.30 0.00 0.71 0.00 0.00 52.55 53.97 3b3o s ASP 518 Cb 0.30 -2.27 -0.05 0.00 1.01 0.00 0.00 42.92 41.91 3b3o s ASP 518 CO -0.09 -0.14 1.55 -0.69 0.21 0.00 0.00 175.17 176.01 3b3o s VAL 519 N 1.50 3.62 0.60 -1.27 1.01 -1.26 -0.87 120.40 123.73 3b3o s VAL 519 Ca 0.22 0.87 -0.18 0.00 0.00 0.00 0.00 61.98 62.89 3b3o s VAL 519 Cb -0.15 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 3b3o s VAL 519 CO 0.09 -0.05 1.19 -0.76 0.00 0.00 0.00 175.10 175.58 3b3o s LEU 520 N 3.37 3.63 0.68 3.92 1.43 -0.36 -4.89 118.68 126.47 3b3o s LEU 520 Ca 0.69 2.34 -0.11 0.00 -1.03 0.00 0.00 54.13 56.02 3b3o s LEU 520 Cb -0.32 -4.59 -0.00 0.00 0.03 0.00 0.00 46.19 41.30 3b3o s LEU 520 CO 0.27 -1.61 1.07 -2.16 0.23 0.00 0.00 176.35 174.16 3b3o s PRO 521 N -3.41 3.10 0.21 1.29 0.04 -1.26 -4.77 135.00 130.20 3b3o s PRO 521 Ca 0.76 0.58 -0.21 0.00 0.04 0.00 0.00 61.00 62.17 3b3o s PRO 521 Cb -0.29 -2.04 -0.08 0.00 0.04 0.00 0.00 34.50 32.13 3b3o s PRO 521 CO 0.34 -0.89 0.75 -0.51 0.04 0.00 0.00 177.00 176.73 3b3o s LEU 522 N -5.31 4.41 -0.28 -3.56 1.43 0.13 -4.89 118.68 110.61 3b3o s LEU 522 Ca 0.57 1.50 0.02 0.00 -1.03 0.00 0.00 54.13 55.19 3b3o s LEU 522 Cb -0.11 -3.51 0.08 0.00 0.03 0.00 0.00 46.19 42.67 3b3o s LEU 522 CO 0.53 0.08 -0.01 -0.22 0.23 0.00 0.00 176.35 176.95 3b3o s LEU 523 N -1.74 3.30 -0.12 1.79 2.96 -1.26 -1.39 118.68 122.22 3b3o s LEU 523 Ca 0.41 -1.56 -0.01 0.00 -0.22 0.00 0.00 54.13 52.75 3b3o s LEU 523 Cb -0.18 -1.33 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 3b3o s LEU 523 CO 0.22 -0.29 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.10 3b3o s LEU 524 N 1.23 2.94 -0.21 -0.68 1.43 -0.41 -1.14 118.68 121.84 3b3o s LEU 524 Ca 0.01 -0.21 -0.03 0.00 -1.03 0.00 0.00 54.13 52.86 3b3o s LEU 524 Cb -0.19 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.36 3b3o s LEU 524 CO -0.09 0.21 -0.06 -1.58 0.23 0.00 0.00 176.35 175.06 3b3o s GLN 525 N 0.08 3.35 -0.05 1.70 0.74 -0.47 -0.86 119.66 124.14 3b3o s GLN 525 Ca -0.03 -0.64 0.04 0.00 0.05 0.00 0.00 55.36 54.77 3b3o s GLN 525 Cb -0.14 -2.96 -0.02 0.00 1.10 0.00 0.00 33.01 30.99 3b3o s GLN 525 CO 0.04 -0.17 -0.15 0.00 -0.55 0.00 0.00 175.29 174.45 3b3o s ALA 526 N 1.39 2.61 -1.21 1.58 0.00 -1.26 -1.31 121.76 123.56 3b3o s ALA 526 Ca 0.05 -0.99 -0.07 0.00 0.00 0.00 0.00 51.96 50.95 3b3o s ALA 526 Cb -0.14 -0.94 0.05 0.00 0.00 0.00 0.00 23.12 22.09 3b3o s ALA 526 CO -0.04 0.53 0.39 -1.71 0.00 0.00 0.00 175.76 174.93 3b3o n ASN 527 N 2.41 -3.75 0.00 0.00 4.05 -1.23 -1.13 115.26 115.62 3b3o n ASN 527 Ca -0.17 -0.25 0.00 0.00 0.45 0.00 0.00 54.58 54.61 3b3o n ASN 527 Cb 0.52 -3.12 0.00 0.00 1.23 0.00 0.00 39.78 38.41 3b3o n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3b3o n GLY 528 N -1.10 0.79 3.88 8.20 0.00 0.45 -4.53 105.19 112.89 3b3o n GLY 528 Ca -0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 3b3o n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3b3o s ASN 529 N -2.75 4.78 0.47 1.61 0.01 -0.28 -4.87 114.94 113.90 3b3o s ASN 529 Ca 0.00 0.94 -0.25 0.00 -0.71 0.00 0.00 52.86 52.84 3b3o s ASN 529 Cb 0.00 -1.56 -0.08 0.00 0.41 0.00 0.00 41.25 40.02 3b3o s ASN 529 CO 0.00 -1.75 1.43 0.47 -1.51 0.00 0.00 177.10 175.74 3b3o n ASP 530 N -3.24 3.26 -4.77 -1.22 8.00 -1.26 -4.32 116.55 113.00 3b3o n ASP 530 Ca 0.07 1.10 -0.31 0.00 0.71 0.00 0.00 54.79 56.36 3b3o n ASP 530 Cb 0.59 -1.60 0.09 0.00 -0.02 0.00 0.00 41.12 40.17 3b3o n ASP 530 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3b3o s PRO 531 N -2.51 2.34 0.09 -0.24 0.04 -1.26 -4.71 135.00 128.74 3b3o s PRO 531 Ca 0.63 1.18 0.06 0.00 0.04 0.00 0.00 61.00 62.91 3b3o s PRO 531 Cb -0.44 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.16 3b3o s PRO 531 CO 0.56 -1.58 -0.17 -1.21 0.04 0.00 0.00 177.00 174.65 3b3o s GLU 532 N -4.82 0.95 0.24 4.56 2.02 -0.04 -4.88 118.70 116.71 3b3o s GLU 532 Ca 0.62 -1.06 -0.11 0.00 0.02 0.00 0.00 54.97 54.44 3b3o s GLU 532 Cb -0.17 -1.03 -0.07 0.00 0.10 0.00 0.00 34.13 32.95 3b3o s GLU 532 CO 0.54 0.23 0.58 -0.51 0.02 0.00 0.00 175.26 176.13 3b3o s LEU 533 N -1.87 4.17 -0.18 1.80 1.43 -1.26 -1.28 118.68 121.49 3b3o s LEU 533 Ca 0.02 1.00 -0.17 0.00 -1.03 0.00 0.00 54.13 53.95 3b3o s LEU 533 Cb -0.10 -3.71 0.05 0.00 0.03 0.00 0.00 46.19 42.46 3b3o s LEU 533 CO 0.03 -0.08 0.49 -0.36 0.23 0.00 0.00 176.35 176.66 3b3o s PHE 534 N -1.81 -0.53 -0.24 0.29 0.40 -0.49 -4.98 117.98 110.63 3b3o s PHE 534 Ca 0.48 1.29 -0.10 0.00 -0.60 0.00 0.00 56.93 58.00 3b3o s PHE 534 Cb -0.11 0.18 -0.05 0.00 0.51 0.00 0.00 43.02 43.55 3b3o s PHE 534 CO 0.20 -0.26 0.14 -1.14 0.70 0.00 0.00 175.22 174.86 3b3o s GLN 535 N 0.22 4.01 0.08 0.44 0.74 -1.26 0.19 119.66 124.08 3b3o s GLN 535 Ca -0.00 -0.30 -0.31 0.00 0.05 0.00 0.00 55.36 54.79 3b3o s GLN 535 Cb -0.03 -3.48 -0.08 0.00 1.10 0.00 0.00 33.01 30.52 3b3o s GLN 535 CO 0.01 0.04 1.44 0.42 -0.55 0.00 0.00 175.29 176.65 3b3o s ILE 536 N 1.08 3.33 -0.23 -2.34 1.01 -1.26 -4.88 121.20 117.91 3b3o s ILE 536 Ca 0.07 0.89 -0.40 0.00 0.00 0.00 0.00 60.65 61.21 3b3o s ILE 536 Cb -0.14 -3.57 -0.16 0.00 0.01 0.00 0.00 42.46 38.60 3b3o s ILE 536 CO 0.04 0.04 1.69 -2.65 0.00 0.00 0.00 174.94 174.07 3b3o n PRO 537 N 4.49 1.15 -0.32 2.79 -0.02 -1.26 -4.82 135.00 137.01 3b3o n PRO 537 Ca 0.13 0.42 0.11 0.00 -2.02 0.00 0.00 63.50 62.14 3b3o n PRO 537 Cb 0.42 -2.10 0.29 0.00 -0.02 0.00 0.00 33.50 32.09 3b3o n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3b3o h PRO 538 N 6.84 0.62 0.00 0.52 0.11 -1.95 0.11 132.00 138.25 3b3o h PRO 538 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3b3o h PRO 538 Cb 1.32 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3b3o h PRO 538 CO 0.94 0.41 0.00 -0.85 -0.21 0.00 0.00 178.00 178.29 3b3o n GLU 539 N -4.86 0.09 0.02 1.05 0.00 -1.26 -0.84 120.64 114.83 3b3o n GLU 539 Ca 0.21 0.53 0.11 0.00 0.00 0.00 0.00 57.16 58.01 3b3o n GLU 539 Cb 0.54 -1.76 0.03 0.00 0.00 0.00 0.00 31.44 30.25 3b3o n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3b3o n LEU 540 N -1.95 0.64 -4.40 -1.84 4.32 0.37 -4.80 117.00 109.35 3b3o n LEU 540 Ca 0.00 -0.10 -0.44 0.00 -0.02 0.00 0.00 56.01 55.45 3b3o n LEU 540 Cb 0.07 -0.10 -0.05 0.00 -1.62 0.00 0.00 43.42 41.72 3b3o n LEU 540 CO 0.09 0.09 0.44 -0.69 -1.22 0.00 0.00 177.39 176.09 3b3o s VAL 541 N -3.14 4.77 0.08 4.08 1.01 -0.02 -4.78 120.40 122.40 3b3o s VAL 541 Ca 0.05 -0.81 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 3b3o s VAL 541 Cb 0.15 -4.48 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 3b3o s VAL 541 CO 0.80 -1.10 1.02 -0.22 0.00 0.00 0.00 175.10 175.60 3b3o s LEU 542 N 2.84 4.44 0.09 3.92 2.96 -1.26 -5.00 118.68 126.67 3b3o s LEU 542 Ca 0.14 1.83 0.03 0.00 -0.22 0.00 0.00 54.13 55.90 3b3o s LEU 542 Cb -0.22 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.85 3b3o s LEU 542 CO 0.08 -0.21 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.20 