#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2u s PHE 300 N 0.00 -0.52 -0.07 2.89 0.40 -1.26 -4.87 117.98 114.55 1k2u s PHE 300 Ca 0.00 -0.06 -0.02 0.00 -0.60 0.00 0.00 56.93 56.25 1k2u s PHE 300 Cb 0.00 -0.41 -0.04 0.00 0.51 0.00 0.00 43.02 43.09 1k2u s PHE 300 CO 0.00 -0.90 0.05 -0.51 0.70 0.00 0.00 175.22 174.55 1k2u s LEU 301 N 2.38 3.80 0.14 -0.37 1.43 -1.07 -4.95 118.68 120.04 1k2u s LEU 301 Ca 0.09 0.19 0.07 0.00 -1.03 0.00 0.00 54.13 53.45 1k2u s LEU 301 Cb -0.14 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 1k2u s LEU 301 CO -0.31 0.35 -0.02 -0.54 0.23 0.00 0.00 176.35 176.07 1k2u s LYS 302 N -1.16 2.40 -0.07 1.70 1.02 -1.26 0.12 119.74 122.48 1k2u s LYS 302 Ca 0.16 -1.02 0.00 0.00 0.02 0.00 0.00 55.97 55.14 1k2u s LYS 302 Cb -0.12 -2.40 0.02 0.00 -0.52 0.00 0.00 37.83 34.82 1k2u s LYS 302 CO 0.06 0.49 -0.06 0.08 -0.92 0.00 0.00 175.35 174.99 1k2u s VAL 303 N -1.53 0.79 -0.09 3.17 1.01 0.94 -4.94 120.40 119.75 1k2u s VAL 303 Ca 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 1k2u s VAL 303 Cb -0.10 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.44 1k2u s VAL 303 CO 0.18 0.30 -0.04 -0.75 0.00 0.00 0.00 175.10 174.79 1k2u s LYS 304 N 1.28 2.97 -0.29 2.72 2.20 -1.26 -0.63 119.74 126.73 1k2u s LYS 304 Ca -0.04 -0.49 -0.13 0.00 -0.36 0.00 0.00 55.97 54.95 1k2u s LYS 304 Cb -0.14 -2.71 -0.04 0.00 -1.51 0.00 0.00 37.83 33.43 1k2u s LYS 304 CO -0.02 0.61 0.27 1.21 -0.36 0.00 0.00 175.35 177.05 1k2u s ASN 305 N -0.65 6.11 0.00 1.43 3.84 -0.19 -2.42 114.94 123.05 1k2u s ASN 305 Ca 0.10 -0.01 0.22 0.00 0.21 0.00 0.00 52.86 53.38 1k2u s ASN 305 Cb -0.12 -2.16 1.33 0.00 -0.55 0.00 0.00 41.25 39.76 1k2u s ASN 305 CO 0.02 -0.14 1.77 0.79 -2.79 0.00 0.00 177.10 176.74 1k2u n TRP 306 N 5.18 0.00 -0.10 0.43 7.02 0.14 0.08 117.44 130.19 1k2u n TRP 306 Ca -0.12 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.25 1k2u n TRP 306 Cb 0.51 0.00 -0.15 0.00 -2.42 0.00 0.00 31.31 29.25 1k2u n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1k2u n GLU 307 N -0.91 0.74 0.00 -0.99 2.13 -1.26 -4.56 120.64 115.79 1k2u n GLU 307 Ca 0.17 0.03 0.01 0.00 0.66 0.00 0.00 57.16 58.03 1k2u n GLU 307 Cb 0.08 -1.51 0.01 0.00 0.27 0.00 0.00 31.44 30.29 1k2u n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1k2u n THR 308 N -2.86 0.00 0.00 6.31 -2.24 -1.20 -5.00 114.28 109.30 1k2u n THR 308 Ca -0.35 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1k2u n THR 308 Cb 1.10 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 70.38 1k2u n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k2u n ASP 309 N -0.09 0.00 -4.62 3.42 8.00 0.11 -4.94 116.55 118.43 1k2u n ASP 309 Ca 0.01 0.00 -0.50 0.00 0.71 0.00 0.00 54.79 55.01 1k2u n ASP 309 Cb 0.06 -0.64 -0.05 0.00 -0.02 0.00 0.00 41.12 40.47 1k2u n ASP 309 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1k2u n VAL 310 N -1.80 0.02 -4.93 2.53 0.31 -1.24 -4.55 118.33 108.67 1k2u n VAL 310 Ca 0.00 -0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 1k2u n VAL 310 Cb 0.00 -1.10 -0.14 0.00 -0.91 0.00 0.00 33.84 31.69 1k2u n VAL 310 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1k2u s VAL 311 N 0.78 2.87 0.11 2.52 1.01 -1.26 -1.02 120.40 125.40 1k2u s VAL 311 Ca 0.83 -0.77 0.09 0.00 0.00 0.00 0.00 61.98 62.13 1k2u s VAL 311 Cb -0.86 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1k2u s VAL 311 CO 0.44 0.56 -0.23 -0.76 0.00 0.00 0.00 175.10 175.11 1k2u s LEU 312 N -0.26 2.30 -0.12 3.92 1.43 0.20 -4.94 118.68 121.22 1k2u s LEU 312 Ca 0.01 -0.70 -0.03 0.00 -1.03 0.00 0.00 54.13 52.37 1k2u s LEU 312 Cb -0.13 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 1k2u s LEU 312 CO 0.03 0.11 0.01 -0.89 0.23 0.00 0.00 176.35 175.84 1k2u s THR 313 N -1.10 4.36 -0.15 5.49 2.01 -1.26 -0.04 115.64 124.94 1k2u s THR 313 Ca 0.10 -0.21 -0.03 0.00 0.31 0.00 0.00 61.69 61.85 1k2u s THR 313 Cb -0.10 -2.87 -0.02 0.00 0.01 0.00 0.00 72.50 69.52 1k2u s THR 313 CO 0.05 0.56 -0.06 -0.62 -0.69 0.00 0.00 174.62 173.85 1k2u s ASP 314 N -0.45 4.52 0.00 3.53 -1.08 0.32 -4.57 116.67 118.94 1k2u s ASP 314 Ca 0.08 -0.21 0.00 0.00 -0.52 0.00 0.00 52.55 51.90 1k2u s ASP 314 Cb -0.12 -1.73 0.00 0.00 -1.46 0.00 0.00 42.92 39.61 1k2u s ASP 314 CO 0.02 0.15 0.00 0.35 0.52 0.00 0.00 175.17 176.21 1k2u n THR 315 N 3.65 0.00 -0.15 1.71 -2.24 0.64 -2.58 114.28 115.31 1k2u n THR 315 Ca -0.18 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.76 1k2u n THR 315 Cb 0.52 0.17 0.51 0.00 -2.10 0.00 0.00 70.33 69.44 1k2u n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1k2u h LEU 316 N 0.00 0.37 -2.36 3.22 6.46 -1.56 -0.67 115.31 120.77 1k2u h LEU 316 Ca 0.00 0.02 0.03 0.00 -0.12 0.00 0.00 57.88 57.81 1k2u h LEU 316 Cb 0.12 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 39.99 1k2u h LEU 316 CO 0.00 0.20 0.14 1.12 -0.62 0.00 0.00 178.44 179.28 1k2u h HIS 317 N 0.40 0.00 0.00 1.25 2.07 -1.85 -1.10 115.15 115.92 1k2u h HIS 317 Ca 0.36 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.88 1k2u h HIS 317 Cb 0.84 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.82 1k2u h HIS 317 CO -0.00 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.14 1k2u n LEU 318 N -3.66 0.19 -1.74 6.12 4.77 -0.26 -0.92 117.00 121.51 1k2u n LEU 318 Ca -0.00 0.58 0.04 0.00 -0.03 0.00 0.00 56.01 56.59 1k2u n LEU 318 Cb 0.24 -0.59 0.35 0.00 -2.33 0.00 0.00 43.42 41.10 1k2u n LEU 318 CO 0.25 -0.57 0.89 0.29 -1.33 0.00 0.00 177.39 176.92 1k2u n LYS 319 N -1.75 4.20 -2.46 3.23 5.02 -0.42 -4.98 118.16 121.01 1k2u n LYS 319 Ca 0.00 -3.10 -0.42 0.00 -2.02 0.00 0.00 58.31 52.78 1k2u n LYS 319 Cb 0.06 -2.18 -0.03 0.00 -0.02 0.00 0.00 35.03 32.86 1k2u n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1k2u s SER 320 N -1.10 7.16 0.00 4.39 0.15 -0.10 -4.91 113.70 119.29 1k2u s SER 320 Ca 0.53 2.06 0.00 0.00 0.70 0.00 0.00 55.95 59.23 1k2u s SER 320 Cb 0.41 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.13 1k2u s SER 320 CO 0.14 -0.36 0.00 0.35 1.20 0.00 0.00 173.24 174.57 1k2u n THR 321 N 3.18 0.00 -0.98 6.45 -2.24 -1.22 -5.03 114.28 114.44 1k2u n THR 321 Ca 0.06 0.36 -0.30 0.00 -2.27 0.00 0.00 64.05 61.90 1k2u n THR 321 Cb 0.46 -1.34 0.16 0.00 -2.10 0.00 0.00 70.33 67.51 1k2u n THR 321 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1k2u s LEU 322 N -4.36 2.31 0.38 3.22 1.43 -1.26 -5.04 118.68 115.35 1k2u s LEU 322 Ca 0.00 1.73 -0.03 0.00 -1.03 0.00 0.00 54.13 54.80 1k2u s LEU 322 Cb 0.00 -4.11 -0.04 0.00 0.03 0.00 0.00 46.19 42.07 1k2u s LEU 322 CO 0.00 -2.91 0.63 -1.61 0.23 0.00 0.00 176.35 172.69 1k2u s GLU 323 N -4.78 3.55 0.09 1.70 2.02 -1.26 -4.61 118.70 115.41 1k2u s GLU 323 Ca 0.65 -0.07 0.23 0.00 0.02 0.00 0.00 54.97 55.80 1k2u s GLU 323 Cb -0.20 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.44 1k2u s GLU 323 CO 0.58 0.05 0.94 0.25 0.02 0.00 0.00 175.26 177.10 1k2u n THR 324 N -1.73 0.30 0.00 3.63 -2.24 -1.26 -4.93 114.28 108.06 1k2u n THR 324 Ca -0.02 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1k2u n THR 324 Cb 0.55 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.75 1k2u n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k2u n GLY 325 N 1.28 0.90 3.89 3.38 0.00 -1.26 -4.83 105.19 108.55 1k2u n GLY 325 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1k2u n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2u n THR 327 N 0.75 0.00 0.20 0.00 -2.24 -0.17 -5.00 114.28 107.83 1k2u n THR 327 Ca -0.08 -0.41 0.10 0.00 -2.27 0.00 0.00 64.05 61.39 1k2u n THR 327 Cb 0.52 0.10 0.14 0.00 -2.10 0.00 0.00 70.33 68.99 1k2u n THR 327 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1k2u h GLU 328 N 0.00 0.00 0.00 -0.78 3.07 -2.05 -3.25 114.58 111.57 1k2u h GLU 328 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.79 1k2u h GLU 328 Cb 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1k2u h GLU 328 CO 0.11 0.08 -0.98 0.72 -1.40 0.00 0.00 179.01 177.54 1k2u n HIS 329 N -3.09 0.59 -3.69 4.33 8.25 -1.26 -4.95 115.22 115.40 1k2u n HIS 329 Ca 0.03 0.17 -0.14 0.00 -0.26 0.00 0.00 57.72 57.52 1k2u n HIS 329 Cb 0.56 -0.70 -0.08 0.00 1.12 0.00 0.00 29.99 30.89 1k2u n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1k2u s ILE 330 N -3.27 0.01 -0.21 1.59 2.07 -1.23 -5.14 121.20 115.03 1k2u s ILE 330 Ca 0.02 -0.11 -0.07 0.00 -1.41 0.00 0.00 60.65 59.09 1k2u s ILE 330 Cb 0.12 -0.73 -0.03 0.00 0.13 0.00 0.00 42.46 41.95 1k2u s ILE 330 CO 0.78 -0.06 0.04 0.00 -1.91 0.00 0.00 174.94 173.80 1k2u n MET 332 N 4.14 3.26 -0.27 0.00 0.00 -1.26 -4.78 117.12 118.20 1k2u n MET 332 Ca -0.17 -2.62 0.16 0.00 0.00 0.00 0.00 57.70 55.07 1k2u n MET 332 Cb 0.52 -1.68 0.31 0.00 0.00 0.00 0.00 33.22 32.37 1k2u n MET 332 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1k2u n GLY 333 N 0.69 -0.91 0.81 3.03 0.00 -1.26 -0.42 105.19 107.13 1k2u n GLY 333 Ca 0.21 0.73 0.07 0.00 0.00 0.00 0.00 46.02 47.03 1k2u n GLY 333 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2u n SER 334 N -5.00 2.36 -4.62 1.61 3.41 -1.26 -4.84 113.62 105.28 1k2u n SER 334 Ca 0.22 -1.98 -0.42 0.00 -0.26 0.00 0.00 58.87 56.43 1k2u n SER 334 Cb 0.74 -0.29 -0.04 0.00 -0.26 0.00 0.00 64.21 64.36 1k2u n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1k2u s ILE 335 N -1.43 4.73 0.55 -1.33 -1.09 0.44 -4.92 121.20 118.15 1k2u s ILE 335 Ca 0.30 1.40 0.35 0.00 -2.23 0.00 0.00 60.65 60.48 1k2u s ILE 335 Cb 0.16 -4.22 0.53 0.00 -1.58 0.00 0.00 42.46 37.35 1k2u s ILE 335 CO 0.21 -0.28 1.81 -0.03 -1.23 0.00 0.00 174.94 175.41 1k2u h MET 336 N 8.03 0.00 -0.76 2.79 4.05 -1.88 -3.37 114.93 123.78 1k2u h MET 336 Ca -0.23 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.28 1k2u h MET 336 Cb 1.09 0.00 -0.20 0.00 -0.80 0.00 0.00 31.60 31.68 1k2u h MET 336 CO 0.92 0.00 -0.27 -0.48 0.23 0.00 0.00 176.91 177.32 1k2u s LEU 337 N -8.24 -1.25 -0.02 3.39 0.05 -1.26 -5.17 118.68 106.18 1k2u s LEU 337 Ca -0.05 0.13 -0.05 0.00 0.05 0.00 0.00 54.13 54.22 1k2u s LEU 337 Cb 0.22 1.79 -0.03 0.00 -2.05 0.00 0.00 46.19 46.12 1k2u s LEU 337 CO 0.77 -0.23 0.39 -0.65 -0.55 0.00 0.00 176.35 176.08 1k2u h PRO 338 N 7.75 -0.16 0.00 1.48 0.11 -1.88 -3.54 132.00 135.75 1k2u h PRO 338 Ca -0.03 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.09 1k2u h PRO 338 Cb 1.19 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1k2u h PRO 338 CO 0.07 -0.11 0.00 2.41 -0.21 0.00 0.00 178.00 180.17 1k2u n THR 350 N -3.15 0.00 -0.30 -1.15 -1.04 -1.26 -5.01 114.28 102.36 1k2u n THR 350 Ca -0.02 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.10 1k2u n THR 350 Cb 0.06 0.00 0.22 0.00 -1.82 0.00 0.00 70.33 68.79 1k2u n THR 350 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1k2u n LYS 351 N -0.93 -0.07 -0.15 -2.82 5.02 -1.26 0.28 118.16 118.24 1k2u n LYS 351 Ca 0.00 1.31 -0.11 0.00 -2.02 0.00 0.00 58.31 57.49 1k2u n LYS 351 Cb 0.00 -2.05 -0.01 0.00 -0.02 0.00 0.00 35.03 32.95 1k2u n LYS 351 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1k2u h ASP 352 N 0.00 0.83 -0.10 4.39 3.32 -2.00 -2.57 116.42 120.28 1k2u h ASP 352 Ca 0.50 -0.35 -0.07 0.00 0.02 0.00 0.00 57.03 57.12 1k2u h ASP 352 Cb 0.96 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.29 1k2u h ASP 352 CO -0.84 0.99 -0.20 1.56 -1.72 0.00 0.00 179.24 179.04 1k2u h GLN 353 N 0.65 0.31 -0.56 3.56 4.20 0.16 -3.37 115.11 120.07 1k2u h GLN 353 Ca 0.11 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.57 1k2u h GLN 353 Cb 0.62 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 1k2u h GLN 353 CO 0.04 0.79 0.17 1.25 -0.67 0.00 0.00 178.83 180.41 1k2u h LEU 354 N -0.13 0.82 -0.30 1.46 5.85 0.41 -3.27 115.31 120.15 1k2u h LEU 354 Ca 0.00 -0.21 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1k2u h LEU 354 Cb 0.78 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1k2u h LEU 354 CO 0.04 0.81 0.09 0.15 -0.34 0.00 0.00 178.44 179.20 1k2u h PHE 355 N 0.78 0.49 -0.37 1.25 3.57 -1.61 -1.33 116.94 119.71 1k2u h PHE 355 Ca 0.18 -0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1k2u h PHE 355 Cb 0.29 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 1k2u h PHE 355 CO 0.02 0.50 0.06 -1.00 -2.23 0.00 0.00 178.31 175.66 1k2u h PRO 356 N 0.33 0.17 -0.70 6.41 0.13 -1.72 0.59 132.00 137.21 1k2u h PRO 356 Ca 0.10 -0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.29 1k2u h PRO 356 Cb 0.24 -0.04 -0.06 0.00 0.13 0.00 0.00 31.00 31.27 1k2u h PRO 356 CO -0.00 0.11 0.37 -0.07 -0.23 0.00 0.00 178.00 178.18 1k2u h LEU 357 N 0.17 0.53 -0.32 1.56 3.38 -1.58 0.23 115.31 119.28 1k2u h LEU 357 Ca 0.18 0.04 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1k2u h LEU 357 Cb 0.22 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1k2u h LEU 357 CO -0.25 0.33 0.20 0.00 0.09 0.00 0.00 178.44 178.81 1k2u h ALA 358 N 1.39 0.40 -0.43 1.53 0.00 -0.30 -1.81 119.26 120.04 1k2u h ALA 358 Ca 0.33 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1k2u h ALA 358 Cb 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1k2u h ALA 358 CO -0.22 -0.15 0.27 -0.22 0.00 0.00 0.00 179.25 178.94 1k2u h LYS 359 N 0.41 0.54 -0.35 0.00 3.64 -0.05 -0.44 116.57 120.33 1k2u h LYS 359 Ca 0.12 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.53 1k2u h LYS 359 Cb -0.04 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 31.60 1k2u h LYS 359 CO -0.03 0.36 -0.02 1.49 -2.27 0.00 0.00 179.45 178.97 1k2u h GLU 360 N 0.56 0.07 0.68 1.90 4.81 -0.66 0.85 114.58 122.79 1k2u h GLU 360 Ca 0.16 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.35 1k2u h GLU 360 Cb -0.04 -0.02 0.01 0.00 0.63 0.00 0.00 28.75 29.33 1k2u h GLU 360 CO -0.05 0.05 -0.33 0.35 -0.73 0.00 0.00 179.01 178.30 1k2u h PHE 361 N 0.07 -0.85 -0.96 0.92 3.57 -0.88 -2.07 116.94 116.74 1k2u h PHE 361 Ca 0.17 -0.02 0.13 0.00 3.53 0.00 0.00 57.97 61.78 1k2u h PHE 361 Cb 0.24 0.28 -0.08 0.00 2.79 0.00 0.00 35.95 39.18 1k2u h PHE 