#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b3m s PHE 300 N 0.00 2.99 0.33 -0.14 0.40 -1.26 -4.85 117.98 115.44 3b3m s PHE 300 Ca 0.00 -0.88 -0.10 0.00 -0.60 0.00 0.00 56.93 55.35 3b3m s PHE 300 Cb 0.00 -3.96 -0.07 0.00 0.51 0.00 0.00 43.02 39.51 3b3m s PHE 300 CO 0.00 -1.27 0.67 -0.51 0.70 0.00 0.00 175.22 174.81 3b3m s LEU 301 N 2.73 3.99 -0.01 -0.37 1.43 -1.11 -4.89 118.68 120.46 3b3m s LEU 301 Ca 0.12 1.01 0.06 0.00 -1.03 0.00 0.00 54.13 54.29 3b3m s LEU 301 Cb -0.23 -3.84 -0.02 0.00 0.03 0.00 0.00 46.19 42.13 3b3m s LEU 301 CO 0.07 -0.26 -0.19 -0.54 0.23 0.00 0.00 176.35 175.67 3b3m s LYS 302 N -3.44 1.52 -0.05 1.70 1.02 -1.26 0.83 119.74 120.06 3b3m s LYS 302 Ca 0.49 -0.70 0.06 0.00 0.02 0.00 0.00 55.97 55.85 3b3m s LYS 302 Cb -0.11 -1.48 -0.01 0.00 -0.52 0.00 0.00 37.83 35.71 3b3m s LYS 302 CO 0.27 0.40 -0.24 0.14 -0.92 0.00 0.00 175.35 175.00 3b3m s VAL 303 N -0.48 2.14 0.05 3.17 -7.23 0.15 -4.96 120.40 113.25 3b3m s VAL 303 Ca 0.07 -1.05 0.08 0.00 -1.81 0.00 0.00 61.98 59.27 3b3m s VAL 303 Cb -0.07 -1.77 -0.03 0.00 0.56 0.00 0.00 36.38 35.07 3b3m s VAL 303 CO -0.00 0.57 -0.19 -0.75 -0.31 0.00 0.00 175.10 174.42 3b3m s LYS 304 N -0.34 1.98 -0.35 4.82 2.20 -1.26 -0.62 119.74 126.17 3b3m s LYS 304 Ca 0.02 -1.03 -0.13 0.00 -0.36 0.00 0.00 55.97 54.47 3b3m s LYS 304 Cb -0.12 -2.15 -0.01 0.00 -1.51 0.00 0.00 37.83 34.04 3b3m s LYS 304 CO 0.02 0.53 0.24 1.21 -0.36 0.00 0.00 175.35 176.98 3b3m s ASN 305 N -1.54 5.98 0.00 1.43 3.84 -0.15 -1.47 114.94 123.03 3b3m s ASN 305 Ca 0.15 -0.54 0.21 0.00 0.21 0.00 0.00 52.86 52.89 3b3m s ASN 305 Cb -0.10 -2.12 1.09 0.00 -0.55 0.00 0.00 41.25 39.57 3b3m s ASN 305 CO 0.06 -0.27 1.67 0.79 -2.79 0.00 0.00 177.10 176.56 3b3m n TRP 306 N 5.09 0.00 -0.04 0.43 7.02 0.01 0.75 117.44 130.70 3b3m n TRP 306 Ca -0.12 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.15 3b3m n TRP 306 Cb 0.49 -0.26 -0.13 0.00 -2.42 0.00 0.00 31.31 28.99 3b3m n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 3b3m n GLU 307 N -1.26 0.72 0.00 -0.99 2.13 -1.26 -4.52 120.64 115.47 3b3m n GLU 307 Ca 0.11 0.23 0.07 0.00 0.66 0.00 0.00 57.16 58.22 3b3m n GLU 307 Cb 0.16 -1.65 -0.04 0.00 0.27 0.00 0.00 31.44 30.18 3b3m n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 3b3m n THR 308 N -3.42 0.00 -0.02 6.31 -2.24 -1.15 -4.99 114.28 108.77 3b3m n THR 308 Ca -0.37 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 3b3m n THR 308 Cb 1.03 1.09 0.00 0.00 -2.10 0.00 0.00 70.33 70.34 3b3m n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3b3m n ASP 309 N -0.75 0.00 -4.69 3.42 8.00 0.23 -4.95 116.55 117.80 3b3m n ASP 309 Ca 0.04 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.10 3b3m n ASP 309 Cb 0.27 -0.76 -0.04 0.00 -0.02 0.00 0.00 41.12 40.57 3b3m n ASP 309 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3b3m n VAL 310 N -2.00 0.06 -4.93 2.53 0.31 -1.24 -4.64 118.33 108.42 3b3m n VAL 310 Ca 0.00 -0.01 -0.33 0.00 -0.01 0.00 0.00 64.34 63.99 3b3m n VAL 310 Cb 0.00 -1.81 -0.15 0.00 -0.91 0.00 0.00 33.84 30.97 3b3m n VAL 310 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3b3m s VAL 311 N 1.34 2.78 0.07 2.52 1.01 -1.26 -0.98 120.40 125.89 3b3m s VAL 311 Ca 0.78 -0.78 0.09 0.00 0.00 0.00 0.00 61.98 62.08 3b3m s VAL 311 Cb -0.58 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3b3m s VAL 311 CO 0.36 0.55 -0.25 -0.76 0.00 0.00 0.00 175.10 174.99 3b3m s LEU 312 N 0.06 2.28 -0.17 3.92 1.43 0.21 -4.96 118.68 121.46 3b3m s LEU 312 Ca -0.07 -0.61 -0.07 0.00 -1.03 0.00 0.00 54.13 52.35 3b3m s LEU 312 Cb -0.15 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.73 3b3m s LEU 312 CO 0.05 0.23 0.06 -0.89 0.23 0.00 0.00 176.35 176.03 3b3m s THR 313 N -0.90 4.79 -0.22 5.49 2.01 -1.26 -0.67 115.64 124.87 3b3m s THR 313 Ca 0.13 -0.04 -0.06 0.00 0.31 0.00 0.00 61.69 62.03 3b3m s THR 313 Cb -0.10 -3.14 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 3b3m s THR 313 CO 0.04 0.49 0.04 -0.62 -0.69 0.00 0.00 174.62 173.88 3b3m s ASP 314 N 0.11 5.08 -0.01 3.53 -1.08 0.24 -4.64 116.67 119.91 3b3m s ASP 314 Ca 0.05 -0.17 0.02 0.00 -0.52 0.00 0.00 52.55 51.93 3b3m s ASP 314 Cb -0.12 -1.89 -0.03 0.00 -1.46 0.00 0.00 42.92 39.42 3b3m s ASP 314 CO 0.01 0.03 0.03 0.35 0.52 0.00 0.00 175.17 176.11 3b3m n THR 315 N 4.50 0.03 0.00 1.71 -2.24 0.23 -2.75 114.28 115.75 3b3m n THR 315 Ca -0.17 -0.05 0.10 0.00 -2.27 0.00 0.00 64.05 61.67 3b3m n THR 315 Cb 0.52 0.15 0.52 0.00 -2.10 0.00 0.00 70.33 69.41 3b3m n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3b3m h LEU 316 N 0.00 0.31 -2.58 3.22 5.85 -1.69 -1.17 115.31 119.25 3b3m h LEU 316 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 3b3m h LEU 316 Cb 0.31 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.27 3b3m h LEU 316 CO 0.00 0.20 0.01 1.12 -0.34 0.00 0.00 178.44 179.43 3b3m h HIS 317 N 0.35 0.00 0.00 1.25 2.07 -1.84 0.01 115.15 116.99 3b3m h HIS 317 Ca 0.20 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.72 3b3m h HIS 317 Cb 0.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.31 3b3m h HIS 317 CO -0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 3b3m n LEU 318 N -3.67 0.62 -0.83 6.12 4.77 -0.44 -0.84 117.00 122.73 3b3m n LEU 318 Ca -0.03 0.69 0.12 0.00 -0.03 0.00 0.00 56.01 56.76 3b3m n LEU 318 Cb 0.09 -0.66 0.28 0.00 -2.33 0.00 0.00 43.42 40.80 3b3m n LEU 318 CO 0.26 -0.68 0.73 0.29 -1.33 0.00 0.00 177.39 176.65 3b3m n LYS 319 N -2.23 2.12 -1.77 3.23 5.02 -0.01 -4.95 118.16 119.56 3b3m n LYS 319 Ca 0.01 -1.66 -0.40 0.00 -2.02 0.00 0.00 58.31 54.24 3b3m n LYS 319 Cb 0.16 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 33.73 3b3m n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3b3m s SER 320 N -1.72 5.81 0.02 4.39 0.15 -0.02 -4.94 113.70 117.39 3b3m s SER 320 Ca 0.34 2.95 -0.04 0.00 0.70 0.00 0.00 55.95 59.90 3b3m s SER 320 Cb 0.20 -2.66 -0.02 0.00 -1.71 0.00 0.00 66.02 61.84 3b3m s SER 320 CO 0.30 -1.22 -0.08 0.41 1.20 0.00 0.00 173.24 173.84 3b3m n THR 321 N -0.25 1.17 -1.33 6.45 -1.04 -1.12 -5.05 114.28 113.12 3b3m n THR 321 Ca 0.05 0.29 -0.30 0.00 -2.04 0.00 0.00 64.05 62.04 3b3m n THR 321 Cb 0.42 -1.75 0.10 0.00 -1.82 0.00 0.00 70.33 67.28 3b3m n THR 321 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3b3m s LEU 322 N -7.10 2.76 0.66 -4.42 1.43 -1.25 -5.05 118.68 105.71 3b3m s LEU 322 Ca -0.07 1.62 -0.09 0.00 -1.03 0.00 0.00 54.13 54.56 3b3m s LEU 322 Cb 0.01 -4.26 0.02 0.00 0.03 0.00 0.00 46.19 41.99 3b3m s LEU 322 CO 0.11 -2.11 1.01 -1.61 0.23 0.00 0.00 176.35 173.98 3b3m s GLU 323 N -4.97 2.80 -0.08 1.70 2.02 -1.26 -4.51 118.70 114.40 3b3m s GLU 323 Ca 0.61 0.20 0.13 0.00 0.02 0.00 0.00 54.97 55.93 3b3m s GLU 323 Cb -0.16 -2.13 -0.20 0.00 0.10 0.00 0.00 34.13 31.73 3b3m s GLU 323 CO 0.56 -0.93 0.18 0.25 0.02 0.00 0.00 175.26 175.33 3b3m n THR 324 N -2.84 0.49 0.00 3.63 -2.24 -1.26 -4.82 114.28 107.25 3b3m n THR 324 Ca 0.06 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3b3m n THR 324 Cb 0.58 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.55 3b3m n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3b3m n GLY 325 N 1.93 0.24 3.97 3.38 0.00 -1.26 -4.89 105.19 108.56 3b3m n GLY 325 Ca -0.13 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 3b3m n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b3m n THR 327 N -1.80 0.00 0.52 0.00 -2.24 -0.07 -4.98 114.28 105.70 3b3m n THR 327 Ca -0.01 -2.06 0.12 0.00 -2.27 0.00 0.00 64.05 59.84 3b3m n THR 327 Cb 0.58 0.99 0.45 0.00 -2.10 0.00 0.00 70.33 70.25 3b3m n THR 327 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3b3m n GLU 328 N -0.57 0.21 -0.03 -0.78 4.71 -1.26 -3.20 120.64 119.71 3b3m n GLU 328 Ca 0.05 0.31 0.05 0.00 -0.01 0.00 0.00 57.16 57.56 3b3m n GLU 328 Cb 0.51 -1.82 -0.17 0.00 -1.01 0.00 0.00 31.44 28.96 3b3m n GLU 328 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 3b3m n HIS 329 N -2.20 0.01 -3.74 -0.32 8.25 -1.26 -4.97 115.22 110.99 3b3m n HIS 329 Ca 0.04 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.38 3b3m n HIS 329 Cb 0.32 -0.65 -0.13 0.00 1.12 0.00 0.00 29.99 30.65 3b3m n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 3b3m s ILE 330 N -3.22 -0.03 -0.22 1.59 2.07 -1.20 -5.13 121.20 115.06 3b3m s ILE 330 Ca -0.08 0.11 -0.12 0.00 -1.41 0.00 0.00 60.65 59.15 3b3m s ILE 330 Cb 0.12 -0.38 -0.05 0.00 0.13 0.00 0.00 42.46 42.28 3b3m s ILE 330 CO 0.89 0.04 0.22 0.00 -1.91 0.00 0.00 174.94 174.18 3b3m n MET 332 N 4.20 2.07 0.18 0.00 0.00 -1.26 -4.76 117.12 117.55 3b3m n MET 332 Ca -0.13 -3.08 0.18 0.00 0.00 0.00 0.00 57.70 54.67 3b3m n MET 332 Cb 0.52 -1.81 0.76 0.00 0.00 0.00 0.00 33.22 32.68 3b3m n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 3b3m h GLY 333 N 1.15 0.00 -2.24 3.03 0.00 -1.93 -1.38 103.07 101.70 3b3m h GLY 333 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.50 3b3m h GLY 333 CO 0.34 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.74 3b3m n SER 334 N -3.39 3.41 -4.69 0.19 3.41 -1.26 -4.86 113.62 106.42 3b3m n SER 334 Ca 0.04 -1.98 -0.42 0.00 -0.26 0.00 0.00 58.87 56.25 3b3m n SER 334 Cb 0.54 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.23 3b3m n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3b3m s ILE 335 N -1.46 4.82 0.17 -1.33 -1.09 -0.52 -4.95 121.20 116.83 3b3m s ILE 335 Ca 0.37 2.03 -0.11 0.00 -2.23 0.00 0.00 60.65 60.71 3b3m s ILE 335 Cb 0.22 -4.31 0.08 0.00 -1.58 0.00 0.00 42.46 36.87 3b3m s ILE 335 CO 0.31 0.06 1.72 0.24 -1.23 0.00 0.00 174.94 176.03 3b3m h MET 336 N 7.00 0.92 -2.79 2.79 2.86 -1.91 -3.36 114.93 120.44 3b3m h MET 336 Ca -0.34 -0.18 -0.61 0.00 -2.06 0.00 0.00 59.70 56.50 3b3m h MET 336 Cb 1.17 -0.14 -0.40 0.00 0.06 0.00 0.00 31.60 32.29 3b3m h MET 336 CO 0.82 0.81 -0.74 -0.51 1.06 0.00 0.00 176.91 178.34 3b3m s LEU 337 N -9.70 3.37 0.02 1.22 1.43 -1.26 -5.16 118.68 108.60 3b3m s LEU 337 Ca -0.13 -3.50 -0.16 0.00 -1.03 0.00 0.00 54.13 49.32 3b3m s LEU 337 Cb 0.13 -1.13 -0.09 0.00 0.03 0.00 0.00 46.19 45.13 3b3m s LEU 337 CO 0.80 -0.13 1.18 -0.65 0.23 0.00 0.00 176.35 177.78 3b3m h PRO 338 N 5.54 -0.56 0.00 1.29 0.11 -1.91 -3.54 132.00 132.93 3b3m h PRO 338 Ca 0.19 0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.34 3b3m h PRO 338 Cb 0.82 0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3b3m h PRO 338 CO 0.57 -0.38 0.00 2.41 -0.21 0.00 0.00 178.00 180.39 3b3m n THR 350 N -3.66 0.00 0.08 -1.15 -1.04 -1.26 -5.04 114.28 102.22 3b3m n THR 350 Ca -0.07 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.04 3b3m n THR 350 Cb 0.23 0.00 0.58 0.00 -1.82 0.00 0.00 70.33 69.32 3b3m n THR 350 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 3b3m h LYS 351 N 0.00 0.19 -0.33 -2.82 1.57 -1.92 0.98 116.57 114.23 3b3m h LYS 351 Ca 0.00 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.60 3b3m h LYS 351 Cb 0.00 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3b3m h LYS 351 CO 0.00 0.12 -0.45 -0.44 -0.57 0.00 0.00 179.45 178.11 3b3m h ASP 352 N 0.19 0.96 0.15 0.86 3.45 -1.99 -2.97 116.42 117.07 3b3m h ASP 352 Ca 0.14 -0.47 -0.22 0.00 0.43 0.00 0.00 57.03 56.91 3b3m h ASP 352 Cb 0.33 -0.27 0.01 0.00 -0.56 0.00 0.00 39.33 38.83 3b3m h ASP 352 CO -0.02 1.26 -0.87 1.56 -1.57 0.00 0.00 179.24 179.59 3b3m h GLN 353 N 0.70 0.55 0.12 3.56 4.20 -1.70 -3.38 115.11 119.17 3b3m h GLN 353 Ca 0.04 -0.52 -0.01 0.00 0.06 0.00 0.00 58.65 58.22 3b3m h GLN 353 Cb 1.05 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.96 3b3m h GLN 353 CO 0.10 1.15 -0.06 1.25 -0.67 0.00 0.00 178.83 180.60 3b3m h LEU 354 N 0.34 -0.14 -1.17 1.46 5.85 -0.87 -3.28 115.31 117.50 3b3m h LEU 354 Ca -0.07 -0.32 0.16 0.00 0.84 0.00 0.00 57.88 58.49 3b3m h LEU 354 Cb 1.49 0.04 -0.08 0.00 0.37 0.00 0.00 40.66 42.47 3b3m h LEU 354 CO 0.16 0.26 0.61 0.15 -0.34 0.00 0.00 178.44 179.28 3b3m h PHE 355 N -0.57 0.94 -0.44 1.25 3.57 -1.69 0.64 116.94 120.63 3b3m h PHE 355 Ca -0.02 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 3b3m h PHE 355 Cb 0.45 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3b3m h PHE 355 CO 0.05 0.30 0.27 -1.35 -2.23 0.00 0.00 178.31 175.35 3b3m h PRO 356 N 0.75 0.59 -0.60 6.41 0.11 -1.74 0.22 132.00 137.74 3b3m h PRO 356 Ca 0.50 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.54 3b3m h PRO 356 Cb 0.79 -0.13 -0.03 0.00 0.11 0.00 0.00 31.00 31.75 3b3m h PRO 356 CO -0.27 0.43 0.26 -0.07 -0.21 0.00 0.00 178.00 178.13 3b3m h LEU 357 N 0.58 0.81 -0.55 2.35 3.38 -1.21 -1.18 115.31 119.51 3b3m h LEU 357 Ca 0.16 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3b3m h LEU 357 Cb -0.02 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3b3m h LEU 357 CO -0.03 0.74 0.26 0.00 0.09 0.00 0.00 178.44 179.50 3b3m h ALA 358 N 1.10 0.70 -0.16 1.53 0.00 -0.62 -1.96 119.26 119.85 3b3m h ALA 358 Ca 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3b3m h ALA 358 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3b3m h ALA 358 CO -0.02 0.27 0.08 -0.22 0.00 0.00 0.00 179.25 179.36 3b3m h LYS 359 N 0.73 0.22 -0.66 0.00 3.64 -0.65 0.19 116.57 120.05 3b3m h LYS 359 Ca 0.19 -0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.62 3b3m h LYS 359 Cb 0.13 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 31.84 3b3m h LYS 359 CO -0.02 0.25 0.32 1.49 -2.27 0.00 0.00 179.45 179.21 3b3m h GLU 360 N 0.14 0.54 0.21 1.90 4.81 -1.11 0.14 114.58 121.22 3b3m h GLU 360 Ca 0.06 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3b3m h GLU 360 Cb 0.09 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3b3m h GLU 360 CO -0.01 0.36 -0.10 0.35 -0.73 0.00 0.00 179.01 178.88 3b3m h PHE 361 N 0.56 -0.26 -0.86 0.92 3.57 -0.95 -2.16 116.94 117.76 3b3m h PHE 361 Ca 0.32 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.89 3b3m h PHE 361 Cb 0.31 0.09 -0.06 0.00 2.79 0.00 0.00 35.95 39.08 3b3m h PHE 361 CO -0.11 0.08 0.56 -0.07 -2.23 0.00 0.00 178.31 176.53 