3b3o s GLU 543 N 0.42 0.81 -0.13 1.98 2.02 -1.26 -1.20 118.70 121.33 3b3o s GLU 543 Ca 0.51 -1.14 0.00 0.00 0.02 0.00 0.00 54.97 54.35 3b3o s GLU 543 Cb -0.24 -0.45 0.02 0.00 0.10 0.00 0.00 34.13 33.56 3b3o s GLU 543 CO 0.30 0.06 -0.12 0.08 0.02 0.00 0.00 175.26 175.60 3b3o s VAL 544 N -2.52 1.36 0.22 2.63 1.01 0.21 -4.90 120.40 118.40 3b3o s VAL 544 Ca 0.05 -0.50 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 3b3o s VAL 544 Cb -0.02 -1.30 -0.08 0.00 0.00 0.00 0.00 36.38 34.97 3b3o s VAL 544 CO -0.01 0.42 1.12 -2.84 0.00 0.00 0.00 175.10 173.79 3b3o s PRO 545 N 1.51 4.59 -0.14 2.72 0.02 -1.26 -1.83 135.00 140.61 3b3o s PRO 545 Ca 0.04 1.78 -0.17 0.00 0.02 0.00 0.00 61.00 62.67 3b3o s PRO 545 Cb -0.13 -3.23 -0.04 0.00 0.02 0.00 0.00 34.50 31.11 3b3o s PRO 545 CO -0.09 0.10 0.42 0.42 -0.33 0.00 0.00 177.00 177.52 3b3o s ILE 546 N -0.59 5.23 0.04 2.83 -1.09 0.16 -4.87 121.20 122.91 3b3o s ILE 546 Ca 0.48 0.82 -0.02 0.00 -2.23 0.00 0.00 60.65 59.69 3b3o s ILE 546 Cb -0.31 -3.76 -0.02 0.00 -1.58 0.00 0.00 42.46 36.79 3b3o s ILE 546 CO 0.38 0.34 0.02 0.00 -1.23 0.00 0.00 174.94 174.44 3b3o s ARG 547 N 0.63 0.53 -0.08 2.79 3.03 -1.26 -4.13 118.95 120.46 3b3o s ARG 547 Ca 0.23 -0.90 -0.04 0.00 2.03 0.00 0.00 55.73 57.04 3b3o s ARG 547 Cb -0.14 0.19 -0.04 0.00 -1.03 0.00 0.00 34.95 33.93 3b3o s ARG 547 CO 0.08 -0.11 0.10 -1.58 -1.13 0.00 0.00 175.30 172.66 3b3o s HIS 548 N -2.86 3.44 0.56 5.89 2.46 -1.26 -4.32 115.29 119.19 3b3o s HIS 548 Ca -0.03 0.37 0.36 0.00 0.47 0.00 0.00 55.06 56.23 3b3o s HIS 548 Cb 0.00 -1.85 1.98 0.00 -0.13 0.00 0.00 32.58 32.58 3b3o s HIS 548 CO -0.06 0.63 2.26 -1.00 -2.47 0.00 0.00 174.74 174.10 3b3o h PRO 549 N 4.70 0.00 0.00 2.88 0.13 -1.92 -3.29 132.00 134.50 3b3o h PRO 549 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3b3o h PRO 549 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3b3o h PRO 549 CO 0.59 0.02 -0.64 1.63 -0.23 0.00 0.00 178.00 179.38 3b3o n LYS 550 N -3.45 2.21 -3.22 0.86 5.02 -1.26 -4.96 118.16 113.36 3b3o n LYS 550 Ca -0.03 0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.82 3b3o n LYS 550 Cb 0.12 -0.82 -0.06 0.00 -0.02 0.00 0.00 35.03 34.25 3b3o n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3b3o s PHE 551 N -1.31 3.11 0.23 2.13 0.08 -1.24 -4.91 117.98 116.07 3b3o s PHE 551 Ca 0.00 -0.84 0.32 0.00 0.12 0.00 0.00 56.93 56.53 3b3o s PHE 551 Cb 0.00 -3.61 1.42 0.00 -0.57 0.00 0.00 43.02 40.26 3b3o s PHE 551 CO 0.00 -1.05 2.01 0.22 -0.10 0.00 0.00 175.22 176.31 3b3o h ASP 552 N 8.98 0.00 0.94 1.36 3.58 -1.93 -2.58 116.42 126.76 3b3o h ASP 552 Ca -0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.16 3b3o h ASP 552 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 3b3o h ASP 552 CO 0.99 0.07 -0.10 -2.67 -2.88 0.00 0.00 179.24 174.65 3b3o n TRP 553 N -3.25 0.06 -0.20 0.28 4.27 -1.26 -3.97 117.44 113.37 3b3o n TRP 553 Ca -0.00 0.02 -0.05 0.00 -3.89 0.00 0.00 57.50 53.57 3b3o n TRP 553 Cb 0.29 -0.48 0.04 0.00 -1.36 0.00 0.00 31.31 29.80 3b3o n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 3b3o h PHE 554 N 0.00 0.68 -0.23 -2.67 3.04 -1.82 -1.14 116.94 114.80 3b3o h PHE 554 Ca 0.00 0.02 0.07 0.00 3.98 0.00 0.00 57.97 62.03 3b3o h PHE 554 Cb 0.52 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 3b3o h PHE 554 CO 0.00 0.40 0.19 1.57 -2.02 0.00 0.00 178.31 178.45 3b3o h LYS 555 N 0.72 0.00 0.00 1.11 2.10 -1.72 -0.23 116.57 118.56 3b3o h LYS 555 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 3b3o h LYS 555 Cb -0.02 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 3b3o h LYS 555 CO -0.08 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.12 3b3o n ASP 556 N -4.22 0.00 0.02 7.07 8.00 -0.43 -2.10 116.55 124.88 3b3o n ASP 556 Ca 0.03 0.24 0.10 0.00 0.71 0.00 0.00 54.79 55.86 3b3o n ASP 556 Cb 0.33 -0.38 0.41 0.00 -0.02 0.00 0.00 41.12 41.46 3b3o n ASP 556 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3b3o n LEU 557 N -1.38 0.11 -1.98 0.64 4.77 -0.10 -4.89 117.00 114.16 3b3o n LEU 557 Ca 0.07 0.52 -0.15 0.00 -0.03 0.00 0.00 56.01 56.41 3b3o n LEU 557 Cb 0.17 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.77 3b3o n LEU 557 CO 0.15 -0.22 -0.09 0.61 -1.33 0.00 0.00 177.39 176.52 3b3o n GLY 558 N 0.44 -0.21 3.88 -0.72 0.00 -0.89 -5.01 105.19 102.69 3b3o n GLY 558 Ca 0.04 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 3b3o n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b3o s LEU 559 N -4.62 4.35 0.18 0.99 1.43 -1.26 -5.02 118.68 114.73 3b3o s LEU 559 Ca 0.12 0.60 -0.18 0.00 -1.03 0.00 0.00 54.13 53.64 3b3o s LEU 559 Cb -0.05 -2.82 0.04 0.00 0.03 0.00 0.00 46.19 43.38 3b3o s LEU 559 CO 0.15 0.21 0.52 -1.59 0.23 0.00 0.00 176.35 175.86 3b3o s LYS 560 N -1.92 1.31 0.08 1.70 -2.85 -1.26 0.40 119.74 117.21 3b3o s LYS 560 Ca 0.30 -0.77 -0.12 0.00 -1.00 0.00 0.00 55.97 54.39 3b3o s LYS 560 Cb -0.13 0.53 0.01 0.00 -2.06 0.00 0.00 37.83 36.18 3b3o s LYS 560 CO 0.18 -0.55 0.27 -0.46 0.10 0.00 0.00 175.35 174.88 3b3o s TRP 561 N -3.84 -0.00 0.44 1.78 -0.11 -0.76 -4.92 118.94 111.53 3b3o s TRP 561 Ca 0.07 -0.31 -0.21 0.00 1.22 0.00 0.00 56.10 56.87 3b3o s TRP 561 Cb -0.01 0.06 -0.11 0.00 -1.50 0.00 0.00 33.47 31.92 3b3o s TRP 561 CO -0.06 -0.57 0.96 1.52 -4.62 0.00 0.00 176.95 174.18 3b3o s TYR 562 N -3.45 3.32 -0.30 5.86 -0.85 -1.26 -0.62 117.35 120.04 3b3o s TYR 562 Ca 0.01 1.59 0.21 0.00 -0.52 0.00 0.00 57.07 58.36 3b3o s TYR 562 Cb 0.02 -2.85 0.16 0.00 0.38 0.00 0.00 41.96 39.67 3b3o s TYR 562 CO -0.09 -0.15 1.37 0.78 -1.52 0.00 0.00 175.55 175.94 3b3o h GLY 563 N 1.80 0.00 -7.39 5.49 0.00 -1.50 -3.45 103.07 98.01 3b3o h GLY 563 Ca -0.49 0.00 -0.73 0.00 0.00 0.00 0.00 47.33 46.11 3b3o h GLY 563 CO 0.61 0.00 -0.38 -2.27 0.00 0.00 0.00 176.54 174.50 3b3o s LEU 564 N -6.02 5.38 -0.30 3.11 2.96 -1.26 -4.51 118.68 118.03 3b3o s LEU 564 Ca 0.04 -1.17 -0.25 0.00 -0.22 0.00 0.00 54.13 52.52 3b3o s LEU 564 Cb 0.07 -2.16 0.01 0.00 0.50 0.00 0.00 46.19 44.61 3b3o s LEU 564 CO 0.73 -0.56 0.88 -2.16 -1.32 0.00 0.00 176.35 173.91 3b3o s PRO 565 N 1.64 4.01 -0.29 0.98 0.04 -1.26 -4.71 135.00 135.40 3b3o s PRO 565 Ca 0.04 0.76 -0.03 0.00 0.04 0.00 0.00 61.00 61.81 3b3o s PRO 565 Cb -0.22 -3.72 0.10 0.00 0.04 0.00 0.00 34.50 30.69 3b3o s PRO 565 CO 0.08 -0.73 0.12 0.00 0.04 0.00 0.00 177.00 176.51 3b3o s ALA 566 N 3.15 0.77 0.09 8.56 0.00 -1.26 -2.52 121.76 130.54 3b3o s ALA 566 Ca 0.36 -1.18 -0.31 0.00 0.00 0.00 0.00 51.96 50.83 3b3o s ALA 566 Cb -0.14 -1.43 -0.08 0.00 0.00 0.00 0.00 23.12 21.48 3b3o s ALA 566 CO 0.13 -1.65 1.48 0.08 0.00 0.00 0.00 175.76 175.79 3b3o s VAL 567 N 2.02 3.23 0.00 0.00 1.01 -0.31 -1.40 120.40 124.96 3b3o s VAL 567 Ca 0.09 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3b3o s VAL 567 Cb -0.16 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.70 3b3o s