#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 -0.73 -0.12 -0.14 0.40 -1.26 -4.83 117.98 111.29 1k2u s PHE 300 Ca 0.00 1.57 0.03 0.00 -0.60 0.00 0.00 56.93 57.92 1k2u s PHE 300 Cb 0.00 0.35 0.01 0.00 0.51 0.00 0.00 43.02 43.89 1k2u s PHE 300 CO 0.00 -0.38 -0.20 -0.51 0.70 0.00 0.00 175.22 174.83 1k2u s LEU 301 N 1.14 1.99 0.12 -0.37 1.43 -0.96 -4.95 118.68 117.08 1k2u s LEU 301 Ca -0.07 -0.54 -0.14 0.00 -1.03 0.00 0.00 54.13 52.35 1k2u s LEU 301 Cb -0.06 -1.33 -0.07 0.00 0.03 0.00 0.00 46.19 44.76 1k2u s LEU 301 CO -0.11 0.08 0.53 -0.54 0.23 0.00 0.00 176.35 176.54 1k2u s LYS 302 N 0.77 3.98 -0.04 1.70 -0.14 -1.26 -0.26 119.74 124.50 1k2u s LYS 302 Ca -0.09 0.49 0.01 0.00 -1.36 0.00 0.00 55.97 55.02 1k2u s LYS 302 Cb -0.16 -2.99 0.02 0.00 -1.68 0.00 0.00 37.83 33.02 1k2u s LYS 302 CO 0.00 0.52 -0.06 0.54 -0.76 0.00 0.00 175.35 175.59 1k2u s VAL 303 N -1.40 0.59 0.03 3.17 0.11 -0.13 -4.96 120.40 117.82 1k2u s VAL 303 Ca 0.36 -0.19 0.09 0.00 -2.93 0.00 0.00 61.98 59.30 1k2u s VAL 303 Cb -0.16 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.09 1k2u s VAL 303 CO 0.19 0.22 -0.25 -0.75 -3.33 0.00 0.00 175.10 171.18 1k2u s LYS 304 N 0.67 1.79 -0.29 1.54 2.20 -1.26 0.22 119.74 124.61 1k2u s LYS 304 Ca -0.09 -1.03 -0.10 0.00 -0.36 0.00 0.00 55.97 54.39 1k2u s LYS 304 Cb -0.12 -1.90 -0.02 0.00 -1.51 0.00 0.00 37.83 34.28 1k2u s LYS 304 CO 0.00 0.50 0.15 1.21 -0.36 0.00 0.00 175.35 176.85 1k2u s ASN 305 N -1.07 5.57 0.00 1.43 3.84 0.09 -2.19 114.94 122.61 1k2u s ASN 305 Ca 0.11 -0.34 0.02 0.00 0.21 0.00 0.00 52.86 52.85 1k2u s ASN 305 Cb -0.10 -2.01 0.12 0.00 -0.55 0.00 0.00 41.25 38.71 1k2u s ASN 305 CO 0.01 -0.13 1.04 0.79 -2.79 0.00 0.00 177.10 176.02 1k2u n TRP 306 N 4.99 0.00 0.16 0.43 7.02 -0.28 -0.37 117.44 129.39 1k2u n TRP 306 Ca -0.14 0.00 0.05 0.00 -1.02 0.00 0.00 57.50 56.38 1k2u n TRP 306 Cb 0.50 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.33 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 -0.53 1.67 0.00 -0.99 2.13 -1.26 -4.61 120.64 117.05 1k2u n GLU 307 Ca 0.01 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.78 1k2u n GLU 307 Cb 0.01 -1.12 0.00 0.00 0.27 0.00 0.00 31.44 30.60 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 -1.60 0.00 -0.95 6.31 -2.24 -1.18 -5.00 114.28 109.62 1k2u n THR 308 Ca -0.00 -0.27 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1k2u n THR 308 Cb 0.21 1.00 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.54 -4.03 -4.72 3.42 8.00 0.50 -4.96 116.55 114.24 1k2u n ASP 309 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1k2u n ASP 309 Cb 0.00 -2.16 -0.03 0.00 -0.02 0.00 0.00 41.12 38.91 1k2u n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k2u s VAL 310 N -1.53 3.10 -0.04 2.53 1.01 -1.21 -4.76 120.40 119.50 1k2u s VAL 310 Ca 0.00 0.80 0.06 0.00 0.00 0.00 0.00 61.98 62.83 1k2u s VAL 310 Cb 0.00 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1k2u s VAL 310 CO 0.00 0.07 -0.21 -0.69 0.00 0.00 0.00 175.10 174.27 1k2u s VAL 311 N 1.04 2.52 0.10 2.92 1.01 -1.26 -0.73 120.40 126.00 1k2u s VAL 311 Ca 0.66 -0.93 0.09 0.00 0.00 0.00 0.00 61.98 61.79 1k2u s VAL 311 Cb -0.39 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1k2u s VAL 311 CO 0.31 0.58 -0.22 -0.76 0.00 0.00 0.00 175.10 175.02 1k2u s LEU 312 N -0.62 2.30 -0.22 3.92 1.43 0.13 -4.94 118.68 120.69 1k2u s LEU 312 Ca 0.09 -0.69 -0.05 0.00 -1.03 0.00 0.00 54.13 52.45 1k2u s LEU 312 Cb -0.11 -0.93 -0.02 0.00 0.03 0.00 0.00 46.19 45.17 1k2u s LEU 312 CO 0.00 0.08 -0.01 -0.89 0.23 0.00 0.00 176.35 175.76 1k2u s THR 313 N -1.14 3.78 -0.22 5.49 2.01 -1.26 -0.95 115.64 123.34 1k2u s THR 313 Ca 0.07 -0.36 -0.09 0.00 0.31 0.00 0.00 61.69 61.62 1k2u s THR 313 Cb -0.10 -2.72 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 1k2u s THR 313 CO 0.04 0.41 0.12 -0.62 -0.69 0.00 0.00 174.62 173.89 1k2u s ASP 314 N 1.29 5.90 0.00 3.53 -1.08 0.64 -4.62 116.67 122.33 1k2u s ASP 314 Ca 0.04 0.09 0.00 0.00 -0.52 0.00 0.00 52.55 52.16 1k2u s ASP 314 Cb -0.15 -2.05 0.00 0.00 -1.46 0.00 0.00 42.92 39.27 1k2u s ASP 314 CO 0.00 0.10 0.00 0.35 0.52 0.00 0.00 175.17 176.15 1k2u n THR 315 N 4.04 0.00 0.11 1.71 -2.24 0.13 -2.27 114.28 115.76 1k2u n THR 315 Ca -0.16 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.75 1k2u n THR 315 Cb 0.52 0.19 0.64 0.00 -2.10 0.00 0.00 70.33 69.58 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 0.06 -2.33 3.22 6.46 -1.18 -1.37 115.31 120.17 1k2u h LEU 316 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1k2u h LEU 316 Cb 0.16 -0.01 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1k2u h LEU 316 CO 0.00 0.04 0.00 1.12 -0.62 0.00 0.00 178.44 178.98 1k2u h HIS 317 N 0.06 0.00 -0.13 1.25 2.07 -1.84 -1.61 115.15 114.95 1k2u h HIS 317 Ca 0.13 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.63 1k2u h HIS 317 Cb 0.44 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.42 1k2u h HIS 317 CO -0.00 0.00 -0.02 -0.07 -3.07 0.00 0.00 177.93 174.77 1k2u h LEU 318 N 0.00 0.16 -0.03 6.12 3.38 -1.60 -1.76 115.31 121.58 1k2u h LEU 318 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1k2u h LEU 318 Cb 0.06 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1k2u h LEU 318 CO 0.00 0.21 -0.05 0.29 0.09 0.00 0.00 178.44 178.99 1k2u n LYS 319 N -4.41 0.28 -2.24 1.13 5.02 -0.61 -4.84 118.16 112.50 1k2u n LYS 319 Ca -0.01 -0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.83 1k2u n LYS 319 Cb 0.16 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 1k2u n LYS 319 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1k2u s SER 320 N -2.74 6.88 -0.13 4.39 1.04 -0.66 -4.89 113.70 117.59 1k2u s SER 320 Ca 0.22 2.17 0.00 0.00 0.48 0.00 0.00 55.95 58.82 1k2u s SER 320 Cb 0.20 -2.57 -0.08 0.00 0.10 0.00 0.00 66.02 63.66 1k2u