3b3m h LEU 362 N -0.63 0.79 -0.13 0.59 3.38 -0.41 0.13 115.31 119.04 3b3m h LEU 362 Ca -0.03 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3b3m h LEU 362 Cb 0.45 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3b3m h LEU 362 CO 0.05 0.49 0.07 0.44 0.09 0.00 0.00 178.44 179.58 3b3m h ASP 363 N 0.89 0.16 -0.16 -0.43 3.32 -0.65 0.13 116.42 119.69 3b3m h ASP 363 Ca 0.38 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 57.28 3b3m h ASP 363 Cb 0.33 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 3b3m h ASP 363 CO -0.15 0.20 -0.13 0.06 -1.72 0.00 0.00 179.24 177.50 3b3m h GLN 364 N 0.11 0.53 -0.06 3.56 3.07 -0.63 -0.53 115.11 121.16 3b3m h GLN 364 Ca 0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 58.65 58.62 3b3m h GLN 364 Cb 0.07 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 27.58 3b3m h GLN 364 CO -0.01 0.65 0.00 -0.92 0.09 0.00 0.00 178.83 178.65 3b3m h TYR 365 N 0.49 0.12 -0.02 0.06 3.20 -0.28 -0.44 116.97 120.10 3b3m h TYR 365 Ca 0.09 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.86 3b3m h TYR 365 Cb 0.52 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 3b3m h TYR 365 CO 0.02 0.37 -0.36 1.88 -1.64 0.00 0.00 178.16 178.43 3b3m h TYR 366 N -0.17 0.04 -0.46 -3.82 -1.99 -0.61 -1.82 116.97 108.14 3b3m h TYR 366 Ca 0.02 -0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.65 3b3m h TYR 366 Cb 0.32 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 39.02 3b3m h TYR 366 CO 0.03 0.39 -0.09 1.03 -0.00 0.00 0.00 178.16 179.52 3b3m h SER 367 N 0.03 0.81 0.01 3.88 0.87 -0.88 0.79 113.55 119.06 3b3m h SER 367 Ca 0.00 -0.24 -0.06 0.00 -1.23 0.00 0.00 61.79 60.26 3b3m h SER 367 Cb 0.65 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3b3m h SER 367 CO 0.05 0.93 -0.16 0.77 -0.53 0.00 0.00 176.83 177.89 3b3m h SER 368 N 0.75 0.28 -0.46 6.23 4.64 -0.24 -2.06 113.55 122.69 3b3m h SER 368 Ca 0.13 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 3b3m h SER 368 Cb 0.58 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 3b3m h SER 368 CO 0.04 0.46 0.02 2.30 -0.87 0.00 0.00 176.83 178.78 3b3m n ILE 369 N -4.23 2.18 -3.98 0.95 -5.35 -0.95 -4.93 119.36 103.06 3b3m n ILE 369 Ca -0.00 -1.11 -0.30 0.00 -0.27 0.00 0.00 62.75 61.07 3b3m n ILE 369 Cb 0.30 -0.34 0.00 0.00 -1.74 0.00 0.00 39.64 37.86 3b3m n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3b3m n LYS 370 N 0.43 -4.35 -1.96 6.28 5.02 -0.77 -4.87 118.16 117.93 3b3m n LYS 370 Ca 0.23 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 3b3m n LYS 370 Cb 1.01 -5.15 0.05 0.00 -0.02 0.00 0.00 35.03 30.92 3b3m n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3b3m n ARG 371 N -4.49 1.16 -2.19 1.97 1.74 0.24 -5.03 116.66 110.06 3b3m n ARG 371 Ca -0.06 -2.91 -0.42 0.00 -0.77 0.00 0.00 57.85 53.69 3b3m n ARG 371 Cb 0.57 -0.99 -0.03 0.00 -1.02 0.00 0.00 32.46 30.98 3b3m n ARG 371 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3b3m s PHE 372 N -2.12 3.25 0.00 -1.55 5.36 -1.15 -2.52 117.98 119.25 3b3m s PHE 372 Ca 0.33 1.04 0.00 0.00 -0.96 0.00 0.00 56.93 57.34 3b3m s PHE 372 Cb 0.36 -3.66 0.00 0.00 -0.34 0.00 0.00 43.02 39.39 3b3m s PHE 372 CO -0.09 -2.22 0.00 0.41 -1.46 0.00 0.00 175.22 171.86 3b3m n GLY 373 N 3.13 2.78 3.41 13.12 0.00 -1.26 -5.01 105.19 121.36 3b3m n GLY 373 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 3b3m n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b3m s SER 374 N -2.91 0.15 0.12 1.61 1.04 -1.05 -4.71 113.70 107.95 3b3m s SER 374 Ca 0.00 1.35 -0.14 0.00 0.48 0.00 0.00 55.95 57.63 3b3m s SER 374 Cb 0.00 -2.06 -0.03 0.00 0.10 0.00 0.00 66.02 64.03 3b3m s SER 374 CO 0.00 -4.69 1.52 0.50 0.98 0.00 0.00 173.24 171.55 3b3m h LYS 375 N -2.96 0.75 -0.40 4.02 3.64 -1.95 -1.07 116.57 118.60 3b3m h LYS 375 Ca -0.59 -0.29 0.05 0.00 -1.27 0.00 0.00 60.65 58.55 3b3m h LYS 375 Cb 1.34 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.07 3b3m h LYS 375 CO 0.45 0.90 0.13 0.00 -2.27 0.00 0.00 179.45 178.65 3b3m h ALA 376 N 0.83 0.47 0.06 5.00 0.00 -1.91 1.16 119.26 124.86 3b3m h ALA 376 Ca 0.10 0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.08 3b3m h ALA 376 Cb 0.63 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3b3m h ALA 376 CO 0.04 -0.27 -0.17 1.25 0.00 0.00 0.00 179.25 180.10 3b3m h HIS 377 N 0.28 -0.45 -0.39 0.00 -0.00 -1.73 0.34 115.15 113.21 3b3m h HIS 377 Ca 0.19 0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.56 3b3m h HIS 377 Cb 0.19 0.19 -0.02 0.00 -0.00 0.00 0.00 27.41 27.77 3b3m h HIS 377 CO -0.16 -0.25 0.21 0.52 -0.00 0.00 0.00 177.93 178.25 3b3m h MET 378 N -0.31 0.54 0.21 5.26 2.07 -0.38 -1.13 114.93 121.19 3b3m h MET 378 Ca 0.04 -0.06 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 3b3m h MET 378 Cb 0.35 -0.11 -0.02 0.00 -1.87 0.00 0.00 31.60 29.96 3b3m h MET 378 CO -0.12 0.44 -0.21 -0.44 1.07 0.00 0.00 176.91 177.64 3b3m h ASP 379 N 0.50 -0.57 -0.60 1.22 3.45 0.16 -0.84 116.42 119.73 3b3m h ASP 379 Ca 0.14 0.06 0.09 0.00 0.43 0.00 0.00 57.03 57.74 3b3m h ASP 379 Cb 0.06 0.20 -0.07 0.00 -0.56 0.00 0.00 39.33 38.96 3b3m h ASP 379 CO -0.02 -0.32 0.23 -0.09 -1.57 0.00 0.00 179.24 177.47 3b3m h ARG 380 N -0.46 0.40 -0.54 3.56 9.65 -0.83 0.21 114.38 126.36 3b3m h ARG 380 Ca 0.00 -0.02 0.06 0.00 -1.10 0.00 0.00 59.98 58.92 3b3m h ARG 380 Cb 0.43 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.87 3b3m h ARG 380 CO -0.06 0.26 0.25 1.25 2.80 0.00 0.00 179.97 184.48 3b3m h LEU 381 N 0.41 0.34 -0.35 3.80 5.85 -0.73 0.59 115.31 125.22 3b3m h LEU 381 Ca 0.30 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.96 3b3m h LEU 381 Cb 0.37 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3b3m h LEU 381 CO -0.30 0.23 -0.18 -0.08 -0.34 0.00 0.00 178.44 177.77 3b3m h GLU 382 N 0.48 0.74 -0.53 1.25 4.57 -0.18 -1.57 114.58 119.34 3b3m h GLU 382 Ca 0.25 -0.33 0.08 0.00 -1.18 0.00 0.00 59.36 58.18 3b3m h GLU 382 Cb 0.20 -0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.71 3b3m h GLU 382 CO -0.20 0.94 0.17 1.49 -1.18 0.00 0.00 179.01 180.23 3b3m h GLU 383 N 0.53 0.33 -0.50 1.92 4.81 0.11 0.14 114.58 121.92 3b3m h GLU 383 Ca 0.08 -0.02 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 3b3m h GLU 383 Cb 0.73 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3b3m h GLU 383 CO 0.05 0.22 -0.19 0.28 -0.73 0.00 0.00 179.01 178.64 3b3m h VAL 384 N 0.34 1.27 -0.04 0.32 2.07 -0.83 -1.21 116.25 118.17 3b3m h VAL 384 Ca 0.26 -1.36 0.00 0.00 0.82 0.00 0.00 66.70 66.43 3b3m h VAL 384 Cb 0.31 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.17 3b3m h VAL 384 CO -0.29 0.47 0.02 -1.13 0.02 0.00 0.00 177.57 176.66 3b3m h ASN 385 N 0.87 0.03 -0.76 0.57 -0.73 -0.47 0.85 115.58 115.94 3b3m h ASN 385 Ca 0.12 0.00 0.03 0.00 1.87 0.00 0.00 56.30 58.32 3b3m h ASN 385 Cb 0.77 -0.01 -0.05 0.00 0.27 0.00 0.00 38.32 39.31 3b3m h ASN 385 CO 0.06 0.02 0.49 0.11 -0.37 0.00 0.00 177.43 177.74 3b3m h LYS 386 N 0.04 0.93 -0.61 6.67 1.57 -0.65 -1.11 116.57 123.41 3b3m h LYS 386 Ca 0.01 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3b3m h LYS 386 Cb -0.00 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.07 3b3m h LYS 386 CO -0.01 0.61 0.21 1.49 -0.57 0.00 0.00 179.45 181.19 3b3m h GLU 387 N 0.95 0.93 -0.26 3.15 4.81 -0.79 -0.82 114.58 122.56 3b3m h GLU 387 Ca 0.30 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3b3m h GLU 387 Cb -0.01 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3b3m h GLU 387 CO -0.10 0.81 0.07 0.82 -0.73 0.00 0.00 179.01 179.88 3b3m h ILE 388 N 0.86 1.21 -0.74 2.32 2.04 -0.35 0.86 117.51 123.70 3b3m h ILE 388 Ca 0.20 -0.67 -0.04 0.00 1.00 0.00 0.00 64.86 65.36 3b3m h ILE 388 Cb 0.25 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 3b3m h ILE 388 CO -0.01 0.22 0.31 -0.08 0.00 0.00 0.00 178.15 178.59 3b3m h GLU 389 N 0.25 1.09 0.09 2.37 4.22 -1.10 1.03 114.58 122.53 3b3m h GLU 389 Ca 0.08 -0.18 -0.14 0.00 0.08 0.00 0.00 59.36 59.20 3b3m h GLU 389 Cb 0.26 -0.19 0.02 0.00 0.50 0.00 0.00 28.75 29.34 3b3m h GLU 389 CO -0.00 0.87 -0.62 1.03 -2.18 0.00 0.00 179.01 178.12 3b3m h SER 390 N 1.07 0.38 -0.13 1.04 0.87 -0.96 -3.38 113.55 112.44 3b3m h SER 390 Ca 0.25 -0.93 0.00 0.00 -1.23 0.00 0.00 61.79 59.88 3b3m h SER 390 Cb 0.18 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 3b3m h SER 390 CO -0.02 1.28 0.00 0.35 -0.53 0.00 0.00 176.83 177.90 3b3m n THR 391 N -4.24 0.26 -1.14 2.23 -2.24 0.30 -4.97 114.28 104.47 3b3m n THR 391 Ca -0.13 -0.63 -0.05 0.00 -2.27 0.00 0.00 64.05 60.98 3b3m n THR 391 Cb 0.73 1.08 -0.02 0.00 -2.10 0.00 0.00 70.33 70.02 3b3m n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3b3m n SER 392 N 0.78 -5.39 -2.12 3.42 3.41 0.36 -4.86 113.62 109.22 3b3m n SER 392 Ca 0.10 0.12 -0.01 0.00 -0.26 0.00 0.00 58.87 58.82 3b3m n SER 392 Cb 0.38 -3.32 0.01 0.00 -0.26 0.00 0.00 64.21 61.02 3b3m n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 3b3m n THR 393 N -2.26 0.00 -3.77 6.66 5.66 -1.24 -4.76 114.28 114.57 3b3m n THR 393 Ca -0.05 -0.27 -0.09 0.00 -3.05 0.00 0.00 64.05 60.59 3b3m n THR 393 Cb 0.46 0.38 -0.03 0.00 -1.55 0.00 0.00 70.33 69.59 3b3m n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 3b3m s TYR 394 N -4.10 -0.13 -0.12 1.09 -0.85 -1.26 -3.13 117.35 108.85 3b3m s TYR 394 Ca 0.11 -0.24 -0.00 0.00 -0.52 0.00 0.00 57.07 56.42 3b3m s TYR 394 Cb -0.01 0.49 -0.02 0.00 0.38 0.00 0.00 41.96 42.80 3b3m s TYR 394 CO 0.03 -1.03 -0.11 -0.65 -1.52 0.00 0.00 175.55 172.27 3b3m s GLN 395 N -3.89 3.29 0.39 -3.49 -1.52 -1.26 -5.05 119.66 108.13 3b3m s GLN 395 Ca 0.10 -0.64 -0.24 0.00 -1.95 0.00 0.00 55.36 52.64 3b3m s GLN 395 Cb -0.03 -2.66 -0.10 0.00 -0.22 0.00 0.00 33.01 30.01 3b3m s GLN 395 CO 0.01 0.31 1.00 -0.51 -0.25 0.00 0.00 175.29 175.85 3b3m s LEU 396 N 0.13 4.14 0.60 2.90 1.43 -1.26 -5.03 118.68 121.58 3b3m s LEU 396 Ca -0.05 1.92 -0.14 0.00 -1.03 0.00 0.00 54.13 54.82 3b3m s LEU 396 Cb -0.15 -4.22 -0.04 0.00 0.03 0.00 0.00 46.19 41.81 3b3m s LEU 396 CO 0.04 -0.37 1.04 -0.54 0.23 0.00 0.00 176.35 176.75 3b3m s LYS 397 N -2.54 3.42 0.33 1.70 -0.14 -1.26 -4.81 119.74 116.44 3b3m s LYS 397 Ca 0.57 1.04 0.05 0.00 -1.36 0.00 0.00 55.97 56.27 3b3m s LYS 397 Cb -0.18 -2.05 0.68 0.00 -1.68 0.00 0.00 37.83 34.59 3b3m s LYS 397 CO 0.23 -0.71 1.89 -0.44 -0.76 0.00 0.00 175.35 175.56 3b3m h ASP 398 N 0.22 0.78 -0.85 2.83 3.32 -1.99 0.06 116.42 120.79 3b3m h ASP 398 Ca -0.46 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.59 3b3m h ASP 398 Cb 1.21 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.58 3b3m h ASP 398 CO 0.59 0.44 0.41 0.71 -1.72 0.00 0.00 179.24 179.67 3b3m h THR 399 N 0.85 1.26 -0.31 0.35 1.35 -2.00 -1.04 112.91 113.38 3b3m h THR 399 Ca 0.42 -0.73 -0.15 0.00 -0.55 0.00 0.00 66.41 65.40 3b3m h THR 399 Cb 0.47 0.17 -0.01 0.00 -1.73 0.00 0.00 68.15 67.05 3b3m h THR 399 CO -0.19 0.31 -0.41 -0.33 -0.25 0.00 0.00 175.52 174.66 3b3m h GLU 400 N 1.22 0.76 -0.26 4.72 5.08 -1.42 -1.69 114.58 123.00 3b3m h GLU 400 Ca 0.29 -0.40 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3b3m h GLU 400 Cb 0.12 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3b3m h GLU 400 CO -0.04 1.03 0.04 1.25 -1.00 0.00 0.00 179.01 180.29 3b3m h LEU 401 N 0.62 0.41 -0.06 1.33 5.85 -0.80 0.15 115.31 122.80 3b3m h LEU 401 Ca 0.05 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.50 3b3m h LEU 401 Cb 0.96 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.88 3b3m h LEU 401 CO 0.09 0.57 0.04 0.40 -0.34 0.00 0.00 178.44 179.20 3b3m h ILE 402 N 0.23 1.06 -0.57 4.05 2.04 -1.14 -0.31 117.51 122.87 3b3m h ILE 402 Ca 0.08 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.80 3b3m h ILE 402 Cb 0.34 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 3b3m h ILE 402 CO 0.01 0.05 0.36 0.22 0.00 0.00 0.00 178.15 178.78 3b3m h TYR 403 N 0.04 0.67 -0.34 1.37 3.20 -1.26 -1.29 116.97 119.36 3b3m h TYR 403 Ca 0.02 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3b3m h TYR 403 Cb 0.05 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 3b3m h TYR 403 CO -0.06 0.40 0.16 0.78 -1.64 0.00 0.00 178.16 177.80 3b3m h GLY 404 N 0.71 0.53 0.92 1.82 0.00 -0.40 -0.96 103.07 105.70 3b3m h GLY 404 Ca 0.22 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 3b3m h GLY 404 CO -0.08 0.26 0.10 0.00 0.00 0.00 0.00 176.54 176.82 3b3m h ALA 405 N 1.01 0.46 -0.56 3.60 0.00 -0.84 0.25 119.26 123.18 3b3m h ALA 405 Ca 0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3b3m h ALA 405 Cb 0.14 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 3b3m h ALA 405 CO -0.01 0.11 0.33 0.87 0.00 0.00 0.00 179.25 180.55 3b3m h LYS 406 N 0.42 0.75 0.00 0.00 1.57 -1.12 -2.32 116.57 115.87 3b3m h LYS 406 Ca 0.11 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 3b3m h LYS 406 Cb 0.27 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3b3m h LYS 406 CO -0.00 0.53 -0.66 0.45 -0.57 0.00 0.00 179.45 179.20 3b3m h HIS 407 N 0.77 0.00 -0.86 -1.35 3.86 -0.70 -0.88 115.15 115.99 3b3m h HIS 407 Ca 0.20 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.40 3b3m h HIS 407 Cb -0.03 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.40 3b3m h HIS 407 CO 0.00 0.66 0.48 0.00 0.86 0.00 0.00 177.93 179.93 3b3m h ALA 408 N 1.34 1.10 -0.21 2.45 0.00 -0.42 0.18 119.26 123.69 3b3m h ALA 408 Ca -0.01 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 3b3m h ALA 408 Cb 1.40 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 3b3m h ALA 408 CO 0.09 0.60 -0.19 2.35 0.00 0.00 0.00 179.25 182.10 3b3m h TRP 409 N 1.19 0.59 -0.81 0.00 7.01 -1.31 -1.99 115.95 120.65 3b3m h TRP 409 Ca 0.30 -0.17 0.10 0.00 2.11 0.00 0.00 58.89 61.23 3b3m h TRP 409 Cb 0.02 -0.13 -0.06 0.00 -2.10 0.00 0.00 29.16 26.90 3b3m h TRP 409 CO 0.01 0.84 0.53 -0.09 -2.79 0.00 0.00 178.44 176.93 3b3m h ARG 410 N 0.18 0.70 -0.01 2.65 2.43 -0.69 -1.59 114.38 118.05 3b3m h ARG 410 Ca 