VAL 567 CO -0.35 0.03 0.66 -1.54 0.00 0.00 0.00 175.10 173.91 3b3o n SER 568 N 4.63 1.07 -0.57 3.32 3.41 0.22 -1.58 113.62 124.11 3b3o n SER 568 Ca 0.13 -1.44 0.06 0.00 -0.26 0.00 0.00 58.87 57.36 3b3o n SER 568 Cb 0.42 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.48 3b3o n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3b3o n ASN 569 N -0.22 2.54 -4.95 4.04 6.94 -1.20 -4.34 115.26 118.07 3b3o n ASN 569 Ca 0.00 -1.78 -0.23 0.00 -0.02 0.00 0.00 54.58 52.54 3b3o n ASN 569 Cb 0.27 -0.14 0.01 0.00 -2.36 0.00 0.00 39.78 37.55 3b3o n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3b3o s MET 570 N -0.98 3.16 -0.16 -3.83 -1.94 -1.26 -4.34 119.30 109.95 3b3o s MET 570 Ca 0.19 -0.43 -0.04 0.00 -1.71 0.00 0.00 55.69 53.70 3b3o s MET 570 Cb 0.11 -2.57 -0.03 0.00 2.01 0.00 0.00 34.83 34.35 3b3o s MET 570 CO 0.15 -0.19 -0.02 -1.17 -0.01 0.00 0.00 175.02 173.78 3b3o s LEU 571 N -4.52 3.34 -0.36 -0.03 0.20 0.74 -4.31 118.68 113.75 3b3o s LEU 571 Ca 0.47 -0.10 -0.15 0.00 0.69 0.00 0.00 54.13 55.04 3b3o s LEU 571 Cb -0.10 -1.82 -0.00 0.00 -0.43 0.00 0.00 46.19 43.84 3b3o s LEU 571 CO 0.38 0.16 0.35 -0.22 -0.29 0.00 0.00 176.35 176.73 3b3o s LEU 572 N 0.41 4.59 -0.25 -0.68 2.96 -0.67 0.03 118.68 125.07 3b3o s LEU 572 Ca -0.03 -0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 53.39 3b3o s LEU 572 Cb -0.14 -2.29 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 3b3o s LEU 572 CO 0.02 -0.37 0.12 -0.70 -1.32 0.00 0.00 176.35 174.11 3b3o s GLU 573 N 1.95 3.87 -0.12 1.98 2.12 0.87 -1.02 118.70 128.35 3b3o s GLU 573 Ca 0.10 -0.37 -0.01 0.00 0.36 0.00 0.00 54.97 55.05 3b3o s GLU 573 Cb -0.17 -3.44 0.03 0.00 0.26 0.00 0.00 34.13 30.81 3b3o s GLU 573 CO 0.12 -0.07 -0.03 0.42 -0.54 0.00 0.00 175.26 175.16 3b3o s ILE 574 N 1.35 0.72 -1.23 -3.70 1.01 -0.78 -1.59 121.20 116.98 3b3o s ILE 574 Ca 0.06 -0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.40 3b3o s ILE 574 Cb -0.15 -0.90 0.06 0.00 0.01 0.00 0.00 42.46 41.49 3b3o s ILE 574 CO 0.06 0.20 0.41 0.61 0.00 0.00 0.00 174.94 176.21 3b3o n GLY 575 N 5.02 -0.49 1.25 6.18 0.00 -1.26 -0.07 105.19 115.83 3b3o n GLY 575 Ca -0.10 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3b3o n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b3o n GLY 576 N -1.12 2.20 3.85 -0.02 0.00 -1.26 -3.19 105.19 105.65 3b3o n GLY 576 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3b3o n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b3o s LEU 577 N 0.00 3.92 -0.22 0.99 1.43 0.90 -4.99 118.68 120.71 3b3o s LEU 577 Ca 0.00 1.40 0.01 0.00 -1.03 0.00 0.00 54.13 54.51 3b3o s LEU 577 Cb 0.00 -4.25 0.03 0.00 0.03 0.00 0.00 46.19 42.00 3b3o s LEU 577 CO 0.00 -0.34 -0.14 -1.61 0.23 0.00 0.00 176.35 174.49 3b3o s GLU 578 N -3.35 2.73 -0.73 1.70 2.02 -1.26 -1.87 118.70 117.94 3b3o s GLU 578 Ca 0.56 -1.02 -0.11 0.00 0.02 0.00 0.00 54.97 54.43 3b3o s GLU 578 Cb -0.10 -2.77 0.19 0.00 0.10 0.00 0.00 34.13 31.55 3b3o s GLU 578 CO 0.21 -0.36 0.63 -0.06 0.02 0.00 0.00 175.26 175.69 3b3o s PHE 579 N 1.24 3.61 -0.12 1.61 0.40 -0.19 0.03 117.98 124.56 3b3o s PHE 579 Ca -0.00 -2.13 0.28 0.00 -0.60 0.00 0.00 56.93 54.48 3b3o s PHE 579 Cb -0.16 -3.62 1.32 0.00 0.51 0.00 0.00 43.02 41.06 3b3o s PHE 579 CO -0.08 -0.95 1.85 0.66 0.70 0.00 0.00 175.22 177.40 3b3o h SER 580 N 7.70 0.00 -3.44 1.36 4.64 -1.82 -1.79 113.55 120.20 3b3o h SER 580 Ca 0.02 0.00 -0.58 0.00 -0.47 0.00 0.00 61.79 60.76 3b3o h SER 580 Cb 1.02 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.72 3b3o h SER 580 CO 0.77 0.00 -0.77 0.00 -0.87 0.00 0.00 176.83 175.96 3b3o s ALA 581 N -3.57 1.70 -0.41 5.18 0.00 -1.21 -4.60 121.76 118.86 3b3o s ALA 581 Ca 0.01 -1.37 0.10 0.00 0.00 0.00 0.00 51.96 50.70 3b3o s ALA 581 Cb 0.09 -1.46 0.35 0.00 0.00 0.00 0.00 23.12 22.10 3b3o s ALA 581 CO 0.38 -1.34 0.96 0.00 0.00 0.00 0.00 175.76 175.76 3b3o n PRO 583 N 0.21 1.77 -4.11 0.00 -0.04 -1.18 -4.66 135.00 126.99 3b3o n PRO 583 Ca 0.14 0.63 -0.14 0.00 -0.04 0.00 0.00 63.50 64.08 3b3o n PRO 583 Cb 0.70 -2.24 -0.12 0.00 -0.04 0.00 0.00 33.50 31.80 3b3o n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3b3o s PHE 584 N -0.09 0.68 0.04 0.54 -0.12 -0.62 -1.09 117.98 117.32 3b3o s PHE 584 Ca 0.70 -0.39 -0.00 0.00 -0.05 0.00 0.00 56.93 57.18 3b3o s PHE 584 Cb -0.71 -0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 41.24 3b3o s PHE 584 CO 0.50 -0.05 -0.03 -1.54 -0.05 0.00 0.00 175.22 174.05 3b3o s SER 585 N -1.21 0.38 0.00 1.98 1.04 0.40 -1.16 113.70 115.13 3b3o s SER 585 Ca -0.06 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 55.61 3b3o s SER 585 Cb -0.08 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.19 3b3o s SER 585 CO 0.00 -0.45 0.00 0.61 0.98 0.00 0.00 173.24 174.38 3b3o n GLY 586 N 0.82 4.76 3.11 7.32 0.00 -1.05 -1.66 105.19 118.50 3b3o n GLY 586 Ca -0.19 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.06 3b3o n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3b3o s TRP 587 N 3.71 0.68 0.52 1.61 -2.14 -1.26 -4.41 118.94 117.65 3b3o s TRP 587 Ca 0.00 -0.87 -0.17 0.00 2.66 0.00 0.00 56.10 57.71 3b3o s TRP 587 Cb 0.00 -0.43 -0.07 0.00 -3.10 0.00 0.00 33.47 29.87 3b3o s TRP 587 CO 0.00 -0.22 1.00 0.71 -2.66 0.00 0.00 176.95 175.78 3b3o s TYR 588 N -3.22 3.27 -0.18 1.66 1.51 -1.26 -4.91 117.35 114.22 3b3o s TYR 588 Ca 0.05 1.51 -0.09 0.00 -1.01 0.00 0.00 57.07 57.53 3b3o s TYR 588 Cb 0.03 -2.88 -0.05 0.00 -0.11 0.00 0.00 41.96 38.95 3b3o s TYR 588 CO -0.05 -0.55 0.13 1.41 -1.11 0.00 0.00 175.55 175.37 3b3o s MET 589 N -3.85 3.99 0.27 -0.62 -2.45 -1.26 -1.57 119.30 113.81 3b3o s MET 589 Ca 0.61 -0.21 -0.08 0.00 -1.25 0.00 0.00 55.69 54.76 3b3o s MET 589 Cb -0.12 -3.34 0.44 0.00 1.25 0.00 0.00 34.83 33.06 3b3o s MET 589 CO 0.29 0.41 1.58 0.78 1.05 0.00 0.00 175.02 179.13 3b3o h GLY 590 N 6.27 0.72 1.66 2.11 0.00 -1.20 -1.82 103.07 110.81 3b3o h GLY 590 Ca -0.44 0.28 0.03 0.00 0.00 0.00 0.00 47.33 47.20 3b3o h GLY 590 CO 0.71 -0.36 0.14 -0.91 0.00 0.00 0.00 176.54 176.12 3b3o h THR 591 N 0.01 0.38 -0.77 4.70 1.35 -1.93 -1.16 112.91 115.48 3b3o h THR 591 Ca 0.45 0.00 0.01 0.00 -0.55 0.00 0.00 66.41 66.32 3b3o h THR 591 Cb 0.72 0.88 -0.04 0.00 -1.73 0.00 0.00 68.15 67.99 3b3o h THR 591 CO -0.92 0.00 0.51 -0.33 -0.25 0.00 0.00 175.52 174.53 3b3o h GLU 592 N 0.00 1.01 0.00 4.72 5.08 -1.74 -0.63 114.58 123.02 3b3o h GLU 592 Ca 0.05 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.27 3b3o h GLU 592 Cb 0.33 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3b3o h GLU 592 CO -0.00 0.67 -0.75 -0.89 -1.00 0.00 0.00 179.01 177.04 3b3o n ILE 593 N -4.42 1.45 -0.12 3.13 5.41 -0.59 -1.61 119.36 122.61 3b3o n ILE 593 Ca 0.09 0.14 0.01 0.00 1.00 0.00 0.00 62.75 63.99 3b3o n ILE 593 Cb 0.03 -2.28 0.31 0.00 -0.71 0.00 0.00 39.64 36.99 3b3o n ILE 593 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3b3o h