s SER 320 CO 0.50 -0.66 -0.12 0.35 0.98 0.00 0.00 173.24 174.29 1k2u n THR 321 N 4.32 0.74 -1.25 2.02 -2.24 -1.24 -4.98 114.28 111.66 1k2u n THR 321 Ca 0.12 -0.27 -0.34 0.00 -2.27 0.00 0.00 64.05 61.29 1k2u n THR 321 Cb 0.44 -1.05 0.11 0.00 -2.10 0.00 0.00 70.33 67.73 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 -5.88 3.20 0.78 3.22 1.43 -1.26 -5.01 118.68 115.16 1k2u s LEU 322 Ca -0.18 2.33 -0.12 0.00 -1.03 0.00 0.00 54.13 55.13 1k2u s LEU 322 Cb 0.05 -4.58 0.06 0.00 0.03 0.00 0.00 46.19 41.74 1k2u s LEU 322 CO 0.29 -2.48 1.13 -1.61 0.23 0.00 0.00 176.35 173.91 1k2u s GLU 323 N -4.09 2.21 -0.01 1.70 2.02 -1.26 -4.51 118.70 114.76 1k2u s GLU 323 Ca 0.73 0.37 0.09 0.00 0.02 0.00 0.00 54.97 56.17 1k2u s GLU 323 Cb -0.28 -1.96 -0.13 0.00 0.10 0.00 0.00 34.13 31.86 1k2u s GLU 323 CO 0.49 -1.47 0.20 0.25 0.02 0.00 0.00 175.26 174.75 1k2u n THR 324 N -3.28 0.00 -0.03 3.63 -2.24 -1.26 -4.75 114.28 106.34 1k2u n THR 324 Ca 0.07 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1k2u n THR 324 Cb 0.58 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 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 1.96 0.47 3.78 3.38 0.00 -1.26 -4.96 105.19 108.57 1k2u n GLY 325 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 2.37 0.00 0.55 0.00 -2.24 -0.43 -4.98 114.28 109.54 1k2u n THR 327 Ca -0.19 -1.26 0.13 0.00 -2.27 0.00 0.00 64.05 60.46 1k2u n THR 327 Cb 0.54 -0.56 0.33 0.00 -2.10 0.00 0.00 70.33 68.54 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 -0.09 -0.78 5.08 -2.05 -3.21 114.58 113.53 1k2u h GLU 328 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1k2u h GLU 328 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 1k2u h GLU 328 CO 0.27 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 179.00 1k2u n HIS 329 N -2.38 0.09 -3.62 4.33 8.25 -1.26 -4.98 115.22 115.65 1k2u n HIS 329 Ca 0.05 -0.06 -0.14 0.00 -0.26 0.00 0.00 57.72 57.31 1k2u n HIS 329 Cb 0.45 -0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.49 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 -1.51 0.00 -0.18 1.59 2.07 -1.21 -5.14 121.20 116.82 1k2u s ILE 330 Ca 0.24 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.45 1k2u s ILE 330 Cb 0.16 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.74 1k2u s ILE 330 CO 0.24 0.00 -0.06 0.00 -1.91 0.00 0.00 174.94 173.21 1k2u n MET 332 N 4.11 2.64 0.28 0.00 0.00 -1.26 -4.80 117.12 118.10 1k2u n MET 332 Ca -0.18 -3.61 0.18 0.00 0.00 0.00 0.00 57.70 54.09 1k2u n MET 332 Cb 0.52 -2.06 0.97 0.00 0.00 0.00 0.00 33.22 32.65 1k2u n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1k2u h GLY 333 N 1.62 0.00 -2.63 3.03 0.00 -1.94 -1.77 103.07 101.38 1k2u h GLY 333 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.65 1k2u h GLY 333 CO 0.69 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 176.09 1k2u n SER 334 N -3.53 4.23 -4.70 0.19 3.41 -1.26 -4.84 113.62 107.12 1k2u n SER 334 Ca -0.01 -2.28 -0.40 0.00 -0.26 0.00 0.00 58.87 55.91 1k2u n SER 334 Cb 0.18 -0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 63.58 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 -1.52 4.99 0.07 -1.33 -1.09 -0.67 -5.00 121.20 116.66 1k2u s ILE 335 Ca 0.46 1.50 -0.32 0.00 -2.23 0.00 0.00 60.65 60.07 1k2u s ILE 335 Cb 0.28 -4.07 -0.18 0.00 -1.58 0.00 0.00 42.46 36.90 1k2u s ILE 335 CO 0.25 0.17 1.63 -0.03 -1.23 0.00 0.00 174.94 175.74 1k2u h MET 336 N 6.99 -0.81 -2.47 2.79 4.05 -1.92 -3.38 114.93 120.18 1k2u h MET 336 Ca -0.37 0.06 -0.60 0.00 -0.28 0.00 0.00 59.70 58.51 1k2u h MET 336 Cb 1.18 0.18 -0.41 0.00 -0.80 0.00 0.00 31.60 31.75 1k2u h MET 336 CO 0.78 -0.54 -0.74 1.28 0.23 0.00 0.00 176.91 177.91 1k2u n LEU 337 N -5.46 2.16 -0.60 3.39 4.77 -1.26 -5.18 117.00 114.82 1k2u n LEU 337 Ca -0.13 -5.05 0.00 0.00 -0.03 0.00 0.00 56.01 50.80 1k2u n LEU 337 Cb 0.35 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1k2u n LEU 337 CO 0.37 1.93 0.22 -2.65 -1.33 0.00 0.00 177.39 175.93 1k2u n PRO 338 N 1.65 0.74 -0.04 3.23 -0.02 -1.26 -5.22 135.00 134.07 1k2u n PRO 338 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1k2u n PRO 338 Cb 0.42 -1.32 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 1k2u n PRO 338 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1k2u n VAL 348 N 0.23 0.00 -3.28 -1.45 0.31 -1.26 -5.07 118.33 107.81 1k2u n VAL 348 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 1k2u n VAL 348 Cb 0.22 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.09 1k2u n VAL 348 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1k2u s ARG 349 N 0.00 3.96 0.30 5.55 0.52 -1.26 -5.07 118.95 122.95 1k2u s ARG 349 Ca 0.00 0.52 -0.07 0.00 -0.52 0.00 0.00 55.73 55.67 1k2u s ARG 349 Cb 0.00 -2.67 -0.06 0.00 0.52 0.00 0.00 34.95 32.74 1k2u s ARG 349 CO 0.00 0.31 0.59 0.99 0.02 0.00 0.00 175.30 177.22 1k2u s THR 350 N -1.75 4.96 0.29 0.02 2.01 -1.26 -4.93 115.64 114.99 1k2u s THR 350 Ca 0.47 0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.73 1k2u s THR 350 Cb -0.12 -3.72 0.29 0.00 0.01 0.00 0.00 72.50 68.96 1k2u s THR 350 CO 0.19 -0.32 1.79 0.07 -0.69 0.00 0.00 174.62 175.66 1k2u h LYS 351 N 1.73 0.79 -0.75 4.92 2.10 -1.94 0.18 116.57 123.60 1k2u h LYS 351 Ca -0.47 -0.05 -0.01 0.00 -2.00 0.00 0.00 60.65 58.12 1k2u h LYS 351 Cb 1.19 -0.18 -0.04 0.00 -0.90 0.00 0.00 32.23 32.30 1k2u h LYS 351 CO 0.66 0.52 0.42 0.38 -2.00 0.00 0.00 179.45 179.43 1k2u h ASP 352 N 0.81 0.92 0.59 7.07 2.03 -1.95 -2.01 116.42 123.88 1k2u h ASP 352 Ca 0.54 -0.09 -0.11 0.00 -0.73 0.00 0.00 57.03 56.64 1k2u h ASP 352 Cb 0.75 -0.23 -0.02 0.00 -0.83 0.00 0.00 39.33 39.00 1k2u h ASP 352 CO -0.35 0.74 -0.54 1.56 -1.03 0.00 0.00 179.24 179.63 1k2u h GLN 353 N 1.03 0.00 0.02 4.15 4.20 -1.62 -3.37 115.11 119.52 1k2u h GLN 353 Ca 0.26 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 