0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 3b3m h ARG 410 Cb 0.73 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 3b3m h ARG 410 CO 0.05 0.47 -0.10 0.09 -1.51 0.00 0.00 179.97 178.97 3b3m n ASN 411 N -4.51 0.95 -4.55 -3.80 3.02 0.58 -4.82 115.26 102.13 3b3m n ASN 411 Ca 0.14 -1.05 -0.36 0.00 -0.03 0.00 0.00 54.58 53.28 3b3m n ASN 411 Cb 0.34 0.02 -0.04 0.00 -0.61 0.00 0.00 39.78 39.50 3b3m n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3b3m s ALA 412 N -2.25 2.08 0.63 5.41 0.00 -0.60 -4.71 121.76 122.32 3b3m s ALA 412 Ca 0.33 -0.94 0.40 0.00 0.00 0.00 0.00 51.96 51.75 3b3m s ALA 412 Cb 0.20 -4.37 2.21 0.00 0.00 0.00 0.00 23.12 21.16 3b3m s ALA 412 CO 0.42 -4.09 2.32 0.66 0.00 0.00 0.00 175.76 175.08 3b3m h SER 413 N 13.69 0.00 -0.09 0.00 4.64 -1.88 -1.80 113.55 128.10 3b3m h SER 413 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3b3m h SER 413 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3b3m h SER 413 CO 1.22 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.73 3b3m n ARG 414 N -3.33 1.98 -3.41 4.77 1.74 -1.26 -0.38 116.66 116.77 3b3m n ARG 414 Ca -0.03 -1.43 -0.39 0.00 -0.77 0.00 0.00 57.85 55.22 3b3m n ARG 414 Cb 0.08 -1.46 -0.09 0.00 -1.02 0.00 0.00 32.46 29.97 3b3m n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3b3m n VAL 416 N 5.14 0.52 -0.47 0.00 3.14 -1.26 -3.84 118.33 121.55 3b3m n VAL 416 Ca -0.09 -0.26 0.07 0.00 -2.96 0.00 0.00 64.34 61.10 3b3m n VAL 416 Cb 0.51 -0.51 0.33 0.00 -1.06 0.00 0.00 33.84 33.10 3b3m n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3b3m n GLY 417 N 1.33 2.59 0.00 7.55 0.00 -1.26 -4.34 105.19 111.05 3b3m n GLY 417 Ca 0.05 -0.76 0.03 0.00 0.00 0.00 0.00 46.02 45.34 3b3m n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3b3m n ARG 418 N 0.69 0.11 0.28 1.61 1.74 -1.25 -1.91 116.66 117.92 3b3m n ARG 418 Ca 0.23 0.15 0.15 0.00 -0.77 0.00 0.00 57.85 57.62 3b3m n ARG 418 Cb 0.95 -1.50 0.78 0.00 -1.02 0.00 0.00 32.46 31.66 3b3m n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3b3m h ILE 419 N 0.00 0.34 -0.01 0.55 2.10 -1.88 -1.16 117.51 117.45 3b3m h ILE 419 Ca 0.00 -0.50 0.00 0.00 1.08 0.00 0.00 64.86 65.44 3b3m h ILE 419 Cb 0.03 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 37.13 3b3m h ILE 419 CO 0.00 0.08 -0.07 0.00 -1.08 0.00 0.00 178.15 177.09 3b3m n GLN 420 N -3.40 1.05 -0.34 2.19 1.13 -0.80 -4.57 117.38 112.64 3b3m n GLN 420 Ca -0.01 -0.41 0.21 0.00 -1.94 0.00 0.00 57.00 54.85 3b3m n GLN 420 Cb 0.24 -1.49 0.45 0.00 0.11 0.00 0.00 30.24 29.55 3b3m n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 3b3m h TRP 421 N 1.00 0.92 0.00 1.08 5.08 -1.40 -1.22 115.95 121.41 3b3m h TRP 421 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 3b3m h TRP 421 Cb 0.33 -0.26 0.00 0.00 -3.00 0.00 0.00 29.16 26.24 3b3m h TRP 421 CO 0.00 -0.03 0.00 -1.13 -1.28 0.00 0.00 178.44 176.00 3b3m n SER 422 N -4.90 0.00 -1.64 0.11 3.41 -1.26 -3.35 113.62 105.99 3b3m n SER 422 Ca 0.29 0.20 0.08 0.00 -0.26 0.00 0.00 58.87 59.17 3b3m n SER 422 Cb 0.88 -0.39 0.36 0.00 -0.26 0.00 0.00 64.21 64.80 3b3m n SER 422 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3b3m n LYS 423 N -1.39 4.02 -2.04 4.33 4.01 -0.46 -4.98 118.16 121.65 3b3m n LYS 423 Ca 0.09 -2.79 -0.42 0.00 -0.51 0.00 0.00 58.31 54.68 3b3m n LYS 423 Cb 0.25 -2.01 -0.03 0.00 -0.51 0.00 0.00 35.03 32.73 3b3m n LYS 423 CO 0.00 0.00 0.00 -1.17 -1.11 0.00 0.00 177.40 175.12 3b3m s LEU 424 N -2.09 4.36 -0.20 -0.35 2.96 -1.21 -4.73 118.68 117.42 3b3m s LEU 424 Ca 0.49 2.44 -0.21 0.00 -0.22 0.00 0.00 54.13 56.64 3b3m s LEU 424 Cb 0.34 -3.58 -0.02 0.00 0.50 0.00 0.00 46.19 43.43 3b3m s LEU 424 CO 0.20 -0.77 0.64 -1.58 -1.32 0.00 0.00 176.35 173.52 3b3m s GLN 425 N 1.61 4.20 -0.23 1.98 2.00 -0.93 -4.97 119.66 123.33 3b3m s GLN 425 Ca 0.69 0.64 -0.06 0.00 -2.00 0.00 0.00 55.36 54.62 3b3m s GLN 425 Cb -0.39 -3.59 -0.03 0.00 0.80 0.00 0.00 33.01 29.80 3b3m s GLN 425 CO 0.31 -0.27 0.03 0.08 -0.50 0.00 0.00 175.29 174.94 3b3m s VAL 426 N 2.01 4.10 -0.32 1.34 1.01 -1.26 -1.40 120.40 125.87 3b3m s VAL 426 Ca 0.29 -0.25 -0.10 0.00 0.00 0.00 0.00 61.98 61.92 3b3m s VAL 426 Cb -0.16 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3b3m s VAL 426 CO 0.10 0.38 0.17 -0.36 0.00 0.00 0.00 175.10 175.39 3b3m s PHE 427 N 1.34 3.19 -0.46 5.22 0.08 0.56 -4.98 117.98 122.93 3b3m s PHE 427 Ca 0.05 -0.65 -0.29 0.00 0.12 0.00 0.00 56.93 56.16 3b3m s PHE 427 Cb -0.15 -2.37 0.03 0.00 -0.57 0.00 0.00 43.02 39.96 3b3m s PHE 427 CO 0.02 -0.49 1.11 0.34 -0.10 0.00 0.00 175.22 176.09 3b3m s ASP 428 N 1.60 6.64 -0.25 1.36 3.68 -1.26 -0.74 116.67 127.70 3b3m s ASP 428 Ca 0.04 0.48 0.10 0.00 2.13 0.00 0.00 52.55 55.30 3b3m s ASP 428 Cb -0.17 -2.54 0.47 0.00 -1.45 0.00 0.00 42.92 39.23 3b3m s ASP 428 CO 0.06 -1.20 1.38 0.00 0.13 0.00 0.00 175.17 175.54 3b3m n ALA 429 N 7.68 3.96 0.43 3.66 0.00 0.20 -4.69 120.51 131.75 3b3m n ALA 429 Ca 0.11 -3.12 0.07 0.00 0.00 0.00 0.00 53.44 50.50 3b3m n ALA 429 Cb 0.49 -0.61 0.30 0.00 0.00 0.00 0.00 19.45 19.63 3b3m n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3b3m n ARG 430 N -1.10 0.02 -0.03 0.00 1.74 -1.01 -1.82 116.66 114.47 3b3m n ARG 430 Ca 0.28 0.30 0.13 0.00 -0.77 0.00 0.00 57.85 57.79 3b3m n ARG 430 Cb 0.91 -1.55 0.40 0.00 -1.02 0.00 0.00 32.46 31.20 3b3m n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 3b3m n ASP 431 N -1.59 1.94 -4.77 0.55 3.85 -1.26 -4.47 116.55 110.80 3b3m n ASP 431 Ca 0.03 -1.66 -0.40 0.00 -0.71 0.00 0.00 54.79 52.05 3b3m n ASP 431 Cb 0.16 -0.03 -0.03 0.00 -1.35 0.00 0.00 41.12 39.87 3b3m n ASP 431 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3b3m n THR 433 N 0.76 0.00 -4.44 0.00 -2.24 -1.26 -4.75 114.28 102.36 3b3m n THR 433 Ca 0.01 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 3b3m n THR 433 Cb 0.44 0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.67 3b3m n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3b3m s THR 434 N -1.25 1.51 0.31 4.28 -4.23 -1.26 -4.56 115.64 110.45 3b3m s THR 434 Ca 0.00 -2.08 0.02 0.00 -1.18 0.00 0.00 61.69 58.45 3b3m s THR 434 Cb 0.00 -2.56 0.15 0.00 1.34 0.00 0.00 72.50 71.43 3b3m s THR 434 CO 0.00 -0.21 1.84 0.00 -0.54 0.00 0.00 174.62 175.71 3b3m h ALA 435 N 2.22 1.29 -0.45 3.99 0.00 -1.89 -1.24 119.26 123.18 3b3m h ALA 435 Ca -0.40 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.20 3b3m h ALA 435 Cb 1.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 3b3m h ALA 435 CO 0.68 0.49 -0.12 0.45 0.00 0.00 0.00 179.25 180.75 3b3m h HIS 436 N 0.62 0.91 -0.79 0.00 -0.00 -1.95 -0.60 115.15 113.33 3b3m h HIS 436 Ca 0.13 -0.17 -0.05 0.00 -0.00 0.00 0.00 60.37 60.28 3b3m h HIS 436 Cb 0.34 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 27.48 3b3m h HIS 436 CO 0.01 0.89 0.30 0.78 -0.00 0.00 0.00 177.93 179.91 3b3m h GLY 437 N 0.97 1.28 0.98 2.45 0.00 -1.76 -1.53 103.07 105.46 3b3m h GLY 437 Ca 0.12 -0.71 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 3b3m h GLY 437 CO 0.04 0.67 0.27 -0.33 0.00 0.00 0.00 176.54 177.19 3b3m h MET 438 N 1.15 0.68 -0.44 4.80 0.00 -0.83 -1.21 114.93 119.09 3b3m h MET 438 Ca 0.26 -0.08 0.04 0.00 0.00 0.00 0.00 59.70 59.92 3b3m h MET 438 Cb 0.24 -0.14 -0.04 0.00 0.00 0.00 0.00 31.60 31.67 3b3m h MET 438 CO -0.02 0.53 0.21 0.35 0.00 0.00 0.00 176.91 177.99 3b3m h PHE 439 N 0.65 0.39 -0.32 -0.22 3.04 -0.62 0.65 116.94 120.51 3b3m h PHE 439 Ca 0.17 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.14 3b3m h PHE 439 Cb 0.04 -0.11 -0.02 0.00 2.56 0.00 0.00 35.95 38.43 3b3m h PHE 439 CO -0.02 0.19 0.20 -0.97 -2.02 0.00 0.00 178.31 175.70 3b3m h ASN 440 N 0.43 0.38 -0.87 0.41 -1.24 -0.88 -0.63 115.58 113.18 3b3m h ASN 440 Ca 0.19 -0.03 -0.00 0.00 0.71 0.00 0.00 56.30 57.17 3b3m h ASN 440 Cb 0.11 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.02 3b3m h ASN 440 CO -0.14 0.30 0.53 1.88 -1.29 0.00 0.00 177.43 178.70 3b3m h TYR 441 N 0.43 1.15 -0.42 0.67 -1.99 -0.88 -2.06 116.97 113.86 3b3m h TYR 441 Ca 0.12 -0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.73 3b3m h TYR 441 Cb -0.02 -0.38 -0.01 0.00 2.00 0.00 0.00 36.73 38.32 3b3m h TYR 441 CO -0.05 0.77 -0.18 0.82 -0.00 0.00 0.00 178.16 179.52 3b3m h ILE 442 N 1.20 1.28 -0.87 -2.88 2.04 -0.42 -1.24 117.51 116.62 3b3m h ILE 442 Ca 0.31 -1.32 -0.02 0.00 1.00 0.00 0.00 64.86 64.84 3b3m h ILE 442 Cb -0.05 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.22 3b3m h ILE 442 CO -0.06 0.44 0.47 0.00 0.00 0.00 0.00 178.15 179.01 3b3m h ASN 444 N 1.22 0.67 0.64 0.00 2.35 -1.17 0.10 115.58 119.40 3b3m h ASN 444 Ca 0.31 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 3b3m h ASN 444 Cb 0.03 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.23 3b3m h ASN 444 CO -0.05 0.81 -0.31 -0.74 -1.65 0.00 0.00 177.43 175.49 3b3m h HIS 445 N 0.63 -0.80 -0.61 1.19 2.76 -0.48 0.74 115.15 118.58 3b3m h HIS 445 Ca 0.11 -0.02 0.13 0.00 -2.20 0.00 0.00 60.37 58.39 3b3m h HIS 445 Cb 0.54 0.26 -0.10 0.00 1.55 0.00 0.00 27.41 29.66 3b3m h HIS 445 CO 0.02 -0.45 0.01 0.28 -1.30 0.00 0.00 177.93 176.49 3b3m h VAL 446 N -1.08 0.51 -0.47 5.26 2.07 -0.58 0.35 116.25 122.31 3b3m h VAL 446 Ca -0.09 -0.04 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 3b3m h VAL 446 Cb 0.70 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3b3m h VAL 446 CO 0.14 0.02 0.04 0.50 0.02 0.00 0.00 177.57 178.29 3b3m h LYS 447 N 0.12 0.80 -0.01 1.57 3.64 -0.74 -1.01 116.57 120.94 3b3m h LYS 447 Ca 0.32 -0.24 -0.00 0.00 -1.27 0.00 0.00 60.65 59.46 3b3m h LYS 447 Cb 0.51 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3b3m h LYS 447 CO -0.52 0.84 0.00 -0.92 -2.27 0.00 0.00 179.45 176.59 3b3m h TYR 448 N 0.66 0.02 -0.61 1.91 3.20 0.29 -2.06 116.97 120.38 3b3m h TYR 448 Ca 0.14 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.95 3b3m h TYR 448 Cb 0.45 -0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.69 3b3m h TYR 448 CO 0.03 0.15 0.15 0.00 -1.64 0.00 0.00 178.16 176.85 3b3m h ALA 449 N 0.87 0.81 -0.29 1.82 0.00 -0.34 -3.14 119.26 118.97 3b3m h ALA 449 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3b3m h ALA 449 Cb 0.14 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3b3m h ALA 449 CO -0.00 0.51 0.13 1.15 0.00 0.00 0.00 179.25 181.04 3b3m h THR 450 N 0.89 1.17 -6.86 0.00 2.02 -1.17 0.35 112.91 109.31 3b3m h THR 450 Ca 0.19 -0.51 -0.57 0.00 0.77 0.00 0.00 66.41 66.29 3b3m h THR 450 Cb 0.35 0.96 -0.13 0.00 -1.74 0.00 0.00 68.15 67.59 3b3m h THR 450 CO 0.00 0.18 -0.95 -3.20 0.37 0.00 0.00 175.52 171.92 3b3m n ASN 451 N -4.76 -0.04 -2.04 4.18 5.15 -0.78 -0.34 115.26 116.64 3b3m n ASN 451 Ca -0.02 -1.19 -0.18 0.00 -0.60 0.00 0.00 54.58 52.59 3b3m n ASN 451 Cb 0.12 -2.12 -0.04 0.00 -0.53 0.00 0.00 39.78 37.21 3b3m n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3b3m n LYS 452 N -4.56 -1.66 0.00 1.20 5.02 -1.26 -1.68 118.16 115.22 3b3m n LYS 452 Ca -0.30 0.98 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 3b3m n LYS 452 Cb 0.68 -5.49 0.00 0.00 -0.02 0.00 0.00 35.03 30.20 3b3m n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3b3m n GLY 453 N -0.69 2.52 3.03 0.72 0.00 0.54 -4.91 105.19 106.40 3b3m n GLY 453 Ca -0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 3b3m n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3b3m n ASN 454 N 0.00 5.71 -4.60 1.61 4.05 -0.68 -0.46 115.26 120.89 3b3m n ASN 454 Ca 0.00 -3.22 -0.42 0.00 0.45 0.00 0.00 54.58 51.39 3b3m n ASN 454 Cb 0.00 -1.39 0.00 0.00 1.23 0.00 0.00 39.78 39.62 3b3m n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3b3m n LEU 455 N 2.85 2.30 -4.03 1.20 4.77 -1.20 -4.47 117.00 118.41 3b3m n LEU 455 Ca 0.32 1.09 -0.23 0.00 -0.03 0.00 0.00 56.01 57.15 3b3m n LEU 455 Cb 0.36 -1.33 -0.16 0.00 -2.33 0.00 0.00 43.42 39.96 3b3m n LEU 455 CO 0.72 -1.45 -0.46 -0.13 -1.33 0.00 0.00 177.39 174.74 3b3m s ARG 456 N -1.84 1.40 0.40 3.23 0.52 0.12 -4.99 118.95 117.79 3b3m s ARG 456 Ca 0.61 -0.40 -0.26 0.00 -0.52 0.00 0.00 55.73 55.16 3b3m s ARG 456 Cb -0.60 -1.22 -0.09 0.00 0.52 0.00 0.00 34.95 33.56 3b3m s ARG 456 CO 0.58 0.10 1.30 -1.54 0.02 0.00 0.00 175.30 175.76 3b3m s SER 457 N 0.38 6.34 0.15 0.23 1.04 -1.26 -4.40 113.70 116.16 3b3m s SER 457 Ca -0.08 2.64 -0.24 0.00 0.48 0.00 0.00 55.95 58.76 3b3m s SER 457 Cb -0.12 -2.64 0.07 0.00 0.10 0.00 0.00 66.02 63.43 3b3m s SER 457 CO 0.02 -0.83 0.65 0.00 0.98 0.00 0.00 173.24 174.06 3b3m s ALA 458 N -1.26 -1.60 -0.04 5.32 0.00 -0.63 -2.18 121.76 121.36 3b3m s ALA 458 Ca 0.57 0.49 -0.06 0.00 0.00 0.00 0.00 51.96 52.96 3b3m s ALA 458 Cb -0.38 0.82 0.01 0.00 0.00 0.00 0.00 23.12 23.58 3b3m s ALA 458 CO 0.49 -0.78 0.14 -1.50 0.00 0.00 0.00 175.76 174.11 3b3m s ILE 459 N -3.68 0.02 -0.13 0.00 2.07 -0.49 -0.41 121.20 118.58 3b3m s ILE 459 Ca 0.02 -0.19 0.02 0.00 -1.41 0.00 0.00 60.65 59.10 3b3m s ILE 459 Cb -0.01 -0.27 -0.00 0.00 0.13 0.00 0.00 42.46 42.30 3b3m s ILE 459 CO -0.11 -0.10 -0.19 -0.89 -1.91 0.00 0.00 174.94 171.74 3b3m s THR 460 N -0.30 2.42 -0.28 4.00 2.01 -0.04 -0.33 115.64 123.13 3b3m s THR 460 Ca -0.04 -0.87 -0.03 0.00 0.31 0.00 0.00 61.69 61.06 3b3m s THR 460 Cb -0.03 -1.98 0.03 0.00 0.01 0.00 0.00 72.50 70.53 3b3m s THR 460 CO 0.00 0.54 -0.00 -0.63 -0.69 0.00 0.00 174.62 173.84 3b3m s ILE 461 N 0.60 3.22 0.73 1.82 1.01 0.08 -3.05 121.20 125.60 3b3m s ILE 461 Ca -0.11 -1.04 -0.06 0.00 0.00 0.00 0.00 60.65 59.44 3b3m s ILE 461 Cb -0.16 -2.71 0.09 0.00 0.01 0.00 0.00 42.46 39.69 3b3m s ILE 461 CO 0.03 0.07 1.03 -0.36 0.00 0.00 0.00 174.94 175.72 3b3m s PHE 462 N 1.35 2.51 0.37 3.97 0.08 -0.71 0.61 117.98 126.17 3b3m s PHE 462 Ca -0.01 0.27 -0.25 0.00 0.12 0.00 0.00 56.93 57.06 3b3m s PHE 462 Cb -0.18 -3.25 -0.12 0.00 -0.57 0.00 0.00 43.02 38.90 3b3m s PHE 462 CO -0.02 -1.59 0.97 -2.30 -0.10 0.00 0.00 175.22 172.19 3b3m n PRO 463 N -2.98 1.29 -1.80 0.24 -0.02 -1.25 -4.65 135.00 125.83 3b3m n PRO 463 