361 CO -0.26 -0.52 0.61 -0.07 -2.23 0.00 0.00 178.31 175.84 1k2u h LEU 362 N -0.96 0.82 0.04 0.59 3.38 -0.91 0.21 115.31 118.48 1k2u h LEU 362 Ca -0.09 0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1k2u h LEU 362 Cb 0.71 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1k2u h LEU 362 CO 0.15 0.41 -0.18 0.44 0.09 0.00 0.00 178.44 179.35 1k2u h ASP 363 N 0.86 -0.52 -0.09 -0.43 5.19 -0.61 0.46 116.42 121.28 1k2u h ASP 363 Ca 0.49 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.97 1k2u h ASP 363 Cb 0.61 0.21 -0.01 0.00 0.18 0.00 0.00 39.33 40.32 1k2u h ASP 363 CO -0.25 -0.25 0.04 1.56 -3.12 0.00 0.00 179.24 177.21 1k2u h GLN 364 N -0.32 0.09 0.03 3.56 4.20 -0.37 -0.66 115.11 121.63 1k2u h GLN 364 Ca 0.04 -0.01 0.03 0.00 0.06 0.00 0.00 58.65 58.77 1k2u h GLN 364 Cb 0.37 -0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.08 1k2u h GLN 364 CO -0.14 0.06 -0.43 -0.92 -0.67 0.00 0.00 178.83 176.73 1k2u h TYR 365 N 0.09 -1.22 -0.37 2.96 3.20 -0.24 0.22 116.97 121.61 1k2u h TYR 365 Ca 0.03 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 1k2u h TYR 365 Cb 0.01 0.53 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1k2u h TYR 365 CO -0.09 -0.51 0.19 1.88 -1.64 0.00 0.00 178.16 178.00 1k2u h TYR 366 N -0.60 0.49 -0.54 -3.82 -1.99 -0.81 -1.40 116.97 108.30 1k2u h TYR 366 Ca 0.04 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.75 1k2u h TYR 366 Cb 0.67 -0.16 -0.02 0.00 2.00 0.00 0.00 36.73 39.21 1k2u h TYR 366 CO -0.42 0.35 0.27 1.03 -0.00 0.00 0.00 178.16 179.39 1k2u h SER 367 N 0.51 0.69 0.11 3.88 0.87 -0.28 0.12 113.55 119.46 1k2u h SER 367 Ca 0.13 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1k2u h SER 367 Cb 0.03 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 1k2u h SER 367 CO -0.02 0.62 -0.17 0.77 -0.53 0.00 0.00 176.83 177.50 1k2u h SER 368 N 0.72 0.12 -0.53 6.23 4.64 0.07 -2.21 113.55 122.60 1k2u h SER 368 Ca 0.19 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1k2u h SER 368 Cb 0.10 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1k2u h SER 368 CO -0.02 0.31 0.00 2.30 -0.87 0.00 0.00 176.83 178.54 1k2u n ILE 369 N -4.28 1.47 -3.76 0.95 -5.35 -0.81 -4.94 119.36 102.65 1k2u n ILE 369 Ca -0.01 -0.94 -0.25 0.00 -0.27 0.00 0.00 62.75 61.27 1k2u n ILE 369 Cb 0.27 0.04 0.04 0.00 -1.74 0.00 0.00 39.64 38.26 1k2u n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1k2u n LYS 370 N 0.87 -5.69 -1.84 6.28 5.02 -0.73 -4.89 118.16 117.18 1k2u n LYS 370 Ca 0.21 0.65 0.02 0.00 -2.02 0.00 0.00 58.31 57.17 1k2u n LYS 370 Cb 0.74 -5.45 0.04 0.00 -0.02 0.00 0.00 35.03 30.35 1k2u n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1k2u n ARG 371 N -4.53 0.78 -2.04 1.97 5.12 0.35 -5.03 116.66 113.27 1k2u n ARG 371 Ca -0.12 -2.63 -0.42 0.00 -1.93 0.00 0.00 57.85 52.75 1k2u n ARG 371 Cb 0.60 -0.69 -0.03 0.00 -1.16 0.00 0.00 32.46 31.18 1k2u n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1k2u s PHE 372 N -1.52 2.25 0.00 -1.55 5.36 -1.18 -2.61 117.98 118.73 1k2u s PHE 372 Ca 0.33 0.36 0.00 0.00 -0.96 0.00 0.00 56.93 56.66 1k2u s PHE 372 Cb 0.37 -3.87 0.00 0.00 -0.34 0.00 0.00 43.02 39.18 1k2u s PHE 372 CO -0.12 -3.54 0.00 0.41 -1.46 0.00 0.00 175.22 170.52 1k2u n GLY 373 N 4.00 2.78 2.59 13.12 0.00 -1.26 -5.03 105.19 121.38 1k2u n GLY 373 Ca 0.16 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.45 1k2u n GLY 373 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2u n SER 374 N 0.80 -4.45 -0.23 1.61 3.41 -1.07 -4.29 113.62 109.38 1k2u n SER 374 Ca 0.00 0.11 -0.03 0.00 -0.26 0.00 0.00 58.87 58.69 1k2u n SER 374 Cb 0.00 -0.59 0.14 0.00 -0.26 0.00 0.00 64.21 63.50 1k2u n SER 374 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1k2u h LYS 375 N -0.86 1.06 -0.26 4.33 3.64 -1.96 -0.57 116.57 121.95 1k2u h LYS 375 Ca -0.37 -0.16 0.06 0.00 -1.27 0.00 0.00 60.65 58.91 1k2u h LYS 375 Cb 1.15 -0.19 -0.06 0.00 -0.41 0.00 0.00 32.23 32.71 1k2u h LYS 375 CO 0.19 0.83 -0.17 0.00 -2.27 0.00 0.00 179.45 178.04 1k2u h ALA 376 N 1.31 0.02 0.17 5.00 0.00 -1.91 1.23 119.26 125.07 1k2u h ALA 376 Ca 0.25 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.26 1k2u h ALA 376 Cb 0.14 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 1k2u h ALA 376 CO -0.03 -0.58 -0.24 1.25 0.00 0.00 0.00 179.25 179.66 1k2u h HIS 377 N -0.15 -0.63 -0.10 0.00 -0.00 -1.58 0.04 115.15 112.73 1k2u h HIS 377 Ca 0.14 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 1k2u h HIS 377 Cb 0.36 0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 28.02 1k2u h HIS 377 CO -0.34 -0.34 0.07 0.52 -0.00 0.00 0.00 177.93 177.83 1k2u h MET 378 N -0.47 0.13 -0.03 5.26 2.07 -0.39 -1.24 114.93 120.27 1k2u h MET 378 Ca 0.02 -0.01 0.03 0.00 -2.07 0.00 0.00 59.70 57.66 1k2u h MET 378 Cb 0.47 -0.03 -0.03 0.00 -1.87 0.00 0.00 31.60 30.14 1k2u h MET 378 CO -0.10 0.09 -0.13 -0.44 1.07 0.00 0.00 176.91 177.39 1k2u h ASP 379 N 0.13 -0.39 -1.00 1.22 3.32 0.16 -0.72 116.42 119.15 1k2u h ASP 379 Ca 0.04 0.06 0.10 0.00 0.02 0.00 0.00 57.03 57.25 1k2u h ASP 379 Cb -0.01 0.17 -0.08 0.00 0.22 0.00 0.00 39.33 39.63 1k2u h ASP 379 CO -0.01 -0.18 0.63 -0.09 -1.72 0.00 0.00 179.24 177.87 1k2u h ARG 380 N -0.21 1.02 -0.19 3.56 9.65 -0.86 0.25 114.38 127.61 1k2u h ARG 380 Ca 0.06 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1k2u h ARG 380 Cb 0.28 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 1k2u h ARG 380 CO -0.15 0.68 0.11 1.25 2.80 0.00 0.00 179.97 184.65 1k2u h LEU 381 N 1.05 0.23 -0.29 3.80 5.85 -0.32 -0.26 115.31 125.37 1k2u h LEU 381 Ca 0.47 -0.06 -0.04 0.00 0.84 0.00 0.00 57.88 59.09 1k2u h LEU 381 Cb 0.37 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 1k2u h LEU 381 CO -0.23 0.22 0.04 -0.08 -0.34 0.00 0.00 178.44 178.04 1k2u h GLU 382 N 0.21 0.49 -0.37 1.25 4.57 -0.29 0.67 114.58 121.11 1k2u h GLU 382 Ca 0.07 -0.14 0.08 0.00 -1.18 0.00 0.00 59.36 58.19 1k2u h GLU 382 Cb 0.04 -0.05 -0.08 0.00 -0.16 0.00 0.00 28.75 28.49 1k2u h GLU 382 CO -0.01 0.61 -0.17 1.49 -1.18 0.00 0.00 179.01 179.75 1k2u h GLU 383 N 0.30 -0.10 -0.22 1.92 4.81 -0.29 0.78 114.58 121.78 1k2u h GLU 383 Ca 0.09 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 1k2u h GLU 383 Cb 0.36 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1k2u h GLU 383 CO 0.01 -0.06 -0.01 0.28 -0.73 0.00 0.00 179.01 178.49 1k2u h VAL 384 N -0.10 1.26 -0.12 0.32 2.07 -0.96 0.85 116.25 119.58 1k2u h VAL 384 Ca 0.19 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.82 1k2u h VAL 384 Cb 0.38 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 1k2u h VAL 384 CO -0.44 0.29 -0.39 -1.13 0.02 0.00 0.00 177.57 175.92 1k2u h ASN 385 N 0.16 -1.21 -0.66 0.57 -1.24 0.15 0.36 115.58 113.72 1k2u h ASN 385 Ca 0.06 0.16 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 1k2u h ASN 385 Cb 0.43 0.50 -0.03 0.00 0.73 0.00 0.00 38.32 39.95 1k2u h ASN 385 CO 0.01 -0.41 0.38 0.11 -1.29 0.00 0.00 177.43 176.24 1k2u h LYS 386 N -0.47 0.91 -0.59 6.67 1.79 0.63 -1.28 116.57 124.24 1k2u h LYS 386 Ca 0.08 -0.09 -0.07 0.00 -2.18 0.00 0.00 60.65 58.39 1k2u h LYS 386 Cb 0.60 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 31.04 1k2u h LYS 386 CO -0.38 0.66 0.09 1.49 -1.08 0.00 0.00 179.45 180.23 1k2u h GLU 387 N 0.93 0.96 -0.41 3.15 4.81 0.75 -1.57 114.58 123.19 1k2u h GLU 387 Ca 0.24 -0.24 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 1k2u h GLU 387 Cb -0.00 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1k2u h GLU 387 CO -0.04 0.90 -0.21 0.82 -0.73 0.00 0.00 179.01 179.74 1k2u h ILE 388 N 0.91 1.28 -0.02 2.32 2.04 0.26 0.82 117.51 125.11 1k2u h ILE 388 Ca 0.18 -1.36 -0.02 0.00 1.00 0.00 0.00 64.86 64.66 1k2u h ILE 388 Cb 0.41 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1k2u h ILE 388 CO 0.01 0.46 -0.10 -0.08 0.00 0.00 0.00 178.15 178.44 1k2u h GLU 389 N 0.69 0.03 0.00 2.37 4.57 -0.95 0.30 114.58 121.60 1k2u h GLU 389 Ca 0.09 -0.00 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1k2u h GLU 389 Cb 0.78 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.36 1k2u h GLU 389 CO 0.06 0.14 -0.92 0.45 -1.18 0.00 0.00 179.01 177.56 1k2u n SER 390 N -4.40 1.88 -0.50 1.04 2.88 -0.62 -4.54 113.62 109.36 1k2u n SER 390 Ca -0.02 0.47 0.09 0.00 -1.33 0.00 0.00 58.87 58.08 1k2u n SER 390 Cb 0.18 -0.82 0.35 0.00 -0.75 0.00 0.00 64.21 63.17 1k2u n SER 390 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1k2u n THR 391 N -4.51 0.23 -1.41 2.46 -2.24 0.28 -4.91 114.28 104.18 1k2u n THR 391 Ca -0.15 -0.32 -0.14 0.00 -2.27 0.00 0.00 64.05 61.16 1k2u n THR 391 Cb 0.45 0.27 -0.06 0.00 -2.10 0.00 0.00 70.33 68.88 1k2u n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1k2u n SER 392 N 0.22 -3.90 -1.04 3.42 3.41 0.11 -4.77 113.62 111.07 1k2u n SER 392 Ca 0.15 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1k2u n SER 392 Cb 0.29 -3.55 0.00 0.00 -0.26 0.00 0.00 64.21 60.69 1k2u n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1k2u n THR 393 N -1.96 0.00 -3.83 6.66 5.66 -1.24 -4.79 114.28 114.78 1k2u n THR 393 Ca -0.14 -0.00 -0.07 0.00 -3.05 0.00 0.00 64.05 60.79 1k2u n THR 393 Cb 0.48 0.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 1k2u n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1k2u s TYR 394 N -3.10 -0.05 0.03 1.09 -0.85 -1.26 -3.28 117.35 109.93 1k2u s TYR 394 Ca 0.00 -0.47 0.09 0.00 -0.52 0.00 0.00 57.07 56.17 1k2u s TYR 394 Cb -0.00 0.75 -0.03 0.00 0.38 0.00 0.00 41.96 43.06 1k2u s TYR 394 CO -0.00 -1.28 -0.25 -0.65 -1.52 0.00 0.00 175.55 171.85 1k2u s GLN 395 N -3.10 1.92 0.22 -3.49 -1.52 -1.26 -5.05 119.66 107.39 1k2u s GLN 395 Ca 0.14 -1.04 -0.23 0.00 -1.95 0.00 0.00 55.36 52.27 1k2u s GLN 395 Cb -0.05 -2.02 -0.09 0.00 -0.22 0.00 0.00 33.01 30.63 1k2u s GLN 395 CO 0.08 0.53 0.80 -0.51 -0.25 0.00 0.00 175.29 175.93 1k2u s LEU 396 N -1.09 4.44 0.63 2.90 2.01 -1.26 -5.05 118.68 121.27 1k2u s LEU 396 Ca 0.12 1.61 -0.14 0.00 0.01 0.00 0.00 54.13 55.72 1k2u s LEU 396 Cb -0.10 -3.58 -0.02 0.00 0.01 0.00 0.00 46.19 42.50 1k2u s LEU 396 CO 0.02 0.08 1.06 -0.54 1.01 0.00 0.00 176.35 177.97 1k2u s LYS 397 N -1.67 3.19 0.21 1.70 -0.14 -1.26 -4.79 119.74 116.98 1k2u s LYS 397 Ca 0.42 1.10 -0.16 0.00 -1.36 0.00 0.00 55.97 55.96 1k2u s LYS 397 Cb -0.20 -2.02 0.20 0.00 -1.68 0.00 0.00 37.83 34.14 1k2u s LYS 397 CO 0.24 -0.90 1.60 -0.44 -0.76 0.00 0.00 175.35 175.08 1k2u h ASP 398 N 0.00 -0.89 -0.99 2.83 5.19 -2.00 -0.39 116.42 120.17 1k2u h ASP 398 Ca -0.46 0.22 0.16 0.00 -0.62 0.00 0.00 57.03 56.33 1k2u h ASP 398 Cb 1.21 0.50 -0.09 0.00 0.18 0.00 0.00 39.33 41.13 1k2u h ASP 398 CO 0.57 -0.27 0.62 0.71 -3.12 0.00 0.00 179.24 177.76 1k2u h THR 399 N -0.08 0.81 0.00 0.35 1.35 -2.00 -1.00 112.91 112.35 1k2u h THR 399 Ca 0.29 -0.29 -0.13 0.00 -0.55 0.00 0.00 66.41 65.72 1k2u h THR 399 Cb 0.53 -0.12 -0.02 0.00 -1.73 0.00 0.00 68.15 66.82 1k2u h THR 399 CO -0.70 0.16 -0.61 -0.33 -0.25 0.00 0.00 175.52 173.78 1k2u h GLU 400 N 0.85 0.00 0.02 4.72 5.08 -1.46 -2.29 114.58 121.51 1k2u h GLU 400 Ca 0.53 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.89 1k2u h GLU 400 Cb 0.71 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.96 1k2u h GLU 400 CO -0.31 0.61 -0.01 1.25 -1.00 0.00 0.00 179.01 179.56 1k2u h LEU 401 N 0.00 -0.02 -0.23 1.33 5.85 -0.33 0.90 115.31 122.82 1k2u h LEU 401 Ca -0.01 -0.55 0.05 0.00 0.84 0.00 0.00 57.88 58.22 1k2u h LEU 401 Cb 1.18 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.17 1k2u h LEU 401 CO 0.08 0.54 -0.07 0.40 -0.34 0.00 0.00 178.44 179.05 1k2u h ILE 402 N -0.60 0.73 -0.17 4.05 2.04 -1.34 0.25 117.51 122.48 1k2u h ILE 402 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1k2u h ILE 402 Cb 0.57 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1k2u h ILE 402 CO 0.00 0.00 0.11 0.22 0.00 0.00 0.00 178.15 178.48 1k2u h TYR 403 N -0.03 0.22 -0.39 1.37 3.20 -1.45 -1.70 116.97 118.20 1k2u h TYR 403 Ca 0.11 0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.05 1k2u h TYR 403 Cb 0.20 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.34 1k2u h TYR 403 CO -0.25 0.15 0.05 0.78 -1.64 0.00 0.00 178.16 177.26 1k2u h GLY 404 N 0.22 0.44 0.87 1.82 0.00 -0.17 -0.84 103.07 105.41 1k2u h GLY 404 Ca 0.06 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 1k2u h GLY 404 CO -0.01 -0.05 0.00 0.00 0.00 0.00 0.00 176.54 176.48 1k2u h ALA 405 N 1.31 0.38 -0.66 3.60 0.00 -0.83 -1.23 119.26 121.82 1k2u h ALA 405 Ca 0.19 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1k2u h ALA 405 Cb 0.24 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1k2u h ALA 405 CO -0.27 0.12 0.41 0.87 0.00 0.00 0.00 179.25 180.37 1k2u h LYS 406 N 0.28 0.88 0.00 0.00 1.57 -1.09 -2.06 116.57 116.16 1k2u h LYS 406 Ca 0.08 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1k2u h LYS 406 Cb 0.42 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1k2u h LYS 406 CO 0.01 0.61 -0.06 0.45 -0.57 0.00 0.00 179.45 179.89 1k2u h HIS 407 N 0.90 0.00 -0.31 -1.35 3.86 -0.96 -1.20 115.15 116.10 1k2u h HIS 407 Ca 0.24 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.28 1k2u h HIS 407 Cb -0.05 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 1k2u h HIS 407 CO 0.00 0.06 -0.48 0.00 0.86 0.00 0.00 177.93 178.37 1k2u h ALA 408 N 1.94 0.56 -0.06 2.45 0.00 -0.52 -1.68 119.26 121.95 1k2u h ALA 408 Ca -0.00 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1k2u h ALA 408 Cb 0.93 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1k2u h ALA 408 CO 0.01 0.68 -0.00 2.35 0.00 0.00 0.00 179.25 182.29 1k2u h TRP 409 N 0.66 0.12 -0.74 0.00 7.01 -1.30 -2.72 115.95 118.97 1k2u h TRP 409 Ca 0.03 -0.02 0.18 0.00 2.11 0.00 0.00 58.89 61.19 1k2u h TRP 409 Cb 1.07 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 28.06 1k2u h TRP 409 CO 0.06 0.38 0.51 -0.09 -2.79 0.00 0.00 178.44 176.51 1k2u h ARG 410 N -0.18 0.23 -0.03 2.65 2.43 -1.09 -0.43 114.38 117.95 1k2u h ARG 410 Ca 0.02 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1k2u h ARG 410 Cb 0.34 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 1k2u h ARG 410 CO 0.00 0.15 0.00 0.09 -1.51 0.00 0.00 179.97 178.70 1k2u n ASN 411 N -4.42 1.98 -4.56 -3.80 3.02 -0.64 -4.82 115.26 102.02 1k2u n ASN 411 Ca 0.14 -1.66 -0.30 0.00 -0.03 0.00 0.00 54.58 52.73 1k2u n ASN 411 Cb 0.64 -0.01 -0.05 0.00 -0.61 0.00 0.00 39.78 39.76 1k2u n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k2u s ALA 412 N -1.98 1.90 -0.85 5.41 0.00 -0.17 -4.73 121.76 121.33 1k2u s ALA 412 Ca 0.35 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.58 1k2u s ALA 412 Cb 0.21 -4.56 0.00 0.00 0.00 0.00 0.00 23.12 18.76 1k2u s ALA 412 CO 0.32 -4.60 0.83 -1.13 0.00 0.00 0.00 175.76 171.17 1k2u n SER 413 N 12.97 0.00 -0.05 0.00 3.41 -1.26 -1.09 113.62 127.60 1k2u n SER 413 Ca 0.39 0.34 0.08 0.00 -0.26 0.00 0.00 58.87 59.42 1k2u n SER 413 Cb 0.48 -0.34 -0.08 0.00 -0.26 0.00 0.00 64.21 64.00 1k2u n SER 413 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1k2u n ARG 414 N -1.33 1.43 -2.90 4.33 1.74 -1.26 0.13 116.66 118.80 1k2u n ARG 414 Ca 0.00 -0.11 -0.41 0.00 -0.77 0.00 0.00 57.85 56.56 1k2u n ARG 414 Cb 0.10 -1.30 -0.04 0.00 -1.02 0.00 0.00 32.46 30.20 1k2u n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k2u h VAL 416 N 5.17 0.00 -0.81 0.00 3.04 -1.91 -3.35 116.25 118.40 1k2u h VAL 416 Ca -0.30 -0.81 -0.36 0.00 -1.01 0.00 0.00 66.70 64.22 1k2u h VAL 416 Cb 1.13 1.65 -0.21 0.00 -2.01 0.00 0.00 31.29 31.85 1k2u h VAL 416 CO 0.83 0.00 0.41 0.61 -1.01 0.00 0.00 177.57 178.41 1k2u n GLY 417 N 1.20 4.25 0.00 3.17 0.00 -1.26 -4.33 105.19 108.21 1k2u n GLY 417 Ca 0.03 -1.08 0.03 0.00 0.00 0.00 0.00 46.02 45.01 1k2u n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k2u n ARG 418 N -0.78 0.05 0.27 1.61 1.74 -1.26 -2.15 116.66 116.14 1k2u n ARG 418 Ca 0.49 0.30 0.18 0.00 -0.77 0.00 0.00 57.85 58.06 1k2u n ARG 418 Cb 1.47 -1.50 0.96 0.00 -1.02 0.00 0.00 32.46 32.37 1k2u n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1k2u h ILE 419 N 0.00 0.00 -0.06 0.55 2.10 -1.90 0.36 117.51 118.57 1k2u h ILE 419 Ca 0.00 -0.05 0.00 0.00 1.08 0.00 0.00 64.86 65.89 1k2u h ILE 419 Cb 0.09 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 36.69 1k2u h ILE 419 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 1k2u n GLN 420 N -2.79 2.00 -0.34 2.19 1.13 -0.91 -4.70 117.38 113.95 1k2u n GLN 420 Ca -0.02 -1.46 0.12 0.00 -1.94 0.00 0.00 57.00 53.70 1k2u n GLN 420 Cb 0.08 -1.47 0.25 0.00 0.11 0.00 0.00 30.24 29.21 1k2u n GLN 420 CO 0.00 0.00 0.00 -2.67 -1.44 0.00 0.00 177.06 172.95 1k2u n TRP 421 N 0.76 0.55 0.18 1.08 4.27 0.13 -1.29 117.44 123.11 1k2u n TRP 421 Ca 0.17 1.19 0.04 0.00 -3.89 0.00 0.00 57.50 55.01 1k2u n TRP 421 Cb 0.47 -1.19 0.29 0.00 -1.36 0.00 0.00 31.31 29.52 1k2u n TRP 421 CO 0.00 0.00 0.00 0.66 -2.29 0.00 0.00 177.69 176.06 1k2u h SER 422 N 0.00 0.00 -1.21 -0.67 4.64 -1.84 -3.36 113.55 111.12 1k2u h SER 422 Ca 0.56 0.00 -0.74 0.00 -0.47 0.00 0.00 61.79 61.14 1k2u h SER 422 Cb 1.08 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.04 1k2u h SER 422 CO -0.95 0.42 2.15 1.17 -0.87 0.00 0.00 176.83 178.75 1k2u n LYS 423 N -3.57 3.41 -4.34 4.77 4.81 -0.41 -4.91 118.16 117.92 1k2u n LYS 423 Ca -0.00 -3.38 -0.28 0.00 -0.87 0.00 0.00 58.31 53.78 1k2u n LYS 423 Cb 0.54 -3.05 -0.17 0.00 0.02 0.00 0.00 35.03 32.37 1k2u n LYS 423 CO 0.00 0.00 0.00 -1.17 1.17 0.00 0.00 177.40 177.40 1k2u s LEU 424 N 0.85 1.62 -0.05 3.14 2.96 -1.26 -4.59 118.68 121.35 1k2u s LEU 424 Ca 0.42 -0.39 -0.27 0.00 -0.22 0.00 0.00 54.13 53.67 1k2u s LEU 424 Cb 0.08 -1.01 -0.03 0.00 0.50 0.00 0.00 46.19 45.73 1k2u s LEU 424 CO -0.01 -0.01 0.88 -1.58 -1.32 0.00 0.00 176.35 174.31 1k2u s GLN 425 N 1.11 4.47 -0.17 1.98 2.00 -0.96 -4.98 119.66 123.11 1k2u s GLN 425 Ca -0.05 1.20 -0.03 0.00 -2.00 0.00 0.00 55.36 54.49 1k2u s GLN 425 Cb -0.14 -3.48 -0.02 0.00 0.80 0.00 0.00 33.01 30.17 1k2u s GLN 425 CO -0.03 -0.08 -0.07 0.08 -0.50 0.00 0.00 175.29 174.69 1k2u s VAL 426 N 1.21 3.45 -0.28 1.34 1.01 -1.26 -1.42 120.40 124.46 1k2u s VAL 426 Ca 0.45 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.88 1k2u s VAL 426 Cb -0.19 -2.51 0.01 0.00 0.00 0.00 0.00 36.38 33.69 1k2u s VAL 426 CO 0.22 0.48 0.03 -0.36 0.00 0.00 0.00 175.10 175.46 1k2u s PHE 427 N 0.72 3.12 -0.67 5.22 0.08 0.41 -4.99 117.98 121.86 1k2u s PHE 427 Ca -0.03 -1.18 -0.27 0.00 0.12 0.00 0.00 56.93 55.56 1k2u s PHE 427 Cb -0.15 -2.18 0.03 0.00 -0.57 0.00 0.00 43.02 40.15 1k2u s PHE 427 CO 0.02 -0.63 1.30 0.34 -0.10 0.00 0.00 175.22 176.15 1k2u s ASP 428 N 1.44 6.19 -0.29 1.36 -1.08 -1.26 -1.22 116.67 121.81 1k2u s ASP 428 Ca 0.02 -0.20 0.11 0.00 -0.52 0.00 0.00 52.55 51.96 1k2u s ASP 428 Cb -0.17 -2.56 0.62 0.00 -1.46 0.00 0.00 42.92 39.35 1k2u s ASP 428 CO -0.00 -1.76 1.62 0.00 0.52 0.00 0.00 175.17 175.55 1k2u n ALA 429 N 9.31 4.17 0.37 3.66 0.00 -0.13 -4.62 120.51 133.26 1k2u n ALA 429 Ca 0.06 -2.60 0.11 0.00 0.00 0.00 0.00 53.44 51.01 1k2u n ALA 429 Cb 0.49 -0.98 0.46 0.00 0.00 0.00 0.00 19.45 19.42 1k2u n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1k2u n ARG 430 N -0.60 0.15 -0.15 0.00 1.74 -1.04 -2.27 116.66 114.50 1k2u n ARG 430 Ca 0.35 0.43 0.10 0.00 -0.77 0.00 0.00 57.85 57.97 1k2u n ARG 430 Cb 1.19 -1.82 0.28 0.00 -1.02 0.00 0.00 32.46 31.09 1k2u n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1k2u n ASP 431 N -2.12 2.41 -4.77 0.55 5.75 -1.26 -4.45 116.55 112.66 1k2u n ASP 431 Ca 0.02 -1.87 -0.38 0.00 -0.01 0.00 0.00 54.79 52.55 1k2u n ASP 431 Cb 0.19 -0.20 -0.03 0.00 -1.03 0.00 0.00 41.12 40.05 1k2u n ASP 431 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k2u n THR 433 N 0.19 0.00 -4.47 0.00 -2.24 -1.26 -4.76 114.28 101.74 1k2u n THR 433 Ca 0.04 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.58 1k2u n THR 433 Cb 0.47 0.11 -0.09 0.00 -2.10 0.00 0.00 70.33 68.72 1k2u n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1k2u s THR 434 N -1.12 0.76 0.21 4.28 -4.23 -1.26 -4.62 115.64 109.66 1k2u s THR 434 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.52 1k2u s THR 434 Cb 0.00 -2.51 -0.07 0.00 1.34 0.00 0.00 72.50 71.26 1k2u s THR 434 CO 0.00 0.00 1.50 0.00 -0.54 0.00 0.00 174.62 175.58 1k2u h ALA 435 N 1.96 0.73 -0.34 3.99 0.00 -1.91 -1.81 119.26 121.88 1k2u h ALA 435 Ca -0.37 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 53.87 1k2u h ALA 435 Cb 1.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1k2u h ALA 435 CO 0.61 0.74 -0.21 0.45 0.00 0.00 0.00 179.25 180.84 1k2u h HIS 436 N 0.25 0.73 -0.08 0.00 3.86 -1.96 -0.10 115.15 117.85 1k2u h HIS 436 Ca -0.01 -0.15 -0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1k2u h HIS 436 Cb 1.18 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 29.47 1k2u h HIS 436 CO 0.03 0.81 0.04 0.78 0.86 0.00 0.00 177.93 180.45 1k2u h GLY 437 N 0.99 0.12 0.52 2.45 0.00 -1.93 -0.70 103.07 104.53 1k2u h GLY 437 Ca 0.09 -0.06 0.10 0.00 0.00 0.00 0.00 47.33 47.45 1k2u h GLY 437 CO 0.05 0.06 0.52 -0.33 0.00 0.00 0.00 176.54 176.84 1k2u h MET 438 N -0.01 0.84 -0.56 4.80 0.00 -0.96 -0.16 114.93 118.88 1k2u h MET 438 Ca 0.03 -0.05 -0.01 0.00 0.00 0.00 0.00 59.70 59.67 1k2u h MET 438 Cb 0.13 -0.19 -0.03 0.00 0.00 0.00 0.00 31.60 31.52 1k2u h MET 438 CO -0.00 0.56 0.31 0.35 0.00 0.00 0.00 176.91 178.13 1k2u h PHE 439 N 0.87 0.77 -0.12 -0.22 3.04 -0.51 0.66 116.94 121.42 1k2u h PHE 439 Ca 0.42 -0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.36 1k2u h PHE 439 Cb 0.38 -0.25 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 1k2u h PHE 439 CO -0.04 0.55 0.07 -0.97 -2.02 0.00 0.00 178.31 175.90 1k2u h ASN 440 N 0.76 0.14 -0.69 0.41 -1.24 0.09 -0.57 115.58 114.47 1k2u h ASN 440 Ca 0.20 -0.06 0.03 0.00 0.71 0.00 0.00 56.30 57.18 1k2u h ASN 440 Cb 0.04 -0.04 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 1k2u h ASN 440 CO -0.03 0.16 0.43 1.88 -1.29 0.00 0.00 177.43 178.58 1k2u h TYR 441 N 0.12 0.81 -0.36 0.67 -1.99 -0.82 -2.17 116.97 113.23 1k2u h TYR 441 Ca 0.04 0.02 -0.03 0.00 2.00 0.00 0.00 58.73 60.76 1k2u h TYR 441 Cb 0.04 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.49 1k2u h TYR 441 CO -0.05 0.47 0.09 0.82 -0.00 0.00 0.00 178.16 179.49 1k2u h ILE 442 N 0.85 1.22 -0.44 -2.88 2.04 -0.58 -1.77 117.51 115.96 1k2u h ILE 442 Ca 0.28 -0.75 0.03 0.00 1.00 0.00 0.00 64.86 65.42 1k2u h ILE 442 Cb 0.01 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1k2u h ILE 442 CO -0.10 0.25 0.24 0.00 0.00 0.00 0.00 178.15 178.54 1k2u h ASN 444 N 0.48 0.14 0.14 0.00 2.35 -1.29 -0.70 115.58 116.70 1k2u h ASN 444 Ca 0.18 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 1k2u h ASN 444 Cb 0.05 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.39 1k2u h ASN 444 CO -0.11 0.29 -0.07 -0.74 -1.65 0.00 0.00 177.43 175.15 1k2u h HIS 445 N 0.14 -0.18 -0.99 1.19 2.76 -0.34 -1.13 115.15 116.61 1k2u h HIS 445 Ca 0.03 -0.00 0.13 0.00 -2.20 0.00 0.00 60.37 58.32 1k2u h HIS 445 Cb 0.32 0.06 -0.08 0.00 1.55 0.00 0.00 27.41 29.26 1k2u h HIS 445 CO 0.00 0.25 0.62 0.28 -1.30 0.00 0.00 177.93 177.79 1k2u h VAL 446 N -0.70 0.90 -0.13 5.26 2.07 -0.51 -0.30 116.25 122.84 1k2u h VAL 446 Ca -0.02 -0.33 -0.12 0.00 0.82 0.00 0.00 66.70 67.06 1k2u h VAL 446 Cb 0.51 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1k2u h VAL 446 CO 0.03 0.17 -0.38 0.50 0.02 0.00 0.00 177.57 177.91 1k2u h LYS 447 N 0.95 0.48 -0.32 1.57 3.64 -1.11 -1.55 116.57 120.24 1k2u h LYS 447 Ca 0.49 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.51 1k2u h LYS 447 Cb 0.54 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.40 1k2u h LYS 447 CO -0.26 0.97 0.13 -0.92 -2.27 0.00 0.00 179.45 177.10 1k2u h TYR 448 N 0.09 0.48 -0.07 1.91 3.20 -0.86 -2.15 116.97 119.57 1k2u h TYR 448 Ca -0.01 -0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.69 1k2u h TYR 448 Cb 1.00 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.12 1k2u h TYR 448 CO 0.11 0.45 -0.57 0.00 -1.64 0.00 0.00 178.16 176.51 1k2u h ALA 449 N 0.98 0.92 -0.19 1.82 0.00 -1.13 -3.18 119.26 118.47 1k2u h ALA 449 Ca 0.11 -0.52 -0.21 0.00 0.00 0.00 0.00 54.91 54.28 1k2u h ALA 449 Cb 0.17 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1k2u h ALA 449 CO -0.01 0.71 -0.71 1.15 0.00 0.00 0.00 179.25 180.38 1k2u h THR 450 N 0.15 1.28 -6.91 0.00 2.02 -1.21 0.11 112.91 108.35 1k2u h THR 450 Ca -0.00 -1.90 -0.57 0.00 0.77 0.00 0.00 66.41 64.70 1k2u h THR 450 Cb 1.05 1.87 -0.23 0.00 -1.74 0.00 0.00 68.15 69.10 1k2u h THR 450 CO 0.09 0.61 -0.88 -3.20 0.37 0.00 0.00 175.52 172.50 1k2u n ASN 451 N -3.96 0.34 -1.44 4.18 4.05 -0.82 -0.06 115.26 117.56 1k2u n ASN 451 Ca -0.06 -1.17 -0.19 0.00 0.45 0.00 0.00 54.58 53.60 1k2u n ASN 451 Cb 0.71 -1.47 -0.08 0.00 1.23 0.00 0.00 39.78 40.18 1k2u n ASN 451 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1k2u n LYS 452 N -4.19 -1.42 0.00 1.20 5.02 -1.26 -2.01 118.16 115.50 1k2u n LYS 452 Ca -0.22 1.16 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 1k2u n LYS 452 Cb 0.60 -5.51 0.00 0.00 -0.02 0.00 0.00 35.03 30.10 1k2u n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k2u n GLY 453 N -0.44 1.53 2.80 0.72 0.00 0.91 -4.90 105.19 105.81 1k2u n GLY 453 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1k2u n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k2u n ASN 454 N 0.00 5.64 -4.47 1.61 4.05 -0.85 0.03 115.26 121.28 1k2u n ASN 454 Ca 0.00 -3.13 -0.42 0.00 0.45 0.00 0.00 54.58 51.48 1k2u n ASN 454 Cb 0.00 -1.45 0.01 0.00 1.23 0.00 0.00 39.78 39.57 1k2u n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1k2u n LEU 455 N 3.37 0.21 -3.93 1.20 4.77 -1.22 -4.54 117.00 116.86 1k2u n LEU 455 Ca 0.43 0.94 -0.20 0.00 -0.03 0.00 0.00 56.01 57.14 1k2u n LEU 455 Cb 0.34 -1.13 -0.16 0.00 -2.33 0.00 0.00 43.42 40.14 1k2u n LEU 455 CO 0.79 -2.72 -0.42 -0.13 -1.33 0.00 0.00 177.39 173.58 1k2u s ARG 456 N -1.59 0.96 0.42 3.23 0.52 0.03 -5.01 118.95 117.49 1k2u s ARG 456 Ca 0.63 -0.18 -0.26 0.00 -0.52 0.00 0.00 55.73 55.40 1k2u s ARG 456 Cb -0.62 -0.90 -0.08 0.00 0.52 0.00 0.00 34.95 33.87 1k2u s ARG 456 CO 0.58 -0.03 1.29 -1.12 0.02 0.00 0.00 175.30 176.04 1k2u s SER 457 N 0.72 6.25 0.13 0.23 0.01 -1.26 -4.41 113.70 115.37 1k2u s SER 457 Ca -0.11 2.63 -0.24 0.00 1.31 0.00 0.00 55.95 59.54 1k2u s SER 457 Cb -0.13 -2.63 0.07 0.00 0.21 0.00 0.00 66.02 63.53 1k2u s SER 457 CO 0.01 -0.89 0.74 0.00 0.41 0.00 0.00 173.24 173.50 1k2u s ALA 458 N -1.29 -1.61 -0.10 1.44 0.00 -0.45 -2.26 121.76 117.49 1k2u s ALA 458 Ca 0.58 0.47 -0.10 0.00 0.00 0.00 0.00 51.96 52.92 1k2u s ALA 458 Cb -0.37 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.50 1k2u s ALA 458 CO 0.48 -0.82 0.28 -1.50 0.00 0.00 0.00 175.76 174.19 1k2u s ILE 459 N -3.55 0.00 -0.14 0.00 2.07 -0.50 -0.41 121.20 118.66 1k2u s ILE 459 Ca 0.05 -0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.30 1k2u s ILE 459 Cb -0.02 -0.39 0.00 0.00 0.13 0.00 0.00 42.46 42.18 1k2u s ILE 459 CO -0.07 -0.00 -0.19 -0.89 -1.91 0.00 0.00 174.94 171.88 1k2u s THR 460 N 0.14 2.36 -0.32 4.00 2.01 -0.27 -0.45 115.64 123.10 1k2u s THR 460 Ca -0.00 -0.88 -0.05 0.00 0.31 0.00 0.00 61.69 61.06 1k2u s THR 460 Cb -0.02 -1.96 0.04 0.00 0.01 0.00 0.00 72.50 70.56 1k2u s THR 460 CO 0.00 0.54 0.07 -0.63 -0.69 0.00 0.00 174.62 173.91 1k2u s ILE 461 N 0.73 3.60 0.87 1.82 1.01 -0.36 -3.03 121.20 125.83 1k2u s ILE 461 Ca -0.08 -1.11 -0.13 0.00 0.00 0.00 0.00 60.65 59.33 1k2u s ILE 461 Cb -0.16 -3.00 0.14 0.00 0.01 0.00 0.00 42.46 39.45 1k2u s ILE 461 CO 0.01 -0.11 1.22 -0.36 0.00 0.00 0.00 174.94 175.70 1k2u s PHE 462 N 1.38 2.21 0.34 3.97 0.08 -0.65 -0.96 117.98 124.36 1k2u s PHE 462 Ca -0.02 0.45 -0.27 0.00 0.12 0.00 0.00 56.93 57.22 1k2u s PHE 462 Cb -0.19 -3.74 -0.13 0.00 -0.57 0.00 0.00 43.02 38.39 1k2u