1k2u h GLN 353 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 1k2u h GLN 353 CO -0.04 0.54 -0.01 1.25 -0.67 0.00 0.00 178.83 179.89 1k2u h LEU 354 N 0.00 -0.02 -0.40 1.46 5.85 -0.27 -3.35 115.31 118.58 1k2u h LEU 354 Ca -0.01 -0.50 0.07 0.00 0.84 0.00 0.00 57.88 58.28 1k2u h LEU 354 Cb 0.98 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.95 1k2u h LEU 354 CO 0.07 0.50 0.03 0.15 -0.34 0.00 0.00 178.44 178.85 1k2u h PHE 355 N -0.55 0.03 -0.97 1.25 3.57 -1.65 -1.45 116.94 117.17 1k2u h PHE 355 Ca -0.00 0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.64 1k2u h PHE 355 Cb 0.52 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 39.23 1k2u h PHE 355 CO 0.10 -0.05 0.62 -1.00 -2.23 0.00 0.00 178.31 175.75 1k2u h PRO 356 N 0.14 0.91 -0.47 6.41 0.13 -1.79 0.31 132.00 137.64 1k2u h PRO 356 Ca 0.20 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 65.22 1k2u h PRO 356 Cb 0.27 -0.21 -0.02 0.00 0.13 0.00 0.00 31.00 31.17 1k2u h PRO 356 CO -0.30 0.60 0.09 -0.07 -0.23 0.00 0.00 178.00 178.09 1k2u h LEU 357 N 0.94 0.74 -0.39 1.56 3.38 -1.53 -1.63 115.31 118.38 1k2u h LEU 357 Ca 0.47 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 1k2u h LEU 357 Cb 0.50 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1k2u h LEU 357 CO -0.24 0.80 0.12 0.00 0.09 0.00 0.00 178.44 179.22 1k2u h ALA 358 N 0.97 0.51 0.36 1.53 0.00 -0.14 -2.62 119.26 119.87 1k2u h ALA 358 Ca 0.15 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1k2u h ALA 358 Cb 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1k2u h ALA 358 CO 0.01 0.15 -0.30 -0.22 0.00 0.00 0.00 179.25 178.89 1k2u h LYS 359 N 0.48 -0.65 -0.92 0.00 3.64 -0.20 0.11 116.57 119.03 1k2u h LYS 359 Ca 0.12 0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1k2u h LYS 359 Cb 0.26 0.15 -0.05 0.00 -0.41 0.00 0.00 32.23 32.17 1k2u h LYS 359 CO -0.00 -0.43 0.60 1.05 -2.27 0.00 0.00 179.45 178.40 1k2u h GLU 360 N -0.67 1.11 0.42 1.90 4.11 -1.33 0.32 114.58 120.44 1k2u h GLU 360 Ca -0.03 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.32 1k2u h GLU 360 Cb 0.59 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1k2u h GLU 360 CO -0.02 0.73 -0.20 0.35 0.07 0.00 0.00 179.01 179.94 1k2u h PHE 361 N 1.14 -0.53 0.00 2.06 3.57 -1.12 -1.22 116.94 120.84 1k2u h PHE 361 Ca 0.37 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 1k2u h PHE 361 Cb 0.05 0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.96 1k2u h PHE 361 CO -0.00 -0.28 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.69 1k2u h LEU 362 N -0.65 0.00 -0.45 0.59 3.38 -0.21 0.12 115.31 118.10 1k2u h LEU 362 Ca -0.06 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 1k2u h LEU 362 Cb 0.48 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 1k2u h LEU 362 CO 0.10 0.03 -0.37 0.44 0.09 0.00 0.00 178.44 178.73 1k2u h ASP 363 N 0.00 0.94 0.28 -0.43 5.19 0.03 -1.88 116.42 120.55 1k2u h ASP 363 Ca -0.00 -0.42 -0.01 0.00 -0.62 0.00 0.00 57.03 55.97 1k2u h ASP 363 Cb 0.07 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.32 1k2u h ASP 363 CO 0.00 1.20 -0.13 1.56 -3.12 0.00 0.00 179.24 178.75 1k2u h GLN 364 N 0.73 -0.36 -0.16 3.56 4.20 0.12 -0.96 115.11 122.25 1k2u h GLN 364 Ca 0.06 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.82 1k2u h GLN 364 Cb 0.95 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.78 1k2u h GLN 364 CO 0.09 -0.05 -0.22 -0.92 -0.67 0.00 0.00 178.83 177.06 1k2u h TYR 365 N -0.67 -0.67 -0.62 2.96 3.20 -1.03 0.43 116.97 120.57 1k2u h TYR 365 Ca -0.04 0.03 0.12 0.00 3.14 0.00 0.00 58.73 61.99 1k2u h TYR 365 Cb 0.47 0.31 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 1k2u h TYR 365 CO 0.02 -0.19 0.42 1.88 -1.64 0.00 0.00 178.16 178.65 1k2u h TYR 366 N -0.16 0.35 -0.49 -3.82 -1.99 -1.40 0.16 116.97 109.62 1k2u h TYR 366 Ca 0.03 0.01 -0.09 0.00 2.00 0.00 0.00 58.73 60.68 1k2u h TYR 366 Cb 0.23 -0.11 -0.02 0.00 2.00 0.00 0.00 36.73 38.83 1k2u h TYR 366 CO -0.65 0.15 -0.05 1.03 -0.00 0.00 0.00 178.16 178.65 1k2u h SER 367 N 0.32 0.90 0.33 3.88 0.87 0.37 -0.08 113.55 120.13 1k2u h SER 367 Ca 0.30 -0.33 -0.05 0.00 -1.23 0.00 0.00 61.79 60.48 1k2u h SER 367 Cb 0.73 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.44 1k2u h SER 367 CO -0.07 1.01 -0.22 0.77 -0.53 0.00 0.00 176.83 177.79 1k2u h SER 368 N 0.76 0.00 -0.62 6.23 4.64 0.27 -1.53 113.55 123.29 1k2u h SER 368 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1k2u h SER 368 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1k2u h SER 368 CO 0.03 0.22 0.00 2.30 -0.87 0.00 0.00 176.83 178.51 1k2u n ILE 369 N -3.98 0.86 -3.48 0.95 -5.35 -0.81 -4.96 119.36 102.59 1k2u n ILE 369 Ca -0.02 -0.84 -0.23 0.00 -0.27 0.00 0.00 62.75 61.39 1k2u n ILE 369 Cb 0.30 0.40 0.05 0.00 -1.74 0.00 0.00 39.64 38.65 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 1.31 -1.64 -0.81 6.28 5.02 -0.58 -4.91 118.16 122.84 1k2u n LYS 370 Ca 0.21 0.68 -0.01 0.00 -2.02 0.00 0.00 58.31 57.18 1k2u n LYS 370 Cb 0.53 -4.86 -0.01 0.00 -0.02 0.00 0.00 35.03 30.67 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 -3.64 0.00 -1.95 1.97 5.12 -0.08 -5.04 116.66 113.03 1k2u n ARG 371 Ca -0.08 -0.89 -0.41 0.00 -1.93 0.00 0.00 57.85 54.54 1k2u n ARG 371 Cb 0.60 -0.03 -0.02 0.00 -1.16 0.00 0.00 32.46 31.85 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 0.00 2.90 0.00 -1.55 5.36 -1.11 -1.92 117.98 121.65 1k2u s PHE 372 Ca 0.07 1.10 0.00 0.00 -0.96 0.00 0.00 56.93 57.13 1k2u s PHE 372 Cb 0.08 -3.87 0.00 0.00 -0.34 0.00 0.00 43.02 38.89 1k2u s PHE 372 CO -0.03 -2.71 0.00 0.41 -1.46 0.00 0.00 175.22 171.43 1k2u n GLY 373 N 1.55 2.64 3.00 13.12 0.00 -1.26 -5.00 105.19 119.24 1k2u n GLY 373 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 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 