Ca 0.10 0.46 -0.32 0.00 -2.02 0.00 0.00 63.50 61.73 3b3m n PRO 463 Cb 0.60 -1.93 0.03 0.00 -0.02 0.00 0.00 33.50 32.18 3b3m n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3b3m s GLN 464 N -1.81 3.17 0.50 -0.52 -2.07 -1.26 -4.58 119.66 113.09 3b3m s GLN 464 Ca 0.61 1.03 -0.23 0.00 -1.82 0.00 0.00 55.36 54.95 3b3m s GLN 464 Cb -0.61 -2.02 -0.07 0.00 -1.09 0.00 0.00 33.01 29.22 3b3m s GLN 464 CO 0.58 -0.92 1.39 -2.13 -1.32 0.00 0.00 175.29 172.89 3b3m n ARG 465 N -2.63 1.95 0.00 9.60 0.63 0.15 -4.93 116.66 121.42 3b3m n ARG 465 Ca 0.08 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.71 3b3m n ARG 465 Cb 0.53 -2.60 0.00 0.00 0.45 0.00 0.00 32.46 30.85 3b3m n ARG 465 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3b3m n THR 466 N -0.64 0.00 0.21 5.15 -2.24 -1.26 -4.77 114.28 110.73 3b3m n THR 466 Ca 0.08 0.06 0.03 0.00 -2.27 0.00 0.00 64.05 61.95 3b3m n THR 466 Cb 0.43 -0.86 0.03 0.00 -2.10 0.00 0.00 70.33 67.84 3b3m n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3b3m n ASP 467 N -1.78 1.66 0.00 3.42 5.75 -1.26 -4.99 116.55 119.35 3b3m n ASP 467 Ca 0.00 -1.36 0.00 0.00 -0.01 0.00 0.00 54.79 53.42 3b3m n ASP 467 Cb 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 3b3m n ASP 467 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3b3m n GLY 468 N 0.31 2.30 1.01 6.12 0.00 -1.26 -4.84 105.19 108.84 3b3m n GLY 468 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 3b3m n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3b3m n LYS 469 N -2.00 2.79 -1.83 1.61 5.02 -1.26 -4.35 118.16 118.14 3b3m n LYS 469 Ca 0.00 -2.37 0.01 0.00 -2.02 0.00 0.00 58.31 53.92 3b3m n LYS 469 Cb 0.00 -1.43 0.06 0.00 -0.02 0.00 0.00 35.03 33.64 3b3m n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3b3m n HIS 470 N 1.11 0.63 -2.41 2.13 8.25 -1.26 -4.31 115.22 119.36 3b3m n HIS 470 Ca 0.18 -1.29 -0.38 0.00 -0.26 0.00 0.00 57.72 55.97 3b3m n HIS 470 Cb 0.53 -0.21 -0.03 0.00 1.12 0.00 0.00 29.99 31.40 3b3m n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3b3m s ASP 471 N -2.87 6.78 -0.04 0.41 1.01 -1.26 -3.32 116.67 117.37 3b3m s ASP 471 Ca 0.34 2.25 -0.15 0.00 0.71 0.00 0.00 52.55 55.69 3b3m s ASP 471 Cb 0.37 -2.61 -0.05 0.00 1.01 0.00 0.00 42.92 41.64 3b3m s ASP 471 CO -0.10 -0.49 0.40 -0.36 0.21 0.00 0.00 175.17 174.83 3b3m s PHE 472 N -1.42 3.66 -0.08 4.23 0.40 -1.26 -1.64 117.98 121.87 3b3m s PHE 472 Ca 0.54 0.92 -0.12 0.00 -0.60 0.00 0.00 56.93 57.67 3b3m s PHE 472 Cb -0.29 -2.33 0.03 0.00 0.51 0.00 0.00 43.02 40.94 3b3m s PHE 472 CO 0.36 0.52 0.30 1.03 0.70 0.00 0.00 175.22 178.13 3b3m s ARG 473 N -0.60 0.46 -0.33 0.44 1.81 0.23 -3.15 118.95 117.81 3b3m s ARG 473 Ca 0.23 0.22 -0.11 0.00 -1.72 0.00 0.00 55.73 54.35 3b3m s ARG 473 Cb -0.16 0.21 -0.01 0.00 -0.45 0.00 0.00 34.95 34.55 3b3m s ARG 473 CO 0.11 -0.09 0.19 0.08 -0.68 0.00 0.00 175.30 174.91 3b3m s VAL 474 N -0.33 4.80 0.41 3.52 1.01 -1.26 -0.68 120.40 127.87 3b3m s VAL 474 Ca -0.05 -0.42 0.12 0.00 0.00 0.00 0.00 61.98 61.64 3b3m s VAL 474 Cb -0.03 -3.48 0.16 0.00 0.00 0.00 0.00 36.38 33.02 3b3m s VAL 474 CO 0.02 0.01 1.93 -0.50 0.00 0.00 0.00 175.10 176.56 3b3m h TRP 475 N 8.40 0.09 -4.20 5.22 4.06 -1.38 -3.42 115.95 124.73 3b3m h TRP 475 Ca -0.31 -0.01 -0.53 0.00 2.06 0.00 0.00 58.89 60.10 3b3m h TRP 475 Cb 1.14 -0.03 0.15 0.00 -1.00 0.00 0.00 29.16 29.43 3b3m h TRP 475 CO 0.64 0.28 0.36 -0.80 -3.56 0.00 0.00 178.44 175.36 3b3m s ASN 476 N -6.95 4.15 0.01 -3.49 -0.87 -1.26 -4.87 114.94 101.65 3b3m s ASN 476 Ca -0.04 2.25 -0.02 0.00 -1.57 0.00 0.00 52.86 53.48 3b3m s ASN 476 Cb 0.15 -2.58 -0.27 0.00 -0.02 0.00 0.00 41.25 38.53 3b3m s ASN 476 CO 0.72 -2.29 0.86 0.77 -2.57 0.00 0.00 177.10 174.59 3b3m h SER 477 N -0.53 0.37 -4.51 -1.22 4.64 -1.90 -3.31 113.55 107.09 3b3m h SER 477 Ca -0.47 -0.51 -0.30 0.00 -0.47 0.00 0.00 61.79 60.04 3b3m h SER 477 Cb 1.28 -0.12 -0.23 0.00 -0.31 0.00 0.00 62.40 63.02 3b3m h SER 477 CO 0.49 1.43 -0.74 -1.10 -0.87 0.00 0.00 176.83 176.03 3b3m s GLN 478 N -2.62 0.54 0.25 4.77 -0.21 -1.26 -0.93 119.66 120.20 3b3m s GLN 478 Ca -0.09 -0.62 -0.05 0.00 0.02 0.00 0.00 55.36 54.63 3b3m s GLN 478 Cb 0.07 -0.38 0.34 0.00 1.00 0.00 0.00 33.01 34.03 3b3m s GLN 478 CO 0.85 0.08 1.87 -0.07 -2.12 0.00 0.00 175.29 175.90 3b3m h LEU 479 N 4.90 0.93 -8.10 2.90 3.38 -1.02 -3.38 115.31 114.92 3b3m h LEU 479 Ca -0.34 0.01 -0.67 0.00 0.09 0.00 0.00 57.88 56.97 3b3m h LEU 479 Cb 1.20 -0.19 -0.34 0.00 0.09 0.00 0.00 40.66 41.42 3b3m h LEU 479 CO 0.43 0.61 -0.81 -0.63 0.09 0.00 0.00 178.44 178.12 3b3m s ILE 480 N -6.06 2.39 0.05 1.22 1.01 -1.26 -4.87 121.20 113.68 3b3m s ILE 480 Ca -0.13 -0.98 -0.18 0.00 0.00 0.00 0.00 60.65 59.37 3b3m s ILE 480 Cb 0.19 -2.11 0.04 0.00 0.01 0.00 0.00 42.46 40.59 3b3m s ILE 480 CO 0.80 0.40 0.41 -0.13 0.00 0.00 0.00 174.94 176.41 3b3m s ARG 481 N 1.30 0.92 0.09 2.79 0.52 -1.26 -4.86 118.95 118.45 3b3m s ARG 481 Ca 0.03 -0.38 -0.15 0.00 -0.52 0.00 0.00 55.73 54.71 3b3m s ARG 481 Cb -0.15 0.41 -0.06 0.00 0.52 0.00 0.00 34.95 35.67 3b3m s ARG 481 CO -0.09 -0.32 0.50 0.71 0.02 0.00 0.00 175.30 176.12 3b3m s TYR 482 N -2.53 3.67 0.81 -0.53 4.12 -1.26 -0.47 117.35 121.16 3b3m s TYR 482 Ca -0.05 1.04 -0.11 0.00 0.02 0.00 0.00 57.07 57.97 3b3m s TYR 482 Cb -0.01 -2.34 0.08 0.00 -1.52 0.00 0.00 41.96 38.17 3b3m s TYR 482 CO -0.03 0.52 1.09 0.00 0.02 0.00 0.00 175.55 177.15 3b3m s ALA 483 N -1.31 2.03 -0.02 3.71 0.00 -0.05 -4.36 121.76 121.77 3b3m s ALA 483 Ca 0.32 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.41 3b3m s ALA 483 Cb -0.16 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.74 3b3m s ALA 483 CO 0.18 -1.94 -0.03 0.20 0.00 0.00 0.00 175.76 174.17 3b3m s GLY 484 N -3.45 0.27 -0.01 0.00 0.00 -1.24 -1.16 107.32 101.73 3b3m s GLY 484 Ca 0.62 -0.05 0.02 0.00 0.00 0.00 0.00 44.72 45.31 3b3m s GLY 484 CO 0.56 0.20 -0.07 -0.19 0.00 0.00 0.00 173.10 173.61 3b3m s TYR 485 N 0.46 0.67 -0.30 1.90 1.51 0.21 -4.12 117.35 117.68 3b3m s TYR 485 Ca -0.05 -0.14 -0.25 0.00 -1.01 0.00 0.00 57.07 55.62 3b3m s TYR 485 Cb -0.08 -0.48 0.00 0.00 -0.11 0.00 0.00 41.96 41.30 3b3m s TYR 485 CO -0.01 -0.05 0.87 0.15 -1.11 0.00 0.00 175.55 175.40 3b3m s LYS 486 N 0.09 4.02 0.59 -0.62 1.02 -1.26 0.74 119.74 124.32 3b3m s LYS 486 Ca -0.01 0.76 -0.05 0.00 0.02 0.00 0.00 55.97 56.69 3b3m s LYS 486 Cb -0.06 -3.72 0.01 0.00 -0.52 0.00 0.00 37.83 33.54 3b3m s LYS 486 CO -0.00 -0.72 0.89 -0.65 -0.92 0.00 0.00 175.35 173.96 3b3m s GLN 487 N 3.12 2.88 0.32 1.68 -0.21 -0.14 -4.95 119.66 122.35 3b3m s GLN 487 Ca 0.36 -0.06 0.02 0.00 0.02 0.00 0.00 55.36 55.70 3b3m s GLN 487 Cb -0.14 -2.29 0.58 0.00 1.00 0.00 0.00 33.01 32.16 3b3m s GLN 487 CO 0.12 -0.71 1.93 -1.35 -2.12 0.00 0.00 175.29 173.17 3b3m h PRO 488 N -0.16 0.94 0.00 2.91 0.11 -1.96 0.66 132.00 134.49 3b3m h PRO 488 Ca -0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3b3m h PRO 488 Cb 1.26 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3b3m h PRO 488 CO 0.60 0.62 0.25 -3.47 -0.21 0.00 0.00 178.00 175.79 3b3m n ASP 489 N -4.47 0.14 0.00 -2.05 4.64 -1.26 -4.68 116.55 108.87 3b3m n ASP 489 Ca 0.12 0.40 0.00 0.00 -1.38 0.00 0.00 54.79 53.93 3b3m n ASP 489 Cb 0.18 -0.38 0.00 0.00 -1.04 0.00 0.00 41.12 39.88 3b3m n ASP 489 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 3b3m n GLY 490 N -1.29 2.76 3.81 0.27 0.00 0.22 -5.01 105.19 105.96 3b3m n GLY 490 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3b3m n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3b3m s SER 491 N -1.72 2.87 -0.08 1.61 1.04 -1.25 -4.77 113.70 111.40 3b3m s SER 491 Ca 0.00 0.61 0.04 0.00 0.48 0.00 0.00 55.95 57.08 3b3m s SER 491 Cb 0.00 -0.90 -0.01 0.00 0.10 0.00 0.00 66.02 65.21 3b3m s SER 491 CO 0.00 -2.91 -0.22 -0.89 0.98 0.00 0.00 173.24 170.19 3b3m s THR 492 N -3.48 2.25 -0.19 2.02 2.01 -1.26 -0.97 115.64 116.03 3b3m s THR 492 Ca 0.69 -0.98 -0.09 0.00 0.31 0.00 0.00 61.69 61.63 3b3m s THR 492 Cb -0.09 -1.85 -0.05 0.00 0.01 0.00 0.00 72.50 70.52 3b3m s THR 492 CO 0.53 0.56 0.10 -0.22 -0.69 0.00 0.00 174.62 174.91 3b3m s LEU 493 N 0.05 4.06 0.00 4.42 2.96 0.23 -4.93 118.68 125.46 3b3m s LEU 493 Ca -0.09 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 3b3m s LEU 493 Cb -0.15 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.50 3b3m s LEU 493 CO 0.06 0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.89 3b3m n GLY 494 N 3.40 -0.28 3.55 7.98 0.00 -1.26 0.68 105.19 119.27 3b3m n GLY 494 Ca -0.17 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 3b3m n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3b3m s ASP 495 N -4.00 6.44 0.48 1.61 -1.08 -0.31 -4.80 116.67 115.02 3b3m s ASP 495 Ca 0.00 -0.02 0.18 0.00 -0.52 0.00 0.00 52.55 52.20 3b3m s ASP 495 Cb 0.00 -2.40 1.19 0.00 -1.46 0.00 0.00 42.92 40.25 3b3m s ASP 495 CO 0.00 -0.95 2.00 -0.65 0.52 0.00 0.00 175.17 176.09 3b3m h PRO 496 N 8.98 0.21 -0.08 4.34 0.11 -1.80 -1.55 132.00 142.21 3b3m h PRO 496 Ca -0.24 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.88 3b3m h PRO 496 Cb 1.08 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3b3m h PRO 496 CO 0.98 0.14 0.07 0.00 -0.21 0.00 0.00 178.00 178.98 3b3m h ALA 497 N 1.74 1.79 -0.44 -0.75 0.00 -1.92 -2.88 119.26 116.80 3b3m h ALA 497 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3b3m h ALA 497 Cb 0.69 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.48 3b3m h ALA 497 CO -0.05 -0.12 0.00 0.09 0.00 0.00 0.00 179.25 179.18 3b3m n ASN 498 N -4.06 4.09 0.09 0.00 3.02 -0.58 -4.69 115.26 113.13 3b3m n ASN 498 Ca -0.01 -2.56 -0.12 0.00 -0.03 0.00 0.00 54.58 51.86 3b3m n ASN 498 Cb 0.18 -0.49 -0.05 0.00 -0.61 0.00 0.00 39.78 38.81 3b3m n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3b3m h VAL 499 N 2.81 0.53 -0.39 2.41 2.07 -1.59 0.07 116.25 122.17 3b3m h VAL 499 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 3b3m h VAL 499 Cb 1.31 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 3b3m h VAL 499 CO 0.19 0.00 0.10 -0.61 0.02 0.00 0.00 177.57 177.27 3b3m h GLN 500 N -0.36 0.23 -0.30 1.57 4.15 -1.85 -1.88 115.11 116.68 3b3m h GLN 500 Ca 0.04 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 3b3m h GLN 500 Cb 0.40 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 3b3m h GLN 500 CO -0.14 0.15 0.16 0.35 -1.93 0.00 0.00 178.83 177.42 3b3m h PHE 501 N 0.24 0.41 -0.82 3.99 3.57 -1.83 -2.41 116.94 120.09 3b3m h PHE 501 Ca 0.18 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.78 3b3m h PHE 501 Cb 0.20 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 38.75 3b3m h PHE 501 CO -0.18 0.34 0.53 1.15 -2.23 0.00 0.00 178.31 177.93 3b3m h THR 502 N 0.36 0.93 0.00 4.41 2.02 -0.62 -0.35 112.91 119.67 3b3m h THR 502 Ca 0.10 -0.25 -0.14 0.00 0.77 0.00 0.00 66.41 66.89 3b3m h THR 502 Cb 0.07 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.59 3b3m h THR 502 CO -0.02 0.13 -0.69 -0.33 0.37 0.00 0.00 175.52 174.99 3b3m h GLU 503 N 0.74 0.00 -0.04 6.66 3.07 -1.06 -1.11 114.58 122.83 3b3m h GLU 503 Ca 0.38 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.12 3b3m h GLU 503 Cb 0.49 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 3b3m h GLU 503 CO -0.15 0.69 -0.55 0.82 -1.40 0.00 0.00 179.01 178.41 3b3m h ILE 504 N 0.00 1.38 -0.14 3.13 2.04 -0.62 0.36 117.51 123.66 3b3m h ILE 504 Ca -0.01 -1.87 -0.11 0.00 1.00 0.00 0.00 64.86 63.88 3b3m h ILE 504 Cb 1.24 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.29 3b3m h ILE 504 CO 0.09 0.54 -0.33 0.00 0.00 0.00 0.00 178.15 178.45 3b3m h ILE 506 N 0.08 1.15 -0.25 0.00 2.04 -1.02 0.28 117.51 119.79 3b3m h ILE 506 Ca -0.00 -0.43 0.07 0.00 1.00 0.00 0.00 64.86 65.50 3b3m h ILE 506 Cb 0.94 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 3b3m h ILE 506 CO 0.07 0.15 0.31 -0.61 0.00 0.00 0.00 178.15 178.08 3b3m h GLN 507 N 0.32 0.00 0.00 2.37 4.15 -0.21 0.13 115.11 121.88 3b3m h GLN 507 Ca 0.10 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.52 3b3m h GLN 507 Cb 0.12 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.81 3b3m h GLN 507 CO -0.01 0.00 -1.05 1.04 -1.93 0.00 0.00 178.83 176.88 3b3m n GLN 508 N -3.65 0.48 0.00 1.69 1.13 -0.10 -4.98 117.38 111.96 3b3m n GLN 508 Ca 0.03 0.05 0.00 0.00 -1.94 0.00 0.00 57.00 55.15 3b3m n GLN 508 Cb 0.45 -1.72 0.00 0.00 0.11 0.00 0.00 30.24 29.08 3b3m n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3b3m n GLY 509 N 1.26 1.39 3.55 1.08 0.00 0.47 -5.00 105.19 107.94 3b3m n GLY 509 Ca 0.01 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.55 3b3m n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3b3m n TRP 510 N 0.00 0.94 -3.25 1.61 -0.00 -0.55 -4.88 117.44 111.31 3b3m n TRP 510 Ca 0.00 0.75 -0.46 0.00 -0.00 0.00 0.00 57.50 57.79 3b3m n TRP 510 Cb 0.00 -2.20 -0.02 0.00 -0.00 0.00 0.00 31.31 29.09 3b3m n TRP 510 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 3b3m s LYS 511 N -1.00 3.76 0.09 5.87 1.02 -1.26 -4.49 119.74 123.74 3b3m s LYS 511 Ca 0.66 -2.54 -0.31 0.00 0.02 0.00 0.00 55.97 53.80 3b3m s LYS 511 Cb -0.81 -4.56 -0.09 0.00 -0.52 0.00 0.00 37.83 31.84 3b3m s LYS 511 CO 0.56 -1.37 1.74 0.00 -0.92 0.00 0.00 175.35 175.36 3b3m s ALA 512 N 0.27 3.72 -0.15 5.17 0.00 -1.26 -4.87 121.76 124.64 3b3m s ALA 512 Ca 0.24 1.32 0.30 0.00 0.00 0.00 0.00 51.96 53.82 3b3m s ALA 512 Cb -0.09 -3.73 1.18 0.00 0.00 0.00 0.00 23.12 20.48 3b3m s ALA 512 CO -0.08 -1.17 1.87 -1.35 0.00 0.00 0.00 175.76 175.02 3b3m h PRO 513 N 8.49 0.00 -5.48 0.00 0.11 -1.99 -3.47 132.00 129.67 3b3m h PRO 513 Ca -0.44 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.38 3b3m h PRO 513 Cb 1.21 0.00 0.18 0.00 0.11 0.00 0.00 31.00 32.50 3b3m h PRO 513 CO 0.94 0.00 -0.78 0.54 -0.21 0.00 0.00 178.00 178.49 3b3m n ARG 514 N -2.77 -4.78 -4.00 1.05 1.74 -1.26 -5.04 116.66 101.61 3b3m n ARG 514 Ca 0.01 0.83 -0.27 0.00 -0.77 0.00 0.00 57.85 57.66 3b3m n ARG 514 Cb 