s PHE 462 CO 0.02 -2.16 1.00 -2.30 -0.10 0.00 0.00 175.22 171.68 1k2u n PRO 463 N -3.46 1.36 -1.47 0.24 -0.02 -1.25 -4.64 135.00 125.75 1k2u n PRO 463 Ca 0.12 0.48 -0.32 0.00 -2.02 0.00 0.00 63.50 61.76 1k2u n PRO 463 Cb 0.60 -1.91 0.07 0.00 -0.02 0.00 0.00 33.50 32.24 1k2u n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1k2u s GLN 464 N -1.71 2.53 0.57 -0.52 -2.07 -1.26 -4.60 119.66 112.60 1k2u s GLN 464 Ca 0.60 1.21 -0.20 0.00 -1.82 0.00 0.00 55.36 55.15 1k2u s GLN 464 Cb -0.64 -1.93 -0.04 0.00 -1.09 0.00 0.00 33.01 29.30 1k2u s GLN 464 CO 0.59 -1.43 1.21 0.50 -1.32 0.00 0.00 175.29 174.83 1k2u s ARG 465 N -4.65 3.12 0.00 9.60 3.52 0.99 -4.94 118.95 126.59 1k2u s ARG 465 Ca 0.63 1.83 0.00 0.00 -0.13 0.00 0.00 55.73 58.06 1k2u s ARG 465 Cb -0.18 -2.02 0.00 0.00 -1.56 0.00 0.00 34.95 31.20 1k2u s ARG 465 CO 0.51 -1.09 0.00 0.25 -0.81 0.00 0.00 175.30 174.16 1k2u n THR 466 N -1.39 0.00 0.83 4.11 -2.24 -1.26 -4.78 114.28 109.55 1k2u n THR 466 Ca 0.12 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.99 1k2u n THR 466 Cb 0.49 -0.54 -0.02 0.00 -2.10 0.00 0.00 70.33 68.16 1k2u n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1k2u n ASP 467 N -1.33 1.59 0.00 3.42 5.75 -1.26 -4.97 116.55 119.76 1k2u n ASP 467 Ca 0.00 -1.30 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 1k2u n ASP 467 Cb 0.00 0.59 0.00 0.00 -1.03 0.00 0.00 41.12 40.68 1k2u n ASP 467 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k2u n GLY 468 N 1.30 1.92 0.56 6.12 0.00 -1.26 -4.82 105.19 109.02 1k2u n GLY 468 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.18 1k2u n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k2u n LYS 469 N -2.00 1.60 -1.06 1.61 5.02 -1.26 -4.28 118.16 117.79 1k2u n LYS 469 Ca 0.00 -1.20 -0.01 0.00 -2.02 0.00 0.00 58.31 55.07 1k2u n LYS 469 Cb 0.00 -1.36 0.15 0.00 -0.02 0.00 0.00 35.03 33.80 1k2u n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1k2u n HIS 470 N 0.41 0.67 -2.18 2.13 8.25 -1.26 -3.89 115.22 119.35 1k2u n HIS 470 Ca 0.09 -1.61 -0.41 0.00 -0.26 0.00 0.00 57.72 55.53 1k2u n HIS 470 Cb 0.43 -0.26 -0.03 0.00 1.12 0.00 0.00 29.99 31.25 1k2u n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1k2u s ASP 471 N -3.24 6.86 -0.02 0.41 1.11 -1.26 -2.94 116.67 117.58 1k2u s ASP 471 Ca 0.40 2.48 -0.20 0.00 0.18 0.00 0.00 52.55 55.42 1k2u s ASP 471 Cb 0.38 -2.62 -0.05 0.00 1.07 0.00 0.00 42.92 41.70 1k2u s ASP 471 CO -0.05 -0.54 0.56 -0.36 1.18 0.00 0.00 175.17 175.96 1k2u s PHE 472 N -0.17 3.66 -0.01 4.23 0.40 -1.26 -1.97 117.98 122.86 1k2u s PHE 472 Ca 0.55 1.14 -0.10 0.00 -0.60 0.00 0.00 56.93 57.92 1k2u s PHE 472 Cb -0.38 -2.57 0.01 0.00 0.51 0.00 0.00 43.02 40.59 1k2u s PHE 472 CO 0.41 0.35 0.20 1.03 0.70 0.00 0.00 175.22 177.91 1k2u s ARG 473 N -0.15 0.51 -0.32 0.44 1.81 0.45 -3.28 118.95 118.41 1k2u s ARG 473 Ca 0.30 -0.27 -0.01 0.00 -1.72 0.00 0.00 55.73 54.03 1k2u s ARG 473 Cb -0.18 0.22 0.07 0.00 -0.45 0.00 0.00 34.95 34.61 1k2u s ARG 473 CO 0.16 -0.13 0.03 0.08 -0.68 0.00 0.00 175.30 174.76 1k2u s VAL 474 N -1.22 2.93 0.43 3.52 1.01 -1.26 -0.36 120.40 125.45 1k2u s VAL 474 Ca -0.13 -1.60 0.29 0.00 0.00 0.00 0.00 61.98 60.54 1k2u s VAL 474 Cb -0.06 -2.78 0.31 0.00 0.00 0.00 0.00 36.38 33.85 1k2u s VAL 474 CO 0.02 -0.24 2.10 -0.50 0.00 0.00 0.00 175.10 176.48 1k2u h TRP 475 N 7.96 0.00 -4.26 5.22 4.06 -1.69 -3.42 115.95 123.83 1k2u h TRP 475 Ca -0.18 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.25 1k2u h TRP 475 Cb 1.05 0.00 0.13 0.00 -1.00 0.00 0.00 29.16 29.35 1k2u h TRP 475 CO 0.59 0.09 0.33 -0.80 -3.56 0.00 0.00 178.44 175.10 1k2u s ASN 476 N -6.07 4.43 0.05 -3.49 -0.87 -1.26 -4.93 114.94 102.80 1k2u s ASN 476 Ca -0.03 1.98 0.13 0.00 -1.57 0.00 0.00 52.86 53.38 1k2u s ASN 476 Cb 0.13 -2.54 -0.17 0.00 -0.02 0.00 0.00 41.25 38.65 1k2u s ASN 476 CO 0.57 -2.09 0.89 0.77 -2.57 0.00 0.00 177.10 174.66 1k2u h SER 477 N -0.80 0.00 -5.10 -1.22 4.64 -1.91 -3.34 113.55 105.82 1k2u h SER 477 Ca -0.45 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.73 1k2u h SER 477 Cb 1.25 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.16 1k2u h SER 477 CO 0.51 0.80 -0.62 -1.10 -0.87 0.00 0.00 176.83 175.55 1k2u s GLN 478 N -2.76 0.51 0.38 4.77 -0.21 -1.26 -1.51 119.66 119.58 1k2u s GLN 478 Ca -0.02 -0.85 0.08 0.00 0.02 0.00 0.00 55.36 54.59 1k2u s GLN 478 Cb 0.08 0.19 0.77 0.00 1.00 0.00 0.00 33.01 35.05 1k2u s GLN 478 CO 0.81 -0.11 1.93 -0.07 -2.12 0.00 0.00 175.29 175.73 1k2u h LEU 479 N 3.80 0.29 -7.74 2.90 3.38 -1.61 -3.40 115.31 112.94 1k2u h LEU 479 Ca -0.33 -0.05 -0.57 0.00 0.09 0.00 0.00 57.88 57.02 1k2u h LEU 479 Cb 1.18 -0.08 -0.37 0.00 0.09 0.00 0.00 40.66 41.48 1k2u h LEU 479 CO 0.52 0.40 -0.81 -0.63 0.09 0.00 0.00 178.44 178.02 1k2u s ILE 480 N -4.85 1.28 -0.01 1.22 1.01 -1.26 -4.86 121.20 113.73 1k2u s ILE 480 Ca -0.06 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 59.79 1k2u s ILE 480 Cb 0.16 -1.32 0.04 0.00 0.01 0.00 0.00 42.46 41.34 1k2u s ILE 480 CO 0.74 0.29 0.47 -0.13 0.00 0.00 0.00 174.94 176.30 1k2u s ARG 481 N 1.58 0.88 0.24 2.79 0.52 -1.26 -4.89 118.95 118.81 1k2u s ARG 481 Ca 0.03 -0.09 -0.22 0.00 -0.52 0.00 0.00 55.73 54.92 1k2u s ARG 481 Cb -0.14 0.40 -0.09 0.00 0.52 0.00 0.00 34.95 35.64 1k2u s ARG 481 CO -0.09 -0.27 0.80 0.71 0.02 0.00 0.00 175.30 176.46 1k2u s TYR 482 N -1.62 3.71 0.69 -0.53 4.12 -1.26 -0.28 117.35 122.18 1k2u s TYR 482 Ca -0.10 1.54 -0.14 0.00 0.02 0.00 0.00 57.07 58.38 1k2u s TYR 482 Cb -0.02 -2.73 0.02 0.00 -1.52 0.00 0.00 41.96 37.71 1k2u s TYR 482 CO 0.04 0.33 1.13 0.00 0.02 0.00 0.00 175.55 177.07 1k2u s ALA 483 N -1.49 2.33 -0.16 3.71 0.00 0.79 -4.47 121.76 122.48 1k2u s ALA 483 Ca 0.44 0.60 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1k2u s ALA 483 Cb -0.18 -3.35 0.03 0.00 0.00 0.00 0.00 23.12 19.61 1k2u s ALA 483 CO 0.23 -1.51 -0.10 0.20 0.00 0.00 0.00 175.76 174.57 1k2u s GLY 484 N -2.53 1.06 -0.04 0.00 0.00 -1.25 -1.56 107.32 103.01 1k2u s GLY 484 Ca 0.68 -0.88 0.07 0.00 0.00 0.00 0.00 44.72 44.59 1k2u s GLY 484 CO 0.44 0.72 -0.25 -0.19 0.00 0.00 0.00 173.10 173.82 1k2u s TYR 485 N 1.55 2.32 -0.08 1.90 1.51 0.95 -3.95 117.35 121.55 1k2u s TYR 485 Ca 0.03 -0.55 -0.20 0.00 -1.01 0.00 0.00 57.07 55.33 1k2u s TYR 485 Cb -0.14 -1.51 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1k2u s TYR 485 CO -0.09 -0.12 0.57 0.15 -1.11 0.00 0.00 175.55 174.95 1k2u s LYS 486 N -0.40 4.36 0.47 -0.62 1.02 -1.26 0.19 119.74 123.50 1k2u s LYS 486 Ca 0.04 0.63 0.03 0.00 0.02 0.00 0.00 55.97 56.69 1k2u s LYS 486 Cb -0.11 -3.42 0.02 0.00 -0.52 0.00 0.00 37.83 33.79 1k2u s LYS 486 CO 0.01 0.17 0.67 -0.65 -0.92 0.00 0.00 175.35 174.63 1k2u s GLN 487 N 0.52 2.78 0.19 1.68 -0.21 -0.95 -4.89 119.66 118.78 1k2u s GLN 487 Ca 0.30 -0.87 -0.21 0.00 0.02 0.00 0.00 55.36 54.61 1k2u s GLN 487 Cb -0.16 -2.61 0.13 0.00 1.00 0.00 0.00 33.01 31.37 1k2u s GLN 487 CO 0.14 -0.43 1.57 -1.35 -2.12 0.00 0.00 175.29 173.11 1k2u h PRO 488 N 0.37 -0.13 -0.52 2.91 0.11 -1.98 -1.40 132.00 131.37 1k2u h PRO 488 Ca -0.43 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.74 1k2u h PRO 488 Cb 1.28 0.03 -0.06 0.00 0.11 0.00 0.00 31.00 32.36 1k2u h PRO 488 CO 0.51 -0.09 -0.31 -3.47 -0.21 0.00 0.00 178.00 174.44 1k2u n ASP 489 N -5.44 -0.55 0.00 -2.05 -0.08 -1.26 -4.78 116.55 102.39 1k2u n ASP 489 Ca 0.05 1.17 0.00 0.00 -1.51 0.00 0.00 54.79 54.50 1k2u n ASP 489 Cb 0.36 -0.24 0.00 0.00 2.34 0.00 0.00 41.12 43.58 1k2u n ASP 489 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1k2u n GLY 490 N -1.13 -0.43 0.00 0.27 0.00 -0.53 -5.13 105.19 98.25 1k2u n GLY 490 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1k2u n GLY 490 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2u n SER 491 N 0.00 0.00 -3.83 1.61 3.41 -1.26 -4.82 113.62 108.73 1k2u n SER 491 Ca 0.00 -0.34 -0.17 0.00 -0.26 0.00 0.00 58.87 58.10 1k2u n SER 491 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 1k2u n SER 491 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1k2u s THR 492 N -0.08 0.17 -0.21 6.66 2.01 -1.26 -2.25 115.64 120.68 1k2u s THR 492 Ca 0.00 0.07 -0.08 0.00 0.31 0.00 0.00 61.69 61.98 1k2u s THR 492 Cb 0.00 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.21 1k2u s THR 492 CO 0.00 0.13 0.09 -0.22 -0.69 0.00 0.00 174.62 173.93 1k2u s LEU 493 N 0.89 3.85 0.00 4.42 1.98 0.49 -4.93 118.68 125.39 1k2u s LEU 493 Ca -0.09 0.05 0.00 0.00 -2.89 0.00 0.00 54.13 51.20 1k2u s LEU 493 Cb -0.12 -2.00 0.00 0.00 0.66 0.00 0.00 46.19 44.73 1k2u s LEU 493 CO -0.02 0.12 0.00 0.61 -1.89 0.00 0.00 176.35 175.17 1k2u n GLY 494 N 3.93 0.91 3.37 7.98 0.00 -1.25 -0.04 105.19 120.09 1k2u n GLY 494 Ca -0.16 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 1k2u n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k2u s ASP 495 N -4.00 5.68 0.57 1.61 -1.08 -0.60 -4.77 116.67 114.08 1k2u s ASP 495 Ca 0.00 -0.99 0.27 0.00 -0.52 0.00 0.00 52.55 51.31 1k2u s ASP 495 Cb 0.00 -2.01 1.58 0.00 -1.46 0.00 0.00 42.92 41.03 1k2u s ASP 495 CO 0.00 -0.37 2.08 -0.65 0.52 0.00 0.00 175.17 176.75 1k2u h PRO 496 N 8.41 0.00 0.00 4.34 0.11 -1.79 -1.80 132.00 141.27 1k2u h PRO 496 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1k2u h PRO 496 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1k2u h PRO 496 CO 0.66 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.45 1k2u h ALA 497 N 1.77 1.00 -0.08 -0.75 0.00 -1.92 -3.08 119.26 116.19 1k2u h ALA 497 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1k2u h ALA 497 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1k2u h ALA 497 CO -0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 1k2u n ASN 498 N -3.03 1.96 -0.32 0.00 3.02 -0.68 -4.77 115.26 111.44 1k2u n ASN 498 Ca -0.00 -1.67 0.13 0.00 -0.03 0.00 0.00 54.58 53.01 1k2u n ASN 498 Cb 0.25 -0.05 0.28 0.00 -0.61 0.00 0.00 39.78 39.65 1k2u n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1k2u h VAL 499 N 0.79 0.14 0.19 2.41 2.07 -1.48 0.49 116.25 120.87 1k2u h VAL 499 Ca 0.00 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1k2u h VAL 499 Cb 0.42 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1k2u h VAL 499 CO 0.00 0.01 -0.09 -0.61 0.02 0.00 0.00 177.57 176.90 1k2u h GLN 500 N 0.07 -0.25 -0.82 1.57 4.15 -1.85 -1.64 115.11 116.35 1k2u h GLN 500 Ca 0.57 0.02 0.02 0.00 0.77 0.00 0.00 58.65 60.02 1k2u h GLN 500 Cb 1.16 0.06 -0.04 0.00 0.21 0.00 0.00 27.48 28.87 1k2u h GLN 500 CO -0.81 0.05 0.54 0.35 -1.93 0.00 0.00 178.83 177.03 1k2u h PHE 501 N -0.55 1.02 -0.02 3.99 3.57 -1.61 0.24 116.94 123.59 1k2u h PHE 501 Ca -0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1k2u h PHE 501 Cb 0.41 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 38.81 1k2u h PHE 501 CO 0.02 0.62 0.02 1.15 -2.23 0.00 0.00 178.31 177.89 1k2u h THR 502 N 1.08 0.48 0.12 4.41 2.02 0.03 -1.36 112.91 119.70 1k2u h THR 502 Ca 0.31 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.33 1k2u h THR 502 Cb -0.09 0.98 0.02 0.00 -1.74 0.00 0.00 68.15 67.32 1k2u h THR 502 CO -0.08 0.00 -0.70 -0.33 0.37 0.00 0.00 175.52 174.78 1k2u h GLU 503 N 0.00 0.26 0.00 6.66 5.08 0.40 -3.03 114.58 123.94 1k2u h GLU 503 Ca 0.01 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1k2u h GLU 503 Cb 0.05 0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 1k2u h GLU 503 CO -0.00 1.21 -0.01 0.82 -1.00 0.00 0.00 179.01 180.03 1k2u h ILE 504 N -0.46 0.11 0.13 3.13 2.04 -0.02 0.46 117.51 122.90 1k2u h ILE 504 Ca -0.12 -0.06 -0.29 0.00 1.00 0.00 0.00 64.86 65.38 1k2u h ILE 504 Cb 1.55 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 1k2u h ILE 504 CO 0.13 0.01 -1.40 0.00 0.00 0.00 0.00 178.15 176.89 1k2u h ILE 506 N 0.08 1.42 0.00 0.00 2.04 -1.01 0.12 117.51 120.16 1k2u h ILE 506 Ca -0.19 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.11 1k2u h ILE 506 Cb 2.01 2.23 0.00 0.00 -0.74 0.00 0.00 36.82 40.32 1k2u h ILE 506 CO 0.19 0.44 0.00 1.67 0.00 0.00 0.00 178.15 180.45 1k2u n GLN 507 N -4.53 0.13 -0.00 2.37 7.27 0.15 -1.36 117.38 121.40 1k2u n GLN 507 Ca -0.08 0.13 0.03 0.00 0.07 0.00 0.00 57.00 57.16 1k2u n GLN 507 Cb 0.43 -1.50 -0.04 0.00 2.41 0.00 0.00 30.24 31.53 1k2u n GLN 507 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 1k2u n GLN 508 N -1.17 2.80 0.00 3.69 -0.06 -0.97 -5.03 117.38 116.65 1k2u n GLN 508 Ca 0.04 -0.03 0.00 0.00 -2.00 0.00 0.00 57.00 55.01 1k2u n GLN 508 Cb 0.04 -0.96 0.00 0.00 -4.06 0.00 0.00 30.24 25.25 1k2u n GLN 508 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1k2u n GLY 509 N 1.58 1.93 3.55 1.69 0.00 -0.46 -5.01 105.19 108.46 1k2u n GLY 509 Ca 0.00 -0.22 -0.50 0.00 0.00 0.00 0.00 46.02 45.30 1k2u n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1k2u n TRP 510 N 0.00 0.99 -3.14 1.61 -0.00 0.32 -4.87 117.44 112.36 1k2u n TRP 510 Ca 0.00 0.77 -0.46 0.00 -0.00 0.00 0.00 57.50 57.82 1k2u n TRP 510 Cb 0.00 -2.21 -0.02 0.00 -0.00 0.00 0.00 31.31 29.07 1k2u n TRP 510 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1k2u s LYS 511 N -0.39 3.60 0.04 5.87 1.02 -1.26 -4.34 119.74 124.28 1k2u s LYS 511 Ca 0.75 -2.13 -0.30 0.00 0.02 0.00 0.00 55.97 54.31 1k2u s LYS 511 Cb -0.92 -4.66 -0.09 0.00 -0.52 0.00 0.00 37.83 31.64 1k2u s LYS 511 CO 0.53 -1.52 1.94 0.00 -0.92 0.00 0.00 175.35 175.38 1k2u s ALA 512 N 1.36 3.60 -2.00 5.17 0.00 -1.26 -4.87 121.76 123.77 1k2u s ALA 512 Ca 0.25 1.32 0.18 0.00 0.00 0.00 0.00 51.96 53.71 1k2u s ALA 512 Cb -0.08 -3.83 1.07 0.00 0.00 0.00 0.00 23.12 20.28 1k2u s ALA 512 CO -0.09 -1.53 1.55 -0.35 0.00 0.00 0.00 175.76 175.35 1k2u n PRO 513 N 7.33 0.79 -3.77 0.00 -0.04 -1.26 -4.90 135.00 133.16 1k2u n PRO 513 Ca 0.20 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.37 1k2u n PRO 513 Cb 0.41 -1.35 0.02 0.00 -0.04 0.00 0.00 33.50 32.54 1k2u n PRO 513 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1k2u n ARG 