0.00 -3.87 0.03 1.61 3.41 -0.81 -4.70 113.62 109.29 1k2u n SER 374 Ca 0.00 -0.75 -0.19 0.00 -0.26 0.00 0.00 58.87 57.67 1k2u n SER 374 Cb 0.00 -0.90 -0.11 0.00 -0.26 0.00 0.00 64.21 62.94 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 0.00 0.54 -0.59 4.33 3.64 -1.94 -2.44 116.57 120.11 1k2u h LYS 375 Ca -0.33 -0.61 0.04 0.00 -1.27 0.00 0.00 60.65 58.48 1k2u h LYS 375 Cb 1.13 0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 1k2u h LYS 375 CO 0.20 1.23 0.39 0.00 -2.27 0.00 0.00 179.45 179.00 1k2u h ALA 376 N 0.33 1.73 0.22 5.00 0.00 -1.91 -0.59 119.26 124.04 1k2u h ALA 376 Ca -0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1k2u h ALA 376 Cb 1.54 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1k2u h ALA 376 CO 0.17 0.19 -0.10 1.25 0.00 0.00 0.00 179.25 180.76 1k2u h HIS 377 N 0.65 -0.27 -0.30 0.00 -0.00 -1.78 -2.24 115.15 111.22 1k2u h HIS 377 Ca 0.24 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.61 1k2u h HIS 377 Cb 0.15 0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.63 1k2u h HIS 377 CO -0.00 0.09 0.20 0.52 -0.00 0.00 0.00 177.93 178.73 1k2u h MET 378 N -0.69 0.39 -0.63 5.26 2.07 -1.07 -2.06 114.93 118.21 1k2u h MET 378 Ca -0.03 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.56 1k2u h MET 378 Cb 0.48 -0.09 -0.03 0.00 -1.87 0.00 0.00 31.60 30.09 1k2u h MET 378 CO 0.05 0.27 0.35 -0.44 1.07 0.00 0.00 176.91 178.20 1k2u h ASP 379 N 0.40 0.77 -0.56 1.22 3.32 -1.19 0.71 116.42 121.09 1k2u h ASP 379 Ca 0.11 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 1k2u h ASP 379 Cb -0.04 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1k2u h ASP 379 CO -0.02 0.62 0.08 -0.09 -1.72 0.00 0.00 179.24 178.10 1k2u h ARG 380 N 0.87 0.98 -0.39 3.56 9.65 -1.03 0.46 114.38 128.48 1k2u h ARG 380 Ca 0.22 -0.25 -0.07 0.00 -1.10 0.00 0.00 59.98 58.78 1k2u h ARG 380 Cb 0.02 -0.12 -0.01 0.00 -1.39 0.00 0.00 29.97 28.47 1k2u h ARG 380 CO -0.04 0.91 -0.01 -0.07 2.80 0.00 0.00 179.97 183.57 1k2u h LEU 381 N 0.92 0.69 -0.30 3.80 3.38 -0.59 0.28 115.31 123.48 1k2u h LEU 381 Ca 0.18 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1k2u h LEU 381 Cb 0.43 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1k2u h LEU 381 CO 0.01 0.84 0.07 -0.08 0.09 0.00 0.00 178.44 179.37 1k2u h GLU 382 N 0.52 0.48 -0.20 1.13 4.81 -0.57 0.12 114.58 120.87 1k2u h GLU 382 Ca 0.11 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1k2u h GLU 382 Cb 0.49 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1k2u h GLU 382 CO 0.02 0.56 0.02 1.49 -0.73 0.00 0.00 179.01 180.38 1k2u h GLU 383 N 0.32 0.09 -0.24 1.92 4.81 0.06 -1.63 114.58 119.92 1k2u h GLU 383 Ca 0.09 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1k2u h GLU 383 Cb 0.30 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 1k2u h GLU 383 CO 0.00 0.06 0.04 0.28 -0.73 0.00 0.00 179.01 178.67 1k2u h VAL 384 N 0.10 1.22 -0.33 0.32 2.07 -0.83 -1.64 116.25 117.16 1k2u h VAL 384 Ca 0.09 -0.75 0.06 0.00 0.82 0.00 0.00 66.70 66.93 1k2u h VAL 384 Cb 0.10 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.08 1k2u h VAL 384 CO -0.14 0.24 -0.03 -1.13 0.02 0.00 0.00 177.57 176.52 1k2u h ASN 385 N 0.20 -0.21 0.27 0.57 -1.24 -0.82 -0.28 115.58 114.08 1k2u h ASN 385 Ca 0.07 0.09 -0.01 0.00 0.71 0.00 0.00 56.30 57.16 1k2u h ASN 385 Cb 0.32 0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.52 1k2u h ASN 385 CO 0.00 -0.07 -0.17 0.11 -1.29 0.00 0.00 177.43 176.02 1k2u h LYS 386 N 0.05 -0.41 -0.99 6.67 1.57 -1.21 -1.56 116.57 120.69 1k2u h LYS 386 Ca 0.16 0.03 0.13 0.00 -1.87 0.00 0.00 60.65 59.10 1k2u h LYS 386 Cb 0.23 0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.55 1k2u h LYS 386 CO -0.30 -0.28 0.62 1.49 -0.57 0.00 0.00 179.45 180.42 1k2u h GLU 387 N -0.43 0.91 -0.32 3.15 4.81 -0.95 -0.82 114.58 120.93 1k2u h GLU 387 Ca -0.03 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 1k2u h GLU 387 Cb 0.36 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1k2u h GLU 387 CO 0.03 0.60 -0.05 0.82 -0.73 0.00 0.00 179.01 179.67 1k2u h ILE 388 N 0.94 1.27 -0.67 2.32 2.04 -0.79 0.27 117.51 122.90 1k2u h ILE 388 Ca 0.50 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 1k2u h ILE 388 Cb 0.56 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 1k2u h ILE 388 CO -0.27 0.35 0.39 -0.08 0.00 0.00 0.00 178.15 178.54 1k2u h GLU 389 N 0.37 0.91 0.19 2.37 4.81 -0.25 1.28 114.58 124.27 1k2u h GLU 389 Ca 0.08 -0.09 -0.32 0.00 -0.13 0.00 0.00 59.36 58.90 1k2u h GLU 389 Cb 0.53 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 29.74 1k2u h GLU 389 CO 0.03 0.66 -1.52 0.66 -0.73 0.00 0.00 179.01 178.10 1k2u h SER 390 N 0.91 0.64 -0.00 1.04 4.64 -1.15 -3.38 113.55 116.24 1k2u h SER 390 Ca 0.24 -0.92 0.00 0.00 -0.47 0.00 0.00 61.79 60.64 1k2u h SER 390 Cb -0.01 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 61.88 1k2u h SER 390 CO -0.04 1.70 -0.70 0.35 -0.87 0.00 0.00 176.83 177.26 1k2u n THR 391 N -3.74 0.00 0.00 2.95 -2.24 0.95 -4.99 114.28 107.21 1k2u n THR 391 Ca -0.21 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1k2u n THR 391 Cb 1.03 1.07 0.00 0.00 -2.10 0.00 0.00 70.33 70.33 1k2u n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1k2u n SER 392 N -0.98 0.00 0.00 3.42 7.64 0.44 -4.88 113.62 119.26 1k2u n SER 392 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1k2u n SER 392 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 1k2u n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1k2u n THR 393 N 0.00 0.00 -3.65 0.44 5.66 -1.26 -4.60 114.28 110.87 1k2u n THR 393 Ca 0.00 0.00 -0.03 0.00 -3.05 0.00 0.00 64.05 60.97 1k2u n THR 393 Cb 0.00 -0.22 -0.07 0.00 -1.55 0.00 0.00 70.33 68.50 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 1.79 -0.18 -0.05 1.09 -0.85 -1.26 -2.92 117.35 