GLY 594 N -1.00 0.85 0.00 7.39 0.00 -1.32 -0.58 103.07 108.40 3b3o h GLY 594 Ca -0.11 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3b3o h GLY 594 CO -0.07 0.33 -0.74 -0.62 0.00 0.00 0.00 176.54 175.45 3b3o n VAL 595 N -4.42 1.45 0.09 4.60 0.31 -0.29 -4.08 118.33 115.98 3b3o n VAL 595 Ca 0.06 0.18 -0.05 0.00 -0.01 0.00 0.00 64.34 64.52 3b3o n VAL 595 Cb 0.07 -2.37 -0.02 0.00 -0.91 0.00 0.00 33.84 30.61 3b3o n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3b3o h ARG 596 N -1.00 -0.30 -0.51 5.55 2.47 -1.48 -1.66 114.38 117.45 3b3o h ARG 596 Ca 0.00 0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.69 3b3o h ARG 596 Cb 0.74 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.10 3b3o h ARG 596 CO 0.00 -0.20 0.11 -0.44 0.56 0.00 0.00 179.97 180.00 3b3o h ASP 597 N -1.05 0.73 0.13 7.04 3.32 -1.19 -2.55 116.42 122.86 3b3o h ASP 597 Ca -0.03 -0.13 -0.33 0.00 0.02 0.00 0.00 57.03 56.56 3b3o h ASP 597 Cb 0.24 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3b3o h ASP 597 CO 0.05 0.73 -1.75 1.88 -1.72 0.00 0.00 179.24 178.43 3b3o h TYR 598 N 0.76 0.50 -0.01 4.55 0.99 -1.27 -2.06 116.97 120.43 3b3o h TYR 598 Ca 0.17 -0.37 0.00 0.00 2.00 0.00 0.00 58.73 60.53 3b3o h TYR 598 Cb 0.29 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.00 3b3o h TYR 598 CO 0.02 1.69 -0.58 0.00 -0.00 0.00 0.00 178.16 179.28 3b3o n ASP 600 N -0.76 2.90 0.23 0.00 10.43 -0.96 -4.65 116.55 123.75 3b3o n ASP 600 Ca 0.05 1.09 0.07 0.00 2.57 0.00 0.00 54.79 58.57 3b3o n ASP 600 Cb 0.31 -1.56 0.56 0.00 1.84 0.00 0.00 41.12 42.27 3b3o n ASP 600 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 3b3o h ASN 601 N 2.05 0.00 -0.48 -2.24 -0.26 -1.92 -2.57 115.58 110.16 3b3o h ASN 601 Ca -0.50 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.24 3b3o h ASN 601 Cb 1.29 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.55 3b3o h ASN 601 CO 0.60 0.16 0.00 -1.20 -1.06 0.00 0.00 177.43 175.93 3b3o n SER 602 N -4.20 2.78 0.00 5.81 7.64 -1.26 -4.67 113.62 119.72 3b3o n SER 602 Ca -0.02 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.89 3b3o n SER 602 Cb 0.24 -0.32 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 3b3o n SER 602 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3b3o n ARG 603 N 1.02 1.06 0.21 1.43 5.12 -0.99 -4.21 116.66 120.31 3b3o n ARG 603 Ca 0.18 0.00 0.07 0.00 -1.93 0.00 0.00 57.85 56.17 3b3o n ARG 603 Cb 0.45 0.00 0.47 0.00 -1.16 0.00 0.00 32.46 32.23 3b3o n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3b3o h TYR 604 N 0.00 0.00 -6.23 -1.55 -1.99 -1.51 -3.41 116.97 102.28 3b3o h TYR 604 Ca 0.00 0.00 -0.39 0.00 2.00 0.00 0.00 58.73 60.34 3b3o h TYR 604 Cb 0.00 0.00 0.06 0.00 2.00 0.00 0.00 36.73 38.79 3b3o h TYR 604 CO 0.00 0.28 -0.84 -1.71 -0.00 0.00 0.00 178.16 175.90 3b3o n ASN 605 N -3.80 -5.56 -0.97 3.88 4.05 0.57 -4.92 115.26 108.51 3b3o n ASN 605 Ca -0.01 -0.89 0.12 0.00 0.45 0.00 0.00 54.58 54.25 3b3o n ASN 605 Cb 0.37 -3.27 0.23 0.00 1.23 0.00 0.00 39.78 38.34 3b3o n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3b3o n ILE 606 N -3.60 0.29 -0.17 -1.44 -5.35 -0.45 -4.60 119.36 104.04 3b3o n ILE 606 Ca -0.12 -0.59 -0.02 0.00 -0.27 0.00 0.00 62.75 61.76 3b3o n ILE 606 Cb 0.59 1.00 0.07 0.00 -1.74 0.00 0.00 39.64 39.56 3b3o n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3b3o h LEU 607 N 4.06 -0.18 0.57 7.28 3.38 -1.88 -1.93 115.31 126.62 3b3o h LEU 607 Ca 0.00 0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3b3o h LEU 607 Cb 0.88 0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3b3o h LEU 607 CO 0.00 -0.06 -0.29 -0.33 0.09 0.00 0.00 178.44 177.86 3b3o h GLU 608 N 0.14 -0.75 -0.92 1.13 5.08 -1.99 0.68 114.58 117.94 3b3o h GLU 608 Ca 0.26 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.82 3b3o h GLU 608 Cb 0.39 0.17 -0.08 0.00 0.50 0.00 0.00 28.75 29.74 3b3o h GLU 608 CO -0.42 -0.50 0.59 1.49 -1.00 0.00 0.00 179.01 179.17 3b3o h GLU 609 N -0.78 0.71 -0.17 2.33 4.81 -1.85 0.15 114.58 119.78 3b3o h GLU 609 Ca -0.08 -0.04 -0.21 0.00 -0.13 0.00 0.00 59.36 58.90 3b3o h GLU 609 Cb 0.61 -0.16 0.01 0.00 0.63 0.00 0.00 28.75 29.84 3b3o h GLU 609 CO 0.12 0.47 -0.71 0.28 -0.73 0.00 0.00 179.01 178.44 3b3o h VAL 610 N 0.73 1.29 -0.70 0.32 2.07 -1.09 -3.01 116.25 115.86 3b3o h VAL 610 Ca 0.47 -1.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.03 3b3o h VAL 610 Cb 0.73 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.43 3b3o h VAL 610 CO -0.23 0.61 0.23 0.00 0.02 0.00 0.00 177.57 178.19 3b3o h ALA 611 N 0.56 1.09 0.60 1.67 0.00 0.64 -2.52 119.26 121.29 3b3o h ALA 611 Ca -0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3b3o h ALA 611 Cb 1.34 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3b3o h ALA 611 CO 0.15 0.63 -0.39 0.87 0.00 0.00 0.00 179.25 180.50 3b3o h LYS 612 N 1.02 -0.91 -0.81 0.00 1.57 -0.78 -1.60 116.57 115.06 3b3o h LYS 612 Ca 0.23 0.06 0.19 0.00 -1.87 0.00 0.00 60.65 59.26 3b3o h LYS 612 Cb 0.27 0.21 -0.12 0.00 0.08 0.00 0.00 32.23 32.67 3b3o h LYS 612 CO -0.01 -0.61 0.27 0.87 -0.57 0.00 0.00 179.45 179.40 3b3o h LYS 613 N -0.95 0.32 0.00 3.15 1.79 -1.41 1.29 116.57 120.76 3b3o h LYS 613 Ca -0.07 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 3b3o h LYS 613 Cb 0.77 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 3b3o h LYS 613 CO 0.06 0.21 0.00 -1.33 -1.08 0.00 0.00 179.45 177.31 3b3o n MET 614 N -5.11 0.09 -3.43 3.15 2.81 -0.96 -4.90 117.12 108.76 3b3o n MET 614 Ca 0.18 0.27 -0.20 0.00 -1.81 0.00 0.00 57.70 56.13 3b3o n MET 614 Cb 0.54 -1.66 0.06 0.00 -0.71 0.00 0.00 33.22 31.46 3b3o n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3b3o n ASP 615 N -1.83 -5.23 -4.93 7.83 4.64 0.44 -5.00 116.55 112.47 3b3o n ASP 615 Ca 0.04 -0.80 -0.25 0.00 -1.38 0.00 0.00 54.79 52.40 3b3o n ASP 615 Cb 0.24 -4.59 -0.01 0.00 -1.04 0.00 0.00 41.12 35.72 3b3o n ASP 615 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3b3o s LEU 616 N -5.92 3.93 -0.68 -2.67 1.43 -0.96 -5.01 118.68 108.82 3b3o s LEU 616 Ca 0.37 0.58 -0.27 0.00 -1.03 0.00 0.00 54.13 53.78 3b3o s LEU 616 Cb -0.08 -3.46 0.02 0.00 0.03 0.00 0.00 46.19 42.71 3b3o s LEU 616 CO 0.78 -0.35 1.35 -0.62 0.23 0.00 0.00 176.35 177.74 3b3o s ASP 617 N -3.96 6.11 -0.09 2.29 3.68 -1.26 -4.83 116.67 118.61 3b3o s ASP 617 Ca 0.42 -0.18 0.17 0.00 2.13 0.00 0.00 52.55 55.09 3b3o s ASP 617 Cb -0.10 -2.55 0.65 0.00 -1.45 0.00 0.00 42.92 39.47 3b3o s ASP 617 CO 0.37 -1.82 1.54 0.23 0.13 0.00 0.00 175.17 175.62 3b3o n MET 618 N 9.11 3.38 0.18 4.34 2.81 -1.26 -4.34 117.12 131.35 3b3o n MET 618 Ca 0.07 -2.56 0.06 0.00 -1.81 0.00 0.00 57.70 53.45 3b3o n MET 618 Cb 0.49 -1.81 0.31 0.00 -0.71 0.00 0.00 33.22 31.51 3b3o n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3b3o h ARG 619 N 3.72 0.00 -3.04 0.03 3.08 -2.04 -3.44 114.38 112.69 3b3o h ARG 619 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 