514 N -0.85 -5.05 -3.08 0.54 5.12 -1.26 -4.98 116.66 107.10 1k2u n ARG 514 Ca 0.13 0.59 -0.18 0.00 -1.93 0.00 0.00 57.85 56.47 1k2u n ARG 514 Cb 0.06 -5.45 0.01 0.00 -1.16 0.00 0.00 32.46 25.92 1k2u n ARG 514 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 1k2u s GLY 515 N -3.16 1.87 0.13 -0.13 0.00 -1.26 -5.03 107.32 99.74 1k2u s GLY 515 Ca 0.60 -1.60 -0.15 0.00 0.00 0.00 0.00 44.72 43.58 1k2u s GLY 515 CO 0.74 -1.43 1.60 -0.09 0.00 0.00 0.00 173.10 173.92 1k2u h ARG 516 N 0.65 0.71 -2.43 2.90 9.65 -1.94 -3.37 114.38 120.55 1k2u h ARG 516 Ca -0.41 -0.20 -0.60 0.00 -1.10 0.00 0.00 59.98 57.66 1k2u h ARG 516 Cb 1.28 -0.07 -0.41 0.00 -1.39 0.00 0.00 29.97 29.37 1k2u h ARG 516 CO 0.47 0.76 -0.67 1.19 2.80 0.00 0.00 179.97 184.53 1k2u n PHE 517 N -4.47 2.82 -3.45 2.20 3.01 -1.26 -3.97 117.46 112.34 1k2u n PHE 517 Ca -0.00 -4.08 -0.39 0.00 1.01 0.00 0.00 57.45 53.98 1k2u n PHE 517 Cb 0.26 -0.51 -0.10 0.00 -0.01 0.00 0.00 39.48 39.13 1k2u n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1k2u s ASP 518 N -1.90 6.17 -0.13 4.37 1.01 -1.26 -4.94 116.67 119.99 1k2u s ASP 518 Ca 0.35 0.08 -0.29 0.00 0.71 0.00 0.00 52.55 53.39 1k2u s ASP 518 Cb 0.09 -2.18 -0.05 0.00 1.01 0.00 0.00 42.92 41.79 1k2u s ASP 518 CO -0.08 -0.19 1.78 -0.69 0.21 0.00 0.00 175.17 176.21 1k2u s VAL 519 N 1.97 3.43 0.88 -1.27 1.01 -1.26 -0.15 120.40 125.02 1k2u s VAL 519 Ca 0.12 0.50 -0.10 0.00 0.00 0.00 0.00 61.98 62.50 1k2u s VAL 519 Cb -0.16 -3.41 0.13 0.00 0.00 0.00 0.00 36.38 32.94 1k2u s VAL 519 CO 0.11 -0.13 1.12 -0.76 0.00 0.00 0.00 175.10 175.44 1k2u s LEU 520 N 5.20 2.79 0.34 3.92 1.43 0.61 -4.89 118.68 128.08 1k2u s LEU 520 Ca 0.79 2.03 -0.05 0.00 -1.03 0.00 0.00 54.13 55.87 1k2u s LEU 520 Cb -0.32 -4.48 -0.05 0.00 0.03 0.00 0.00 46.19 41.37 1k2u s LEU 520 CO 0.33 -2.84 0.62 -2.16 0.23 0.00 0.00 176.35 172.53 1k2u s PRO 521 N -4.73 3.63 0.23 1.29 0.04 -1.26 -4.79 135.00 129.42 1k2u s PRO 521 Ca 0.65 0.08 -0.28 0.00 0.04 0.00 0.00 61.00 61.49 1k2u s PRO 521 Cb -0.21 -2.57 -0.09 0.00 0.04 0.00 0.00 34.50 31.67 1k2u s PRO 521 CO 0.58 0.11 0.90 -0.51 0.04 0.00 0.00 177.00 178.12 1k2u s LEU 522 N -3.83 4.60 -0.45 -3.56 1.43 0.19 -4.84 118.68 112.22 1k2u s LEU 522 Ca 0.45 1.86 0.04 0.00 -1.03 0.00 0.00 54.13 55.45 1k2u s LEU 522 Cb -0.10 -3.59 0.12 0.00 0.03 0.00 0.00 46.19 42.65 1k2u s LEU 522 CO 0.33 0.14 0.18 -0.22 0.23 0.00 0.00 176.35 177.01 1k2u s LEU 523 N -1.28 4.31 -0.07 1.79 0.20 -1.26 -1.12 118.68 121.25 1k2u s LEU 523 Ca 0.41 -2.67 -0.08 0.00 0.69 0.00 0.00 54.13 52.48 1k2u s LEU 523 Cb -0.24 -1.58 -0.04 0.00 -0.43 0.00 0.00 46.19 43.89 1k2u s LEU 523 CO 0.30 -0.29 0.22 -0.76 -0.29 0.00 0.00 176.35 175.53 1k2u s LEU 524 N 0.19 4.40 -0.12 -0.68 1.43 -0.36 -1.82 118.68 121.73 1k2u s LEU 524 Ca 0.15 0.58 0.01 0.00 -1.03 0.00 0.00 54.13 53.84 1k2u s LEU 524 Cb -0.23 -2.31 0.02 0.00 0.03 0.00 0.00 46.19 43.69 1k2u s LEU 524 CO -0.03 0.36 -0.15 -1.58 0.23 0.00 0.00 176.35 175.18 1k2u s GLN 525 N -1.22 2.24 -0.01 1.70 0.74 0.51 -0.59 119.66 123.03 1k2u s GLN 525 Ca 0.20 -0.56 0.07 0.00 0.05 0.00 0.00 55.36 55.12 1k2u s GLN 525 Cb -0.13 -1.96 -0.02 0.00 1.10 0.00 0.00 33.01 32.00 1k2u s GLN 525 CO 0.09 -0.12 -0.24 0.00 -0.55 0.00 0.00 175.29 174.47 1k2u s ALA 526 N 1.16 1.97 -1.43 1.58 0.00 -1.26 -0.41 121.76 123.36 1k2u s ALA 526 Ca -0.03 -1.04 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 1k2u s ALA 526 Cb -0.14 -0.49 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1k2u s ALA 526 CO -0.05 0.48 0.30 -1.71 0.00 0.00 0.00 175.76 174.78 1k2u n ASN 527 N 2.41 -0.40 0.00 0.00 2.85 -1.25 -1.07 115.26 117.80 1k2u n ASN 527 Ca -0.16 -1.14 0.00 0.00 -0.11 0.00 0.00 54.58 53.17 1k2u n ASN 527 Cb 0.52 -2.39 0.00 0.00 1.24 0.00 0.00 39.78 39.15 1k2u n ASN 527 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1k2u n GLY 528 N -2.21 0.77 2.96 8.20 0.00 -0.83 -4.57 105.19 109.50 1k2u n GLY 528 Ca -0.29 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.48 1k2u n GLY 528 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k2u n ASN 529 N 0.00 -1.44 -4.78 1.61 3.02 -0.23 -4.86 115.26 108.59 1k2u n ASN 529 Ca 0.00 -1.13 -0.39 0.00 -0.03 0.00 0.00 54.58 53.03 1k2u n ASN 529 Cb 0.00 -0.83 -0.06 0.00 -0.61 0.00 0.00 39.78 38.28 1k2u n ASN 529 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1k2u s ASP 530 N -4.19 7.40 0.48 6.41 1.11 -1.26 -4.48 116.67 122.14 1k2u s ASP 530 Ca 0.59 1.72 -0.24 0.00 0.18 0.00 0.00 52.55 54.80 1k2u s ASP 530 Cb -0.05 -2.53 -0.07 0.00 1.07 0.00 0.00 42.92 41.35 1k2u s ASP 530 CO 0.45 0.13 1.39 -2.16 1.18 0.00 0.00 175.17 176.16 1k2u s PRO 531 N -1.41 3.49 0.05 8.23 0.04 -1.25 -4.76 135.00 139.40 1k2u s PRO 531 Ca 0.40 2.33 0.09 0.00 0.04 0.00 0.00 61.00 63.87 1k2u s PRO 531 Cb -0.22 -2.51 -0.03 0.00 0.04 0.00 0.00 34.50 31.78 1k2u s PRO 531 CO 0.27 -0.94 -0.25 -1.21 0.04 0.00 0.00 177.00 174.90 1k2u s GLU 532 N -2.62 1.69 0.31 4.56 2.02 0.24 -4.86 118.70 120.05 1k2u s GLU 532 Ca 0.65 -1.11 -0.12 0.00 0.02 0.00 0.00 54.97 54.41 1k2u s GLU 532 Cb -0.42 -1.89 -0.08 0.00 0.10 0.00 0.00 34.13 31.84 1k2u s GLU 532 CO 0.53 0.48 0.68 -0.51 0.02 0.00 0.00 175.26 176.46 1k2u s LEU 533 N -1.31 4.05 -0.11 1.80 1.43 -1.25 -1.22 118.68 122.06 1k2u s LEU 533 Ca 0.11 1.12 -0.18 0.00 -1.03 0.00 0.00 54.13 54.15 1k2u s LEU 533 Cb -0.10 -3.92 0.04 0.00 0.03 0.00 0.00 46.19 42.24 1k2u s LEU 533 CO 0.02 -0.21 0.44 -0.36 0.23 0.00 0.00 176.35 176.48 1k2u s PHE 534 N -2.02 -0.42 -0.30 0.29 0.40 -0.28 -4.95 117.98 110.70 1k2u s PHE 534 Ca 0.51 0.92 -0.10 0.00 -0.60 0.00 0.00 56.93 57.66 1k2u s PHE 534 Cb -0.10 0.18 -0.02 0.00 0.51 0.00 0.00 43.02 43.58 1k2u s PHE 534 CO 0.22 -0.33 0.17 -1.14 0.70 0.00 0.00 175.22 174.83 1k2u s GLN 535 N -0.42 3.57 0.20 0.44 2.00 -1.26 -0.63 119.66 123.56 1k2u s GLN 535 Ca -0.06 -0.57 -0.32 0.00 -2.00 0.00 0.00 55.36 52.42 1k2u s GLN 535 Cb -0.03 -3.61 -0.12 0.00 0.80 0.00 0.00 33.01 30.05 1k2u s GLN 535 CO 0.03 -0.33 1.69 0.42 -0.50 0.00 0.00 175.29 176.60 1k2u s ILE 536 N 1.67 2.13 -0.29 -2.34 1.01 -1.26 -4.80 121.20 117.32 1k2u s ILE 536 Ca 0.06 0.10 -0.38 0.00 0.00 0.00 0.00 60.65 60.43 1k2u s ILE 536 Cb -0.17 -3.06 -0.14 0.00 0.01 0.00 0.00 42.46 39.10 1k2u s ILE 536 CO 0.08 0.01 1.94 -2.65 0.00 0.00 0.00 174.94 174.32 1k2u n PRO 537 N 3.90 1.21 -0.41 2.79 -0.02 -1.26 -4.74 135.00 136.48 1k2u n PRO 537 Ca 0.15 0.41 0.35 0.00 -2.02 0.00 0.00 63.50 62.39 1k2u n PRO 537 Cb 0.36 -2.27 0.68 0.00 -0.02 0.00 0.00 33.50 32.24 1k2u n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1k2u h PRO 538 N 9.42 0.11 0.00 0.52 0.11 -1.95 2.10 132.00 142.31 1k2u h PRO 538 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1k2u h PRO 538 Cb 1.32 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1k2u h PRO 538 CO 0.99 0.08 0.00 1.05 -0.21 0.00 0.00 178.00 179.90 1k2u h GLU 539 N 0.12 0.00 -0.01 1.05 9.09 -2.01 -2.13 114.58 120.68 1k2u h GLU 539 Ca 0.69 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.10 1k2u h GLU 539 Cb 2.38 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.48 1k2u h GLU 539 CO -0.18 0.00 -0.39 1.28 0.05 0.00 0.00 179.01 179.78 1k2u n LEU 540 N -2.69 1.62 -4.27 3.06 4.77 0.71 -4.75 117.00 115.44 1k2u n LEU 540 Ca -0.00 -0.55 -0.44 0.00 -0.03 0.00 0.00 56.01 54.98 1k2u n LEU 540 Cb 0.17 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1k2u n LEU 540 CO 0.20 0.30 0.32 -0.69 -1.33 0.00 0.00 177.39 176.19 1k2u s VAL 541 N -2.49 5.15 -0.04 4.08 1.01 -0.80 -4.76 120.40 122.54 1k2u s VAL 541 Ca 0.21 -2.55 -0.30 0.00 0.00 0.00 0.00 61.98 59.34 1k2u s VAL 541 Cb 0.19 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 1k2u s VAL 541 CO 0.55 -0.99 1.38 -0.22 0.00 0.00 0.00 175.10 175.82 1k2u s LEU 542 N 0.16 4.29 0.09 3.92 2.96 -1.26 -5.00 118.68 123.84 1k2u s LEU 542 Ca 0.17 2.01 0.07 0.00 -0.22 0.00 0.00 54.13 56.16 1k2u s LEU 542 Cb -0.13 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 42.97 1k2u s LEU 542 CO -0.07 -0.73 -0.19 -1.61 -1.32 0.00 0.00 176.35 172.42 1k2u s GLU 543 N 2.77 1.06 -0.14 1.98 2.02 -1.26 -1.10 118.70 124.02 1k2u s GLU 543 Ca 0.62 -1.11 0.01 0.00 0.02 0.00 0.00 54.97 54.52 1k2u s GLU 543 Cb -0.29 -1.26 -0.00 0.00 0.10 0.00 0.00 34.13 32.68 1k2u s GLU 543 CO 0.24 0.29 -0.17 0.08 0.02 0.00 0.00 175.26 175.72 1k2u s VAL 544 N -1.18 2.54 -0.05 2.63 1.01 0.65 -4.92 120.40 121.09 1k2u s VAL 544 Ca 0.04 -0.82 -0.26 0.00 0.00 0.00 0.00 61.98 60.94 1k2u s VAL 544 Cb -0.10 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1k2u s VAL 544 CO 0.04 0.53 0.81 -2.16 0.00 0.00 0.00 175.10 174.32 1k2u s PRO 545 N 0.67 4.47 -0.33 2.72 0.04 -1.26 -1.79 135.00 139.52 1k2u s PRO 545 Ca -0.09 1.08 -0.24 0.00 0.04 0.00 0.00 61.00 61.80 1k2u s PRO 545 Cb -0.16 -3.46 0.01 0.00 0.04 0.00 0.00 34.50 30.93 1k2u s PRO 545 CO 0.02 -0.00 0.81 0.42 0.04 0.00 0.00 177.00 178.29 1k2u s ILE 546 N 0.96 4.74 0.15 0.56 -1.09 0.31 -4.83 121.20 121.99 1k2u s ILE 546 Ca 0.43 1.12 0.06 0.00 -2.23 0.00 0.00 60.65 60.03 1k2u s ILE 546 Cb -0.19 -4.20 -0.04 0.00 -1.58 0.00 0.00 42.46 36.46 1k2u s ILE 546 CO 0.21 -0.34 -0.14 0.00 -1.23 0.00 0.00 174.94 173.44 1k2u s ARG 547 N 3.08 1.12 -0.08 2.79 3.03 -1.26 -4.32 118.95 123.30 1k2u s ARG 547 Ca 0.33 -1.35 -0.05 0.00 2.03 0.00 0.00 55.73 56.69 1k2u s ARG 547 Cb -0.14 -0.97 -0.04 0.00 -1.03 0.00 0.00 34.95 32.78 1k2u s ARG 547 CO 0.15 0.18 0.15 -1.58 -1.13 0.00 0.00 175.30 173.06 1k2u s HIS 548 N -2.42 3.56 -1.39 5.89 2.46 -1.26 -4.29 115.29 117.84 1k2u s HIS 548 Ca 0.13 0.46 0.11 0.00 0.47 0.00 0.00 55.06 56.23 1k2u s HIS 548 Cb -0.03 -1.90 0.56 0.00 -0.13 0.00 0.00 32.58 31.08 1k2u s HIS 548 CO 0.04 0.70 1.26 -2.30 -2.47 0.00 0.00 174.74 171.97 1k2u n PRO 549 N 1.65 0.15 0.00 2.88 -0.02 -1.26 -3.65 135.00 134.75 1k2u n PRO 549 Ca -0.17 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1k2u n PRO 549 Cb 0.54 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.52 1k2u n PRO 549 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1k2u n LYS 550 N -1.30 0.00 -3.79 -0.52 5.02 -1.26 -5.00 118.16 111.30 1k2u n LYS 550 Ca 0.05 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 56.00 1k2u n LYS 550 Cb 0.09 -0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 34.99 1k2u n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1k2u s PHE 551 N 0.00 3.36 -1.66 2.13 2.99 -1.24 -4.91 117.98 118.65 1k2u s PHE 551 Ca 0.00 -2.85 0.06 0.00 0.00 0.00 0.00 56.93 54.15 1k2u s PHE 551 Cb 0.00 -3.09 0.34 0.00 0.00 0.00 0.00 43.02 40.27 1k2u s PHE 551 CO 0.00 -0.82 0.96 -0.25 -0.00 0.00 0.00 175.22 175.11 1k2u n ASP 552 N 3.42 0.00 0.07 1.36 8.00 -1.26 -0.36 116.55 127.78 1k2u n ASP 552 Ca 0.07 0.04 0.12 0.00 0.71 0.00 0.00 54.79 55.72 1k2u n ASP 552 Cb 0.36 -0.17 0.12 0.00 -0.02 0.00 0.00 41.12 41.42 1k2u n ASP 552 CO 0.00 0.00 0.00 4.11 -0.39 0.00 0.00 177.20 180.92 1k2u h TRP 553 N 0.00 0.00 -0.49 1.24 5.08 -1.94 -3.37 115.95 116.47 1k2u h TRP 553 Ca 0.00 0.00 0.08 0.00 1.08 0.00 0.00 58.89 60.05 1k2u h TRP 553 Cb 0.03 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.13 1k2u h TRP 553 CO 0.00 0.00 0.11 0.35 -1.28 0.00 0.00 178.44 177.62 1k2u h PHE 554 N 0.00 0.17 -1.13 0.12 3.57 -1.07 -1.09 116.94 117.51 1k2u h PHE 554 Ca 0.00 0.03 0.33 0.00 3.53 0.00 0.00 57.97 61.86 1k2u h PHE 554 Cb 0.80 -0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.50 1k2u h PHE 554 CO 0.00 0.01 0.88 0.87 -2.23 0.00 0.00 178.31 177.84 1k2u h LYS 555 N 0.25 0.00 0.00 1.11 1.57 -1.75 0.49 116.57 118.23 1k2u h LYS 555 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1k2u h LYS 555 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1k2u h LYS 555 CO -0.31 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.32 1k2u n ASP 556 N -4.00 0.59 0.27 0.86 8.00 -0.41 -1.93 116.55 119.93 1k2u n ASP 556 Ca 0.24 0.63 0.17 0.00 0.71 0.00 0.00 54.79 56.55 1k2u n ASP 556 Cb 1.25 -0.76 0.70 0.00 -0.02 0.00 0.00 41.12 42.29 1k2u n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1k2u h LEU 557 N 0.00 0.00 -1.03 0.64 4.07 -0.14 -3.46 115.31 115.39 1k2u h LEU 557 Ca 0.00 0.00 -0.33 0.00 0.08 0.00 0.00 57.88 57.63 1k2u h LEU 557 Cb 0.39 0.00 0.13 0.00 1.08 0.00 0.00 40.66 42.26 1k2u h LEU 557 CO 0.00 0.00 -0.60 0.61 -1.08 0.00 0.00 178.44 177.37 1k2u n GLY 558 N -0.03 -0.32 3.91 0.83 0.00 -0.81 -5.01 105.19 103.75 1k2u n GLY 558 Ca 0.00 0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1k2u n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2u s LEU 559 N -6.32 4.37 0.05 0.99 1.43 -1.26 -5.04 118.68 112.89 1k2u s LEU 559 Ca 0.41 0.33 -0.22 0.00 -1.03 0.00 0.00 54.13 53.63 1k2u s LEU 559 Cb -0.18 -2.66 0.05 0.00 0.03 0.00 0.00 46.19 43.43 1k2u s LEU 559 CO 0.63 0.25 0.50 -1.59 0.23 0.00 0.00 176.35 176.37 1k2u s LYS 560 N -2.01 1.02 0.21 1.70 -2.85 -1.26 -0.53 119.74 116.01 1k2u s LYS 560 Ca 0.28 -0.25 -0.06 0.00 -1.00 0.00 0.00 55.97 54.94 1k2u s LYS 560 Cb -0.13 0.46 -0.02 0.00 -2.06 0.00 0.00 37.83 36.08 1k2u s LYS 560 CO 0.20 -0.36 0.26 -0.46 0.10 0.00 0.00 175.35 175.09 1k2u s TRP 561 N -2.44 0.80 0.32 1.78 -0.11 -0.74 -4.96 118.94 113.59 1k2u s TRP 561 Ca -0.05 -1.09 -0.03 0.00 1.22 0.00 0.00 56.10 56.15 1k2u s TRP 561 Cb -0.01 -0.25 -0.04 0.00 -1.50 0.00 0.00 33.47 31.67 1k2u s TRP 561 CO -0.02 -0.77 0.57 1.52 -4.62 0.00 0.00 176.95 173.63 1k2u s TYR 562 N -4.09 3.49 -0.68 5.86 -0.85 -1.26 -0.25 117.35 119.58 1k2u s TYR 562 Ca 0.31 0.56 0.24 0.00 -0.52 0.00 0.00 57.07 57.66 1k2u s TYR 562 Cb 0.04 -2.05 0.34 0.00 0.38 0.00 0.00 41.96 40.67 1k2u s TYR 562 CO 0.09 0.12 1.31 0.41 -1.52 0.00 0.00 175.55 175.96 1k2u n GLY 563 N -1.30 -1.38 3.24 5.49 0.00 -0.26 -4.83 105.19 106.15 1k2u n GLY 563 Ca -0.03 -0.27 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 1k2u n GLY 563 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k2u s LEU 564 N -4.07 