114.98 1k2u s TYR 394 Ca 0.00 0.41 -0.19 0.00 -0.52 0.00 0.00 57.07 56.77 1k2u s TYR 394 Cb 0.00 0.37 -0.05 0.00 0.38 0.00 0.00 41.96 42.66 1k2u s TYR 394 CO 0.00 -0.09 0.52 -0.65 -1.52 0.00 0.00 175.55 173.81 1k2u s GLN 395 N 0.35 4.26 0.40 -3.49 -1.52 -1.26 -5.02 119.66 113.39 1k2u s GLN 395 Ca 0.03 0.58 -0.19 0.00 -1.95 0.00 0.00 55.36 53.82 1k2u s GLN 395 Cb -0.04 -3.36 -0.10 0.00 -0.22 0.00 0.00 33.01 29.28 1k2u s GLN 395 CO -0.13 0.33 0.90 -0.51 -0.25 0.00 0.00 175.29 175.63 1k2u s LEU 396 N 0.00 3.97 0.71 2.90 1.43 -1.26 -5.06 118.68 121.38 1k2u s LEU 396 Ca 0.28 1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 54.86 1k2u s LEU 396 Cb -0.17 -4.43 0.02 0.00 0.03 0.00 0.00 46.19 41.65 1k2u s LEU 396 CO 0.14 -0.32 1.07 -0.54 0.23 0.00 0.00 176.35 176.92 1k2u s LYS 397 N -3.14 2.80 0.27 1.70 -0.14 -1.26 -4.82 119.74 115.15 1k2u s LYS 397 Ca 0.60 0.96 -0.04 0.00 -1.36 0.00 0.00 55.97 56.13 1k2u s LYS 397 Cb -0.09 -1.97 0.33 0.00 -1.68 0.00 0.00 37.83 34.41 1k2u s LYS 397 CO 0.14 -1.20 1.94 -0.44 -0.76 0.00 0.00 175.35 175.03 1k2u h ASP 398 N -0.79 1.08 -0.67 2.83 5.19 -1.99 0.19 116.42 122.25 1k2u h ASP 398 Ca -0.44 -0.03 -0.06 0.00 -0.62 0.00 0.00 57.03 55.88 1k2u h ASP 398 Cb 1.22 -0.27 -0.03 0.00 0.18 0.00 0.00 39.33 40.43 1k2u h ASP 398 CO 0.56 0.78 0.18 0.71 -3.12 0.00 0.00 179.24 178.35 1k2u h THR 399 N 1.27 1.26 -0.54 0.35 1.35 -1.99 -1.79 112.91 112.81 1k2u h THR 399 Ca 0.34 -0.93 -0.12 0.00 -0.55 0.00 0.00 66.41 65.15 1k2u h THR 399 Cb -0.14 0.58 -0.02 0.00 -1.73 0.00 0.00 68.15 66.84 1k2u h THR 399 CO -0.07 0.36 -0.13 -0.33 -0.25 0.00 0.00 175.52 175.10 1k2u h GLU 400 N 1.00 1.03 -0.47 4.72 5.08 -1.76 -1.52 114.58 122.67 1k2u h GLU 400 Ca 0.21 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1k2u h GLU 400 Cb 0.35 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1k2u h GLU 400 CO 0.00 1.09 0.23 1.25 -1.00 0.00 0.00 179.01 180.57 1k2u h LEU 401 N 0.91 0.62 -0.89 1.33 5.85 -0.72 0.18 115.31 122.59 1k2u h LEU 401 Ca 0.14 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1k2u h LEU 401 Cb 0.70 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1k2u h LEU 401 CO 0.05 0.57 -0.01 0.40 -0.34 0.00 0.00 178.44 179.11 1k2u h ILE 402 N 0.62 1.25 -0.30 4.05 2.04 -1.24 -1.14 117.51 122.79 1k2u h ILE 402 Ca 0.16 -1.03 -0.08 0.00 1.00 0.00 0.00 64.86 64.91 1k2u h ILE 402 Cb 0.12 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 1k2u h ILE 402 CO -0.02 0.36 -0.12 0.22 0.00 0.00 0.00 178.15 178.59 1k2u h TYR 403 N 0.74 0.69 0.00 1.37 3.20 -0.94 -2.72 116.97 119.31 1k2u h TYR 403 Ca 0.14 -0.16 -0.00 0.00 3.14 0.00 0.00 58.73 61.85 1k2u h TYR 403 Cb 0.47 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.58 1k2u h TYR 403 CO 0.03 0.82 -0.00 0.78 -1.64 0.00 0.00 178.16 178.15 1k2u h GLY 404 N 0.36 -0.01 0.92 1.82 0.00 -0.33 -2.28 103.07 103.56 1k2u h GLY 404 Ca 0.07 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.41 1k2u h GLY 404 CO 0.04 -0.00 0.10 0.00 0.00 0.00 0.00 176.54 176.68 1k2u h ALA 405 N 0.99 0.24 -0.51 3.60 0.00 -1.23 0.34 119.26 122.68 1k2u h ALA 405 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1k2u h ALA 405 Cb 0.01 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1k2u h ALA 405 CO 0.00 -0.31 0.34 0.87 0.00 0.00 0.00 179.25 180.15 1k2u h LYS 406 N 0.22 0.60 0.00 0.00 1.57 -1.45 -1.96 116.57 115.55 1k2u h LYS 406 Ca 0.08 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.66 1k2u h LYS 406 Cb 0.02 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1k2u h LYS 406 CO -0.05 0.40 -0.80 0.45 -0.57 0.00 0.00 179.45 178.87 1k2u h HIS 407 N 0.62 0.00 -0.42 -1.35 3.86 -0.77 0.96 115.15 118.04 1k2u h HIS 407 Ca 0.20 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.40 1k2u h HIS 407 Cb 0.04 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.49 1k2u h HIS 407 CO -0.00 0.80 0.21 0.00 0.86 0.00 0.00 177.93 179.80 1k2u h ALA 408 N 1.20 0.55 0.22 2.45 0.00 -0.22 0.21 119.26 123.67 1k2u h ALA 408 Ca -0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1k2u h ALA 408 Cb 1.56 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1k2u h ALA 408 CO 0.10 0.10 -0.11 2.35 0.00 0.00 0.00 179.25 181.70 1k2u h TRP 409 N 0.55 -0.28 -0.84 0.00 7.01 -1.33 -2.48 115.95 118.58 1k2u h TRP 409 Ca 0.15 -0.01 0.23 0.00 2.11 0.00 0.00 58.89 61.37 1k2u h TRP 409 Cb 0.10 0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.21 1k2u h TRP 409 CO -0.01 -0.07 0.59 -0.09 -2.79 0.00 0.00 178.44 176.07 1k2u h ARG 410 N -0.45 0.09 -0.01 2.65 2.43 -0.37 -0.13 114.38 118.60 1k2u h ARG 410 Ca -0.03 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1k2u h ARG 410 Cb 0.34 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 1k2u h ARG 410 CO 0.05 0.06 -0.28 0.09 -1.51 0.00 0.00 179.97 178.38 1k2u n ASN 411 N -4.34 1.23 -4.56 -3.80 3.02 0.69 -4.83 115.26 102.66 1k2u n ASN 411 Ca 0.17 -1.03 -0.23 0.00 -0.03 0.00 0.00 54.58 53.46 1k2u n ASN 411 Cb 0.84 0.18 -0.06 0.00 -0.61 0.00 0.00 39.78 40.14 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 -2.47 1.40 0.59 5.41 0.00 -0.06 -4.76 121.76 121.87 1k2u s ALA 412 Ca 0.24 -1.35 0.31 0.00 0.00 0.00 0.00 51.96 51.16 1k2u s ALA 412 Cb 0.19 -4.57 1.68 0.00 0.00 0.00 0.00 23.12 20.42 1k2u s ALA 412 CO 0.52 -5.15 1.94 0.66 0.00 0.00 0.00 175.76 173.73 1k2u h SER 413 N 11.59 0.00 -0.02 0.00 4.64 -1.88 -0.36 113.55 127.52 1k2u h SER 413 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1k2u h SER 413 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 1k2u h SER 413 CO 1.16 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.66 1k2u n ARG 414 N -2.84 1.85 -3.42 4.77 1.74 -1.26 0.07 116.66 117.58 1k2u n ARG 414 Ca -0.02 -1.24 -0.39 0.00 -0.77 0.00 0.00 57.85 55.43 1k2u n ARG 414 Cb 0.32 -1.47 -0.09 0.00 -1.02 0.00 0.00 