3b3o h ARG 619 Cb 1.29 0.00 -0.28 0.00 0.08 0.00 0.00 29.97 31.06 3b3o h ARG 619 CO 0.19 0.38 -0.45 -1.59 -1.07 0.00 0.00 179.97 177.43 3b3o s LYS 620 N -3.53 0.25 0.56 0.04 -2.85 -1.26 -5.04 119.74 107.91 3b3o s LYS 620 Ca 0.01 0.47 0.27 0.00 -1.00 0.00 0.00 55.97 55.71 3b3o s LYS 620 Cb 0.10 -0.00 1.47 0.00 -2.06 0.00 0.00 37.83 37.34 3b3o s LYS 620 CO 0.69 -0.11 2.01 1.79 0.10 0.00 0.00 175.35 179.83 3b3o h THR 621 N 5.38 0.61 0.00 3.79 1.35 -1.90 -1.86 112.91 120.27 3b3o h THR 621 Ca -0.34 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3b3o h THR 621 Cb 1.17 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3b3o h THR 621 CO 0.36 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.09 3b3o n SER 622 N -4.12 0.00 0.07 5.36 3.41 -1.26 -0.46 113.62 116.62 3b3o n SER 622 Ca 0.07 -0.39 0.12 0.00 -0.26 0.00 0.00 58.87 58.41 3b3o n SER 622 Cb 0.53 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.72 3b3o n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3b3o n SER 623 N -0.97 0.72 -3.04 4.04 3.41 -0.70 -4.93 113.62 112.14 3b3o n SER 623 Ca 0.08 0.24 -0.21 0.00 -0.26 0.00 0.00 58.87 58.73 3b3o n SER 623 Cb 0.04 -0.10 0.06 0.00 -0.26 0.00 0.00 64.21 63.94 3b3o n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3b3o n LEU 624 N -2.13 -2.99 -0.04 1.04 4.77 0.39 -4.90 117.00 113.14 3b3o n LEU 624 Ca 0.04 -0.39 -0.04 0.00 -0.03 0.00 0.00 56.01 55.59 3b3o n LEU 624 Cb 0.43 -2.74 0.20 0.00 -2.33 0.00 0.00 43.42 38.97 3b3o n LEU 624 CO 0.35 0.44 0.82 4.11 -1.33 0.00 0.00 177.39 181.78 3b3o h TRP 625 N -1.96 0.68 -0.71 -1.77 5.08 -1.82 -1.19 115.95 114.26 3b3o h TRP 625 Ca -0.50 -0.11 -0.03 0.00 1.08 0.00 0.00 58.89 59.33 3b3o h TRP 625 Cb 1.33 -0.18 -0.03 0.00 -3.00 0.00 0.00 29.16 27.28 3b3o h TRP 625 CO 0.45 0.71 0.31 0.87 -1.28 0.00 0.00 178.44 179.51 3b3o h LYS 626 N 0.58 1.04 -0.40 0.12 1.57 -1.90 -1.44 116.57 116.14 3b3o h LYS 626 Ca 0.10 -0.17 -0.11 0.00 -1.87 0.00 0.00 60.65 58.60 3b3o h LYS 626 Cb 0.53 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3b3o h LYS 626 CO 0.03 0.84 -0.21 -0.44 -0.57 0.00 0.00 179.45 179.11 3b3o h ASP 627 N 1.00 0.79 -0.22 0.86 5.19 -1.86 -1.51 116.42 120.67 3b3o h ASP 627 Ca 0.24 -0.28 -0.05 0.00 -0.62 0.00 0.00 57.03 56.33 3b3o h ASP 627 Cb 0.16 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 3b3o h ASP 627 CO -0.03 0.98 -0.05 1.56 -3.12 0.00 0.00 179.24 178.58 3b3o h GLN 628 N 0.68 0.42 -0.40 3.56 4.20 -0.89 -2.47 115.11 120.21 3b3o h GLN 628 Ca 0.10 -0.16 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 3b3o h GLN 628 Cb 0.71 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 3b3o h GLN 628 CO 0.05 0.66 -0.03 0.00 -0.67 0.00 0.00 178.83 178.84 3b3o h ALA 629 N 0.75 1.19 -0.56 3.87 0.00 -1.25 -2.79 119.26 120.47 3b3o h ALA 629 Ca 0.06 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3b3o h ALA 629 Cb 0.50 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3b3o h ALA 629 CO 0.02 0.52 0.35 1.25 0.00 0.00 0.00 179.25 181.39 3b3o h LEU 630 N 0.62 0.66 -0.04 0.00 5.85 -1.13 -1.17 115.31 120.10 3b3o h LEU 630 Ca 0.12 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3b3o h LEU 630 Cb 0.44 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 3b3o h LEU 630 CO 0.02 0.52 0.02 0.58 -0.34 0.00 0.00 178.44 179.24 3b3o h VAL 631 N 0.75 1.06 -0.67 1.05 2.07 -1.19 -2.18 116.25 117.14 3b3o h VAL 631 Ca 0.20 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.61 3b3o h VAL 631 Cb -0.03 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 3b3o h VAL 631 CO -0.04 0.05 0.39 -0.33 0.02 0.00 0.00 177.57 177.65 3b3o h GLU 632 N 0.00 0.70 -0.81 1.57 4.39 -1.24 -0.70 114.58 118.49 3b3o h GLU 632 Ca 0.02 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 3b3o h GLU 632 Cb 0.06 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.51 3b3o h GLU 632 CO -0.00 0.46 0.50 0.82 -1.16 0.00 0.00 179.01 179.63 3b3o h ILE 633 N 0.72 1.22 0.00 3.13 2.04 -1.08 -0.92 117.51 122.62 3b3o h ILE 633 Ca 0.29 -0.46 -0.10 0.00 1.00 0.00 0.00 64.86 65.60 3b3o h ILE 633 Cb 0.15 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 3b3o h ILE 633 CO -0.16 0.22 -0.48 0.78 0.00 0.00 0.00 178.15 178.51 3b3o h ASN 634 N 1.10 0.00 -0.32 1.72 2.35 -0.78 -1.89 115.58 117.77 3b3o h ASN 634 Ca 0.29 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.93 3b3o h ASN 634 Cb -0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.29 3b3o h ASN 634 CO -0.06 0.48 -0.22 0.40 -1.65 0.00 0.00 177.43 176.38 3b3o h ILE 635 N 0.00 1.29 -0.93 2.81 2.04 -0.58 -2.60 117.51 119.55 3b3o h ILE 635 Ca -0.00 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.50 3b3o h ILE 635 Cb 0.93 1.47 -0.05 0.00 -0.74 0.00 0.00 36.82 38.44 3b3o h ILE 635 CO 0.06 0.44 0.58 0.00 0.00 0.00 0.00 178.15 179.24 3b3o h ALA 636 N 0.75 1.19 0.11 1.87 0.00 -0.89 -0.33 119.26 121.95 3b3o h ALA 636 Ca 0.06 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3b3o h ALA 636 Cb 0.77 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3b3o h ALA 636 CO 0.06 0.62 -0.05 0.28 0.00 0.00 0.00 179.25 180.16 3b3o h VAL 637 N 1.28 1.04 0.14 0.00 2.07 -1.26 -1.49 116.25 118.02 3b3o h VAL 637 Ca 0.34 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 3b3o h VAL 637 Cb -0.09 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 3b3o h VAL 637 CO -0.07 0.13 -0.08 -0.07 0.02 0.00 0.00 177.57 177.50 3b3o h LEU 638 N -0.40 -0.21 -0.52 2.57 3.38 -1.34 -2.25 115.31 116.54 3b3o h LEU 638 Ca -0.01 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.07 3b3o h LEU 638 Cb 0.33 0.06 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 3b3o h LEU 638 CO 0.02 -0.14 -0.05 0.22 0.09 0.00 0.00 178.44 178.59 3b3o h TYR 639 N -0.22 -0.13 0.78 1.13 3.20 -1.06 -0.85 116.97 119.82 3b3o h TYR 639 Ca -0.01 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 3b3o h TYR 639 Cb 0.18 0.14 0.01 0.00 1.54 0.00 0.00 36.73 38.60 3b3o h TYR 639 CO -0.08 -0.17 -0.37 0.77 -1.64 0.00 0.00 178.16 176.67 3b3o h SER 640 N 0.07 -0.89 -0.46 -2.11 0.02 -1.13 -0.64 113.55 108.41 3b3o h SER 640 Ca 0.26 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.33 3b3o h SER 640 Cb 0.41 0.23 -0.09 0.00 0.14 0.00 0.00 62.40 63.08 3b3o h SER 640 CO -0.48 -0.60 -0.15 -0.26 -1.14 0.00 0.00 176.83 174.20 3b3o h PHE 641 N -1.11 -0.36 -0.20 3.45 -1.00 -1.19 0.58 116.94 117.11 3b3o h PHE 641 Ca -0.11 0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.70 3b3o h PHE 641 Cb 0.81 0.23 -0.01 0.00 3.61 0.00 0.00 35.95 40.59 3b3o h PHE 641 CO -0.01 -0.24 0.04 1.96 -1.61 0.00 0.00 178.31 178.45 3b3o h GLN 642 N -0.05 0.29 -0.04 1.51 4.20 -1.10 -0.92 115.11 118.99 3b3o h GLN 642 Ca 0.22 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.73 3b3o h GLN 642 Cb 0.39 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3b3o h GLN 642 CO -0.50 0.28 -0.72 0.77 -0.67 0.00 0.00 178.83 177.99 3b3o h SER 643 N 0.29 0.28 -0.36 1.46 0.02 0.65 -2.86 113.55 113.03 3b3o h SER 643 Ca 0.07 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 3b3o h SER 643 Cb 0.13 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.58 3b3o h SER 643 CO -0.00 0.91 0.00 0.47 -1.14 0.00 0.00 176.83 177.06 3b3o n ASP 644 N -3.79 2.37 -3.67 3.07 8.00 -0.07 -4.94 116.55 117.53 3b3o n ASP 644 Ca -0.03 -1.91 -0.23 0.00 0.71 0.00 0.00 54.79 53.33 3b3o n ASP 644 Cb 0.70 -0.24 0.06 0.00 -0.02 0.00 0.00 41.12 41.61 3b3o n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3b3o n LYS 645 N 0.79 -6.28 -4.01 -1.24 5.02 -0.64 -4.99 118.16 106.80 3b3o n LYS 645 Ca 0.16 0.72 -0.35 0.00 -2.02 0.00 0.00 58.31 56.82 3b3o n LYS 645 Cb 0.40 -5.60 -0.13 0.00 -0.02 0.00 0.00 35.03 29.68 3b3o n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3b3o s VAL 646 N -3.41 3.73 0.25 -0.18 1.01 -0.44 -4.26 120.40 117.09 3b3o s VAL 646 Ca 0.33 -0.38 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 3b3o s VAL 646 Cb -0.15 -2.69 -0.14 0.00 0.00 0.00 0.00 36.38 33.39 3b3o s VAL 646 CO 0.78 0.42 1.08 0.41 0.00 0.00 0.00 175.10 177.79 3b3o n THR 647 N 4.49 1.59 -3.57 3.92 -1.04 0.38 -4.33 114.28 115.72 3b3o n THR 647 Ca -0.17 -0.40 -0.11 0.00 -2.04 0.00 0.00 64.05 61.33 3b3o n THR 647 Cb 0.51 -0.99 -0.05 0.00 -1.82 0.00 0.00 70.33 67.98 3b3o n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3b3o s ILE 648 N -0.72 0.00 -0.02 12.58 2.07 -1.26 -4.37 121.20 129.48 3b3o s ILE 648 Ca 0.64 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.92 3b3o s ILE 648 Cb -0.74 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 40.84 3b3o s ILE 648 CO 0.57 0.00 -0.15 0.54 -1.91 0.00 0.00 174.94 173.98 3b3o s VAL 649 N -1.04 1.22 0.63 4.00 0.11 -0.61 -4.99 120.40 119.72 3b3o s VAL 649 Ca -0.03 -0.65 -0.09 0.00 -2.93 0.00 0.00 61.98 58.28 3b3o s VAL 649 Cb -0.01 -1.03 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 3b3o s VAL 649 CO 0.02 0.35 0.99 1.51 -3.33 0.00 0.00 175.10 174.64 3b3o s ASP 650 N -0.28 5.79 0.53 3.54 -4.77 -1.26 -0.63 116.67 119.58 3b3o s ASP 650 Ca 0.04 1.07 0.31 0.00 -3.30 0.00 0.00 52.55 50.67 3b3o s ASP 650 Cb -0.07 -2.05 1.44 0.00 -1.09 0.00 0.00 42.92 41.15 3b3o s ASP 650 CO -0.00 -1.05 2.03 1.12 0.70 0.00 0.00 175.17 177.97 3b3o h HIS 651 N -0.33 0.00 0.14 2.11 2.07 -1.98 -0.74 115.15 116.41 3b3o h HIS 651 Ca -0.45 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.06 3b3o h HIS 651 Cb 1.23 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.21 3b3o h HIS 651 CO 0.54 0.10 -0.07 0.45 -3.07 0.00 0.00 177.93 175.88 3b3o h HIS 652 N 0.00 -0.17 -0.45 6.12 3.86 -1.95 -2.43 115.15 120.11 3b3o h HIS 652 Ca -0.00 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 3b3o h HIS 652 Cb 0.43 0.06 -0.04 0.00 1.06 0.00 0.00 27.41 28.91 3b3o h HIS 652 CO 0.00 0.28 0.20 1.03 0.86 0.00 0.00 177.93 180.30 3b3o h SER 653 N -0.88 0.27 -0.71 2.45 0.87 -1.93 -1.16 113.55 112.46 3b3o h SER 653 Ca -0.02 0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.52 3b3o h SER 653 Cb 0.53 -0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 3b3o h SER 653 CO 0.03 0.19 0.21 0.00 -0.53 0.00 0.00 176.83 176.74 3b3o h ALA 654 N 1.26 0.93 -0.11 6.23 0.00 -1.22 -0.98 119.26 125.37 3b3o h ALA 654 Ca 0.20 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 3b3o h ALA 654 Cb 0.15 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3b3o h ALA 654 CO -0.17 0.62 -0.74 1.79 0.00 0.00 0.00 179.25 180.75 3b3o h THR 655 N 1.05 1.34 -0.71 0.00 1.35 -1.27 -1.26 112.91 113.41 3b3o h THR 655 Ca 0.23 -2.07 -0.02 0.00 -0.55 0.00 0.00 66.41 63.99 3b3o h THR 655 Cb 0.31 2.05 -0.03 0.00 -1.73 0.00 0.00 68.15 68.75 3b3o h THR 655 CO -0.01 0.63 0.36 -0.08 -0.25 0.00 0.00 175.52 176.18 3b3o h GLU 656 N 0.37 1.02 -0.47 4.72 4.81 -1.05 -1.50 114.58 122.47 3b3o h GLU 656 Ca -0.04 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 58.98 3b3o h GLU 656 Cb 1.33 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 3b3o h GLU 656 CO 0.14 0.79 -0.01 0.77 -0.73 0.00 0.00 179.01 179.97 3b3o h SER 657 N 0.99 0.82 -0.95 1.04 0.02 -1.09 -2.91 113.55 111.48 3b3o h SER 657 Ca 0.25 -0.31 0.04 0.00 -0.84 0.00 0.00 61.79 60.93 3b3o h SER 657 Cb 0.09 -0.22 -0.06 0.00 0.14 0.00 0.00 62.40 62.36 3b3o h SER 657 CO -0.03 0.93 0.61 0.15 -1.14 0.00 0.00 176.83 177.35 3b3o h PHE 658 N 0.69 1.14 -0.57 3.45 3.57 -0.79 0.65 116.94 125.08 3b3o h PHE 658 Ca 0.13 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 3b3o h PHE 658 Cb 0.52 -0.38 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3b3o h PHE 658 CO 0.04 0.64 0.35 0.82 -2.23 0.00 0.00 178.31 177.93 3b3o h ILE 659 N 1.17 1.16 -0.58 1.41 1.08 -1.13 0.41 117.51 121.03 3b3o h ILE 659 Ca 0.39 -0.34 -0.09 0.00 -0.39 0.00 0.00 64.86 64.42 3b3o h ILE 659 Cb 0.05 0.37 -0.02 0.00 -3.07 0.00 0.00 36.82 34.15 3b3o h ILE 659 CO -0.14 0.16 0.01 0.11 -0.69 0.00 0.00 178.15 177.60 3b3o h LYS 660 N 0.76 1.02 -0.45 2.37 1.57 -1.22 -0.84 116.57 119.79 3b3o h LYS 660 Ca 0.20 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3b3o h LYS 660 Cb -0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3b3o h LYS 660 CO -0.04 1.01 0.26 1.25 -0.57 0.00 0.00 179.45 181.36 3b3o h HIS 661 N 0.91 0.60 -0.42 -1.35 2.76 -0.37 -1.10 115.15 116.18 3b3o h HIS 661 Ca 0.16 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.34 3b3o h HIS 661 Cb 0.54 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 29.28 3b3o h HIS 661 CO 0.04 0.43 0.25 1.98 -1.30 0.00 0.00 177.93 179.33 3b3o h MET 662 N 0.59 0.49 -0.28 5.26 1.85 0.15 -0.31 114.93 122.68 3b3o h MET 662 Ca 0.16 -0.03 -0.01 0.00 -0.61 0.00 0.00 59.70 59.21 3b3o h MET 662 Cb 0.02 -0.11 -0.01 0.00 0.43 0.00 0.00 31.60 31.92 3b3o h MET 662 CO -0.03 0.33 0.14 0.93 -0.40 0.00 0.00 176.91 177.88 3b3o h GLU 663 N 0.51 0.39 -0.74 0.39 5.08 -0.86 -1.22 114.58 118.12 3b3o h GLU 663 Ca 0.16 -0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.52 3b3o h GLU 663 Cb -0.00 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.12 3b3o h GLU 663 CO -0.07 0.36 0.45 -0.97 -1.00 0.00 0.00 179.01 177.78 3b3o h ASN 664 N 0.32 0.71 -0.70 1.42 -1.24 -0.88 -1.92 115.58 113.29 3b3o h ASN 664 Ca 0.10 0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.10 3b3o h ASN 664 Cb 0.09 -0.13 -0.03 0.00 0.73 0.00 0.00 38.32 38.97 3b3o h ASN 664 CO -0.01 0.47 0.36 -0.33 -1.29 0.00 0.00 177.43 176.62 3b3o h GLU 665 N 0.85 1.00 -0.81 6.67 4.39 -0.67 0.16 114.58 126.17 3b3o h GLU 665 Ca 0.32 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 3b3o h GLU 665 Cb 0.12 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.54 3b3o h GLU 665 CO -0.15 0.78 0.50 1.88 -1.16 0.00 0.00 179.01 180.85 3b3o h TYR 666 N 0.98 1.07 -0.08 4.33 -1.99 -0.72 0.36 116.97 120.92 3b3o h TYR 666 Ca 0.24 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.94 