3.91 -0.32 0.99 2.96 -1.26 -4.54 118.68 116.35 1k2u s LEU 564 Ca 0.06 -1.06 -0.20 0.00 -0.22 0.00 0.00 54.13 52.71 1k2u s LEU 564 Cb 0.14 -1.79 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 1k2u s LEU 564 CO 0.72 -0.25 0.62 -2.16 -1.32 0.00 0.00 176.35 173.97 1k2u s PRO 565 N 1.36 3.83 -0.29 0.98 0.04 -1.26 -4.71 135.00 134.95 1k2u s PRO 565 Ca -0.02 0.21 -0.03 0.00 0.04 0.00 0.00 61.00 61.21 1k2u s PRO 565 Cb -0.19 -3.75 0.10 0.00 0.04 0.00 0.00 34.50 30.70 1k2u s PRO 565 CO 0.00 -0.61 0.11 0.00 0.04 0.00 0.00 177.00 176.54 1k2u s ALA 566 N 2.62 1.01 0.03 8.56 0.00 -1.26 -2.96 121.76 129.76 1k2u s ALA 566 Ca 0.25 -1.30 -0.30 0.00 0.00 0.00 0.00 51.96 50.60 1k2u s ALA 566 Cb -0.15 -1.47 -0.06 0.00 0.00 0.00 0.00 23.12 21.44 1k2u s ALA 566 CO 0.13 -1.63 1.38 0.08 0.00 0.00 0.00 175.76 175.71 1k2u s VAL 567 N 1.89 3.66 0.00 0.00 1.01 0.61 -1.51 120.40 126.06 1k2u s VAL 567 Ca 0.09 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1k2u s VAL 567 Cb -0.17 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1k2u s VAL 567 CO -0.31 0.03 0.34 -1.54 0.00 0.00 0.00 175.10 173.62 1k2u n SER 568 N 4.91 0.57 -1.18 3.32 3.41 -0.57 -0.96 113.62 123.11 1k2u n SER 568 Ca 0.12 -1.10 0.11 0.00 -0.26 0.00 0.00 58.87 57.75 1k2u n SER 568 Cb 0.44 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.63 1k2u n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1k2u n ASN 569 N -0.05 3.58 -4.97 4.04 6.94 -1.18 -4.49 115.26 119.13 1k2u n ASN 569 Ca 0.00 -1.98 -0.20 0.00 -0.02 0.00 0.00 54.58 52.38 1k2u n ASN 569 Cb 0.19 -0.33 0.03 0.00 -2.36 0.00 0.00 39.78 37.31 1k2u n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1k2u s MET 570 N -1.26 2.56 -0.12 -3.83 -1.94 -1.26 -4.42 119.30 109.04 1k2u s MET 570 Ca 0.41 -0.98 0.02 0.00 -1.71 0.00 0.00 55.69 53.43 1k2u s MET 570 Cb 0.23 -2.57 -0.00 0.00 2.01 0.00 0.00 34.83 34.50 1k2u s MET 570 CO 0.31 -0.63 -0.20 -1.17 -0.01 0.00 0.00 175.02 173.31 1k2u s LEU 571 N -4.66 2.27 -0.30 -0.03 2.96 0.07 -4.35 118.68 114.64 1k2u s LEU 571 Ca 0.57 -0.51 -0.15 0.00 -0.22 0.00 0.00 54.13 53.82 1k2u s LEU 571 Cb -0.10 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 1k2u s LEU 571 CO 0.37 0.13 0.38 -0.22 -1.32 0.00 0.00 176.35 175.70 1k2u s LEU 572 N 0.52 4.17 -0.22 -0.68 2.96 -0.56 -0.79 118.68 124.08 1k2u s LEU 572 Ca -0.13 0.12 -0.06 0.00 -0.22 0.00 0.00 54.13 53.84 1k2u s LEU 572 Cb -0.17 -2.42 -0.03 0.00 0.50 0.00 0.00 46.19 44.08 1k2u s LEU 572 CO 0.05 -0.25 0.03 -0.70 -1.32 0.00 0.00 176.35 174.16 1k2u s GLU 573 N 2.09 3.67 -0.05 1.98 2.12 -0.31 -0.46 118.70 127.74 1k2u s GLU 573 Ca 0.14 -0.48 0.01 0.00 0.36 0.00 0.00 54.97 55.00 1k2u s GLU 573 Cb -0.16 -3.18 0.02 0.00 0.26 0.00 0.00 34.13 31.07 1k2u s GLU 573 CO 0.11 -0.03 -0.04 0.42 -0.54 0.00 0.00 175.26 175.18 1k2u s ILE 574 N 1.14 0.56 -1.65 -3.70 1.01 -0.65 -2.13 121.20 115.77 1k2u s ILE 574 Ca 0.03 -0.11 -0.18 0.00 0.00 0.00 0.00 60.65 60.40 1k2u s ILE 574 Cb -0.14 -0.60 0.15 0.00 0.01 0.00 0.00 42.46 41.88 1k2u s ILE 574 CO 0.02 0.24 0.77 0.61 0.00 0.00 0.00 174.94 176.59 1k2u n GLY 575 N 4.22 -0.46 2.66 6.18 0.00 -1.26 -0.22 105.19 116.31 1k2u n GLY 575 Ca -0.22 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1k2u n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2u n GLY 576 N -1.37 3.16 3.79 -0.02 0.00 -1.26 -3.67 105.19 105.82 1k2u n GLY 576 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 1k2u n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2u s LEU 577 N 0.00 4.18 -0.24 0.99 1.43 0.70 -5.02 118.68 120.72 1k2u s LEU 577 Ca 0.00 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 1k2u s LEU 577 Cb 0.00 -4.17 0.04 0.00 0.03 0.00 0.00 46.19 42.09 1k2u s LEU 577 CO 0.00 -0.33 -0.10 -1.61 0.23 0.00 0.00 176.35 174.54 1k2u s GLU 578 N -2.43 2.65 -0.71 1.70 2.02 -1.26 -1.64 118.70 119.04 1k2u s GLU 578 Ca 0.56 -1.09 -0.13 0.00 0.02 0.00 0.00 54.97 54.33 1k2u s GLU 578 Cb -0.19 -2.88 0.18 0.00 0.10 0.00 0.00 34.13 31.34 1k2u s GLU 578 CO 0.25 -0.43 0.63 -0.06 0.02 0.00 0.00 175.26 175.67 1k2u s PHE 579 N 1.24 3.58 -1.05 1.61 0.40 0.39 -0.00 117.98 124.14 1k2u s PHE 579 Ca -0.02 -1.92 0.11 0.00 -0.60 0.00 0.00 56.93 54.50 1k2u s PHE 579 Cb -0.17 -3.71 0.48 0.00 0.51 0.00 0.00 43.02 40.13 1k2u s PHE 579 CO -0.06 -0.98 1.34 -1.13 0.70 0.00 0.00 175.22 175.09 1k2u n SER 580 N 4.27 0.00 -3.77 1.36 3.41 -1.26 -1.50 113.62 116.13 1k2u n SER 580 Ca 0.05 0.45 -0.29 0.00 -0.26 0.00 0.00 58.87 58.82 1k2u n SER 580 Cb 0.44 -0.47 -0.16 0.00 -0.26 0.00 0.00 64.21 63.76 1k2u n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k2u s ALA 581 N -2.95 1.39 -0.40 7.33 0.00 -1.21 -4.66 121.76 121.26 1k2u s ALA 581 Ca 0.06 -1.21 0.10 0.00 0.00 0.00 0.00 51.96 50.92 1k2u s ALA 581 Cb 0.07 -1.40 0.37 0.00 0.00 0.00 0.00 23.12 22.16 1k2u s ALA 581 CO 0.20 -1.38 1.03 0.00 0.00 0.00 0.00 175.76 175.61 1k2u n PRO 583 N 0.06 1.28 -4.08 0.00 -0.04 -1.17 -4.60 135.00 126.45 1k2u n PRO 583 Ca 0.10 0.46 -0.14 0.00 -0.04 0.00 0.00 63.50 63.88 1k2u n PRO 583 Cb 0.74 -2.02 -0.12 0.00 -0.04 0.00 0.00 33.50 32.05 1k2u n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1k2u s PHE 584 N 0.06 0.59 0.06 0.54 -0.12 -0.14 -1.11 117.98 117.86 1k2u s PHE 584 Ca 0.76 -0.39 -0.06 0.00 -0.05 0.00 0.00 56.93 57.19 1k2u s PHE 584 Cb -0.85 -0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 41.16 1k2u s PHE 584 CO 0.50 -0.07 0.12 -1.54 -0.05 0.00 0.00 175.22 174.18 1k2u s SER 585 N -1.17 0.19 0.00 1.98 1.04 0.45 -0.28 113.70 115.91 1k2u s SER 585 Ca -0.07 -0.62 0.00 0.00 0.48 0.00 0.00 55.95 55.74 1k2u s SER 585 Cb -0.08 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1k2u s SER 585 CO 0.00 -0.61 0.00 0.61 0.98 0.00 0.00 173.24 174.22 1k2u n GLY 586 N 0.36 4.26 3.15 7.32 0.00 -1.15 -1.34 105.19 117.78 1k2u n GLY 586 Ca -0.17 -0.49 -0.11 0.00 0.00 0.00 0.00 46.02 45.25 1k2u n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1k2u s TRP 587 N 3.08 0.05 0.48 1.61 -2.14 -1.26 -4.49 118.94 116.27 1k2u s TRP 587 Ca 0.00 -0.21 -0.24 0.00 2.66 0.00 0.00 56.10 58.31 1k2u s TRP 587 Cb 0.00 -0.04 -0.07 0.00 -3.10 0.00 0.00 33.47 30.26 1k2u s TRP 587 CO 0.00 -0.36 1.30 0.71 -2.66 0.00 0.00 176.95 175.94 1k2u s TYR 588 N -2.01 2.59 -0.20 1.66 1.51 -1.26 -4.87 117.35 114.75 1k2u s TYR 588 Ca -0.10 1.41 -0.09 0.00 -1.01 0.00 0.00 57.07 57.28 1k2u s TYR 588 Cb -0.04 -3.68 -0.05 0.00 -0.11 0.00 0.00 41.96 38.08 1k2u s TYR 588 CO -0.01 -2.36 0.12 1.41 -1.11 0.00 0.00 175.55 173.60 1k2u s MET 589 N -2.63 4.10 0.12 -0.62 -2.45 -1.26 -1.07 119.30 115.49 1k2u s MET 589 Ca 0.65 -0.27 -0.21 0.00 -1.25 0.00 0.00 55.69 54.60 1k2u s MET 589 Cb -0.37 -3.38 -0.03 0.00 1.25 0.00 0.00 34.83 32.30 1k2u s MET 589 CO 0.46 0.24 1.11 0.41 1.05 0.00 0.00 175.02 178.29 1k2u n GLY 590 N 3.69 -1.84 0.51 2.11 0.00 0.43 -1.38 105.19 108.70 1k2u n GLY 590 Ca -0.16 0.85 0.33 0.00 0.00 0.00 0.00 46.02 47.04 1k2u n GLY 590 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1k2u h THR 591 N 0.00 0.44 -0.80 2.61 1.35 -1.94 -1.81 112.91 112.76 1k2u h THR 591 Ca 0.13 -0.02 0.13 0.00 -0.55 0.00 0.00 66.41 66.10 1k2u h THR 591 Cb 0.31 0.39 -0.09 0.00 -1.73 0.00 0.00 68.15 67.03 1k2u h THR 591 CO -0.68 0.01 0.40 -0.33 -0.25 0.00 0.00 175.52 174.67 1k2u h GLU 592 N 0.05 0.58 0.00 4.72 5.08 -1.63 0.77 114.58 124.16 1k2u h GLU 592 Ca 0.55 -0.04 -0.11 0.00 -1.00 0.00 0.00 59.36 58.76 1k2u h GLU 592 Cb 2.09 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 31.19 1k2u h GLU 592 CO -0.05 0.39 -0.82 0.82 -1.00 0.00 0.00 179.01 178.35 1k2u h ILE 593 N 0.60 0.51 -0.63 3.13 2.04 -1.52 -1.89 117.51 119.75 1k2u h ILE 593 Ca 0.43 -1.62 0.05 0.00 1.00 0.00 0.00 64.86 64.71 1k2u h ILE 593 Cb 0.57 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 1k2u h ILE 593 CO -0.34 0.17 0.36 1.23 0.00 0.00 0.00 178.15 179.57 1k2u h GLY 594 N -1.00 0.91 0.00 5.37 0.00 -1.45 0.26 103.07 107.16 1k2u h GLY 594 Ca -0.17 -0.26 -0.12 0.00 0.00 0.00 0.00 47.33 46.78 1k2u h GLY 594 CO -0.10 0.18 -0.88 -2.08 0.00 0.00 0.00 176.54 173.66 1k2u h VAL 595 N 0.69 0.48 0.05 4.60 2.07 -1.08 -3.28 116.25 119.78 1k2u h VAL 595 Ca 0.27 -1.61 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 1k2u h VAL 595 Cb 0.12 1.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1k2u h VAL 595 CO -0.15 0.16 -0.02 0.03 0.02 0.00 0.00 177.57 177.61 1k2u h ARG 596 N -1.00 -0.07 -0.45 1.57 2.47 -1.48 -2.30 114.38 113.13 1k2u h ARG 596 Ca -0.18 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.56 1k2u h ARG 596 Cb 0.91 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 29.21 1k2u h ARG 596 CO -0.11 -0.04 0.27 -0.44 0.56 0.00 0.00 179.97 180.21 1k2u h ASP 597 N -0.63 0.45 0.00 7.04 3.32 -1.17 -1.64 116.42 123.79 1k2u h ASP 597 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1k2u h ASP 597 Cb 0.05 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1k2u h ASP 597 CO 0.01 0.32 -0.05 1.88 -1.72 0.00 0.00 179.24 179.68 1k2u h TYR 598 N 0.55 0.04 0.00 4.55 0.99 -0.66 -2.08 116.97 120.36 1k2u h TYR 598 Ca 0.18 -0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.84 1k2u h TYR 598 Cb -0.00 -0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.72 1k2u h TYR 598 CO -0.07 0.91 -1.59 0.00 -0.00 0.00 0.00 178.16 177.42 1k2u n ASP 600 N -2.51 1.38 -0.17 0.00 9.92 -0.62 -4.48 116.55 120.08 1k2u n ASP 600 Ca -0.05 1.13 -0.02 0.00 -0.53 0.00 0.00 54.79 55.33 1k2u n ASP 600 Cb 0.63 -1.18 0.07 0.00 -0.64 0.00 0.00 41.12 40.00 1k2u n ASP 600 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1k2u h ASN 601 N 3.94 -0.07 0.00 -2.24 -1.24 -1.92 -1.40 115.58 112.65 1k2u h ASN 601 Ca -0.46 0.11 0.00 0.00 0.71 0.00 0.00 56.30 56.66 1k2u h ASN 601 Cb 1.35 0.16 0.00 0.00 0.73 0.00 0.00 38.32 40.56 1k2u h ASN 601 CO 0.74 -0.01 0.00 -1.20 -1.29 0.00 0.00 177.43 175.66 1k2u n SER 602 N -5.16 0.00 0.00 1.15 7.64 -1.26 -4.28 113.62 111.71 1k2u n SER 602 Ca 0.06 -1.06 0.00 0.00 1.01 0.00 0.00 58.87 58.88 1k2u n SER 602 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1k2u n SER 602 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1k2u n ARG 603 N -0.84 0.00 0.00 1.43 5.12 -0.55 -4.41 116.66 117.41 1k2u n ARG 603 Ca 0.13 0.00 0.13 0.00 -1.93 0.00 0.00 57.85 56.18 1k2u n ARG 603 Cb 0.06 0.00 0.58 0.00 -1.16 0.00 0.00 32.46 31.94 1k2u n ARG 603 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1k2u n TYR 604 N 0.00 0.00 -3.05 -1.55 4.02 -0.78 -4.51 117.16 111.29 1k2u n TYR 604 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.81 1k2u n TYR 604 Cb 0.00 -0.49 0.00 0.00 -0.02 0.00 0.00 39.34 38.83 1k2u n TYR 604 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1k2u n ASN 605 N -1.49 -1.25 -0.47 7.72 5.15 -0.57 -4.86 115.26 119.50 1k2u n ASN 605 Ca 0.07 -0.28 0.12 0.00 -0.60 0.00 0.00 54.58 53.88 1k2u n ASN 605 Cb 0.31 -0.43 0.10 0.00 -0.53 0.00 0.00 39.78 39.23 1k2u n ASN 605 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1k2u n ILE 606 N -1.28 0.00 -0.34 -1.44 -5.35 -0.58 -4.50 119.36 105.88 1k2u n ILE 606 Ca -0.08 -0.24 0.15 0.00 -0.27 0.00 0.00 62.75 62.31 1k2u n ILE 606 Cb 0.18 1.05 0.35 0.00 -1.74 0.00 0.00 39.64 39.49 1k2u n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1k2u h LEU 607 N 2.30 0.66 -0.38 7.28 3.38 -1.86 -2.58 115.31 124.11 1k2u h LEU 607 Ca 0.00 0.13 0.07 0.00 0.09 0.00 0.00 57.88 58.17 1k2u h LEU 607 Cb 0.71 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.39 1k2u h LEU 607 CO 0.00 0.14 -0.40 -0.33 0.09 0.00 0.00 178.44 177.94 1k2u h GLU 608 N 0.61 -0.31 0.08 1.13 4.39 -1.99 -1.93 114.58 116.56 1k2u h GLU 608 Ca 0.61 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.33 1k2u h GLU 608 Cb 1.09 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1k2u h GLU 608 CO -0.45 -0.21 -0.04 0.93 -1.16 0.00 0.00 179.01 178.08 1k2u h GLU 609 N -0.32 -0.10 -1.03 2.33 5.08 -1.81 -2.99 114.58 115.74 1k2u h GLU 609 Ca 0.14 0.01 0.26 0.00 -1.00 0.00 0.00 59.36 58.76 1k2u h GLU 609 Cb 0.58 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 29.75 1k2u h GLU 609 CO -0.55 0.41 0.65 0.28 -1.00 0.00 0.00 179.01 178.80 1k2u h VAL 610 N -0.68 0.54 0.05 3.13 2.07 -1.45 0.11 116.25 120.03 1k2u h VAL 610 Ca -0.01 -0.15 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1k2u h VAL 610 Cb 0.55 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1k2u h VAL 610 CO 0.02 0.08 -0.02 0.00 0.02 0.00 0.00 177.57 177.66 1k2u h ALA 611 N 1.64 -0.07 -0.31 1.67 0.00 -1.38 -2.84 119.26 117.97 1k2u h ALA 611 Ca 0.60 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.38 1k2u h ALA 611 Cb 1.41 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.15 1k2u h ALA 611 CO -0.32 -0.35 -0.47 0.87 0.00 0.00 0.00 179.25 178.97 1k2u h LYS 612 N -0.44 -0.40 0.00 0.00 1.57 -0.68 0.86 116.57 117.49 1k2u h LYS 612 Ca -0.01 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1k2u h LYS 612 Cb 0.39 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1k2u h LYS 612 CO 0.01 -0.27 0.15 0.87 -0.57 0.00 0.00 179.45 179.64 1k2u h LYS 613 N -0.42 0.00 -0.01 3.15 1.57 -1.24 0.61 116.57 120.24 1k2u h LYS 613 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1k2u h LYS 613 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1k2u h LYS 613 CO -0.53 0.00 -0.20 -1.33 -0.57 0.00 0.00 179.45 176.82 1k2u n MET 614 N -2.68 1.13 -3.40 3.15 2.81 0.26 -4.98 117.12 113.42 1k2u n MET 614 Ca -0.02 -0.71 -0.16 0.00 -1.81 0.00 0.00 57.70 55.00 1k2u n MET 614 Cb 0.20 -1.49 0.01 0.00 -0.71 0.00 0.00 33.22 31.23 1k2u n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1k2u n ASP 615 N -0.31 -6.33 -4.09 7.83 2.03 0.21 -5.01 116.55 110.88 1k2u n ASP 615 Ca 0.14 -0.39 -0.15 0.00 0.52 0.00 0.00 54.79 54.91 1k2u n ASP 615 Cb 0.37 -3.39 -0.12 0.00 -0.72 0.00 0.00 41.12 37.27 1k2u n ASP 615 CO 0.00 0.00 0.00 -1.48 -1.92 0.00 0.00 177.20 173.80 1k2u s LEU 