32.46 30.19 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 5.36 0.00 -0.43 0.00 3.04 -1.89 -3.32 116.25 119.01 1k2u h VAL 416 Ca -0.32 -0.52 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 1k2u h VAL 416 Cb 1.17 1.29 0.00 0.00 -2.01 0.00 0.00 31.29 31.73 1k2u h VAL 416 CO 0.63 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.80 1k2u n GLY 417 N 1.31 2.58 0.08 3.17 0.00 -1.26 -4.47 105.19 106.60 1k2u n GLY 417 Ca 0.04 -0.68 0.06 0.00 0.00 0.00 0.00 46.02 45.44 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 0.47 0.07 0.24 1.61 1.74 -1.25 -2.29 116.66 117.26 1k2u n ARG 418 Ca 0.21 0.54 0.17 0.00 -0.77 0.00 0.00 57.85 58.00 1k2u n ARG 418 Cb 0.95 -1.72 0.87 0.00 -1.02 0.00 0.00 32.46 31.54 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 0.43 -0.07 0.55 2.10 -1.90 0.32 117.51 118.94 1k2u h ILE 419 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1k2u h ILE 419 Cb 0.03 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 36.64 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 -3.72 1.78 -0.40 2.19 1.13 -0.97 -4.62 117.38 112.77 1k2u n GLN 420 Ca 0.00 -1.15 0.34 0.00 -1.94 0.00 0.00 57.00 54.25 1k2u n GLN 420 Cb 0.26 -1.46 0.61 0.00 0.11 0.00 0.00 30.24 29.76 1k2u n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1k2u h TRP 421 N 2.66 0.65 0.00 1.08 5.08 -0.55 0.12 115.95 125.00 1k2u h TRP 421 Ca 0.00 0.03 0.00 0.00 1.08 0.00 0.00 58.89 60.00 1k2u h TRP 421 Cb 0.57 -0.16 0.00 0.00 -3.00 0.00 0.00 29.16 26.57 1k2u h TRP 421 CO 0.03 -0.25 -0.02 0.66 -1.28 0.00 0.00 178.44 177.58 1k2u h SER 422 N 0.11 0.00 -2.99 0.11 4.64 -1.82 -3.38 113.55 110.22 1k2u h SER 422 Ca 0.81 -0.00 -0.78 0.00 -0.47 0.00 0.00 61.79 61.35 1k2u h SER 422 Cb 2.35 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 64.20 1k2u h SER 422 CO -0.52 0.00 0.83 0.29 -0.87 0.00 0.00 176.83 176.56 1k2u n LYS 423 N -2.58 3.59 -4.11 4.77 5.02 0.43 -4.95 118.16 120.33 1k2u n LYS 423 Ca 0.05 -4.25 -0.25 0.00 -2.02 0.00 0.00 58.31 51.84 1k2u n LYS 423 Cb 0.47 -2.71 -0.17 0.00 -0.02 0.00 0.00 35.03 32.60 1k2u n LYS 423 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1k2u s LEU 424 N -0.56 1.28 -0.30 -0.35 2.96 -1.26 -4.55 118.68 115.90 1k2u s LEU 424 Ca 0.35 -0.27 -0.24 0.00 -0.22 0.00 0.00 54.13 53.75 1k2u s LEU 424 Cb -0.06 -0.77 0.00 0.00 0.50 0.00 0.00 46.19 45.87 1k2u s LEU 424 CO -0.03 -0.08 0.84 -1.58 -1.32 0.00 0.00 176.35 174.18 1k2u s GLN 425 N 1.36 4.00 -0.23 1.98 2.00 -0.85 -4.97 119.66 122.95 1k2u s GLN 425 Ca -0.02 0.70 -0.09 0.00 -2.00 0.00 0.00 55.36 53.95 1k2u s GLN 425 Cb -0.14 -3.72 -0.04 0.00 0.80 0.00 0.00 33.01 29.91 1k2u s GLN 425 CO -0.04 -0.70 0.12 0.08 -0.50 0.00 0.00 175.29 174.26 1k2u s VAL 426 N 3.05 5.07 -0.24 1.34 1.01 -1.26 -1.36 120.40 128.01 1k2u s VAL 426 Ca 0.35 0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.33 1k2u s VAL 426 Cb -0.14 -3.35 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1k2u s VAL 426 CO 0.12 0.37 0.06 -0.36 0.00 0.00 0.00 175.10 175.29 1k2u s PHE 427 N 1.00 3.08 -0.67 5.22 0.08 0.37 -4.98 117.98 122.08 1k2u s PHE 427 Ca 0.06 -0.44 -0.25 0.00 0.12 0.00 0.00 56.93 56.43 1k2u s PHE 427 Cb -0.14 -2.21 0.05 0.00 -0.57 0.00 0.00 43.02 40.15 1k2u s PHE 427 CO 0.04 -0.34 1.10 0.34 -0.10 0.00 0.00 175.22 176.25 1k2u s ASP 428 N 1.52 6.21 -0.38 1.36 -1.08 -1.26 -1.22 116.67 121.82 1k2u s ASP 428 Ca 0.06 -0.63 0.06 0.00 -0.52 0.00 0.00 52.55 51.52 1k2u s ASP 428 Cb -0.15 -2.48 0.56 0.00 -1.46 0.00 0.00 42.92 39.38 1k2u s ASP 428 CO 0.03 -1.57 1.65 0.00 0.52 0.00 0.00 175.17 175.80 1k2u n ALA 429 N 8.37 4.96 0.51 3.66 0.00 0.15 -4.64 120.51 133.53 1k2u n ALA 429 Ca 0.00 -3.13 0.11 0.00 0.00 0.00 0.00 53.44 50.42 1k2u n ALA 429 Cb 0.47 -1.04 0.45 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.10 0.16 -0.04 0.00 1.74 -1.01 -2.39 116.66 114.02 1k2u n ARG 430 Ca 0.45 0.32 0.13 0.00 -0.77 0.00 0.00 57.85 57.97 1k2u n ARG 430 Cb 1.22 -1.77 0.37 0.00 -1.02 0.00 0.00 32.46 31.26 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 -2.06 2.04 -4.75 0.55 5.75 -1.26 -4.43 116.55 112.38 1k2u n ASP 431 Ca 0.03 -1.70 -0.41 0.00 -0.01 0.00 0.00 54.79 52.71 1k2u n ASP 431 Cb 0.27 -0.05 -0.03 0.00 -1.03 0.00 0.00 41.12 40.28 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 1.55 0.00 -4.29 0.00 -2.24 -1.26 -4.75 114.28 103.29 1k2u n THR 433 Ca 0.01 -0.24 -0.15 0.00 -2.27 0.00 0.00 64.05 61.40 1k2u n THR 433 Cb 0.44 0.81 -0.10 0.00 -2.10 0.00 0.00 70.33 69.37 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 -0.87 0.57 0.24 4.28 -4.23 -1.26 -4.54 115.64 109.83 1k2u s THR 434 Ca 0.00 -1.99 -0.04 0.00 -1.18 0.00 0.00 61.69 58.48 1k2u s THR 434 Cb 0.00 -2.49 0.10 0.00 1.34 0.00 0.00 72.50 71.45 1k2u s THR 434 CO 0.00 -0.13 1.72 0.00 -0.54 0.00 0.00 174.62 175.67 1k2u h ALA 435 N 2.48 1.02 -0.47 3.99 0.00 -1.91 -0.28 119.26 124.08 1k2u h ALA 435 Ca -0.38 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.18 1k2u h ALA 435 Cb 1.