3b3o h TYR 666 Cb 0.09 -0.35 -0.00 0.00 2.00 0.00 0.00 36.73 38.47 3b3o h TYR 666 CO 0.00 0.71 -0.09 0.00 -0.00 0.00 0.00 178.16 178.78 3b3o h ARG 667 N 1.11 0.20 0.00 4.88 3.08 -0.73 -0.58 114.38 122.34 3b3o h ARG 667 Ca 0.29 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3b3o h ARG 667 Cb -0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3b3o h ARG 667 CO -0.06 0.64 -0.91 0.00 -1.07 0.00 0.00 179.97 178.57 3b3o n ARG 669 N -2.21 4.54 -0.63 0.00 0.63 0.12 -5.02 116.66 114.10 3b3o n ARG 669 Ca 0.02 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.95 3b3o n ARG 669 Cb 0.47 -0.51 0.00 0.00 0.45 0.00 0.00 32.46 32.87 3b3o n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3b3o n GLY 670 N 1.07 0.71 0.00 5.14 0.00 -0.23 -4.55 105.19 107.33 3b3o n GLY 670 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3b3o n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b3o n GLY 671 N -2.53 0.16 3.17 -0.02 0.00 -1.16 -0.48 105.19 104.33 3b3o n GLY 671 Ca 0.00 -1.21 0.01 0.00 0.00 0.00 0.00 46.02 44.83 3b3o n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b3o n PRO 673 N 4.48 2.41 -3.72 0.00 -0.04 -1.26 -4.67 135.00 132.19 3b3o n PRO 673 Ca 0.10 0.86 -0.12 0.00 -0.04 0.00 0.00 63.50 64.29 3b3o n PRO 673 Cb 0.57 -2.58 -0.10 0.00 -0.04 0.00 0.00 33.50 31.35 3b3o n PRO 673 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b3o s ALA 674 N -0.04 -1.03 -0.53 0.55 0.00 0.95 -4.23 121.76 117.43 3b3o s ALA 674 Ca 0.66 1.27 -0.17 0.00 0.00 0.00 0.00 51.96 53.72 3b3o s ALA 674 Cb -0.56 -0.75 0.11 0.00 0.00 0.00 0.00 23.12 21.92 3b3o s ALA 674 CO 0.49 -0.21 0.52 0.34 0.00 0.00 0.00 175.76 176.90 3b3o s ASP 675 N 0.55 6.18 0.25 0.00 -1.08 -0.01 -3.58 116.67 118.99 3b3o s ASP 675 Ca -0.03 -1.56 -0.03 0.00 -0.52 0.00 0.00 52.55 50.41 3b3o s ASP 675 Cb -0.04 -2.23 0.47 0.00 -1.46 0.00 0.00 42.92 39.66 3b3o s ASP 675 CO -0.03 -0.86 1.76 -0.25 0.52 0.00 0.00 175.17 176.31 3b3o h TRP 676 N 8.92 0.68 -0.72 -5.34 7.01 -1.92 -0.63 115.95 123.95 3b3o h TRP 676 Ca -0.29 0.03 0.18 0.00 2.11 0.00 0.00 58.89 60.92 3b3o h TRP 676 Cb 1.10 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 27.94 3b3o h TRP 676 CO 0.73 0.17 0.50 0.28 -2.79 0.00 0.00 178.44 177.32 3b3o h VAL 677 N 0.58 0.70 0.00 2.65 2.07 -1.93 -2.06 116.25 118.26 3b3o h VAL 677 Ca 0.43 -0.06 -0.36 0.00 0.82 0.00 0.00 66.70 67.53 3b3o h VAL 677 Cb 0.58 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 3b3o h VAL 677 CO -0.35 0.03 -2.32 0.79 0.02 0.00 0.00 177.57 175.74 3b3o n TRP 678 N -4.40 0.11 -0.10 1.57 7.02 -0.59 -4.52 117.44 116.54 3b3o n TRP 678 Ca 0.14 0.04 -0.12 0.00 -1.02 0.00 0.00 57.50 56.54 3b3o n TRP 678 Cb 0.67 -1.02 -0.04 0.00 -2.42 0.00 0.00 31.31 28.51 3b3o n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3b3o h ILE 679 N 0.00 1.30 -2.80 -0.99 1.08 -0.82 -3.43 117.51 111.85 3b3o h ILE 679 Ca -0.52 -1.31 -0.53 0.00 -0.39 0.00 0.00 64.86 62.10 3b3o h ILE 679 Cb 2.21 1.48 0.02 0.00 -3.07 0.00 0.00 36.82 37.45 3b3o h ILE 679 CO 0.03 0.42 0.90 -0.69 -0.69 0.00 0.00 178.15 178.13 3b3o s VAL 680 N -4.54 3.20 0.61 1.67 1.01 -0.81 -4.93 120.40 116.61 3b3o s VAL 680 Ca -0.13 0.70 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 3b3o s VAL 680 Cb 0.09 -3.45 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 3b3o s VAL 680 CO 0.81 0.01 1.12 -2.65 0.00 0.00 0.00 175.10 174.39 3b3o n PRO 681 N 5.12 1.07 0.00 2.72 -0.02 -1.26 -4.89 135.00 137.73 3b3o n PRO 681 Ca 0.14 0.41 0.04 0.00 -2.02 0.00 0.00 63.50 62.07 3b3o n PRO 681 Cb 0.41 -2.33 0.23 0.00 -0.02 0.00 0.00 33.50 31.79 3b3o n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3b3o n PRO 682 N -1.29 0.64 -3.85 0.52 -0.04 -1.26 -4.27 135.00 125.45 3b3o n PRO 682 Ca 0.14 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.50 3b3o n PRO 682 Cb 0.47 -1.19 -0.08 0.00 -0.04 0.00 0.00 33.50 32.66 3b3o n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b3o s MET 683 N -2.00 0.77 -0.94 0.54 0.23 -1.26 -4.91 119.30 111.72 3b3o s MET 683 Ca 0.12 -0.77 -0.06 0.00 -1.03 0.00 0.00 55.69 53.94 3b3o s MET 683 Cb 0.05 0.32 0.05 0.00 -1.53 0.00 0.00 34.83 33.72 3b3o s MET 683 CO 0.09 -0.23 0.25 0.43 -2.03 0.00 0.00 175.02 173.53 3b3o n SER 684 N 0.34 -2.81 -0.22 -1.18 7.64 -1.26 -4.86 113.62 111.27 3b3o n SER 684 Ca -0.17 -0.10 -0.06 0.00 1.01 0.00 0.00 58.87 59.55 3b3o n SER 684 Cb 0.60 -2.40 -0.05 0.00 -1.01 0.00 0.00 64.21 61.35 3b3o n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3b3o n GLY 685 N -0.89 -2.27 0.00 0.23 0.00 -1.26 -1.69 105.19 99.31 3b3o n GLY 685 Ca -0.03 0.79 0.07 0.00 0.00 0.00 0.00 46.02 46.86 3b3o n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3b3o n SER 686 N -4.23 0.00 -1.15 1.61 3.41 -1.26 -2.19 113.62 109.80 3b3o n SER 686 Ca 0.01 0.34 0.08 0.00 -0.26 0.00 0.00 58.87 59.03 3b3o n SER 686 Cb 0.14 -0.42 0.26 0.00 -0.26 0.00 0.00 64.21 63.92 3b3o n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3b3o n ILE 687 N -1.42 1.12 -4.41 -1.33 -5.35 -0.68 -4.82 119.36 102.47 3b3o n ILE 687 Ca 0.05 -0.81 -0.31 0.00 -0.27 0.00 0.00 62.75 61.41 3b3o n ILE 687 Cb 0.15 0.14 -0.10 0.00 -1.74 0.00 0.00 39.64 38.09 3b3o n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3b3o s THR 688 N -1.59 3.46 0.48 7.28 -4.23 -0.93 -5.03 115.64 115.08 3b3o s THR 688 Ca 0.37 -0.98 0.20 0.00 -1.18 0.00 0.00 61.69 60.11 3b3o s THR 688 Cb 0.22 -2.54 0.25 0.00 1.34 0.00 0.00 72.50 71.78 3b3o s THR 688 CO 0.20 0.30 2.08 1.55 -0.54 0.00 0.00 174.62 178.21 3b3o h PRO 689 N 4.23 0.00 -0.22 3.99 0.13 -1.87 -3.01 132.00 135.24 3b3o h PRO 689 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 3b3o h PRO 689 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3b3o h PRO 689 CO 0.53 0.11 0.12 -0.39 -0.23 0.00 0.00 178.00 178.13 3b3o h VAL 690 N 0.00 1.07 -1.00 1.56 -1.51 -1.89 -2.55 116.25 111.93 3b3o h VAL 690 Ca -0.00 -0.19 0.12 0.00 -1.23 0.00 0.00 66.70 65.40 3b3o h VAL 690 Cb 0.22 0.78 -0.09 0.00 -2.13 0.00 0.00 31.29 30.07 3b3o h VAL 690 CO 0.01 0.08 0.63 0.15 -1.23 0.00 0.00 177.57 177.22 3b3o h PHE 691 N 0.31 1.14 -0.24 5.19 3.57 -1.72 -0.93 116.94 124.26 3b3o h PHE 691 Ca 0.08 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.61 3b3o h PHE 691 Cb 0.01 -0.36 0.00 0.00 2.79 0.00 0.00 35.95 38.39 3b3o h PHE 691 CO 0.00 0.44 0.00 0.72 -2.23 0.00 0.00 178.31 177.24 3b3o n HIS 692 N -4.62 0.31 -3.63 0.41 8.25 -0.97 -4.85 115.22 110.12 3b3o n HIS 692 Ca 0.19 -0.15 -0.38 0.00 -0.26 0.00 0.00 57.72 57.12 3b3o n HIS 692 Cb 0.37 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.36 3b3o n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3b3o s GLN 693 N -1.69 3.79 0.42 -0.41 2.00 -0.36 -1.49 119.66 121.92 3b3o s GLN 693 Ca 0.29 -0.42 -0.24 0.00 -2.00 0.00 0.00 55.36 53.00 3b3o s GLN 693 Cb 0.16 -3.58 -0.08 0.00 0.80 0.00 0.00 33.01 30.30 3b3o s