0.29 -5.75 -0.01 0.00 -1.02 0.00 0.00 32.46 25.97 3b3m n ARG 514 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3b3m s GLY 515 N -3.95 2.46 0.30 -0.13 0.00 -1.26 -5.03 107.32 99.70 3b3m s GLY 515 Ca 0.17 -1.12 0.19 0.00 0.00 0.00 0.00 44.72 43.96 3b3m s GLY 515 CO 0.71 -1.98 1.38 -0.09 0.00 0.00 0.00 173.10 173.12 3b3m h ARG 516 N 0.81 0.00 -2.08 2.90 2.43 -1.92 -3.39 114.38 113.14 3b3m h ARG 516 Ca -0.38 0.00 -0.52 0.00 -0.81 0.00 0.00 59.98 58.27 3b3m h ARG 516 Cb 1.31 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.45 3b3m h ARG 516 CO 0.59 0.22 -1.03 1.19 -1.51 0.00 0.00 179.97 179.43 3b3m n PHE 517 N -3.06 1.18 -3.02 2.20 3.01 -1.26 -4.13 117.46 112.38 3b3m n PHE 517 Ca 0.01 -3.84 -0.42 0.00 1.01 0.00 0.00 57.45 54.21 3b3m n PHE 517 Cb 0.64 -0.43 -0.06 0.00 -0.01 0.00 0.00 39.48 39.62 3b3m n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3b3m s ASP 518 N -2.49 6.50 -0.02 4.37 1.01 -1.26 -4.92 116.67 119.86 3b3m s ASP 518 Ca 0.41 0.26 -0.30 0.00 0.71 0.00 0.00 52.55 53.64 3b3m s ASP 518 Cb 0.30 -2.37 -0.08 0.00 1.01 0.00 0.00 42.92 41.78 3b3m s ASP 518 CO -0.09 -0.68 1.97 -0.69 0.21 0.00 0.00 175.17 175.88 3b3m s VAL 519 N 2.95 3.09 0.62 -1.27 1.01 -1.26 -0.87 120.40 124.66 3b3m s VAL 519 Ca 0.28 0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.19 3b3m s VAL 519 Cb -0.14 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.15 3b3m s VAL 519 CO 0.16 -0.02 1.19 -0.76 0.00 0.00 0.00 175.10 175.68 3b3m s LEU 520 N 5.05 3.59 0.52 3.92 1.43 0.39 -4.89 118.68 128.68 3b3m s LEU 520 Ca 0.88 2.33 -0.08 0.00 -1.03 0.00 0.00 54.13 56.24 3b3m s LEU 520 Cb -0.40 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.19 3b3m s LEU 520 CO 0.39 -1.68 0.88 -2.16 0.23 0.00 0.00 176.35 174.01 3b3m s PRO 521 N -3.50 3.60 0.28 1.29 0.04 -1.26 -4.77 135.00 130.67 3b3m s PRO 521 Ca 0.76 0.44 -0.24 0.00 0.04 0.00 0.00 61.00 62.00 3b3m s PRO 521 Cb -0.29 -2.27 -0.09 0.00 0.04 0.00 0.00 34.50 31.89 3b3m s PRO 521 CO 0.35 -0.32 0.86 -0.51 0.04 0.00 0.00 177.00 177.43 3b3m s LEU 522 N -4.78 4.37 -0.44 -3.56 1.43 0.90 -4.87 118.68 111.74 3b3m s LEU 522 Ca 0.51 1.69 0.04 0.00 -1.03 0.00 0.00 54.13 55.34 3b3m s LEU 522 Cb -0.11 -3.81 0.12 0.00 0.03 0.00 0.00 46.19 42.43 3b3m s LEU 522 CO 0.46 -0.00 0.17 -0.76 0.23 0.00 0.00 176.35 176.45 3b3m s LEU 523 N -1.92 4.38 -0.15 1.79 1.43 -1.25 -1.76 118.68 121.19 3b3m s LEU 523 Ca 0.46 -2.63 -0.10 0.00 -1.03 0.00 0.00 54.13 50.83 3b3m s LEU 523 Cb -0.19 -1.59 -0.05 0.00 0.03 0.00 0.00 46.19 44.39 3b3m s LEU 523 CO 0.23 -0.30 0.19 -0.76 0.23 0.00 0.00 176.35 175.95 3b3m s LEU 524 N 0.25 4.29 -0.22 1.79 1.43 0.00 -0.97 118.68 125.25 3b3m s LEU 524 Ca 0.14 0.41 -0.01 0.00 -1.03 0.00 0.00 54.13 53.65 3b3m s LEU 524 Cb -0.23 -2.18 0.02 0.00 0.03 0.00 0.00 46.19 43.83 3b3m s LEU 524 CO -0.04 0.25 -0.10 -1.58 0.23 0.00 0.00 176.35 175.11 3b3m s GLN 525 N -0.15 3.01 -0.08 1.70 0.74 0.15 -0.14 119.66 124.89 3b3m s GLN 525 Ca 0.13 -0.85 0.03 0.00 0.05 0.00 0.00 55.36 54.72 3b3m s GLN 525 Cb -0.12 -2.86 -0.02 0.00 1.10 0.00 0.00 33.01 31.11 3b3m s GLN 525 CO 0.02 -0.29 -0.17 0.00 -0.55 0.00 0.00 175.29 174.30 3b3m s ALA 526 N 1.35 2.53 -1.01 1.58 0.00 -1.26 -0.61 121.76 124.33 3b3m s ALA 526 Ca 0.03 -0.97 -0.03 0.00 0.00 0.00 0.00 51.96 50.99 3b3m s ALA 526 Cb -0.15 -0.96 0.02 0.00 0.00 0.00 0.00 23.12 22.03 3b3m s ALA 526 CO -0.07 0.43 0.14 -1.71 0.00 0.00 0.00 175.76 174.55 3b3m n ASN 527 N 2.83 -3.57 0.00 0.00 4.05 -1.25 -0.82 115.26 116.50 3b3m n ASN 527 Ca -0.17 0.06 0.00 0.00 0.45 0.00 0.00 54.58 54.92 3b3m n ASN 527 Cb 0.52 -3.02 0.00 0.00 1.23 0.00 0.00 39.78 38.51 3b3m n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3b3m n GLY 528 N -0.88 0.60 3.89 8.20 0.00 -0.65 -4.35 105.19 112.00 3b3m n GLY 528 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 3b3m n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3b3m s ASN 529 N -2.24 3.14 0.39 1.61 0.01 0.00 -4.83 114.94 113.02 3b3m s ASN 529 Ca 0.00 0.41 -0.26 0.00 -0.71 0.00 0.00 52.86 52.30 3b3m s ASN 529 Cb 0.00 -0.57 -0.09 0.00 0.41 0.00 0.00 41.25 41.00 3b3m s ASN 529 CO 0.00 -2.73 1.20 -1.81 -1.51 0.00 0.00 177.10 172.26 3b3m s ASP 530 N -4.71 6.53 0.87 -1.22 -0.00 -1.26 -4.41 116.67 112.47 3b3m s ASP 530 Ca 0.71 2.43 -0.10 0.00 -0.00 0.00 0.00 52.55 55.60 3b3m s ASP 530 Cb -0.06 -2.62 0.12 0.00 -0.00 0.00 0.00 42.92 40.35 3b3m s ASP 530 CO 0.53 -0.67 1.13 -2.16 -0.00 0.00 0.00 175.17 173.99 3b3m s PRO 531 N -2.20 1.43 0.06 8.23 0.04 -1.26 -4.71 135.00 136.59 3b3m s PRO 531 Ca 0.56 1.41 0.05 0.00 0.04 0.00 0.00 61.00 63.05 3b3m s PRO 531 Cb -0.33 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 3b3m s PRO 531 CO 0.42 -2.30 -0.14 -1.21 0.04 0.00 0.00 177.00 173.81 3b3m s GLU 532 N -4.74 0.84 0.29 4.56 2.02 0.80 -4.85 118.70 117.62 3b3m s GLU 532 Ca 0.65 -0.85 -0.13 0.00 0.02 0.00 0.00 54.97 54.66 3b3m s GLU 532 Cb -0.21 -0.84 -0.08 0.00 0.10 0.00 0.00 34.13 33.10 3b3m s GLU 532 CO 0.57 0.19 0.67 -0.51 0.02 0.00 0.00 175.26 176.21 3b3m s LEU 533 N -1.46 4.09 -0.21 1.80 1.43 -1.25 -0.82 118.68 122.27 3b3m s LEU 533 Ca -0.01 1.14 -0.18 0.00 -1.03 0.00 0.00 54.13 54.05 3b3m s LEU 533 Cb -0.09 -3.93 0.06 0.00 0.03 0.00 0.00 46.19 42.25 3b3m s LEU 533 CO 0.02 -0.16 0.55 -0.36 0.23 0.00 0.00 176.35 176.63 3b3m s PHE 534 N -1.94 -0.63 -0.26 0.29 0.40 -0.72 -4.96 117.98 110.16 3b3m s PHE 534 Ca 0.52 1.51 -0.11 0.00 -0.60 0.00 0.00 56.93 58.24 3b3m s PHE 534 Cb -0.11 0.24 -0.05 0.00 0.51 0.00 0.00 43.02 43.61 3b3m s PHE 534 CO 0.19 -0.31 0.18 -1.14 0.70 0.00 0.00 175.22 174.85 3b3m s GLN 535 N 0.44 4.02 0.22 0.44 2.00 -1.26 -0.07 119.66 125.45 3b3m s GLN 535 Ca -0.01 -0.27 -0.31 0.00 -2.00 0.00 0.00 55.36 52.76 3b3m s GLN 535 Cb -0.04 -3.60 -0.11 0.00 0.80 0.00 0.00 33.01 30.06 3b3m s GLN 535 CO -0.01 -0.06 1.66 0.42 -0.50 0.00 0.00 175.29 176.80 3b3m s ILE 536 N 1.40 2.16 -0.31 -2.34 1.01 -1.26 -4.78 121.20 117.07 3b3m s ILE 536 Ca 0.08 0.12 -0.41 0.00 0.00 0.00 0.00 60.65 60.44 3b3m s ILE 536 Cb -0.15 -3.08 -0.16 0.00 0.01 0.00 0.00 42.46 39.09 3b3m s ILE 536 CO 0.08 0.01 1.74 -2.65 0.00 0.00 0.00 174.94 174.11 3b3m n PRO 537 N 3.50 1.03 -0.34 2.79 -0.02 -1.26 -4.74 135.00 135.96 3b3m n PRO 537 Ca 0.13 0.38 0.23 0.00 -2.02 0.00 0.00 63.50 62.22 3b3m n PRO 537 Cb 0.36 -2.04 0.47 0.00 -0.02 0.00 0.00 33.50 32.27 3b3m n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3b3m h PRO 538 N 7.01 0.34 0.00 0.52 0.11 -1.95 0.57 132.00 138.60 3b3m h PRO 538 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3b3m h PRO 538 Cb 1.32 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3b3m h PRO 538 CO 0.97 0.22 0.00 -0.85 -0.21 0.00 0.00 178.00 178.13 3b3m n GLU 539 N -5.03 0.22 -0.00 1.05 0.00 -1.26 -2.22 120.64 113.39 3b3m n GLU 539 Ca 0.31 0.13 0.11 0.00 0.00 0.00 0.00 57.16 57.71 3b3m n GLU 539 Cb 0.97 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.79 3b3m n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 3b3m n LEU 540 N -1.31 0.60 -4.39 -1.84 4.77 0.20 -4.77 117.00 110.26 3b3m n LEU 540 Ca 0.08 -0.27 -0.45 0.00 -0.03 0.00 0.00 56.01 55.34 3b3m n LEU 540 Cb 0.14 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.18 3b3m n LEU 540 CO 0.13 0.14 0.55 -0.69 -1.33 0.00 0.00 177.39 176.18 3b3m s VAL 541 N -3.21 4.81 -0.13 4.08 1.01 -0.94 -4.75 120.40 121.27 3b3m s VAL 541 Ca 0.02 -1.13 -0.29 0.00 0.00 0.00 0.00 61.98 60.57 3b3m s VAL 541 Cb 0.15 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.95 3b3m s VAL 541 CO 0.88 -1.22 1.21 -0.22 0.00 0.00 0.00 175.10 175.74 3b3m s LEU 542 N 2.65 4.21 0.25 3.92 2.96 -1.26 -5.01 118.68 126.40 3b3m s LEU 542 Ca 0.17 1.69 0.11 0.00 -0.22 0.00 0.00 54.13 55.89 3b3m s LEU 542 Cb -0.19 -3.55 -0.05 0.00 0.50 0.00 0.00 46.19 42.91 3b3m s LEU 542 CO 0.03 -0.68 -0.18 -1.61 -1.32 0.00 0.00 176.35 172.59 3b3m s GLU 543 N 2.99 1.73 -0.15 1.98 2.02 -1.26 -0.98 118.70 125.03 3b3m s GLU 543 Ca 0.54 -1.65 -0.00 0.00 0.02 0.00 0.00 54.97 53.88 3b3m s GLU 543 Cb -0.22 -1.85 0.03 0.00 0.10 0.00 0.00 34.13 32.19 3b3m s GLU 543 CO 0.16 0.36 -0.10 0.08 0.02 0.00 0.00 175.26 175.78 3b3m s VAL 544 N -2.25 1.29 0.15 2.63 1.01 0.20 -4.87 120.40 118.56 3b3m s VAL 544 Ca 0.28 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.40 3b3m s VAL 544 Cb -0.06 -1.31 -0.07 0.00 0.00 0.00 0.00 36.38 34.93 3b3m s VAL 544 CO 0.14 0.33 1.22 -2.16 0.00 0.00 0.00 175.10 174.63 3b3m s PRO 545 N 1.58 4.46 -0.26 2.72 0.04 -1.26 -1.46 135.00 140.82 3b3m s PRO 545 Ca 0.03 1.87 -0.15 0.00 0.04 0.00 0.00 61.00 62.80 3b3m s PRO 545 Cb -0.14 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 3b3m s PRO 545 CO -0.09 -0.17 0.38 0.42 0.04 0.00 0.00 177.00 177.58 3b3m s ILE 546 N 0.34 5.17 0.18 0.56 -1.09 0.22 -4.83 121.20 121.76 3b3m s ILE 546 Ca 0.56 0.60 0.05 0.00 -2.23 0.00 0.00 60.65 59.63 3b3m s ILE 546 Cb -0.32 -3.71 -0.05 0.00 -1.58 0.00 0.00 42.46 36.80 3b3m s ILE 546 CO 0.34 0.17 -0.09 0.00 -1.23 0.00 0.00 174.94 174.13 3b3m s ARG 547 N 1.96 1.20 -0.02 2.79 3.03 -1.26 -4.15 118.95 122.50 3b3m s ARG 547 Ca 0.16 -1.54 0.00 0.00 2.03 0.00 0.00 55.73 56.37 3b3m s ARG 547 Cb -0.16 -0.77 -0.04 0.00 -1.03 0.00 0.00 34.95 32.96 3b3m s ARG 547 CO 0.09 0.07 0.03 -1.58 -1.13 0.00 0.00 175.30 172.78 3b3m s HIS 548 N -3.24 3.16 -1.19 5.89 2.46 -1.26 -4.21 115.29 116.90 3b3m s HIS 548 Ca 0.21 0.15 0.12 0.00 0.47 0.00 0.00 55.06 56.01 3b3m s HIS 548 Cb 0.02 -1.72 0.56 0.00 -0.13 0.00 0.00 32.58 31.32 3b3m s HIS 548 CO 0.04 0.49 1.35 -0.35 -2.47 0.00 0.00 174.74 173.81 3b3m n PRO 549 N 1.53 0.08 0.00 2.88 -0.04 -1.26 -3.95 135.00 134.23 3b3m n PRO 549 Ca -0.15 0.24 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 3b3m n PRO 549 Cb 0.53 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 3b3m n PRO 549 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3b3m n LYS 550 N -1.40 0.00 -2.82 0.54 5.02 -1.26 -4.99 118.16 113.25 3b3m n LYS 550 Ca 0.04 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.90 3b3m n LYS 550 Cb 0.12 -0.69 -0.03 0.00 -0.02 0.00 0.00 35.03 34.41 3b3m n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3b3m s PHE 551 N -1.55 2.71 0.56 2.13 2.99 -1.25 -4.87 117.98 118.70 3b3m s PHE 551 Ca 0.00 -0.70 0.24 0.00 0.00 0.00 0.00 56.93 56.47 3b3m s PHE 551 Cb 0.00 -4.36 1.59 0.00 0.00 0.00 0.00 43.02 40.25 3b3m s PHE 551 CO 0.00 -1.69 2.20 -0.44 -0.00 0.00 0.00 175.22 175.30 3b3m h ASP 552 N 9.48 0.00 0.99 1.36 3.32 -1.94 -0.65 116.42 128.97 3b3m h ASP 552 Ca -0.15 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.90 3b3m h ASP 552 Cb 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3b3m h ASP 552 CO 1.20 0.00 0.00 4.11 -1.72 0.00 0.00 179.24 182.83 3b3m h TRP 553 N 0.00 0.00 -0.56 4.55 5.08 -1.95 -3.26 115.95 119.81 3b3m h TRP 553 Ca 0.01 0.00 0.06 0.00 1.08 0.00 0.00 58.89 60.04 3b3m h TRP 553 Cb 0.05 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.15 3b3m h TRP 553 CO 0.00 0.00 0.26 0.35 -1.28 0.00 0.00 178.44 177.77 3b3m h PHE 554 N 0.00 0.46 -0.44 0.12 3.57 -1.48 0.02 116.94 119.19 3b3m h PHE 554 Ca 0.00 0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.65 3b3m h PHE 554 Cb 0.49 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.09 3b3m h PHE 554 CO 0.00 0.19 0.34 1.57 -2.23 0.00 0.00 178.31 178.19 3b3m h LYS 555 N 0.48 0.00 0.00 1.11 2.10 -1.72 0.21 116.57 118.76 3b3m h LYS 555 Ca 0.26 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.91 3b3m h LYS 555 Cb 0.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 3b3m h LYS 555 CO -0.21 0.00 0.00 -0.44 -2.00 0.00 0.00 179.45 176.80 3b3m h ASP 556 N 0.00 0.00 0.62 7.07 3.32 -1.18 -1.80 116.42 124.45 3b3m h ASP 556 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 3b3m h ASP 556 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 3b3m h ASP 556 CO -0.00 0.00 0.00 -0.07 -1.72 0.00 0.00 179.24 177.45 3b3m h LEU 557 N 0.00 0.00 0.63 1.55 3.38 -1.00 -3.46 115.31 116.41 3b3m h LEU 557 Ca 0.00 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.73 3b3m h LEU 557 Cb 0.31 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.09 3b3m h LEU 557 CO 0.00 0.00 -0.35 0.61 0.09 0.00 0.00 178.44 178.79 3b3m n GLY 558 N -0.39 -0.04 3.86 0.83 0.00 -0.68 -5.01 105.19 103.76 3b3m n GLY 558 Ca -0.01 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 3b3m n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b3m s LEU 559 N -4.00 4.40 0.11 0.99 1.43 -1.26 -5.01 118.68 115.34 3b3m s LEU 559 Ca 0.14 0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 53.82 3b3m s LEU 559 Cb -0.06 -2.68 0.04 0.00 0.03 0.00 0.00 46.19 43.51 3b3m s LEU 559 CO 0.18 0.26 0.43 -1.59 0.23 0.00 0.00 176.35 175.86 3b3m s LYS 560 N -1.53 1.06 0.08 1.70 -2.85 -1.26 0.71 119.74 117.66 3b3m s LYS 560 Ca 0.27 -0.61 -0.05 0.00 -1.00 0.00 0.00 55.97 54.58 3b3m s LYS 560 Cb -0.14 0.47 -0.02 0.00 -2.06 0.00 0.00 37.83 36.08 3b3m s LYS 560 CO 0.15 -0.41 0.10 -0.46 0.10 0.00 0.00 175.35 174.82 3b3m s TRP 561 N -3.54 0.36 0.33 1.78 -0.11 -0.53 -4.92 118.94 112.31 3b3m s TRP 561 Ca 0.01 -0.83 -0.14 0.00 1.22 0.00 0.00 56.10 56.36 3b3m s TRP 561 Cb 0.01 -0.22 -0.09 0.00 -1.50 0.00 0.00 33.47 31.68 3b3m s TRP 561 CO -0.10 -0.49 0.74 1.52 -4.62 0.00 0.00 176.95 173.99 3b3m s TYR 562 N -3.91 3.39 -0.51 5.86 -0.85 -1.26 0.61 117.35 120.68 3b3m s TYR 562 Ca 0.08 1.19 0.24 0.00 -0.52 0.00 0.00 57.07 58.05 3b3m s TYR 562 Cb 0.06 -2.52 0.36 0.00 0.38 0.00 0.00 41.96 40.25 3b3m s TYR 562 CO -0.09 0.07 1.44 0.78 -1.52 0.00 0.00 175.55 176.23 3b3m h GLY 563 N 2.12 0.00 -7.50 5.49 0.00 -1.40 -3.45 103.07 98.33 3b3m h GLY 563 Ca -0.48 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.14 3b3m h GLY 563 CO 0.65 0.00 -0.47 -2.27 0.00 0.00 0.00 176.54 174.46 3b3m s LEU 564 N -5.13 5.01 -0.33 3.11 2.96 -1.26 -4.52 118.68 118.51 3b3m s LEU 564 Ca 0.06 -1.17 -0.27 0.00 -0.22 0.00 0.00 54.13 52.53 3b3m s LEU 564 Cb 0.10 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.75 3b3m s LEU 564 CO 0.70 -0.47 0.98 -2.16 -1.32 0.00 0.00 176.35 174.07 3b3m s PRO 565 N 1.55 3.99 -0.33 0.98 0.04 -1.26 -4.70 135.00 135.26 3b3m s PRO 565 Ca 0.03 0.85 -0.01 0.00 0.04 0.00 0.00 61.00 61.90 3b3m s PRO 565 Cb -0.21 -3.75 0.12 0.00 0.04 0.00 0.00 34.50 30.70 3b3m s PRO 565 CO 0.06 -0.87 0.17 0.00 0.04 0.00 0.00 177.00 176.40 3b3m s ALA 566 N 3.47 0.99 0.02 8.56 0.00 -1.26 -2.80 121.76 130.73 3b3m s ALA 566 Ca 0.41 -1.