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1k2u h ALA 435 CO 0.61 0.60 0.03 0.45 0.00 0.00 0.00 179.25 180.94 1k2u h HIS 436 N 0.78 0.80 -0.77 0.00 3.86 -1.96 0.03 115.15 117.90 1k2u h HIS 436 Ca 0.15 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 1k2u h HIS 436 Cb 0.50 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 1k2u h HIS 436 CO 0.03 0.73 0.34 0.78 0.86 0.00 0.00 177.93 180.67 1k2u h GLY 437 N 0.96 1.21 1.26 2.45 0.00 -1.66 -1.92 103.07 105.37 1k2u h GLY 437 Ca 0.15 -0.63 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 1k2u h GLY 437 CO 0.01 0.59 -0.00 -0.33 0.00 0.00 0.00 176.54 176.81 1k2u h MET 438 N 1.10 0.90 -0.18 4.80 0.00 -0.25 -2.13 114.93 119.16 1k2u h MET 438 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 59.70 59.71 1k2u h MET 438 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 31.60 31.66 1k2u h MET 438 CO -0.03 0.89 0.11 0.35 0.00 0.00 0.00 176.91 178.24 1k2u h PHE 439 N 0.83 0.21 -0.17 -0.22 -0.00 -0.49 -0.09 116.94 117.01 1k2u h PHE 439 Ca 0.16 0.01 0.01 0.00 -0.00 0.00 0.00 57.97 58.15 1k2u h PHE 439 Cb 0.50 -0.07 -0.02 0.00 -0.00 0.00 0.00 35.95 36.36 1k2u h PHE 439 CO 0.03 0.13 0.07 -0.97 -0.00 0.00 0.00 178.31 177.57 1k2u h ASN 440 N 0.23 0.08 -0.97 0.41 -1.24 -1.18 -0.63 115.58 112.29 1k2u h ASN 440 Ca 0.07 0.01 0.07 0.00 0.71 0.00 0.00 56.30 57.16 1k2u h ASN 440 Cb -0.02 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 38.96 1k2u h ASN 440 CO -0.02 0.07 0.63 1.88 -1.29 0.00 0.00 177.43 178.70 1k2u h TYR 441 N 0.15 1.14 -0.14 0.67 -1.99 -1.10 -1.90 116.97 113.81 1k2u h TYR 441 Ca 0.07 0.03 -0.18 0.00 2.00 0.00 0.00 58.73 60.65 1k2u h TYR 441 Cb 0.04 -0.37 -0.00 0.00 2.00 0.00 0.00 36.73 38.39 1k2u h TYR 441 CO -0.11 0.58 -0.66 0.82 -0.00 0.00 0.00 178.16 178.80 1k2u h ILE 442 N 1.11 1.34 -0.53 -2.88 2.04 -0.54 -2.21 117.51 115.83 1k2u h ILE 442 Ca 0.42 -1.96 -0.04 0.00 1.00 0.00 0.00 64.86 64.28 1k2u h ILE 442 Cb 0.20 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 1k2u h ILE 442 CO -0.17 0.60 0.17 0.00 0.00 0.00 0.00 178.15 178.76 1k2u h ASN 444 N 0.73 0.00 -0.12 0.00 2.35 -1.29 -0.84 115.58 116.41 1k2u h ASN 444 Ca 0.17 -0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.83 1k2u h ASN 444 Cb 0.27 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1k2u h ASN 444 CO -0.01 0.28 -0.28 -0.74 -1.65 0.00 0.00 177.43 175.03 1k2u h HIS 445 N 0.00 0.52 -0.61 1.19 2.76 -0.74 -1.62 115.15 116.66 1k2u h HIS 445 Ca -0.00 -0.20 -0.03 0.00 -2.20 0.00 0.00 60.37 57.95 1k2u h HIS 445 Cb 0.49 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.33 1k2u h HIS 445 CO 0.00 0.90 0.28 0.28 -1.30 0.00 0.00 177.93 178.09 1k2u h VAL 446 N -0.01 1.22 -0.23 5.26 2.07 -0.75 0.23 116.25 124.04 1k2u h VAL 446 Ca -0.00 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 1k2u h VAL 446 Cb 0.89 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1k2u h VAL 446 CO 0.06 0.26 -0.05 0.50 0.02 0.00 0.00 177.57 178.36 1k2u h LYS 447 N 0.84 0.44 0.10 1.57 3.64 -1.19 -1.01 116.57 120.96 1k2u h LYS 447 Ca 0.21 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 1k2u h LYS 447 Cb 0.15 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1k2u h LYS 447 CO -0.02 0.66 -0.05 -0.92 -2.27 0.00 0.00 179.45 176.85 1k2u h TYR 448 N 0.17 -0.13 -0.59 1.91 3.20 -1.16 -2.15 116.97 118.23 1k2u h TYR 448 Ca 0.06 -0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1k2u h TYR 448 Cb 0.50 0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.78 1k2u h TYR 448 CO 0.05 0.07 0.27 0.00 -1.64 0.00 0.00 178.16 176.92 1k2u h ALA 449 N 0.57 0.76 0.35 1.82 0.00 -0.99 -3.05 119.26 118.72 1k2u h ALA 449 Ca -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1k2u h ALA 449 Cb 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1k2u h ALA 449 CO 0.02 0.33 -0.17 1.15 0.00 0.00 0.00 179.25 180.58 1k2u h THR 450 N 0.80 0.66 -5.96 0.00 2.02 -1.18 -0.04 112.91 109.21 1k2u h THR 450 Ca 0.20 -0.12 -0.43 0.00 0.77 0.00 0.00 66.41 66.83 1k2u h THR 450 Cb 0.14 0.73 0.06 0.00 -1.74 0.00 0.00 68.15 67.33 1k2u h THR 450 CO -0.02 0.03 -0.71 -3.20 0.37 0.00 0.00 175.52 171.99 1k2u n ASN 451 N -5.27 -5.70 -1.58 4.18 4.05 -0.81 -1.90 115.26 108.22 1k2u n ASN 451 Ca -0.10 -0.62 -0.17 0.00 0.45 0.00 0.00 54.58 54.14 1k2u n ASN 451 Cb 0.23 -4.52 -0.04 0.00 1.23 0.00 0.00 39.78 36.68 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 -4.81 -1.25 0.00 1.20 5.02 -1.26 -2.73 118.16 114.33 1k2u n LYS 452 Ca 0.02 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.27 1k2u n LYS 452 Cb 0.55 -5.28 0.00 0.00 -0.02 0.00 0.00 35.03 30.28 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 -0.96 2.77 3.39 0.72 0.00 -0.80 -4.92 105.19 105.39 1k2u n GLY 453 Ca -0.18 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.39 1k2u n GLY 453 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1k2u s ASN 454 N -1.52 7.11 0.38 1.61 3.04 -1.10 -0.04 114.94 124.41 1k2u s ASN 454 Ca 0.00 -3.14 -0.28 0.00 0.04 0.00 0.00 52.86 49.48 1k2u s ASN 454 Cb 0.00 -2.29 -0.11 0.00 -1.54 0.00 0.00 41.25 37.31 1k2u s ASN 454 CO 0.00 -0.54 1.43 0.18 -3.04 0.00 0.00 177.10 175.13 1k2u n LEU 455 N 4.15 4.51 -4.06 3.21 4.77 -1.19 -4.41 117.00 123.98 1k2u n LEU 455 Ca 0.26 1.21 -0.25 0.00 -0.03 0.00 0.00 56.01 57.20 1k2u n LEU 455 Cb 0.42 -1.58 -0.16 0.00 -2.33 0.00 0.00 43.42 39.77 1k2u n LEU 455 CO 0.50 -0.06 -0.48 -0.13 -1.33 0.00 0.00 177.39 175.89 1k2u s ARG 456 N -2.10 1.70 0.35 3.23 0.52 -0.03 -5.01 118.95 117.61 1k2u s ARG 456 Ca 0.55 -0.47 -0.28 0.00 -0.52 0.00 0.00 55.73 55.01 1k2u s ARG 456 Cb -0.49 -1.42 -0.10 0.00 0.52 0.00 0.00 34.95 33.45 1k2u s ARG 456 CO 0.63 0.09 1.34 -1.12 0.02 0.00 0.00 175.30 176.26 1k2u s SER 457 N 0.45 6.61 0.09 0.23 0.01 -1.26 -4.48 113.70 115.35 1k2u s SER 457 Ca -0.11 2.76 -0.24 0.00 1.31 0.00 0.00 55.95 59.66 1k2u s SER 457 Cb -0.14 -2.65 0.06 0.00 0.21 0.00 0.00 66.02 63.50 1k2u s SER 457 CO 0.03 -0.65 0.59 0.00 0.41 0.00 0.00 173.24 173.62 1k2u s ALA 458 N -1.16 -1.55 -0.07 1.44 0.00 -0.84 -2.00 121.76 117.58 1k2u s ALA 458 Ca 0.51 0.67 -0.06 0.00 0.00 0.00 0.00 51.96 53.08 1k2u s ALA 458 Cb -0.41 0.57 0.02 0.00 0.00 0.00 0.00 23.12 23.31 1k2u s ALA 458 CO 0.54 -0.62 0.19 -1.50 0.00 0.00 0.00 175.76 174.38 1k2u s ILE 459 N -2.90 -0.01 -0.16 0.00 2.07 -0.46 -0.89 121.20 118.85 1k2u s ILE 459 Ca -0.03 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.22 1k2u s ILE 459 Cb -0.01 -0.28 -0.01 0.00 0.13 0.00 0.00 42.46 42.29 1k2u s ILE 459 CO -0.05 0.01 -0.10 -0.89 -1.91 0.00 0.00 174.94 172.00 1k2u s THR 460 N 0.27 3.18 -0.25 4.00 2.01 -0.26 -0.48 115.64 124.11 1k2u