GLN 693 CO 0.23 -0.22 1.12 -1.21 -0.50 0.00 0.00 175.29 174.71 3b3o s GLU 694 N 1.71 4.00 0.06 1.67 2.02 -0.89 -5.00 118.70 122.27 3b3o s GLU 694 Ca 0.07 1.69 0.01 0.00 0.02 0.00 0.00 54.97 56.75 3b3o s GLU 694 Cb -0.16 -2.54 -0.03 0.00 0.10 0.00 0.00 34.13 31.49 3b3o s GLU 694 CO 0.09 -0.32 -0.05 -1.64 0.02 0.00 0.00 175.26 173.36 3b3o s MET 695 N -2.49 0.61 -0.09 1.61 -1.94 -1.26 -4.63 119.30 111.10 3b3o s MET 695 Ca 0.59 -1.07 0.03 0.00 -1.71 0.00 0.00 55.69 53.53 3b3o s MET 695 Cb -0.27 -0.03 -0.01 0.00 2.01 0.00 0.00 34.83 36.54 3b3o s MET 695 CO 0.33 -0.04 -0.19 -0.51 -0.01 0.00 0.00 175.02 174.60 3b3o s LEU 696 N -2.47 2.40 -0.16 -0.03 1.43 -1.26 -4.94 118.68 113.66 3b3o s LEU 696 Ca 0.02 -0.41 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 3b3o s LEU 696 Cb 0.01 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.73 3b3o s LEU 696 CO -0.05 0.21 -0.14 0.21 0.23 0.00 0.00 176.35 176.81 3b3o s ASN 697 N 0.08 3.78 0.23 2.29 3.04 -1.23 -0.03 114.94 123.09 3b3o s ASN 697 Ca -0.08 -0.44 -0.18 0.00 0.04 0.00 0.00 52.86 52.20 3b3o s ASN 697 Cb -0.15 -1.59 0.02 0.00 -1.54 0.00 0.00 41.25 37.99 3b3o s ASN 697 CO 0.05 0.08 0.57 -0.72 -3.04 0.00 0.00 177.10 174.05 3b3o s TYR 698 N 0.83 -0.04 -0.20 0.43 -0.85 -1.26 -4.95 117.35 111.29 3b3o s TYR 698 Ca -0.05 -0.33 -0.04 0.00 -0.52 0.00 0.00 57.07 56.14 3b3o s TYR 698 Cb -0.15 0.45 -0.01 0.00 0.38 0.00 0.00 41.96 42.62 3b3o s TYR 698 CO 0.00 -1.03 -0.04 1.03 -1.52 0.00 0.00 175.55 173.99 3b3o s ARG 699 N -3.92 3.45 0.16 -3.49 0.52 -1.26 -4.82 118.95 109.59 3b3o s ARG 699 Ca 0.12 -0.60 0.08 0.00 -0.52 0.00 0.00 55.73 54.81 3b3o s ARG 699 Cb -0.02 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 3b3o s ARG 699 CO 0.02 -0.08 -0.08 -0.51 0.02 0.00 0.00 175.30 174.67 3b3o s LEU 700 N 1.20 3.04 0.19 2.53 1.43 -1.26 -2.88 118.68 122.92 3b3o s LEU 700 Ca 0.02 -0.51 0.10 0.00 -1.03 0.00 0.00 54.13 52.72 3b3o s LEU 700 Cb -0.14 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.29 3b3o s LEU 700 CO -0.01 0.12 -0.16 0.42 0.23 0.00 0.00 176.35 176.95 3b3o s THR 701 N -1.60 2.80 0.92 5.49 -4.23 -1.26 -4.29 115.64 113.46 3b3o s THR 701 Ca 0.24 -1.85 -0.11 0.00 -1.18 0.00 0.00 61.69 58.79 3b3o s THR 701 Cb -0.09 -2.38 0.11 0.00 1.34 0.00 0.00 72.50 71.48 3b3o s THR 701 CO 0.15 -0.13 0.92 -2.65 -0.54 0.00 0.00 174.62 172.37 3b3o n PRO 702 N 0.10 -0.36 -3.54 3.99 -0.02 -1.26 -5.01 135.00 128.90 3b3o n PRO 702 Ca -0.11 -0.05 -0.11 0.00 -2.02 0.00 0.00 63.50 61.21 3b3o n PRO 702 Cb 0.56 -2.21 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 3b3o n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3b3o s SER 703 N -2.40 -0.38 -0.23 2.55 1.04 -0.62 -3.93 113.70 109.73 3b3o s SER 703 Ca 0.64 -0.17 -0.10 0.00 0.48 0.00 0.00 55.95 56.80 3b3o s SER 703 Cb -0.23 0.53 -0.05 0.00 0.10 0.00 0.00 66.02 66.37 3b3o s SER 703 CO 0.60 -0.90 0.16 -0.36 0.98 0.00 0.00 173.24 173.72 3b3o s PHE 704 N -3.76 3.34 0.23 5.02 0.40 -1.26 -0.09 117.98 121.85 3b3o s PHE 704 Ca 0.02 0.26 0.09 0.00 -0.60 0.00 0.00 56.93 56.70 3b3o s PHE 704 Cb 0.01 -2.25 -0.05 0.00 0.51 0.00 0.00 43.02 41.24 3b3o s PHE 704 CO -0.12 0.11 -0.16 -1.21 0.70 0.00 0.00 175.22 174.54 3b3o s GLU 705 N 0.91 1.43 0.50 0.44 0.41 0.10 -4.94 118.70 117.57 3b3o s GLU 705 Ca 0.08 -1.64 -0.15 0.00 -0.41 0.00 0.00 54.97 52.85 3b3o s GLU 705 Cb -0.13 -1.32 -0.07 0.00 -1.78 0.00 0.00 34.13 30.82 3b3o s GLU 705 CO 0.03 0.23 0.95 0.71 -0.49 0.00 0.00 175.26 176.69 3b3o s TYR 706 N -2.81 3.47 0.05 1.61 1.51 -1.26 -0.18 117.35 119.74 3b3o s TYR 706 Ca 0.25 1.37 -0.03 0.00 -1.01 0.00 0.00 57.07 57.65 3b3o s TYR 706 Cb -0.02 -2.72 -0.03 0.00 -0.11 0.00 0.00 41.96 39.08 3b3o s TYR 706 CO 0.09 -0.35 0.03 1.14 -1.11 0.00 0.00 175.55 175.35 3b3o s GLN 707 N -4.13 0.63 0.52 -0.62 -2.07 -1.26 -4.75 119.66 107.98 3b3o s GLN 707 Ca 0.57 -1.07 -0.21 0.00 -1.82 0.00 0.00 55.36 52.83 3b3o s GLN 707 Cb -0.10 0.23 -0.06 0.00 -1.09 0.00 0.00 33.01 31.99 3b3o s GLN 707 CO 0.33 -0.14 1.22 -1.25 -1.32 0.00 0.00 175.29 174.13 3b3o s PRO 708 N -3.58 3.40 0.28 9.60 0.04 -1.26 -4.92 135.00 138.56 3b3o s PRO 708 Ca 0.04 1.88 -0.30 0.00 0.04 0.00 0.00 61.00 62.66 3b3o s PRO 708 Cb 0.05 -2.23 -0.12 0.00 0.04 0.00 0.00 34.50 32.24 3b3o s PRO 708 CO -0.09 -0.87 1.54 -0.25 0.04 0.00 0.00 177.00 177.37 3b3o n ASP 709 N -0.93 3.57 -0.12 6.66 8.00 -1.26 -4.88 116.55 127.59 3b3o n ASP 709 Ca 0.10 1.15 0.03 0.00 0.71 0.00 0.00 54.79 56.77 3b3o n ASP 709 Cb 0.48 -1.55 0.33 0.00 -0.02 0.00 0.00 41.12 40.36 3b3o n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3b3o h PRO 710 N 4.60 0.77 0.00 -0.24 0.13 -1.92 -2.31 132.00 133.03 3b3o h PRO 710 Ca -0.46 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3b3o h PRO 710 Cb 1.24 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3b3o h PRO 710 CO 0.78 0.51 0.00 -2.67 -0.23 0.00 0.00 178.00 176.39 3b3o n TRP 711 N -4.45 0.51 0.75 1.56 2.14 -1.26 -0.51 117.44 116.17 3b3o n TRP 711 Ca 0.06 0.23 0.11 0.00 2.07 0.00 0.00 57.50 59.98 3b3o n TRP 711 Cb 0.07 -0.87 0.04 0.00 -0.81 0.00 0.00 31.31 29.74 3b3o n TRP 711 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 3b3o n ASN 712 N -1.99 0.66 0.00 -0.67 3.02 -0.87 -4.51 115.26 110.89 3b3o n ASN 712 Ca 0.01 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 3b3o n ASN 712 Cb 0.11 0.74 0.00 0.00 -0.61 0.00 0.00 39.78 40.01 3b3o n ASN 712 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3b3o n THR 713 N -1.76 0.00 -1.88 3.41 -2.24 -0.58 -5.07 114.28 106.16 3b3o n THR 713 Ca 0.03 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.34 3b3o n THR 713 Cb 0.39 0.48 -0.02 0.00 -2.10 0.00 0.00 70.33 69.08 3b3o n THR 713 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3b3o s HIS 714 N -1.50 2.94 -0.57 4.78 5.04 0.33 -4.97 115.29 121.34 3b3o s HIS 714 Ca 0.00 0.72 -0.22 0.00 -1.54 0.00 0.00 55.06 54.02 3b3o s HIS 714 Cb 0.00 -3.97 0.06 0.00 0.04 0.00 0.00 32.58 28.70 3b3o s HIS 714 CO 0.00 -3.43 0.86 0.08 -2.34 0.00 0.00 174.74 169.91 3b3o s VAL 715 N 0.55 4.52 0.40 0.89 1.01 -1.26 -5.02 120.40 121.49 3b3o s VAL 715 Ca 0.66 -0.16 -0.26 0.00 0.00 0.00 0.00 61.98 62.23 3b3o s VAL 715 Cb -0.45 -4.52 -0.09 0.00 0.00 0.00 0.00 36.38 31.32 3b3o s VAL 715 CO 0.39 -1.13 1.25 0.26 0.00 0.00 0.00 175.10 175.87 3b3o s TRP 716 N 3.58 2.93 -0.12 5.22 0.52 -1.26 -4.87 118.94 124.94 3b3o s TRP 716 Ca 0.23 1.47 0.09 0.00 0.02 0.00 0.00 56.10 57.91 3b3o s TRP 716 Cb -0.16 -3.56 -0.14 0.00 -1.15 0.00 0.00 33.47 28.46 3b3o s TRP 716 CO 0.14 -1.78 0.02 1.63 0.02 0.00 0.00 176.95 176.98 3b3o n LYS 717 N 0.14 1.91 0.00 4.98 5.02 -1.26 -5.10 118.16 123.86 3b3o n LYS 717 Ca 0.04 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3b3o n LYS 717 Cb 0.45 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 3b3o n LYS 717 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29