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.43 3b3m s ALA 566 Cb -0.12 -1.56 -0.07 0.00 0.00 0.00 0.00 23.12 21.37 3b3m s ALA 566 CO 0.16 -1.90 1.56 0.08 0.00 0.00 0.00 175.76 175.65 3b3m s VAL 567 N 1.42 3.41 0.00 0.00 1.01 -0.21 -0.35 120.40 125.67 3b3m s VAL 567 Ca 0.14 0.76 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3b3m s VAL 567 Cb -0.20 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.69 3b3m s VAL 567 CO -0.15 -0.02 0.50 -1.54 0.00 0.00 0.00 175.10 173.89 3b3m n SER 568 N 5.85 0.95 -0.99 3.32 3.41 -0.11 -1.43 113.62 124.63 3b3m n SER 568 Ca 0.15 -1.16 0.09 0.00 -0.26 0.00 0.00 58.87 57.70 3b3m n SER 568 Cb 0.42 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.58 3b3m n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3b3m n ASN 569 N -0.08 3.31 -4.95 4.04 2.04 -1.17 -4.36 115.26 114.09 3b3m n ASN 569 Ca 0.00 -1.95 -0.23 0.00 -0.44 0.00 0.00 54.58 51.96 3b3m n ASN 569 Cb 0.10 -0.30 0.01 0.00 -2.53 0.00 0.00 39.78 37.07 3b3m n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 3b3m s MET 570 N -1.13 3.03 -0.17 -3.83 -1.94 -1.26 -4.35 119.30 109.66 3b3m s MET 570 Ca 0.35 -0.48 -0.02 0.00 -1.71 0.00 0.00 55.69 53.83 3b3m s MET 570 Cb 0.19 -2.54 -0.02 0.00 2.01 0.00 0.00 34.83 34.48 3b3m s MET 570 CO 0.26 -0.32 -0.08 -1.17 -0.01 0.00 0.00 175.02 173.70 3b3m s LEU 571 N -4.59 2.90 -0.32 -0.03 0.20 0.97 -4.31 118.68 113.50 3b3m s LEU 571 Ca 0.49 -0.30 -0.16 0.00 0.69 0.00 0.00 54.13 54.85 3b3m s LEU 571 Cb -0.10 -1.69 -0.02 0.00 -0.43 0.00 0.00 46.19 43.95 3b3m s LEU 571 CO 0.38 0.10 0.42 -0.22 -0.29 0.00 0.00 176.35 176.75 3b3m s LEU 572 N 0.74 4.29 -0.23 -0.68 2.96 -0.44 -0.04 118.68 125.27 3b3m s LEU 572 Ca -0.04 0.00 -0.07 0.00 -0.22 0.00 0.00 54.13 53.80 3b3m s LEU 572 Cb -0.15 -2.46 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 3b3m s LEU 572 CO 0.02 -0.34 0.07 -0.70 -1.32 0.00 0.00 176.35 174.08 3b3m s GLU 573 N 2.17 3.74 -0.07 1.98 2.12 0.04 -0.55 118.70 128.13 3b3m s GLU 573 Ca 0.15 -0.44 0.00 0.00 0.36 0.00 0.00 54.97 55.05 3b3m s GLU 573 Cb -0.16 -3.30 0.02 0.00 0.26 0.00 0.00 34.13 30.95 3b3m s GLU 573 CO 0.12 -0.07 -0.06 0.42 -0.54 0.00 0.00 175.26 175.13 3b3m s ILE 574 N 1.30 0.75 -1.70 -3.70 1.01 -0.64 -1.77 121.20 116.45 3b3m s ILE 574 Ca 0.05 -0.19 -0.17 0.00 0.00 0.00 0.00 60.65 60.34 3b3m s ILE 574 Cb -0.15 -0.77 0.15 0.00 0.01 0.00 0.00 42.46 41.70 3b3m s ILE 574 CO 0.04 0.29 0.67 0.61 0.00 0.00 0.00 174.94 176.55 3b3m n GLY 575 N 4.42 -0.39 2.96 6.18 0.00 -1.26 0.22 105.19 117.32 3b3m n GLY 575 Ca -0.18 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3b3m n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b3m n GLY 576 N -1.47 2.81 3.83 -0.02 0.00 -1.26 -3.49 105.19 105.60 3b3m n GLY 576 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 3b3m n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3b3m s LEU 577 N 0.00 4.03 -0.20 0.99 1.43 0.13 -5.01 118.68 120.06 3b3m s LEU 577 Ca 0.00 1.52 0.01 0.00 -1.03 0.00 0.00 54.13 54.63 3b3m s LEU 577 Cb 0.00 -4.28 0.03 0.00 0.03 0.00 0.00 46.19 41.97 3b3m s LEU 577 CO 0.00 -0.26 -0.17 -1.61 0.23 0.00 0.00 176.35 174.54 3b3m s GLU 578 N -2.97 2.88 -0.65 1.70 2.02 -1.26 -1.62 118.70 118.80 3b3m s GLU 578 Ca 0.57 -0.91 -0.08 0.00 0.02 0.00 0.00 54.97 54.56 3b3m s GLU 578 Cb -0.10 -2.67 0.17 0.00 0.10 0.00 0.00 34.13 31.63 3b3m s GLU 578 CO 0.16 -0.28 0.52 -0.06 0.02 0.00 0.00 175.26 175.62 3b3m s PHE 579 N 1.27 3.53 0.05 1.61 0.40 0.29 0.29 117.98 125.41 3b3m s PHE 579 Ca 0.02 -2.22 0.32 0.00 -0.60 0.00 0.00 56.93 54.46 3b3m s PHE 579 Cb -0.14 -3.50 1.48 0.00 0.51 0.00 0.00 43.02 41.37 3b3m s PHE 579 CO -0.11 -0.94 1.97 0.66 0.70 0.00 0.00 175.22 177.50 3b3m h SER 580 N 7.71 0.00 -3.41 1.36 4.64 -1.81 -1.15 113.55 120.89 3b3m h SER 580 Ca -0.04 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.68 3b3m h SER 580 Cb 1.02 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.71 3b3m h SER 580 CO 0.77 0.00 -0.75 0.00 -0.87 0.00 0.00 176.83 175.98 3b3m s ALA 581 N -3.67 1.93 -0.38 5.18 0.00 -1.19 -4.64 121.76 119.00 3b3m s ALA 581 Ca 0.00 -1.74 0.11 0.00 0.00 0.00 0.00 51.96 50.34 3b3m s ALA 581 Cb 0.10 -1.63 0.36 0.00 0.00 0.00 0.00 23.12 21.94 3b3m s ALA 581 CO 0.44 -1.52 0.87 0.00 0.00 0.00 0.00 175.76 175.55 3b3m n PRO 583 N 0.21 1.87 -4.09 0.00 -0.04 -1.17 -4.61 135.00 127.17 3b3m n PRO 583 Ca 0.18 0.66 -0.12 0.00 -0.04 0.00 0.00 63.50 64.19 3b3m n PRO 583 Cb 0.70 -2.29 -0.11 0.00 -0.04 0.00 0.00 33.50 31.75 3b3m n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3b3m s PHE 584 N -0.06 0.70 0.07 0.54 -0.12 -0.51 -0.86 117.98 117.73 3b3m s PHE 584 Ca 0.69 -0.66 -0.10 0.00 -0.05 0.00 0.00 56.93 56.81 3b3m s PHE 584 Cb -0.69 -0.42 0.01 0.00 -0.63 0.00 0.00 43.02 41.29 3b3m s PHE 584 CO 0.50 -0.13 0.22 -1.54 -0.05 0.00 0.00 175.22 174.22 3b3m s SER 585 N -2.08 0.03 0.00 1.98 1.04 0.46 -1.05 113.70 114.08 3b3m s SER 585 Ca -0.03 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 55.92 3b3m s SER 585 Cb -0.04 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.41 3b3m s SER 585 CO -0.02 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.14 3b3m n GLY 586 N 0.24 4.48 3.12 7.32 0.00 -1.12 -1.61 105.19 117.62 3b3m n GLY 586 Ca -0.17 -0.59 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 3b3m n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3b3m s TRP 587 N 3.61 0.28 0.61 1.61 -2.14 -1.26 -4.45 118.94 117.20 3b3m s TRP 587 Ca 0.00 -0.68 -0.16 0.00 2.66 0.00 0.00 56.10 57.92 3b3m s TRP 587 Cb 0.00 -0.20 -0.03 0.00 -3.10 0.00 0.00 33.47 30.15 3b3m s TRP 587 CO 0.00 -0.40 1.08 0.71 -2.66 0.00 0.00 176.95 175.69 3b3m s TYR 588 N -3.20 2.81 -0.16 1.66 1.51 -1.26 -4.91 117.35 113.81 3b3m s TYR 588 Ca 0.00 1.53 -0.04 0.00 -1.01 0.00 0.00 57.07 57.55 3b3m s TYR 588 Cb 0.02 -3.10 -0.03 0.00 -0.11 0.00 0.00 41.96 38.75 3b3m s TYR 588 CO -0.07 -1.38 -0.03 1.41 -1.11 0.00 0.00 175.55 174.37 3b3m s MET 589 N -3.98 3.67 0.26 -0.62 -2.45 -1.25 -1.09 119.30 113.84 3b3m s MET 589 Ca 0.66 -0.51 -0.11 0.00 -1.25 0.00 0.00 55.69 54.47 3b3m s MET 589 Cb -0.18 -2.94 0.37 0.00 1.25 0.00 0.00 34.83 33.33 3b3m s MET 589 CO 0.37 0.22 1.56 0.78 1.05 0.00 0.00 175.02 179.00 3b3m h GLY 590 N 6.78 0.49 0.69 2.11 0.00 -0.81 -1.31 103.07 111.02 3b3m h GLY 590 Ca -0.32 0.39 0.17 0.00 0.00 0.00 0.00 47.33 47.57 3b3m h GLY 590 CO 0.63 -0.32 0.49 -0.91 0.00 0.00 0.00 176.54 176.43 3b3m h THR 591 N -0.00 0.53 -0.94 4.70 1.35 -1.93 -0.77 112.91 115.85 3b3m h THR 591 Ca 0.43 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 66.36 3b3m h THR 591 Cb 0.67 0.64 -0.07 0.00 -1.73 0.00 0.00 68.15 67.67 3b3m h THR 591 CO -0.99 0.00 0.59 -0.33 -0.25 0.00 0.00 175.52 174.54 3b3m h GLU 592 N 0.00 1.02 0.00 4.72 5.08 -1.64 0.82 114.58 124.59 3b3m h GLU 592 Ca 0.28 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.50 3b3m h GLU 592 Cb 1.25 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3b3m h GLU 592 CO -0.00 0.68 -0.72 0.82 -1.00 0.00 0.00 179.01 178.79 3b3m h ILE 593 N 1.05 0.41 -0.57 3.13 2.04 -1.35 -1.65 117.51 120.57 3b3m h ILE 593 Ca 0.41 -1.48 -0.02 0.00 1.00 0.00 0.00 64.86 64.77 3b3m h ILE 593 Cb 0.21 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 3b3m h ILE 593 CO -0.19 0.14 0.27 1.23 0.00 0.00 0.00 178.15 179.60 3b3m h GLY 594 N -1.00 0.86 0.00 5.37 0.00 -1.33 0.19 103.07 107.16 3b3m h GLY 594 Ca -0.13 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 3b3m h GLY 594 CO -0.08 0.38 -0.79 -0.62 0.00 0.00 0.00 176.54 175.44 3b3m n VAL 595 N -4.36 1.45 0.05 4.60 0.31 0.23 -3.89 118.33 116.73 3b3m n VAL 595 Ca 0.05 0.15 -0.03 0.00 -0.01 0.00 0.00 64.34 64.50 3b3m n VAL 595 Cb 0.13 -2.33 -0.01 0.00 -0.91 0.00 0.00 33.84 30.72 3b3m n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 3b3m h ARG 596 N -1.00 -0.17 -0.85 5.55 2.47 -1.44 -1.73 114.38 117.21 3b3m h ARG 596 Ca -0.06 0.01 0.07 0.00 -1.26 0.00 0.00 59.98 58.74 3b3m h ARG 596 Cb 0.75 0.04 -0.06 0.00 -1.65 0.00 0.00 29.97 29.05 3b3m h ARG 596 CO -0.04 -0.11 0.52 -0.44 0.56 0.00 0.00 179.97 180.46 3b3m h ASP 597 N -0.57 0.81 0.28 7.04 3.32 -1.11 -1.76 116.42 124.44 3b3m h ASP 597 Ca -0.02 0.02 -0.34 0.00 0.02 0.00 0.00 57.03 56.72 3b3m h ASP 597 Cb 0.14 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3b3m h ASP 597 CO 0.03 0.51 -1.76 1.88 -1.72 0.00 0.00 179.24 178.17 3b3m h TYR 598 N 0.94 0.49 0.00 4.55 0.99 -1.14 -1.84 116.97 120.95 3b3m h TYR 598 Ca 0.38 -0.36 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3b3m h TYR 598 Cb 0.21 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 37.92 3b3m h TYR 598 CO -0.04 1.55 -1.14 0.00 -0.00 0.00 0.00 178.16 178.53 3b3m n ASP 600 N -1.65 3.10 -0.28 0.00 9.92 -0.66 -4.57 116.55 122.41 3b3m n ASP 600 Ca 0.01 1.11 0.08 0.00 -0.53 0.00 0.00 54.79 55.46 3b3m n ASP 600 Cb 0.32 -1.46 0.32 0.00 -0.64 0.00 0.00 41.12 39.67 3b3m n ASP 600 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 3b3m h ASN 601 N 5.16 0.76 -0.24 -2.24 -0.73 -1.92 -0.41 115.58 115.96 3b3m h ASN 601 Ca -0.45 0.03 0.00 0.00 1.87 0.00 0.00 56.30 57.75 3b3m h ASN 601 Cb 1.26 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.72 3b3m h ASN 601 CO 0.83 0.43 0.00 -1.54 -0.37 0.00 0.00 177.43 176.78 3b3m n SER 602 N -4.54 1.38 0.00 1.15 3.41 -1.26 -4.48 113.62 109.29 3b3m n SER 602 Ca 0.16 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.82 3b3m n SER 602 Cb 0.35 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 3b3m n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3b3m n ARG 603 N 0.24 0.90 0.19 4.33 5.12 -0.19 -4.16 116.66 123.09 3b3m n ARG 603 Ca 0.10 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.16 3b3m n ARG 603 Cb 0.23 0.00 0.57 0.00 -1.16 0.00 0.00 32.46 32.10 3b3m n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 3b3m h TYR 604 N 0.00 0.00 -6.58 -1.55 -1.99 -1.48 -3.41 116.97 101.96 3b3m h TYR 604 Ca 0.00 0.00 -0.42 0.00 2.00 0.00 0.00 58.73 60.31 3b3m h TYR 604 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 3b3m h TYR 604 CO 0.00 0.00 -0.87 -1.71 -0.00 0.00 0.00 178.16 175.58 3b3m n ASN 605 N -2.56 -3.65 -1.18 3.88 4.05 -0.67 -4.88 115.26 110.25 3b3m n ASN 605 Ca 0.01 -0.85 0.11 0.00 0.45 0.00 0.00 54.58 54.30 3b3m n ASN 605 Cb 0.26 -1.26 0.26 0.00 1.23 0.00 0.00 39.78 40.27 3b3m n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 3b3m n ILE 606 N -2.73 0.81 0.02 -1.44 -5.35 0.08 -4.66 119.36 106.09 3b3m n ILE 606 Ca -0.22 -0.91 -0.10 0.00 -0.27 0.00 0.00 62.75 61.26 3b3m n ILE 606 Cb 0.53 0.68 -0.04 0.00 -1.74 0.00 0.00 39.64 39.07 3b3m n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 3b3m h LEU 607 N 4.01 -0.70 -0.15 7.28 3.38 -1.86 -1.89 115.31 125.38 3b3m h LEU 607 Ca 0.00 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.12 3b3m h LEU 607 Cb 0.94 0.31 -0.04 0.00 0.09 0.00 0.00 40.66 41.96 3b3m h LEU 607 CO 0.00 -0.29 -0.09 -0.33 0.09 0.00 0.00 178.44 177.82 3b3m h GLU 608 N -0.32 -0.08 -0.55 1.13 5.08 -1.99 0.99 114.58 118.84 3b3m h GLU 608 Ca 0.09 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.55 3b3m h GLU 608 Cb 0.44 0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.64 3b3m h GLU 608 CO -0.27 -0.05 0.13 0.93 -1.00 0.00 0.00 179.01 178.75 3b3m h GLU 609 N -0.08 0.26 -0.37 2.33 5.08 -1.84 0.11 114.58 120.07 3b3m h GLU 609 Ca 0.09 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3b3m h GLU 609 Cb 0.21 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3b3m h GLU 609 CO -0.20 0.17 -0.04 0.28 -1.00 0.00 0.00 179.01 178.22 3b3m h VAL 610 N 0.27 1.27 -0.19 3.13 2.07 -0.93 -2.72 116.25 119.14 3b3m h VAL 610 Ca 0.28 -1.07 0.04 0.00 0.82 0.00 0.00 66.70 66.77 3b3m h VAL 610 Cb 0.38 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 3b3m h VAL 610 CO -0.34 0.35 -0.08 0.00 0.02 0.00 0.00 177.57 177.52 3b3m h ALA 611 N 0.85 0.08 -0.73 1.67 0.00 -0.13 -1.90 119.26 119.11 3b3m h ALA 611 Ca 0.10 0.08 0.11 0.00 0.00 0.00 0.00 54.91 55.20 3b3m h ALA 611 Cb 0.52 0.21 -0.08 0.00 0.00 0.00 0.00 17.79 18.45 3b3m h ALA 611 CO 0.03 -0.51 0.35 0.87 0.00 0.00 0.00 179.25 179.98 3b3m h LYS 612 N -0.06 0.55 0.00 0.00 1.57 -0.90 -0.33 116.57 117.40 3b3m h LYS 612 Ca 0.10 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3b3m h LYS 612 Cb 0.21 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 3b3m h LYS 612 CO -0.23 0.36 -0.08 0.87 -0.57 0.00 0.00 179.45 179.80 3b3m h LYS 613 N 0.57 0.00 0.00 3.15 1.79 -1.10 -2.35 116.57 118.62 3b3m h LYS 613 Ca 0.38 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 3b3m h LYS 613 Cb 0.45 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 3b3m h LYS 613 CO -0.31 0.08 -0.56 -1.33 -1.08 0.00 0.00 179.45 176.25 3b3m n MET 614 N -3.25 0.13 -3.04 3.15 2.81 -0.21 -4.97 117.12 111.73 3b3m n MET 614 Ca -0.00 0.03 -0.13 0.00 -1.81 0.00 0.00 57.70 55.79 3b3m n MET 614 Cb 0.31 -1.58 0.06 0.00 -0.71 0.00 0.00 33.22 31.31 3b3m n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3b3m n ASP 615 N -1.76 -4.14 -4.88 7.83 2.03 -0.72 -5.03 116.55 109.87 3b3m n ASP 615 Ca 0.04 -0.55 -0.29 0.00 0.52 0.00 0.00 54.79 54.51 3b3m n ASP 615 Cb 0.38 -4.34 -0.04 0.00 -0.72 0.00 0.00 41.12 36.40 3b3m n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3b3m s LEU 616 N -5.23 4.18 -0.79 -2.67 1.43 -1.20 -5.02 118.68 109.37 3b3m s LEU 616 Ca 0.21 0.14 -0.25 0.00 -1.03 0.00 0.00 54.13 53.20 3b3m s LEU 616 Cb -0.03 -2.79 -0.01 0.00 0.03 0.00 0.00 46.19 43.40 3b3m s LEU 616 CO 0.60 0.13 1.70 -0.62 0.23 0.00 0.00 176.35 178.40 3b3m s ASP 617 N -2.73 5.61 -0.04 2.29 3.68 -1.26 -4.75 116.67 119.47 3b3m s ASP 617 Ca 0.33 -0.41 0.11 0.00 2.13 0.00 0.00 52.55 54.71 3b3m s ASP 617 Cb -0.12 -2.55 0.37 0.00 -1.45 0.00 0.00 42.92 39.17 3b3m s ASP 617 CO 0.26 -2.24 1.25 0.23 0.13 0.00 0.00 175.17 174.81 3b3m n MET 618 N 9.08 2.26 -0.04 4.34 2.81 -1.26 -4.08 117.12 130.22 3b3m n MET 618 Ca 0.25 -1.48 -0.14 0.00 -1.81 0.00 0.00 57.70 54.52 3b3m n MET 618 Cb 0.50 -1.49 -0.08 0.00 -0.71 0.00 0.00 33.22 31.44 3b3m n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3b3m h ARG 619 N 2.23 0.32 -5.31 0.03 3.08 -2.04 -3.44 114.38 109.24 3b3m h ARG 619 Ca 0.00 -0.20 -0.66 0.00 0.07 0.00 0.00 59.98 59.19 3b3m h ARG 619 Cb 0.75 0.02 -0.28 0.00 0.08 0.00 0.00 29.97 30.54 3b3m h ARG 619 CO 0.08 0.78 -0.79 -1.59 -1.07 0.00 0.00 179.97 177.38 3b3m s LYS 620 N -4.04 3.30 0.46 0.04 -2.85 -1.26 -5.00 119.74 110.39 3b3m s LYS 620 Ca -0.14 -0.73 0.16 0.00 -1.00 0.00 0.00 55.97 54.26 3b3m s LYS 620 Cb 0.04 -2.57 1.11 0.00 -2.06 0.00 0.00 37.83 34.36 3b3m s LYS 620 CO 0.75 0.19 1.98 1.79 0.10 0.00 0.00 175.35 180.16 3b3m h THR 621 N 5.49 0.86 0.00 3.79 1.35 -1.89 -1.56 112.91 120.94 3b3m h THR 621 Ca -0.25 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3b3m h THR 621 Cb 1.22 0.