616 N -4.08 2.25 -0.38 -2.67 0.05 -1.25 -5.08 118.68 107.52 1k2u s LEU 616 Ca 0.07 -0.55 -0.27 0.00 0.05 0.00 0.00 54.13 53.42 1k2u s LEU 616 Cb -0.01 -0.29 -0.04 0.00 -2.05 0.00 0.00 46.19 43.80 1k2u s LEU 616 CO 0.83 -0.15 2.13 -0.62 -0.55 0.00 0.00 176.35 177.98 1k2u s ASP 617 N -1.57 5.22 -0.18 1.48 2.15 -1.26 -4.79 116.67 117.71 1k2u s ASP 617 Ca -0.07 1.28 0.15 0.00 0.43 0.00 0.00 52.55 54.34 1k2u s ASP 617 Cb -0.10 -2.51 0.75 0.00 -0.30 0.00 0.00 42.92 40.76 1k2u s ASP 617 CO 0.01 -2.25 1.65 0.23 -0.17 0.00 0.00 175.17 174.64 1k2u n MET 618 N 8.83 4.33 -0.03 4.34 2.81 -1.26 -4.40 117.12 131.73 1k2u n MET 618 Ca 0.29 -2.89 -0.14 0.00 -1.81 0.00 0.00 57.70 53.15 1k2u n MET 618 Cb 0.49 -2.11 -0.10 0.00 -0.71 0.00 0.00 33.22 30.80 1k2u n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1k2u h ARG 619 N 3.82 0.18 -5.59 0.03 3.08 -2.04 -3.45 114.38 110.42 1k2u h ARG 619 Ca 0.00 -0.15 -0.68 0.00 0.07 0.00 0.00 59.98 59.22 1k2u h ARG 619 Cb 1.73 0.03 -0.32 0.00 0.08 0.00 0.00 29.97 31.50 1k2u h ARG 619 CO 0.39 0.80 -0.87 -1.59 -1.07 0.00 0.00 179.97 177.63 1k2u s LYS 620 N -3.59 2.90 0.54 0.04 -2.85 -1.26 -5.00 119.74 110.51 1k2u s LYS 620 Ca -0.16 -0.86 0.26 0.00 -1.00 0.00 0.00 55.97 54.21 1k2u s LYS 620 Cb 0.02 -2.29 1.43 0.00 -2.06 0.00 0.00 37.83 34.93 1k2u s LYS 620 CO 0.73 0.26 2.01 1.79 0.10 0.00 0.00 175.35 180.25 1k2u h THR 621 N 5.42 0.68 0.00 3.79 1.35 -1.92 -1.13 112.91 121.10 1k2u h THR 621 Ca -0.25 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 1k2u h THR 621 Cb 1.21 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1k2u h THR 621 CO 0.48 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.21 1k2u n SER 622 N -4.25 0.00 -0.10 5.36 3.41 -1.26 -1.01 113.62 115.77 1k2u n SER 622 Ca 0.08 0.09 0.13 0.00 -0.26 0.00 0.00 58.87 58.90 1k2u n SER 622 Cb 0.54 -0.24 0.42 0.00 -0.26 0.00 0.00 64.21 64.68 1k2u n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1k2u n SER 623 N -1.24 0.58 -3.79 4.04 3.41 -0.43 -4.92 113.62 111.27 1k2u n SER 623 Ca 0.05 -0.42 -0.28 0.00 -0.26 0.00 0.00 58.87 57.95 1k2u n SER 623 Cb 0.06 0.04 0.04 0.00 -0.26 0.00 0.00 64.21 64.09 1k2u n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1k2u n LEU 624 N -1.12 -2.67 0.03 1.04 4.77 -0.18 -4.86 117.00 114.01 1k2u n LEU 624 Ca 0.10 -0.69 -0.01 0.00 -0.03 0.00 0.00 56.01 55.37 1k2u n LEU 624 Cb 0.32 -2.65 0.26 0.00 -2.33 0.00 0.00 43.42 39.03 1k2u n LEU 624 CO 0.28 0.48 0.82 4.11 -1.33 0.00 0.00 177.39 181.76 1k2u h TRP 625 N -2.13 0.48 -0.43 -1.77 5.08 -1.83 0.45 115.95 115.79 1k2u h TRP 625 Ca -0.57 -0.08 -0.05 0.00 1.08 0.00 0.00 58.89 59.27 1k2u h TRP 625 Cb 1.37 -0.13 -0.02 0.00 -3.00 0.00 0.00 29.16 27.39 1k2u h TRP 625 CO 0.56 0.59 0.07 0.87 -1.28 0.00 0.00 178.44 179.25 1k2u h LYS 626 N 0.41 0.72 -0.37 0.12 1.57 -1.90 -0.23 116.57 116.90 1k2u h LYS 626 Ca 0.07 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1k2u h LYS 626 Cb 0.51 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 1k2u h LYS 626 CO 0.03 0.75 0.13 -0.44 -0.57 0.00 0.00 179.45 179.35 1k2u h ASP 627 N 0.57 0.53 -0.07 0.86 5.19 -1.82 -0.98 116.42 120.70 1k2u h ASP 627 Ca 0.13 -0.19 0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1k2u h ASP 627 Cb 0.38 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.72 1k2u h ASP 627 CO 0.01 0.57 -0.09 -0.61 -3.12 0.00 0.00 179.24 176.00 1k2u h GLN 628 N 0.45 -0.11 0.77 3.56 4.15 -0.74 -2.39 115.11 120.81 1k2u h GLN 628 Ca 0.12 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 1k2u h GLN 628 Cb 0.22 0.03 0.01 0.00 0.21 0.00 0.00 27.48 27.94 1k2u h GLN 628 CO -0.01 -0.07 -0.38 0.00 -1.93 0.00 0.00 178.83 176.44 1k2u h ALA 629 N 0.93 -1.05 -1.00 3.38 0.00 -0.91 -3.03 119.26 117.59 1k2u h ALA 629 Ca 0.06 -0.23 0.23 0.00 0.00 0.00 0.00 54.91 54.97 1k2u h ALA 629 Cb 0.20 0.42 -0.19 0.00 0.00 0.00 0.00 17.79 18.22 1k2u h ALA 629 CO -0.14 -1.09 -0.15 1.25 0.00 0.00 0.00 179.25 179.12 1k2u h LEU 630 N -1.05 -0.77 0.52 0.00 5.85 -1.00 0.50 115.31 119.37 1k2u h LEU 630 Ca -0.11 0.29 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1k2u h LEU 630 Cb 0.81 0.57 -0.01 0.00 0.37 0.00 0.00 40.66 42.41 1k2u h LEU 630 CO 0.17 -0.34 -0.32 0.58 -0.34 0.00 0.00 178.44 178.18 1k2u h VAL 631 N 0.00 0.34 -0.70 1.05 2.07 -1.34 -1.79 116.25 115.88 1k2u h VAL 631 Ca 0.52 0.00 0.11 0.00 0.82 0.00 0.00 66.70 68.16 1k2u h VAL 631 Cb 0.92 0.34 -0.08 0.00 -1.52 0.00 0.00 31.29 30.94 1k2u h VAL 631 CO -0.99 0.00 0.29 -0.33 0.02 0.00 0.00 177.57 176.56 1k2u h GLU 632 N -0.80 0.46 -0.27 1.57 4.39 -0.86 -1.32 114.58 117.74 1k2u h GLU 632 Ca -0.06 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.66 1k2u h GLU 632 Cb 0.66 -0.10 -0.05 0.00 -0.10 0.00 0.00 28.75 29.16 1k2u h GLU 632 CO 0.06 0.30 -0.03 0.82 -1.16 0.00 0.00 179.01 179.00 1k2u h ILE 633 N 0.47 0.77 0.00 3.13 2.04 -0.84 -0.05 117.51 123.02 1k2u h ILE 633 Ca 0.36 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 66.21 1k2u h ILE 633 Cb 0.48 0.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 1k2u h ILE 633 CO -0.34 0.01 0.00 0.59 0.00 0.00 0.00 178.15 178.41 1k2u n ASN 634 N -5.20 0.67 -0.02 1.72 4.13 -0.65 -1.68 115.26 114.22 1k2u n ASN 634 Ca -0.01 0.68 -0.16 0.00 1.68 0.00 0.00 54.58 56.78 1k2u n ASN 634 Cb 0.15 -0.82 -0.09 0.00 -1.54 0.00 0.00 39.78 37.49 1k2u n ASN 634 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 1k2u h ILE 635 N 0.00 1.38 -0.61 2.41 1.08 0.03 -3.10 117.51 118.70 1k2u h ILE 635 Ca 0.00 -1.84 -0.04 0.00 -0.39 0.00 0.00 64.86 62.59 1k2u h ILE 635 Cb 0.31 2.24 -0.03 0.00 -3.07 0.00 0.00 36.82 36.28 1k2u h ILE 635 CO 0.00 0.55 0.23 0.00 -0.69 0.00 0.00 178.15 178.24 1k2u h ALA 636 N 0.46 0.79 0.85 1.87 0.00 -0.53 0.14 119.26 122.83 1k2u h ALA 636 Ca -0.04 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 1k2u h ALA 636 Cb 1.15 -0.24 0.01 0.00 0.00 0.00 0.00 17.79 18.71 1k2u h ALA 636 CO 0.10 0.42 -0.41 0.28 0.00 0.00 0.00 179.25 179.65 1k2u h VAL 637 N 0.85 0.12 -0.45 0.00 2.07 -1.53 0.13 116.25 117.44 1k2u h VAL 637 Ca 0.20 -0.07 0.07 0.00 0.82 0.00 0.00 66.70 67.72 1k2u h VAL 637 Cb 0.23 0.13 -0.06 0.00 -1.52 0.00 0.00 31.29 30.07 1k2u h VAL 637 CO -0.01 0.00 0.09 -0.07 0.02 0.00 0.00 177.57 177.60 1k2u h LEU 638 N -1.20 0.00 -0.32 2.57 3.38 -1.52 -1.80 115.31 116.42 1k2u h LEU 638 Ca -0.12 0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.98 1k2u h LEU 638 Cb 0.88 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.69 1k2u h LEU 638 CO 0.19 0.03 0.03 0.22 0.09 0.00 0.00 178.44 179.01 1k2u h TYR 639 N 0.22 0.04 0.52 1.13 3.20 -0.52 -1.85 116.97 119.71 1k2u h TYR 639 Ca 0.22 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.09 1k2u h TYR 639 Cb 0.29 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.58 1k2u h TYR 639 CO -0.22 -0.02 -0.31 0.77 -1.64 0.00 0.00 178.16 176.75 1k2u h SER 640 N 0.13 -0.76 -0.64 -2.11 0.02 -0.24 -1.63 113.55 108.32 1k2u h SER 640 Ca 0.15 0.04 0.11 0.00 -0.84 0.00 0.00 61.79 61.26 1k2u h SER 640 Cb 0.19 0.22 -0.08 0.00 0.14 0.00 0.00 62.40 62.87 1k2u h SER 640 CO -0.23 -0.49 0.20 -0.26 -1.14 0.00 0.00 176.83 174.91 1k2u h PHE 641 N -0.78 0.34 -0.74 3.45 -1.00 -1.19 -1.59 116.94 115.43 1k2u h PHE 641 Ca -0.06 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.71 1k2u h PHE 641 Cb 0.63 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 40.10 1k2u h PHE 641 CO -0.09 0.03 0.29 1.96 -1.61 0.00 0.00 178.31 178.90 1k2u h GLN 642 N 0.35 1.11 -0.26 1.51 4.20 -1.24 0.58 115.11 121.36 1k2u h GLN 642 Ca 0.34 -0.20 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 1k2u h GLN 642 Cb 0.48 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1k2u h GLN 642 CO -0.37 0.91 -0.05 0.77 -0.67 0.00 0.00 178.83 179.42 1k2u h SER 643 N 1.07 0.37 -0.58 1.46 0.02 -0.35 -1.24 113.55 114.30 1k2u h SER 643 Ca 0.25 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 1k2u h SER 643 Cb 0.22 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1k2u h SER 643 CO -0.02 0.48 0.00 0.47 -1.14 0.00 0.00 176.83 176.62 1k2u n ASP 644 N -4.28 3.25 -3.29 3.07 8.00 -0.80 -4.94 116.55 117.55 1k2u n ASP 644 Ca 0.01 -2.05 -0.23 0.00 0.71 0.00 0.00 54.79 53.22 1k2u n ASP 644 Cb 0.25 -0.41 0.01 0.00 -0.02 0.00 0.00 41.12 40.94 1k2u n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1k2u n LYS 645 N 1.17 -3.75 -3.43 -1.24 5.02 -0.47 -4.97 118.16 110.50 1k2u n LYS 645 Ca 0.20 0.57 -0.38 0.00 -2.02 0.00 0.00 58.31 56.68 1k2u n LYS 645 Cb 0.53 -5.31 -0.06 0.00 -0.02 0.00 0.00 35.03 30.16 1k2u n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1k2u s VAL 646 N -2.99 5.10 0.33 -0.18 1.01 0.11 -4.35 120.40 119.43 1k2u s VAL 646 Ca 0.38 0.87 -0.29 0.00 0.00 0.00 0.00 61.98 62.94 1k2u s VAL 646 Cb -0.19 -3.75 -0.11 0.00 0.00 0.00 0.00 36.38 32.32 1k2u s VAL 646 CO 0.47 0.47 1.56 -0.89 0.00 0.00 0.00 175.10 176.71 1k2u s THR 647 N -0.33 2.04 -0.11 3.92 2.01 0.11 -4.30 115.64 118.97 1k2u s THR 647 Ca 0.24 0.04 -0.30 0.00 0.31 0.00 0.00 61.69 61.97 1k2u s THR 647 Cb -0.16 -3.02 0.10 0.00 0.01 0.00 0.00 72.50 69.43 1k2u s THR 647 CO 0.12 0.01 0.86 -0.51 -0.69 0.00 0.00 174.62 174.40 1k2u s ILE 648 N -0.44 0.00 0.02 1.82 2.07 -1.26 -4.48 121.20 118.93 1k2u s ILE 648 Ca 0.59 0.00 0.05 0.00 -1.41 0.00 0.00 60.65 59.88 1k2u s ILE 648 Cb -0.47 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.10 1k2u s ILE 648 CO 0.54 0.00 -0.15 0.54 -1.91 0.00 0.00 174.94 173.96 1k2u s VAL 649 N -1.25 1.18 0.47 4.00 0.11 -0.24 -4.98 120.40 119.71 1k2u s VAL 649 Ca -0.05 -0.86 -0.04 0.00 -2.93 0.00 0.00 61.98 58.09 1k2u s VAL 649 Cb -0.00 -1.03 -0.03 0.00 -1.53 0.00 0.00 36.38 33.79 1k2u s VAL 649 CO 0.04 0.16 0.76 1.51 -3.33 0.00 0.00 175.10 174.24 1k2u s ASP 650 N -0.81 6.17 0.50 3.54 -4.77 -1.26 0.16 116.67 120.19 1k2u s ASP 650 Ca 0.04 0.80 0.16 0.00 -3.30 0.00 0.00 52.55 50.25 1k2u s ASP 650 Cb -0.07 -2.11 1.20 0.00 -1.09 0.00 0.00 42.92 40.85 1k2u s ASP 650 CO 0.01 -0.60 2.11 1.12 0.70 0.00 0.00 175.17 178.50 1k2u h HIS 651 N 0.26 0.00 -0.16 2.11 2.07 -1.97 -0.98 115.15 116.48 1k2u h HIS 651 Ca -0.47 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.01 1k2u h HIS 651 Cb 1.22 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.19 1k2u h HIS 651 CO 0.55 0.05 -0.05 0.45 -3.07 0.00 0.00 177.93 175.87 1k2u h HIS 652 N 0.00 0.37 -0.26 6.12 3.86 -1.96 -2.29 115.15 120.99 1k2u h HIS 652 Ca -0.00 -0.08 -0.19 0.00 -1.16 0.00 0.00 60.37 58.94 1k2u h HIS 652 Cb 0.10 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1k2u h HIS 652 CO 0.00 0.61 -0.59 0.77 0.86 0.00 0.00 177.93 179.58 1k2u h SER 653 N 0.02 0.96 0.02 2.45 0.02 -1.90 -2.17 113.55 112.97 1k2u h SER 653 Ca 0.04 -0.55 0.00 0.00 -0.84 0.00 0.00 61.79 60.44 1k2u h SER 653 Cb 0.49 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1k2u h SER 653 CO 0.02 1.34 -0.03 0.00 -1.14 0.00 0.00 176.83 177.02 1k2u h ALA 654 N 0.65 -0.05 -0.54 3.77 0.00 -1.22 -0.48 119.26 121.39 1k2u h ALA 654 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1k2u h ALA 654 Cb 1.20 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1k2u h ALA 654 CO 0.13 -0.53 -0.02 1.79 0.00 0.00 0.00 179.25 180.62 1k2u h THR 655 N -0.06 1.26 -0.56 0.00 1.35 -1.46 0.10 112.91 113.53 1k2u h THR 655 Ca 0.00 -1.12 -0.02 0.00 -0.55 0.00 0.00 66.41 64.72 1k2u h THR 655 Cb 0.07 0.86 -0.03 0.00 -1.73 0.00 0.00 68.15 67.32 1k2u h THR 655 CO -0.01 0.40 0.26 -0.08 -0.25 0.00 0.00 175.52 175.83 1k2u h GLU 656 N 0.86 0.82 -0.35 4.72 4.81 -1.23 -1.25 114.58 122.95 1k2u h GLU 656 Ca 0.16 -0.13 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1k2u h GLU 656 Cb 0.53 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 1k2u h GLU 656 CO 0.03 0.69 0.22 0.77 -0.73 0.00 0.00 179.01 179.98 1k2u h SER 657 N 0.77 0.42 -0.88 1.04 0.02 -0.65 -2.57 113.55 111.70 1k2u h SER 657 Ca 0.19 -0.04 0.04 0.00 -0.84 0.00 0.00 61.79 61.14 1k2u h SER 657 Cb 0.15 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.53 1k2u h SER 657 CO -0.02 0.33 0.58 0.15 -1.14 0.00 0.00 176.83 176.73 1k2u h PHE 658 N 0.46 1.06 -0.40 3.45 3.57 -0.58 -0.17 116.94 124.34 1k2u h PHE 658 Ca 0.13 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.66 1k2u h PHE 658 Cb -0.02 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.35 1k2u h PHE 658 CO -0.04 0.62 0.27 0.82 -2.23 0.00 0.00 178.31 177.74 1k2u h ILE 659 N 1.10 1.10 -0.53 1.41 1.08 -0.86 0.23 117.51 121.04 1k2u h ILE 659 Ca 0.35 -0.19 -0.00 0.00 -0.39 0.00 0.00 64.86 64.63 1k2u h ILE 659 Cb 0.02 0.51 -0.03 0.00 -3.07 0.00 0.00 36.82 34.26 1k2u h ILE 659 CO -0.10 0.10 0.32 0.50 -0.69 0.00 0.00 178.15 178.28 1k2u h LYS 660 N 0.54 0.71 -0.82 2.37 3.64 -0.96 -0.95 116.57 121.11 1k2u h LYS 660 Ca 0.15 -0.06 0.03 0.00 -1.27 0.00 0.00 60.65 59.49 1k2u h LYS 660 Cb -0.06 -0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 31.56 1k2u h LYS 660 CO -0.03 0.51 0.53 1.25 -2.27 0.00 0.00 179.45 179.44 1k2u h HIS 661 N 0.71 0.99 -0.75 1.91 2.76 -0.57 -1.03 115.15 119.17 1k2u h HIS 661 Ca 0.19 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.40 1k2u h HIS 661 Cb -0.02 -0.33 -0.04 0.00 1.55 0.00 0.00 27.41 28.57 1k2u h HIS 661 CO -0.03 0.58 0.49 0.52 -1.30 0.00 0.00 177.93 178.20 1k2u h MET 662 N 1.04 0.97 -0.18 5.26 2.86 0.20 0.15 114.93 125.23 1k2u h MET 662 Ca 0.32 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.84 1k2u h MET 662 Cb -0.02 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 1k2u h MET 662 CO -0.10 0.64 -0.18 0.93 1.06 0.00 0.00 176.91 179.26 1k2u h GLU 663 N 1.00 0.31 -0.04 1.72 5.08 -0.20 -0.73 114.58 121.72 1k2u h GLU 663 Ca 0.28 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 1k2u h GLU 663 Cb -0.09 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1k2u h GLU 663 CO -0.07 0.49 -0.27 -0.91 -1.00 0.00 0.00 179.01 177.25 1k2u h ASN 664 N 0.29 0.30 -0.24 1.42 2.35 -0.48 -3.17 115.58 116.04 1k2u h ASN 664 Ca 0.05 -0.69 0.02 0.00 -0.55 0.00 0.00 56.30 55.13 1k2u h ASN 664 Cb 0.49 -0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 1k2u h ASN 664 CO 0.03 0.95 0.16 -0.33 -1.65 0.00 0.00 177.43 176.59 1k2u h GLU 665 N -0.32 0.23 -0.23 0.81 4.39 -0.51 -0.57 114.58 118.37 1k2u h GLU 665 Ca -0.02 -0.01 -0.17 0.00 0.34 0.00 0.00 59.36 59.50 1k2u h GLU 665 Cb 0.96 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1k2u h GLU 665 CO 0.06 0.15 -0.53 1.88 -1.16 0.00 0.00 179.01 179.41 1k2u h TYR 666 N 0.23 0.83 0.00 4.33 -1.99 -1.15 0.56 116.97 119.79 1k2u h TYR 666 Ca 0.10 -0.29 -0.05 0.00 2.00 0.00 0.00 58.73 60.49 1k2u h TYR 666 Cb 0.11 -0.16 -0.01 0.00 2.00 0.00 0.00 36.73 38.67 1k2u h TYR 666 CO -0.00 1.05 -1.02 0.07 -0.00 0.00 0.00 178.16 178.26 1k2u h ARG 667 N 0.52 0.00 0.00 4.88 0.11 -1.43 -1.55 114.38 116.91 1k2u h ARG 667 Ca 0.02 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.96 1k2u h ARG 667 Cb 1.09 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.14 1k2u h ARG 667 CO 0.11 0.09 -1.91 0.00 0.10 0.00 0.00 179.97 178.36 1k2u n ARG 669 N -2.55 2.06 -0.97 0.00 0.63 0.12 -5.01 116.66 110.93 1k2u n ARG 669 Ca -0.13 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.80 1k2u n ARG 669 Cb 0.79 -0.80 0.00 0.00 0.45 0.00 0.00 32.46 32.90 1k2u n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1k2u n GLY 670 N 1.77 0.58 0.00 5.14 0.00 -0.59 -4.50 105.19 107.60 1k2u n GLY 670 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 1k2u n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2u n GLY 671 N -2.29 1.26 3.15 -0.02 0.00 -1.02 -0.26 105.19 106.00 1k2u n GLY 671 Ca 0.00 -1.15 0.04 0.00 0.00 0.00 0.00 46.02 44.91 1k2u n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2u n PRO 673 N 5.42 2.69 -3.75 0.00 -0.04 -1.26 -4.69 135.00 133.37 1k2u n PRO 673 Ca 0.04 0.98 -0.14 0.00 -0.04 0.00 0.00 63.50 64.35 1k2u n PRO 673 Cb 0.54 -2.85 -0.15 0.00 -0.04 0.00 0.00 33.50 31.00 1k2u n PRO 673 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k2u s ALA 674 N 2.42 -0.21 -0.57 0.55 0.00 -0.59 -4.09 121.76 119.28 1k2u s ALA 674 Ca 0.81 0.61 -0.17 0.00 0.00 0.00 0.00 51.96 53.21 1k2u s ALA 674 Cb -0.52 -0.41 0.12 0.00 0.00 0.00 0.00 23.12 22.31 1k2u s ALA 674 CO 0.38 -0.15 0.61 0.34 0.00 0.00 0.00 175.76 176.94 1k2u s ASP 675 N 1.12 6.19 0.23 0.00 -1.08 0.34 -3.76 116.67 119.71 1k2u s ASP 675 Ca -0.09 -1.62 -0.07 0.00 -0.52 0.00 0.00 52.55 50.26 1k2u s ASP 675 Cb -0.11 -2.26 0.39 0.00 -1.46 0.00 0.00 42.92 39.48 1k2u s ASP 675 CO -0.05 -0.99 1.70 -0.25 0.52 0.00 0.00 175.17 176.10 1k2u h TRP 676 N 9.03 0.27 -0.95 -5.34 7.01 -1.90 0.10 115.95 124.17 1k2u h TRP 676 Ca -0.29 0.04 0.15 0.00 2.11 0.00 0.00 58.89 60.90 1k2u h TRP 676 Cb 1.09 -0.01 -0.10 0.00 -2.10 0.00 0.00 29.16 28.04 1k2u h TRP 676 CO 0.79 -0.05 0.56 0.28 -2.79 0.00 0.00 178.44 177.23 1k2u h VAL 677 N 0.29 0.78 0.08 2.65 2.07 -1.92 -2.59 116.25 117.59 1k2u h VAL 677 Ca 0.38 -0.27 -0.31 0.00 0.82 0.00 0.00 66.70 67.31 1k2u h VAL 677 Cb 0.60 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 1k2u h VAL 677 CO -0.46 0.14 -1.71 -0.50 0.02 0.00 0.00 177.57 175.07 1k2u h TRP 678 N 0.78 0.29 -0.29 1.57 4.06 -1.71 -3.39 115.95 117.26 1k2u h TRP 678 Ca 0.52 -0.21 -0.01 0.00 2.06 0.00 0.00 58.89 61.24 1k2u h TRP 678 Cb 0.70 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.83 1k2u h TRP 678 CO -0.03 1.35 0.14 0.82 -3.56 0.00 0.00 178.44 177.16 1k2u h ILE 679 N 0.04 1.15 -2.56 1.49 1.08 -0.71 -3.42 117.51 114.58 1k2u h ILE 679 Ca -0.30 -0.43 -0.54 0.00 -0.39 0.00 0.00 64.86 63.19 1k2u h ILE 679 Cb 2.01 0.91 -0.00 0.00 -3.07 0.00 0.00 36.82 36.67 1k2u h ILE 679 CO 0.11 0.15 1.12 -0.69 -0.69 0.00 0.00 178.15 178.15 1k2u s VAL 680 N -5.72 3.48 0.64 1.67 1.01 -1.00 -4.91 120.40 115.56 1k2u s VAL 680 Ca -0.13 0.57 -0.17 0.00 0.00 0.00 0.00 61.98 62.25 1k2u s VAL 680 Cb 0.09 -3.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1k2u s VAL 680 CO 0.72 -0.06 0.72 -2.65 0.00 0.00 0.00 175.10 173.83 1k2u n PRO 681 N 7.23 0.57 0.00 2.72 -0.02 -1.26 -4.87 135.00 139.38 1k2u n PRO 681 Ca 0.18 0.23 0.02 0.00 -2.02 0.00 0.00 63.50 61.91 1k2u n PRO 681 Cb 0.42 -1.94 0.12 0.00 -0.02 0.00 0.00 33.50 32.08 1k2u n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1k2u n PRO 682 N -0.75 0.69 -3.79 0.52 -0.04 -1.26 -4.33 135.00 126.04 1k2u n PRO 682 Ca 0.12 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.45 1k2u n PRO 682 Cb 0.48 -1.09 -0.09 0.00 -0.04 0.00 0.00 33.50 32.76 1k2u n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k2u s MET 683 N -2.00 0.56 -1.33 0.54 0.23 -1.26 -4.90 119.30 111.14 1k2u s MET 683 Ca 0.06 -0.12 -0.05 0.00 -1.03 0.00 0.00 55.69 54.54 1k2u s MET 683 Cb 0.03 0.25 0.03 0.00 -1.53 0.00 0.00 34.83 33.61 1k2u s MET 683 CO 0.05 -0.14 0.36 0.43 -2.03 0.00 0.00 175.02 173.68 1k2u n SER 684 N 1.63 -4.57 -0.17 -1.18 7.64 -1.26 -4.90 113.62 110.82 1k2u n SER 684 Ca -0.20 -0.18 -0.04 0.00 1.01 0.00 0.00 58.87 59.45 1k2u n SER 684 Cb 0.56 -3.77 -0.04 0.00 -1.01 0.00 0.00 64.21 59.95 1k2u n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k2u n GLY 685 N -1.16 -2.68 0.04 0.23 0.00 -1.26 -1.63 105.19 98.73 1k2u n GLY 685 Ca -0.09 0.79 0.06 0.00 0.00 0.00 0.00 46.02 46.78 1k2u n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2u n SER 686 N -3.91 0.17 -0.78 1.61 3.41 -1.26 -2.14 113.62 110.73 1k2u n SER 686 Ca 0.01 0.56 0.10 0.00 -0.26 0.00 0.00 58.87 59.28 1k2u n SER 686 Cb 0.11 -0.59 0.29 0.00 -0.26 0.00 0.00 64.21 63.76 1k2u n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1k2u n ILE 687 N -1.71 0.38 -4.12 -1.33 -5.35 -0.64 -4.82 119.36 101.76 1k2u n ILE 687 Ca 0.02 -0.51 -0.31 0.00 -0.27 0.00 0.00 62.75 61.67 1k2u n ILE 687 Cb 0.11 0.51 -0.07 0.00 -1.74 0.00 0.00 39.64 38.45 1k2u n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1k2u s THR 688 N -1.62 4.39 0.24 7.28 -4.23 -0.91 -5.04 115.64 115.75 1k2u s THR 688 Ca 0.33 -0.71 -0.06 0.00 -1.18 0.00 0.00 61.69 60.08 1k2u s THR 688 Cb 0.18 -3.06 0.20 0.00 1.34 0.00 0.00 72.50 71.17 1k2u s THR 688 CO 0.26 0.22 1.85 -0.65 -0.54 0.00 0.00 174.62 175.76 1k2u h PRO 689 N 3.69 0.93 -0.01 3.99 0.11 -1.87 -2.80 132.00 136.04 1k2u h PRO 689 Ca -0.48 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1k2u h PRO 689 Cb 1.17 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 1k2u h PRO 689 CO 0.62 0.61 0.03 -0.39 -0.21 0.00 0.00 178.00 178.67 1k2u h VAL 690 N 0.95 0.09 -0.67 3.15 -1.51 -1.90 -2.17 116.25 114.19 1k2u h VAL 690 Ca 0.36 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.79 1k2u h VAL 690 Cb 0.14 0.97 -0.03 0.00 -2.13 0.00 0.00 31.29 30.24 1k2u h VAL 690 CO -0.16 0.00 0.27 0.15 -1.23 0.00 0.00 177.57 176.60 1k2u h PHE 691 N 0.00 0.99 -0.20 5.19 3.57 -1.70 -2.70 116.94 122.09 1k2u h PHE 691 Ca 0.00 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1k2u h PHE 691 Cb 0.07 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 38.51 1k2u h PHE 691 CO 0.00 0.75 0.00 0.72 -2.23 0.00 0.00 178.31 177.55 1k2u n HIS 692 N -4.31 0.25 -3.43 0.41 8.25 -0.82 -4.86 115.22 110.72 1k2u n HIS 692 Ca 0.06 -0.12 -0.40 0.00 -0.26 0.00 0.00 57.72 56.99 1k2u n HIS 692 Cb 0.17 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.18 1k2u n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1k2u s GLN 693 N -1.75 3.60 0.43 -0.41 2.00 -1.02 -0.68 119.66 121.83 1k2u s GLN 693 Ca 0.34 -0.41 -0.24 0.00 -2.00 0.00 0.00 55.36 53.04 1k2u s GLN 693 Cb 0.19 -3.79 -0.08 0.00 0.80 0.00 0.00 33.01 30.14 1k2u s GLN 693 CO 0.28 -0.48 1.20 -1.21 -0.50 0.00 0.00 175.29 174.59 1k2u s GLU 694 N 1.96 3.89 0.03 1.67 2.02 -1.01 -4.98 118.70 122.29 1k2u s GLU 694 Ca 0.11 1.90 0.03 0.00 0.02 0.00 0.00 54.97 57.02 1k2u s GLU 694 Cb -0.17 -2.58 -0.02 0.00 0.10 0.00 0.00 34.13 31.47 1k2u s GLU 694 CO 0.11 -0.47 -0.09 -1.64 0.02 0.00 0.00 175.26 173.19 1k2u s MET 695 N -2.45 0.59 -0.18 1.61 -1.94 -1.26 -4.72 119.30 110.95 1k2u s MET 695 Ca 0.60 -0.64 -0.05 0.00 -1.71 0.00 0.00 55.69 53.89 1k2u s MET 695 Cb -0.32 -0.46 -0.03 0.00 2.01 0.00 0.00 34.83 36.03 1k2u s MET 695 CO 0.40 0.10 -0.01 -0.51 -0.01 0.00 0.00 175.02 174.99 1k2u s LEU 696 N -1.19 3.28 -0.12 -0.03 1.43 -1.26 -4.90 118.68 115.90 1k2u s LEU 696 Ca -0.05 -0.16 -0.01 0.00 -1.03 0.00 0.00 54.13 52.88 1k2u s LEU 696 Cb -0.08 -1.82 -0.03 0.00 0.03 0.00 0.00 46.19 44.30 1k2u s LEU 696 CO 0.01 0.11 -0.07 0.21 0.23 0.00 0.00 176.35 176.83 1k2u s ASN 697 N 0.73 4.56 0.05 2.29 3.04 -1.25 -1.54 114.94 122.82 1k2u s ASN 697 Ca -0.00 -0.13 -0.27 0.00 0.04 0.00 0.00 52.86 52.50 1k2u s ASN 697 Cb -0.14 -1.50 0.09 0.00 -1.54 0.00 0.00 41.25 38.16 1k2u s ASN 697 CO 0.02 0.24 0.79 -0.72 -3.04 0.00 0.00 177.10 174.39 1k2u s TYR 698 N -0.10 -0.42 -0.11 0.43 -0.85 -1.26 -4.98 117.35 110.06 1k2u s TYR 698 Ca 0.01 0.27 -0.08 0.00 -0.52 0.00 0.00 57.07 56.75 1k2u s TYR 698 Cb -0.13 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.71 1k2u s TYR 698 CO 0.03 -0.65 0.16 1.03 -1.52 0.00 0.00 175.55 174.60 1k2u s ARG 699 N -3.29 3.48 0.03 -3.49 0.52 -1.26 -4.84 118.95 110.10 1k2u s ARG 699 Ca 0.03 -0.09 0.01 0.00 -0.52 0.00 0.00 55.73 55.17 1k2u s ARG 699 Cb -0.01 -3.19 -0.02 0.00 0.52 0.00 0.00 34.95 32.25 1k2u s ARG 699 CO -0.10 0.77 -0.06 -0.51 0.02 0.00 0.00 175.30 175.43 1k2u s LEU 700 N -1.05 2.20 0.19 2.53 1.43 -1.26 -3.45 118.68 119.26 1k2u s LEU 700 Ca 0.16 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 52.92 1k2u s LEU 700 Cb -0.12 -0.10 -0.04 0.00 0.03 0.00 0.00 46.19 45.96 1k2u s LEU 700 CO 0.05 -0.17 -0.07 0.42 0.23 0.00 0.00 176.35 176.81 1k2u s THR 701 N -1.11 3.31 0.69 5.49 -4.23 -1.26 -4.15 115.64 114.39 1k2u s THR 701 Ca -0.09 -1.63 -0.17 0.00 -1.18 0.00 0.00 61.69 58.62 1k2u s THR 701 Cb -0.08 -2.66 -0.00 0.00 1.34 0.00 0.00 72.50 71.10 1k2u s THR 701 CO -0.00 -0.13 1.06 -2.65 -0.54 0.00 0.00 174.62 172.36 1k2u n PRO 702 N -0.06 0.69 -3.96 3.99 -0.02 -1.26 -5.02 135.00 129.36 1k2u n PRO 702 Ca -0.10 0.29 -0.10 0.00 -2.02 0.00 0.00 63.50 61.57 1k2u n PRO 702 Cb 0.56 -2.30 -0.07 0.00 -0.02 0.00 0.00 33.50 31.66 1k2u n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1k2u s SER 703 N -1.55 0.02 -0.17 2.55 1.04 -0.91 -3.91 113.70 110.77 1k2u s SER 703 Ca 0.76 -0.86 -0.04 0.00 0.48 0.00 0.00 55.95 56.29 1k2u s SER 703 Cb -0.36 0.45 -0.03 0.00 0.10 0.00 0.00 66.02 66.18 1k2u s SER 703 CO 0.47 -0.91 -0.03 -0.36 0.98 0.00 0.00 173.24 173.40 1k2u s PHE 704 N -3.97 3.03 0.21 5.02 0.40 -1.26 -1.16 117.98 120.25 1k2u s PHE 704 Ca 0.17 -0.33 0.06 0.00 -0.60 0.00 0.00 56.93 56.23 1k2u s PHE 704 Cb 0.03 -1.99 -0.05 0.00 0.51 0.00 0.00 43.02 41.52 1k2u s PHE 704 CO 0.00 -0.08 -0.09 -1.21 0.70 0.00 0.00 175.22 174.55 1k2u s GLU 705 N 0.50 1.29 0.70 0.44 0.41 0.03 -4.94 118.70 117.14 1k2u s GLU 705 Ca -0.03 -1.60 -0.11 0.00 -0.41 0.00 0.00 54.97 52.82 1k2u s GLU 705 Cb -0.14 -0.88 0.01 0.00 -1.78 0.00 0.00 34.13 31.35 1k2u s GLU 705 CO 0.03 0.07 1.09 0.71 -0.49 0.00 0.00 175.26 176.66 1k2u s TYR 706 N -3.18 3.31 0.00 1.61 4.12 -1.26 -0.75 117.35 121.20 1k2u s TYR 706 Ca 0.23 1.09 -0.20 0.00 0.02 0.00 0.00 57.07 58.22 1k2u s TYR 706 Cb 0.02 -3.03 0.04 0.00 -1.52 0.00 0.00 41.96 37.47 1k2u s TYR 706 CO 0.06 -1.18 0.43 1.14 0.02 0.00 0.00 175.55 176.02 1k2u s GLN 707 N -5.31 0.85 0.31 -0.62 -2.07 -1.26 -4.73 119.66 106.83 1k2u s GLN 707 Ca 0.58 -0.16 -0.29 0.00 -1.82 0.00 0.00 55.36 53.68 1k2u s GLN 707 Cb -0.11 0.38 -0.13 0.00 -1.09 0.00 0.00 33.01 32.06 1k2u s GLN 707 CO 0.52 -0.27 1.28 -2.30 -1.32 0.00 0.00 175.29 173.21 1k2u n PRO 708 N 0.90 2.00 -1.64 9.60 -0.02 -1.26 -4.88 135.00 139.70 1k2u n PRO 708 Ca -0.20 0.70 -0.45 0.00 -2.02 0.00 0.00 63.50 61.53 1k2u n PRO 708 Cb 0.58 -2.27 -0.02 0.00 -0.02 0.00 0.00 33.50 31.76 1k2u n PRO 708 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1k2u n ASP 709 N 1.14 2.21 0.06 2.55 8.00 -1.26 -4.84 116.55 124.40 1k2u n ASP 709 Ca 0.07 1.16 0.08 0.00 0.71 0.00 0.00 54.79 56.80 1k2u n ASP 709 Cb 0.34 -1.37 0.52 0.00 -0.02 0.00 0.00 41.12 40.59 1k2u n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1k2u h PRO 710 N 3.41 0.33 0.00 -0.24 0.13 -1.91 -2.00 132.00 131.71 1k2u h PRO 710 Ca -0.44 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 1k2u h PRO 710 Cb 1.30 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 1k2u h PRO 710 CO 0.70 0.22 -0.48 0.11 -0.23 0.00 0.00 178.00 178.32 1k2u h TRP 711 N 0.34 0.00 -0.15 1.56 0.09 -1.95 -0.84 115.95 114.99 1k2u h TRP 711 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.12 1k2u h TRP 711 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.37 1k2u h TRP 711 CO -0.00 0.48 0.00 0.09 0.09 0.00 0.00 178.44 179.10 1k2u n ASN 712 N -3.55 1.62 0.00 0.11 5.03 -0.75 -3.92 115.26 113.79 1k2u n ASN 712 Ca -0.00 -2.13 0.00 0.00 0.87 0.00 0.00 54.58 53.32 1k2u n ASN 712 Cb 0.58 -0.36 0.00 0.00 -1.02 0.00 0.00 39.78 38.98 1k2u n ASN 712 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1k2u n THR 713 N 0.09 0.00 -3.40 3.41 -2.24 -1.09 -4.94 114.28 106.11 1k2u n THR 713 Ca 0.06 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.46 1k2u n THR 713 Cb 0.33 0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 1k2u n THR 713 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1k2u s HIS 714 N 0.00 3.71 -0.83 4.78 5.04 -0.34 -5.03 115.29 122.62 1k2u s HIS 714 Ca 0.00 1.05 -0.16 0.00 -1.54 0.00 0.00 55.06 54.41 1k2u s HIS 714 Cb 0.00 -2.40 0.18 0.00 0.04 0.00 0.00 32.58 30.40 1k2u s HIS 714 CO 0.00 0.54 0.86 0.14 -2.34 0.00 0.00 174.74 173.94 1k2u s VAL 715 N -0.76 5.27 -1.33 0.89 -7.23 -1.26 -5.01 120.40 110.96 1k2u s VAL 715 Ca 0.26 -2.04 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1k2u s VAL 715 Cb -0.17 -4.56 0.00 0.00 0.56 0.00 0.00 36.38 32.21 1k2u s VAL 715 CO 0.14 -1.17 0.33 0.79 -0.31 0.00 0.00 175.10 174.88