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 3b3m h THR 621 CO 0.54 0.06 0.00 -1.54 -0.25 0.00 0.00 175.52 174.33 3b3m n SER 622 N -4.46 0.00 0.06 5.36 3.41 -1.26 -1.10 113.62 115.63 3b3m n SER 622 Ca 0.10 0.16 0.13 0.00 -0.26 0.00 0.00 58.87 59.00 3b3m n SER 622 Cb 0.42 -0.30 0.49 0.00 -0.26 0.00 0.00 64.21 64.56 3b3m n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3b3m n SER 623 N -1.30 0.48 -2.76 4.04 3.41 -0.59 -4.91 113.62 111.99 3b3m n SER 623 Ca 0.05 0.55 -0.19 0.00 -0.26 0.00 0.00 58.87 59.02 3b3m n SER 623 Cb 0.09 -0.67 0.04 0.00 -0.26 0.00 0.00 64.21 63.41 3b3m n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3b3m n LEU 624 N -1.95 -2.77 -0.13 1.04 4.77 -0.26 -4.92 117.00 112.78 3b3m n LEU 624 Ca 0.06 -0.32 -0.06 0.00 -0.03 0.00 0.00 56.01 55.66 3b3m n LEU 624 Cb 0.39 -2.59 0.13 0.00 -2.33 0.00 0.00 43.42 39.01 3b3m n LEU 624 CO 0.28 0.33 0.86 4.11 -1.33 0.00 0.00 177.39 181.65 3b3m h TRP 625 N -1.60 0.91 -0.90 -1.77 5.08 -1.83 -1.46 115.95 114.39 3b3m h TRP 625 Ca -0.46 -0.14 0.00 0.00 1.08 0.00 0.00 58.89 59.38 3b3m h TRP 625 Cb 1.31 -0.25 -0.04 0.00 -3.00 0.00 0.00 29.16 27.18 3b3m h TRP 625 CO 0.43 0.84 0.58 0.87 -1.28 0.00 0.00 178.44 179.88 3b3m h LYS 626 N 0.79 1.20 -0.41 0.12 1.57 -1.91 -0.31 116.57 117.61 3b3m h LYS 626 Ca 0.15 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.79 3b3m h LYS 626 Cb 0.49 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3b3m h LYS 626 CO 0.02 0.81 0.03 -0.44 -0.57 0.00 0.00 179.45 179.30 3b3m h ASP 627 N 1.22 0.69 -0.38 0.86 5.19 -1.84 0.27 116.42 122.43 3b3m h ASP 627 Ca 0.33 -0.29 -0.05 0.00 -0.62 0.00 0.00 57.03 56.40 3b3m h ASP 627 Cb -0.11 -0.18 -0.01 0.00 0.18 0.00 0.00 39.33 39.20 3b3m h ASP 627 CO -0.07 0.80 0.06 1.56 -3.12 0.00 0.00 179.24 178.47 3b3m h GLN 628 N 0.55 0.63 -0.37 3.56 4.20 -0.94 -1.89 115.11 120.85 3b3m h GLN 628 Ca 0.12 -0.17 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 3b3m h GLN 628 Cb 0.43 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 3b3m h GLN 628 CO 0.01 0.70 -0.05 0.00 -0.67 0.00 0.00 178.83 178.82 3b3m h ALA 629 N 0.91 1.23 0.05 3.87 0.00 -0.99 -2.53 119.26 121.80 3b3m h ALA 629 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3b3m h ALA 629 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3b3m h ALA 629 CO 0.01 0.51 -0.06 1.25 0.00 0.00 0.00 179.25 180.96 3b3m h LEU 630 N 0.57 -0.15 -0.99 0.00 5.85 -0.54 -0.94 115.31 119.10 3b3m h LEU 630 Ca 0.11 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.89 3b3m h LEU 630 Cb 0.43 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.46 3b3m h LEU 630 CO 0.02 -0.09 0.65 0.58 -0.34 0.00 0.00 178.44 179.26 3b3m h VAL 631 N -0.12 1.15 -0.39 1.05 2.07 -1.15 -1.78 116.25 117.08 3b3m h VAL 631 Ca 0.01 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 3b3m h VAL 631 Cb 0.13 -0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 29.69 3b3m h VAL 631 CO -0.02 0.23 0.02 -0.33 0.02 0.00 0.00 177.57 177.48 3b3m h GLU 632 N 1.24 0.68 -0.60 1.57 4.39 -1.06 0.75 114.58 121.53 3b3m h GLU 632 Ca 0.40 -0.20 -0.00 0.00 0.34 0.00 0.00 59.36 59.90 3b3m h GLU 632 Cb 0.04 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.59 3b3m h GLU 632 CO -0.14 0.76 0.36 0.82 -1.16 0.00 0.00 179.01 179.65 3b3m h ILE 633 N 0.51 1.17 0.00 3.13 2.04 -0.80 -0.29 117.51 123.28 3b3m h ILE 633 Ca 0.11 -0.38 -0.17 0.00 1.00 0.00 0.00 64.86 65.43 3b3m h ILE 633 Cb 0.43 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3b3m h ILE 633 CO 0.02 0.18 -0.79 0.78 0.00 0.00 0.00 178.15 178.34 3b3m h ASN 634 N 0.83 0.00 -0.17 1.72 2.35 -1.00 -2.19 115.58 117.12 3b3m h ASN 634 Ca 0.22 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.80 3b3m h ASN 634 Cb -0.03 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 3b3m h ASN 634 CO -0.04 0.79 -0.51 0.40 -1.65 0.00 0.00 177.43 176.41 3b3m h ILE 635 N 0.00 1.29 -0.26 2.81 2.04 -0.26 -2.75 117.51 120.37 3b3m h ILE 635 Ca -0.01 -1.72 -0.04 0.00 1.00 0.00 0.00 64.86 64.09 3b3m h ILE 635 Cb 1.56 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 39.27 3b3m h ILE 635 CO 0.10 0.55 -0.01 0.00 0.00 0.00 0.00 178.15 178.79 3b3m h ALA 636 N 0.84 0.36 0.16 1.87 0.00 -1.02 -1.37 119.26 120.10 3b3m h ALA 636 Ca 0.02 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.71 3b3m h ALA 636 Cb 1.09 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3b3m h ALA 636 CO 0.11 0.11 -0.27 0.28 0.00 0.00 0.00 179.25 179.47 3b3m h VAL 637 N 0.25 0.41 -0.84 0.00 2.07 -1.41 0.38 116.25 117.11 3b3m h VAL 637 Ca 0.07 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.63 3b3m h VAL 637 Cb 0.44 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 3b3m h VAL 637 CO 0.02 0.00 0.54 -0.07 0.02 0.00 0.00 177.57 178.07 3b3m h LEU 638 N -0.51 0.88 -0.38 2.57 3.38 -1.49 -1.57 115.31 118.19 3b3m h LEU 638 Ca 0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 3b3m h LEU 638 Cb 0.52 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3b3m h LEU 638 CO -0.13 0.60 0.16 0.22 0.09 0.00 0.00 178.44 179.38 3b3m h TYR 639 N 1.03 0.56 -0.57 1.13 3.20 -0.56 -0.57 116.97 121.18 3b3m h TYR 639 Ca 0.34 -0.04 -0.04 0.00 3.14 0.00 0.00 58.73 62.14 3b3m h TYR 639 Cb 0.05 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.12 3b3m h TYR 639 CO -0.03 0.49 0.21 0.77 -1.64 0.00 0.00 178.16 177.97 3b3m h SER 640 N 0.46 0.81 -0.35 -2.11 0.02 0.12 0.90 113.55 113.40 3b3m h SER 640 Ca 0.13 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 3b3m h SER 640 Cb 0.16 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3b3m h SER 640 CO -0.01 0.78 -0.16 -0.26 -1.14 0.00 0.00 176.83 176.03 3b3m h PHE 641 N 0.80 0.83 -0.42 3.45 -1.00 -1.22 -2.36 116.94 117.03 3b3m h PHE 641 Ca 0.19 -0.21 -0.10 0.00 2.81 0.00 0.00 57.97 60.66 3b3m h PHE 641 Cb 0.23 -0.19 -0.02 0.00 3.61 0.00 0.00 35.95 39.58 3b3m h PHE 641 CO 0.01 0.92 -0.16 1.96 -1.61 0.00 0.00 178.31 179.43 3b3m h GLN 642 N 0.51 0.79 -0.40 1.51 4.20 -0.97 0.06 115.11 120.82 3b3m h GLN 642 Ca 0.08 -0.29 -0.07 0.00 0.06 0.00 0.00 58.65 58.42 3b3m h GLN 642 Cb 0.70 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 3b3m h GLN 642 CO 0.05 0.90 -0.06 0.77 -0.67 0.00 0.00 178.83 179.82 3b3m h SER 643 N 0.70 0.64 -0.22 1.46 0.02 -0.75 -2.15 113.55 113.26 3b3m h SER 643 Ca 0.11 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3b3m h SER 643 Cb 0.66 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3b3m h SER 643 CO 0.05 0.75 0.00 0.47 -1.14 0.00 0.00 176.83 176.96 3b3m n ASP 644 N -4.21 1.53 -2.72 3.07 8.00 -0.89 -4.92 116.55 116.40 3b3m n ASP 644 Ca 0.02 -1.81 -0.20 0.00 0.71 0.00 0.00 54.79 53.50 3b3m n ASP 644 Cb 0.31 -0.14 0.03 0.00 -0.02 0.00 0.00 41.12 41.30 3b3m n ASP 644 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 3b3m n LYS 645 N 0.27 -4.33 -4.02 -1.24 3.00 -0.81 -4.99 118.16 106.04 3b3m n LYS 645 Ca 0.13 0.83 -0.35 0.00 -0.00 0.00 0.00 58.31 58.93 3b3m n LYS 645 Cb 0.28 -5.51 -0.11 0.00 0.00 0.00 0.00 35.03 29.69 3b3m n LYS 645 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3b3m s VAL 646 N -3.11 4.55 0.27 3.15 1.01 -0.04 -4.30 120.40 121.92 3b3m s VAL 646 Ca 0.26 -0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 3b3m s VAL 646 Cb -0.12 -3.06 -0.13 0.00 0.00 0.00 0.00 36.38 33.07 3b3m s VAL 646 CO 0.32 0.44 1.27 0.41 0.00 0.00 0.00 175.10 177.54 3b3m n THR 647 N 3.84 1.44 -3.55 3.92 -1.04 0.39 -4.28 114.28 115.00 3b3m n THR 647 Ca -0.17 -0.36 -0.13 0.00 -2.04 0.00 0.00 64.05 61.35 3b3m n THR 647 Cb 0.52 -1.33 -0.05 0.00 -1.82 0.00 0.00 70.33 67.65 3b3m n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 3b3m s ILE 648 N -0.56 0.00 -0.02 12.58 2.07 -1.26 -4.40 121.20 129.61 3b3m s ILE 648 Ca 0.63 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.91 3b3m s ILE 648 Cb -0.66 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 40.92 3b3m s ILE 648 CO 0.55 0.00 -0.14 0.54 -1.91 0.00 0.00 174.94 173.98 3b3m s VAL 649 N -1.33 1.14 0.57 4.00 0.11 -0.25 -4.98 120.40 119.67 3b3m s VAL 649 Ca -0.05 -0.59 -0.11 0.00 -2.93 0.00 0.00 61.98 58.31 3b3m s VAL 649 Cb -0.00 -0.97 -0.05 0.00 -1.53 0.00 0.00 36.38 33.83 3b3m s VAL 649 CO 0.04 0.33 0.96 1.51 -3.33 0.00 0.00 175.10 174.61 3b3m s ASP 650 N -0.11 6.31 0.57 3.54 -4.77 -1.26 -0.08 116.67 120.87 3b3m s ASP 650 Ca 0.01 1.32 0.26 0.00 -3.30 0.00 0.00 52.55 50.84 3b3m s ASP 650 Cb -0.08 -2.42 1.65 0.00 -1.09 0.00 0.00 42.92 40.98 3b3m s ASP 650 CO 0.00 -0.74 2.22 1.12 0.70 0.00 0.00 175.17 178.47 3b3m h HIS 651 N 0.05 0.00 0.25 2.11 2.07 -1.98 -1.01 115.15 116.64 3b3m h HIS 651 Ca -0.45 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.06 3b3m h HIS 651 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 3b3m h HIS 651 CO 0.64 0.01 -0.12 0.45 -3.07 0.00 0.00 177.93 175.84 3b3m h HIS 652 N 0.00 -0.31 -0.42 6.12 3.86 -1.96 -1.79 115.15 120.65 3b3m h HIS 652 Ca -0.00 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3b3m h HIS 652 Cb 0.01 0.10 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 3b3m h HIS 652 CO 0.00 0.07 0.22 1.03 0.86 0.00 0.00 177.93 180.10 3b3m h SER 653 N -0.81 0.32 -0.40 2.45 0.87 -1.89 -1.38 113.55 112.71 3b3m h SER 653 Ca -0.03 0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 3b3m h SER 653 Cb 0.51 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 3b3m h SER 653 CO 0.06 0.23 0.24 0.00 -0.53 0.00 0.00 176.83 176.83 3b3m h ALA 654 N 1.22 0.50 -0.32 6.23 0.00 -1.22 -1.25 119.26 124.42 3b3m h ALA 654 Ca 0.18 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 3b3m h ALA 654 Cb 0.08 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3b3m h ALA 654 CO -0.12 -0.01 -0.33 1.79 0.00 0.00 0.00 179.25 180.58 3b3m h THR 655 N 0.52 1.28 -0.63 0.00 1.35 -1.21 -0.89 112.91 113.33 3b3m h THR 655 Ca 0.14 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 3b3m h THR 655 Cb -0.01 1.39 -0.03 0.00 -1.73 0.00 0.00 68.15 67.77 3b3m h THR 655 CO -0.03 0.48 0.41 -0.08 -0.25 0.00 0.00 175.52 176.06 3b3m h GLU 656 N 0.60 0.83 -0.77 4.72 4.81 -1.04 -1.46 114.58 122.27 3b3m h GLU 656 Ca 0.06 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3b3m h GLU 656 Cb 0.85 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 3b3m h GLU 656 CO 0.07 0.56 0.41 0.77 -0.73 0.00 0.00 179.01 180.09 3b3m h SER 657 N 0.86 0.98 -0.73 1.04 0.02 -0.88 -2.50 113.55 112.34 3b3m h SER 657 Ca 0.23 -0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 3b3m h SER 657 Cb -0.09 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.17 3b3m h SER 657 CO -0.05 0.81 0.28 0.15 -1.14 0.00 0.00 176.83 176.88 3b3m h PHE 658 N 1.07 1.13 -0.59 3.45 3.57 -0.59 0.38 116.94 125.38 3b3m h PHE 658 Ca 0.27 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3b3m h PHE 658 Cb 0.06 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.43 3b3m h PHE 658 CO 0.00 0.86 0.33 0.82 -2.23 0.00 0.00 178.31 178.10 3b3m h ILE 659 N 1.08 1.18 -0.35 1.41 1.08 -0.93 0.45 117.51 121.45 3b3m h ILE 659 Ca 0.25 -0.44 -0.01 0.00 -0.39 0.00 0.00 64.86 64.27 3b3m h ILE 659 Cb 0.22 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.37 3b3m h ILE 659 CO -0.02 0.20 0.20 0.50 -0.69 0.00 0.00 178.15 178.33 3b3m h LYS 660 N 0.79 0.48 -0.46 2.37 3.64 -1.04 -0.53 116.57 121.81 3b3m h LYS 660 Ca 0.21 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 3b3m h LYS 660 Cb 0.02 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.71 3b3m h LYS 660 CO -0.04 0.39 0.28 1.25 -2.27 0.00 0.00 179.45 179.06 3b3m h HIS 661 N 0.44 0.52 -0.30 1.91 2.76 -0.32 -0.65 115.15 119.50 3b3m h HIS 661 Ca 0.12 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.34 3b3m h HIS 661 Cb 0.04 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 28.80 3b3m h HIS 661 CO -0.03 0.30 0.09 1.98 -1.30 0.00 0.00 177.93 178.97 3b3m h MET 662 N 0.56 0.21 -0.43 5.26 4.05 0.27 0.12 114.93 124.97 3b3m h MET 662 Ca 0.18 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.62 3b3m h MET 662 Cb 0.00 -0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.72 3b3m h MET 662 CO -0.08 0.14 0.23 0.93 0.23 0.00 0.00 176.91 178.36 3b3m h GLU 663 N 0.21 0.44 -0.05 0.39 5.08 -0.61 0.52 114.58 120.56 3b3m h GLU 663 Ca 0.14 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 3b3m h GLU 663 Cb 0.12 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3b3m h GLU 663 CO -0.15 0.29 -0.02 -0.91 -1.00 0.00 0.00 179.01 177.22 3b3m h ASN 664 N 0.45 -0.06 -0.93 1.42 2.35 -0.48 -1.91 115.58 116.42 3b3m h ASN 664 Ca 0.18 0.02 0.05 0.00 -0.55 0.00 0.00 56.30 56.00 3b3m h ASN 664 Cb 0.08 0.04 -0.06 0.00 0.05 0.00 0.00 38.32 38.43 3b3m h ASN 664 CO -0.12 -0.02 0.61 -0.33 -1.65 0.00 0.00 177.43 175.92 3b3m h GLU 665 N -0.01 1.11 -0.51 0.81 4.39 -0.34 0.19 114.58 120.22 3b3m h GLU 665 Ca 0.03 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.56 3b3m h GLU 665 Cb 0.05 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.43 3b3m h GLU 665 CO -0.06 0.73 -0.09 1.88 -1.16 0.00 0.00 179.01 180.31 3b3m h TYR 666 N 1.14 1.07 0.00 4.33 -1.99 -0.59 0.16 116.97 121.10 3b3m h TYR 666 Ca 0.38 -0.22 -0.09 0.00 2.00 0.00 0.00 58.73 60.80 3b3m h TYR 666 Cb 0.07 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.52 3b3m h TYR 666 CO -0.00 1.01 -0.47 0.07 -0.00 0.00 0.00 178.16 178.78 3b3m h ARG 667 N 0.82 0.00 0.00 4.88 0.11 -0.64 -1.53 114.38 118.02 3b3m h ARG 667 Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.21 3b3m h ARG 667 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 3b3m h ARG 667 CO 0.04 0.40 -1.53 0.00 0.10 0.00 0.00 179.97 178.98 3b3m n ARG 669 N -1.92 3.65 -0.58 0.00 0.63 0.49 -5.02 116.66 113.91 3b3m n ARG 669 Ca -0.02 -0.01 0.00 0.00 -0.92 0.00 0.00 57.85 56.90 3b3m n ARG 669 Cb 0.39 -0.29 0.00 0.00 0.45 0.00 0.00 32.46 33.02 3b3m n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3b3m n GLY 670 N 0.52 0.75 0.00 5.14 0.00 -0.58 -4.53 105.19 106.50 3b3m n GLY 670 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3b3m n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b3m n GLY 671 N -2.26 0.21 3.02 -0.02 0.00 -1.01 -0.60 105.19 104.52 3b3m n GLY 671 Ca 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 46.02 44.77 3b3m n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3b3m s PRO 673 N 2.68 4.12 -0.13 0.00 0.04 -1.26 -4.65 135.00 135.79 3b3m s PRO 673 Ca 0.12 2.59 -0.09 0.00 0.04 0.00 0.00 61.00 63.66 3b3m s PRO 673 Cb -0.13 -3.04 0.04 0.00 0.04 0.00 0.00 34.50 31.42 3b3m s PRO 673 CO -0.25 -0.67 0.34 0.00 0.04 0.00 0.00 177.00 176.46 3b3m s ALA 674 N 0.31 -0.83 -0.54 8.56 0.00 -0.26 -4.33 121.76 124.66 3b3m s ALA 674 Ca 0.66 1.14 -0.16 0.00 0.00 0.00 0.00 51.96 53.60 3b3m s ALA 674 Cb -0.48 -0.69 0.13 0.00 0.00 0.00 0.00 23.12 22.08 3b3m s ALA 674 CO 0.44 -0.20 0.50 0.34 0.00 0.00 0.00 175.76 176.84 3b3m s ASP 675 N 0.82 6.19 0.23 0.00 3.68 0.49 -3.47 116.67 124.60 3b3m s ASP 675 Ca -0.05 -1.81 -0.07 0.00 2.13 0.00 0.00 52.55 52.75 3b3m s ASP 675 Cb -0.06 -2.21 0.40 0.00 -1.45 0.00 0.00 42.92 39.60 3b3m s ASP 675 CO -0.06 -0.85 1.69 -0.25 0.13 0.00 0.00 175.17 175.83 3b3m h TRP 676 N 8.86 0.24 -0.93 -5.34 7.01 -1.91 0.90 115.95 124.77 3b3m h TRP 676 Ca -0.29 0.04 0.20 0.00 2.11 0.00 0.00 58.89 60.95 3b3m h TRP 676 Cb 1.10 0.00 -0.08 0.00 -2.10 0.00 0.00 29.16 28.08 3b3m h TRP 676 CO 0.73 -0.07 0.60 0.28 -2.79 0.00 0.00 178.44 177.20 3b3m h VAL 677 N 0.26 0.69 0.02 2.65 2.07 -1.92 -1.23 116.25 118.80 3b3m h VAL 677 Ca 0.38 -0.17 -0.33 0.00 0.82 0.00 0.00 66.70 67.39 3b3m h VAL 677 Cb 0.61 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 3b3m h VAL 677 CO -0.47 0.09 -1.97 0.79 0.02 0.00 0.00 177.57 176.03 3b3m n TRP 678 N -4.57 0.76 -0.08 1.57 7.02 -0.48 -4.43 117.44 117.23 3b3m n TRP 678 Ca 0.20 0.24 -0.12 0.00 -1.02 0.00 0.00 57.50 56.80 3b3m n TRP 678 Cb 0.66 -1.13 0.00 0.00 -2.42 0.00 0.00 31.31 28.42 3b3m n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 3b3m h ILE 679 N 0.01 1.28 -2.76 -0.99 1.08 -0.42 -3.43 117.51 112.29 3b3m h ILE 679 Ca -0.39 -1.63 -0.55 0.00 -0.39 0.00 0.00 64.86 61.90 3b3m h ILE 679 Cb 2.06 1.51 -0.01 0.00 -3.07 0.00 0.00 36.82 37.31 3b3m h ILE 679 CO 0.06 0.53 0.97 -0.69 -0.69 0.00 0.00 178.15 178.34 3b3m s VAL 680 N -4.26 3.76 0.58 1.67 1.01 -0.50 -4.93 120.40 117.73 3b3m s VAL 680 Ca -0.10 1.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.70 3b3m s VAL 680 Cb 0.11 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 3b3m s VAL 680 CO 0.87 -0.06 0.78 -2.65 0.00 0.00 0.00 175.10 174.03 3b3m n PRO 681 N 6.50 0.74 0.00 2.72 -0.02 -1.26 -4.86 135.00 138.82 3b3m n PRO 681 Ca 0.15 0.29 0.04 0.00 -2.02 0.00 0.00 63.50 61.96 3b3m n PRO 681 Cb 0.43 -1.96 0.26 0.00 -0.02 0.00 0.00 33.50 32.21 3b3m n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3b3m n PRO 682 N -0.56 0.57 -3.83 0.52 -0.04 -1.26 -4.31 135.00 126.09 3b3m n PRO 682 Ca 0.13 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.48 3b3m n PRO 682 Cb 0.47 -1.24 -0.08 0.00 -0.04 0.00 0.00 33.50 32.61 3b3m n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3b3m s MET 683 N -2.00 0.70 -1.15 0.54 0.23 -1.26 -4.91 119.30 111.44 3b3m s MET 683 Ca 0.13 -0.57 -0.04 0.00 -1.03 0.00 0.00 55.69 54.18 3b3m s MET 683 Cb 0.06 0.29 0.03 0.00 -1.53 0.00 0.00 34.83 33.68 3b3m s MET 683 CO 0.10 -0.21 0.22 0.43 -2.03 0.00 0.00 175.02 173.54 3b3m n SER 684 N 0.74 -3.95 -0.30 -1.18 7.64 -1.26 -4.88 113.62 110.43 3b3m n SER 684 Ca -0.19 -0.05 -0.08 0.00 1.01 0.00 0.00 58.87 59.57 3b3m n SER 684 Cb 0.59 -3.31 -0.07 0.00 -1.01 0.00 0.00 64.21 60.40 3b3m n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3b3m n GLY 685 N -0.99 -2.33 0.00 0.23 0.00 -1.26 -1.49 105.19 99.35 3b3m n GLY 685 Ca -0.09 0.94 0.09 0.00 0.00 0.00 0.00 46.02 46.95 3b3m n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3b3m n SER 686 N -4.68 0.00 -0.66 1.61 3.41 -1.26 -2.09 113.62 109.95 3b3m n SER 686 Ca 0.01 0.17 0.13 0.00 -0.26 0.00 0.00 58.87 58.93 3b3m n SER 686 Cb 0.18 -0.36 0.37 0.00 -0.26 0.00 0.00 64.21 64.15 3b3m n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3b3m n ILE 687 N -1.36 0.05 -3.97 -1.33 -5.35 -0.56 -4.82 119.36 102.03 3b3m n ILE 687 Ca 0.08 -0.36 -0.32 0.00 -0.27 0.00 0.00 62.75 61.88 3b3m n ILE 687 Cb 0.17 0.78 -0.05 0.00 -1.74 0.00 0.00 39.64 38.80 3b3m n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 3b3m s THR 688 N -1.95 5.15 0.41 7.28 -4.23 -0.89 -5.03 115.64 116.39 3b3m s THR 688 Ca 0.35 -0.37 0.18 0.00 -1.18 0.00 0.00 61.69 60.67 3b3m s THR 688 Cb 0.20 -3.44 0.19 0.00 1.34 0.00 0.00 72.50 70.80 3b3m s THR 688 CO 0.32 0.25 1.96 1.55 -0.54 0.00 0.00 174.62 178.16 3b3m h PRO 689 N 3.58 0.00 0.00 3.99 0.13 -1.87 -2.99 132.00 134.83 3b3m h PRO 689 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.64 3b3m h PRO 689 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 3b3m h PRO 689 CO 0.69 0.22 -0.06 -0.39 -0.23 0.00 0.00 178.00 178.23 3b3m h VAL 690 N 0.00 0.33 -0.91 1.56 -1.51 -1.88 -2.20 116.25 111.64 3b3m h VAL 690 Ca -0.00 -0.35 0.02 0.00 -1.23 0.00 0.00 66.70 65.13 3b3m h VAL 690 Cb 0.43 1.26 -0.05 0.00 -2.13 0.00 0.00 31.29 30.80 3b3m h VAL 690 CO 0.03 0.06 0.60 0.15 -1.23 0.00 0.00 177.57 177.18 3b3m h PHE 691 N 0.00 1.13 -0.10 5.19 3.57 -1.71 -1.73 116.94 123.29 3b3m h PHE 691 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 3b3m h PHE 691 Cb 0.25 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.61 3b3m h PHE 691 CO 0.00 0.70 0.00 0.72 -2.23 0.00 0.00 178.31 177.50 3b3m n HIS 692 N -4.41 0.12 -3.40 0.41 8.25 -0.83 -4.83 115.22 110.52 3b3m n HIS 692 Ca 0.11 -0.06 -0.40 0.00 -0.26 0.00 0.00 57.72 57.11 3b3m n HIS 692 Cb 0.04 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.06 3b3m n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 3b3m s GLN 693 N -1.88 3.66 0.41 -0.41 2.00 -0.65 -0.81 119.66 121.97 3b3m s GLN 693 Ca 0.35 -0.33 -0.25 0.00 -2.00 0.00 0.00 55.36 53.13 3b3m s GLN 693 Cb 0.19 -3.77 -0.08 0.00 0.80 0.00 0.00 33.01 30.14 3b3m s GLN 693 CO 0.29 -0.47 1.22 -1.21 -0.50 0.00 0.00 175.29 174.62 3b3m s GLU 694 N 2.03 4.00 0.07 1.67 2.02 -0.54 -4.98 118.70 122.95 3b3m s GLU 694 Ca 0.12 1.96 0.02 0.00 0.02 0.00 0.00 54.97 57.09 3b3m s GLU 694 Cb -0.16 -2.69 -0.03 0.00 0.10 0.00 0.00 34.13 31.34 3b3m s GLU 694 CO 0.11 -0.40 -0.07 -1.64 0.02 0.00 0.00 175.26 173.28 3b3m s MET 695 N -2.29 0.66 -0.14 1.61 -1.94 -1.26 -4.62 119.30 111.32 3b3m s MET 695 Ca 0.57 -1.02 0.01 0.00 -1.71 0.00 0.00 55.69 53.55 3b3m s MET 695 Cb -0.33 -0.25 -0.01 0.00 2.01 0.00 0.00 34.83 36.25 3b3m s MET 695 CO 0.42 0.02 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.78 3b3m s LEU 696 N -2.23 2.50 -0.24 -0.03 1.43 -1.25 -4.92 118.68 113.94 3b3m s LEU 696 Ca -0.00 -0.44 -0.07 0.00 -1.03 0.00 0.00 54.13 52.59 3b3m s LEU 696 Cb -0.03 -1.56 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 3b3m s LEU 696 CO -0.02 0.12 0.06 0.21 0.23 0.00 0.00 176.35 176.95 3b3m s ASN 697 N 0.59 5.13 0.15 2.29 3.04 -1.23 -1.11 114.94 123.81 3b3m s ASN 697 Ca -0.09 -0.18 -0.11 0.00 0.04 0.00 0.00 52.86 52.52 3b3m s ASN 697 Cb -0.16 -1.91 0.00 0.00 -1.54 0.00 0.00 41.25 37.64 3b3m s ASN 697 CO 0.03 -0.00 0.31 -0.72 -3.04 0.00 0.00 177.10 173.68 3b3m s TYR 698 N 1.41 0.21 -0.19 0.43 -0.85 -1.26 -4.97 117.35 112.13 3b3m s TYR 698 Ca 0.05 -0.59 -0.05 0.00 -0.52 0.00 0.00 57.07 55.97 3b3m s TYR 698 Cb -0.15 0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.20 3b3m s TYR 698 CO 0.03 -0.71 -0.01 1.03 -1.52 0.00 0.00 175.55 174.37 3b3m s ARG 699 N -3.92 3.60 0.14 -3.49 0.52 -1.26 -4.82 118.95 109.73 3b3m s ARG 699 Ca 0.12 -0.53 0.10 0.00 -0.52 0.00 0.00 55.73 54.90 3b3m s ARG 699 Cb 0.03 -3.04 -0.04 0.00 0.52 0.00 0.00 34.95 32.42 3b3m s ARG 699 CO -0.04 0.03 -0.21 -0.51 0.02 0.00 0.00 175.30 174.59 3b3m s LEU 700 N 0.93 2.56 0.15 2.53 1.43 -1.26 -2.79 118.68 122.23 3b3m s LEU 700 Ca 0.01 -0.68 0.08 0.00 -1.03 0.00 0.00 54.13 52.50 3b3m s LEU 700 Cb -0.14 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.65 3b3m s LEU 700 CO 0.02 0.16 -0.09 0.42 0.23 0.00 0.00 176.35 177.09 3b3m s THR 701 N -1.30 3.32 0.75 5.49 -4.23 -1.26 -4.24 115.64 114.17 3b3m s THR 701 Ca 0.18 -1.47 -0.15 0.00 -1.18 0.00 0.00 61.69 59.07 3b3m s THR 701 Cb -0.10 -2.61 0.03 0.00 1.34 0.00 0.00 72.50 71.17 3b3m s THR 701 CO 0.09 -0.02 1.07 -2.65 -0.54 0.00 0.00 174.62 172.58 3b3m n PRO 702 N 0.31 0.46 -3.71 3.99 -0.02 -1.26 -5.01 135.00 129.75 3b3m n PRO 702 Ca -0.12 0.22 -0.10 0.00 -2.02 0.00 0.00 63.50 61.48 3b3m n PRO 702 Cb 0.54 -2.32 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 3b3m n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3b3m s SER 703 N -1.77 -0.21 -0.20 2.55 1.04 -0.73 -3.87 113.70 110.52 3b3m s SER 703 Ca 0.74 -0.45 -0.08 0.00 0.48 0.00 0.00 55.95 56.64 3b3m s SER 703 Cb -0.33 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 3b3m s SER 703 CO 0.50 -0.94 0.09 -0.36 0.98 0.00 0.00 173.24 173.51 3b3m s PHE 704 N -3.85 3.27 0.19 5.02 0.40 -1.26 -0.78 117.98 120.98 3b3m s PHE 704 Ca 0.07 0.10 0.08 0.00 -0.60 0.00 0.00 56.93 56.58 3b3m s PHE 704 Cb 0.01 -2.13 -0.04 0.00 0.51 0.00 0.00 43.02 41.36 3b3m s PHE 704 CO -0.07 0.12 -0.17 -1.21 0.70 0.00 0.00 175.22 174.60 3b3m s GLU 705 N 0.57 1.33 0.69 0.44 0.41 0.94 -4.92 118.70 118.16 3b3m s GLU 705 Ca 0.05 -1.52 -0.11 0.00 -0.41 0.00 0.00 54.97 52.98 3b3m s GLU 705 Cb -0.13 -1.27 0.01 0.00 -1.78 0.00 0.00 34.13 30.97 3b3m s GLU 705 CO 0.01 0.24 1.08 0.71 -0.49 0.00 0.00 175.26 176.80 3b3m s TYR 706 N -2.51 3.35 0.04 1.61 4.12 -1.26 -0.02 117.35 122.67 3b3m s TYR 706 Ca 0.20 1.04 -0.18 0.00 0.02 0.00 0.00 57.07 58.15 3b3m s TYR 706 Cb -0.03 -3.02 0.04 0.00 -1.52 0.00 0.00 41.96 37.42 3b3m s TYR 706 CO 0.07 -1.12 0.42 1.14 0.02 0.00 0.00 175.55 176.09 3b3m s GLN 707 N -5.32 0.91 0.32 -0.62 -2.07 -1.26 -4.70 119.66 106.92 3b3m s GLN 707 Ca 0.58 -0.33 -0.29 0.00 -1.82 0.00 0.00 55.36 53.50 3b3m s GLN 707 Cb -0.11 0.41 -0.12 0.00 -1.09 0.00 0.00 33.01 32.10 3b3m s GLN 707 CO 0.51 -0.31 1.38 -2.30 -1.32 0.00 0.00 175.29 173.26 3b3m n PRO 708 N 0.57 2.27 -1.70 9.60 -0.02 -1.26 -4.90 135.00 139.55 3b3m n PRO 708 Ca -0.19 0.80 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 3b3m n PRO 708 Cb 0.59 -2.44 -0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3b3m n PRO 708 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3b3m n ASP 709 N 1.15 2.78 -0.22 2.55 8.00 -1.26 -4.88 116.55 124.67 3b3m n ASP 709 Ca 0.06 1.19 -0.02 0.00 0.71 0.00 0.00 54.79 56.73 3b3m n ASP 709 Cb 0.36 -1.49 0.17 0.00 -0.02 0.00 0.00 41.12 40.14 3b3m n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 3b3m h PRO 710 N 2.48 1.02 0.00 -0.24 0.13 -1.90 -2.75 132.00 130.74 3b3m h PRO 710 Ca -0.47 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 3b3m h PRO 710 Cb 1.28 -0.19 0.00 0.00 0.13 0.00 0.00 31.00 32.22 3b3m h PRO 710 CO 0.62 0.78 0.00 -2.67 -0.23 0.00 0.00 178.00 176.50 3b3m n TRP 711 N -4.34 0.00 -0.52 1.56 2.14 -1.26 0.04 117.44 115.07 3b3m n TRP 711 Ca 0.07 0.00 0.06 0.00 2.07 0.00 0.00 57.50 59.70 3b3m n TRP 711 Cb 0.13 -0.17 0.16 0.00 -0.81 0.00 0.00 31.31 30.62 3b3m n TRP 711 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 3b3m n ASN 712 N -1.17 2.99 0.00 -0.67 3.02 -1.04 -4.61 115.26 113.79 3b3m n ASN 712 Ca 0.05 -2.46 0.00 0.00 -0.03 0.00 0.00 54.58 52.14 3b3m n ASN 712 Cb 0.05 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 3b3m n ASN 712 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3b3m n THR 713 N -0.23 0.00 -2.37 3.41 -1.04 -0.03 -5.00 114.28 109.01 3b3m n THR 713 Ca 0.13 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.72 3b3m n THR 713 Cb 0.57 0.19 -0.03 0.00 -1.82 0.00 0.00 70.33 69.24 3b3m n THR 713 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3b3m s HIS 714 N 0.00 3.35 -0.52 -1.42 5.04 0.11 -5.00 115.29 116.84 3b3m s HIS 714 Ca 0.00 1.21 -0.16 0.00 -1.54 0.00 0.00 55.06 54.56 3b3m s HIS 714 Cb 0.00 -3.48 0.11 0.00 0.04 0.00 0.00 32.58 29.25 3b3m s HIS 714 CO 0.00 -1.53 0.49 0.14 -2.34 0.00 0.00 174.74 171.50 3b3m s VAL 715 N 1.26 5.17 -2.00 0.89 -7.23 -1.26 -4.99 120.40 112.24 3b3m s VAL 715 Ca 0.60 -1.28 0.14 0.00 -1.81 0.00 0.00 61.98 59.62 3b3m s VAL 715 Cb -0.30 -4.29 0.39 0.00 0.56 0.00 0.00 36.38 32.74 3b3m s VAL 715 CO 0.29 -0.80 1.24 0.79 -0.31 0.00 0.00 175.10 176.31