s THR 460 Ca -0.01 -0.60 -0.02 0.00 0.31 0.00 0.00 61.69 61.37 1k2u s THR 460 Cb -0.03 -2.38 0.03 0.00 0.01 0.00 0.00 72.50 70.14 1k2u s THR 460 CO -0.01 0.49 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.73 1k2u s ILE 461 N 0.70 2.89 0.60 1.82 1.01 -0.36 -3.17 121.20 124.68 1k2u s ILE 461 Ca -0.05 -1.07 -0.02 0.00 0.00 0.00 0.00 60.65 59.51 1k2u s ILE 461 Cb -0.15 -2.49 0.04 0.00 0.01 0.00 0.00 42.46 39.87 1k2u s ILE 461 CO 0.02 0.16 0.85 -0.36 0.00 0.00 0.00 174.94 175.61 1k2u s PHE 462 N 1.31 2.90 0.17 3.97 0.08 -0.96 0.32 117.98 125.79 1k2u s PHE 462 Ca -0.01 0.17 -0.31 0.00 0.12 0.00 0.00 56.93 56.90 1k2u s PHE 462 Cb -0.17 -2.88 -0.17 0.00 -0.57 0.00 0.00 43.02 39.23 1k2u s PHE 462 CO -0.04 -1.03 0.86 -2.30 -0.10 0.00 0.00 175.22 172.62 1k2u n PRO 463 N -2.53 0.53 -1.96 0.24 -0.02 -1.25 -4.72 135.00 125.29 1k2u n PRO 463 Ca 0.08 0.19 -0.34 0.00 -2.02 0.00 0.00 63.50 61.41 1k2u n PRO 463 Cb 0.60 -1.46 0.03 0.00 -0.02 0.00 0.00 33.50 32.64 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 -0.75 3.04 0.61 -0.52 -2.07 -1.26 -4.59 119.66 114.11 1k2u s GLN 464 Ca 0.70 1.43 -0.19 0.00 -1.82 0.00 0.00 55.36 55.49 1k2u s GLN 464 Cb -0.93 -1.98 -0.03 0.00 -1.09 0.00 0.00 33.01 28.98 1k2u s GLN 464 CO 0.56 -1.06 1.29 0.50 -1.32 0.00 0.00 175.29 175.25 1k2u s ARG 465 N -3.83 2.82 0.00 9.60 3.52 0.15 -4.98 118.95 126.22 1k2u s ARG 465 Ca 0.68 2.04 0.00 0.00 -0.13 0.00 0.00 55.73 58.33 1k2u s ARG 465 Cb -0.21 -1.98 0.00 0.00 -1.56 0.00 0.00 34.95 31.20 1k2u s ARG 465 CO 0.36 -1.38 0.00 0.25 -0.81 0.00 0.00 175.30 173.72 1k2u n THR 466 N -1.59 0.00 0.19 4.11 -2.24 -1.26 -4.76 114.28 108.73 1k2u n THR 466 Ca 0.14 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 62.03 1k2u n THR 466 Cb 0.48 -0.18 0.27 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.23 3.37 0.00 3.42 5.68 -1.26 -4.80 116.55 122.72 1k2u n ASP 467 Ca 0.00 -1.97 0.00 0.00 -0.50 0.00 0.00 54.79 52.32 1k2u n ASP 467 Cb 0.00 -0.33 0.00 0.00 -1.14 0.00 0.00 41.12 39.65 1k2u n ASP 467 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k2u n GLY 468 N 1.50 0.61 0.00 6.12 0.00 -1.26 -4.80 105.19 107.37 1k2u n GLY 468 Ca 0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.06 2.83 -2.20 1.61 5.02 -1.26 -4.57 118.16 117.53 1k2u n LYS 469 Ca 0.00 -0.01 -0.21 0.00 -2.02 0.00 0.00 58.31 56.07 1k2u n LYS 469 Cb 0.05 -1.08 0.02 0.00 -0.02 0.00 0.00 35.03 34.00 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 -1.34 2.62 -2.29 2.13 8.25 -1.26 -4.39 115.22 118.94 1k2u n HIS 470 Ca 0.02 -2.35 -0.37 0.00 -0.26 0.00 0.00 57.72 54.76 1k2u n HIS 470 Cb 0.20 -0.29 -0.01 0.00 1.12 0.00 0.00 29.99 31.00 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 -3.61 6.20 -0.24 0.41 1.11 -1.26 -3.10 116.67 116.19 1k2u s ASP 471 Ca 0.47 2.27 -0.10 0.00 0.18 0.00 0.00 52.55 55.36 1k2u s ASP 471 Cb 0.40 -2.60 -0.05 0.00 1.07 0.00 0.00 42.92 41.74 1k2u s ASP 471 CO -0.00 -0.90 0.16 -0.36 1.18 0.00 0.00 175.17 175.25 1k2u s PHE 472 N -1.58 3.32 0.02 4.23 0.40 -1.26 -0.03 117.98 123.08 1k2u s PHE 472 Ca 0.64 0.22 0.02 0.00 -0.60 0.00 0.00 56.93 57.21 1k2u s PHE 472 Cb -0.27 -2.26 -0.01 0.00 0.51 0.00 0.00 43.02 40.98 1k2u s PHE 472 CO 0.33 0.07 -0.08 1.03 0.70 0.00 0.00 175.22 177.28 1k2u s ARG 473 N 1.01 0.55 -0.34 0.44 1.81 0.04 -3.18 118.95 119.28 1k2u s ARG 473 Ca 0.07 -0.50 -0.08 0.00 -1.72 0.00 0.00 55.73 53.51 1k2u s ARG 473 Cb -0.13 -0.45 0.03 0.00 -0.45 0.00 0.00 34.95 33.95 1k2u s ARG 473 CO 0.04 0.11 0.13 0.08 -0.68 0.00 0.00 175.30 174.97 1k2u s VAL 474 N -0.72 4.04 0.32 3.52 1.01 -1.26 -0.67 120.40 126.64 1k2u s VAL 474 Ca -0.03 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.04 1k2u s VAL 474 Cb -0.06 -3.24 0.12 0.00 0.00 0.00 0.00 36.38 33.20 1k2u s VAL 474 CO 0.00 -0.14 1.82 -0.50 0.00 0.00 0.00 175.10 176.28 1k2u h TRP 475 N 8.28 0.46 -4.10 5.22 4.06 -1.56 -3.42 115.95 124.90 1k2u h TRP 475 Ca -0.26 -0.07 -0.55 0.00 2.06 0.00 0.00 58.89 60.08 1k2u h TRP 475 Cb 1.10 -0.12 0.14 0.00 -1.00 0.00 0.00 29.16 29.27 1k2u h TRP 475 CO 0.59 0.56 0.50 -0.80 -3.56 0.00 0.00 178.44 175.74 1k2u s ASN 476 N -6.80 4.89 0.11 -3.49 -0.87 -1.26 -4.92 114.94 102.59 1k2u s ASN 476 Ca -0.07 2.54 0.04 0.00 -1.57 0.00 0.00 52.86 53.80 1k2u s ASN 476 Cb 0.15 -2.61 -0.23 0.00 -0.02 0.00 0.00 41.25 38.53 1k2u s ASN 476 CO 0.77 -1.81 1.24 0.77 -2.57 0.00 0.00 177.10 175.50 1k2u h SER 477 N 0.75 0.12 -4.61 -1.22 4.64 -1.90 -3.34 113.55 107.99 1k2u h SER 477 Ca -0.51 -0.13 -0.24 0.00 -0.47 0.00 0.00 61.79 60.44 1k2u h SER 477 Cb 1.32 -0.04 -0.23 0.00 -0.31 0.00 0.00 62.40 63.14 1k2u h SER 477 CO 0.54 1.10 -0.72 -1.10 -0.87 0.00 0.00 176.83 175.78 1k2u s GLN 478 N -2.69 0.38 0.24 4.77 -0.21 -1.26 -0.72 119.66 120.17 1k2u s GLN 478 Ca -0.00 -0.55 -0.06 0.00 0.02 0.00 0.00 55.36 54.77 1k2u s GLN 478 Cb 0.09 -0.13 0.32 0.00 1.00 0.00 0.00 33.01 34.29 1k2u s GLN 478 CO 0.84 0.02 1.87 -0.07 -2.12 0.00 0.00 175.29 175.82 1k2u h LEU 479 N 4.93 0.91 -8.30 2.90 3.38 -1.23 -3.39 115.31 114.51 1k2u h LEU 479 Ca -0.32 0.01 -0.67 0.00 0.09 0.00 0.00 57.88 56.99 1k2u h LEU 479 Cb 1.20 -0.19 -0.31 0.00 0.09 0.00 0.00 40.66 41.45 1k2u h LEU 479 CO 0.43 0.60 -0.82 -0.63 0.09 0.00 0.00 178.44 178.12 1k2u s ILE 480 N -6.07 2.54 -0.01 1.22 1.01 -1.26 -4.88 121.20 113.74 1k2u s ILE 480 Ca -0.13 -0.80 -0.26 0.00 0.00 0.00 0.00 60.65 59.45 1k2u s ILE 480 Cb 0.18 -2.07 0.06 0.00 0.01 0.00 0.00 42.46 40.64 1k2u s ILE 480 CO 0.80 0.52 0.59 -0.13 0.00 0.00 0.00 174.94 176.71 1k2u s ARG 481 N 0.95 1.01 0.07 2.79 0.52 -1.26 -4.87 118.95 118.16 1k2u s ARG 481 Ca -0.03 0.06 -0.22 0.00 -0.52 0.00 0.00 55.73 55.02 1k2u s ARG 481 Cb -0.15 0.47 -0.06 0.00 0.52 0.00 0.00 34.95 35.73 1k2u s ARG 481 CO -0.03 -0.33 0.65 0.71 0.02 0.00 0.00 175.30 176.32 1k2u s TYR 482 N -1.59 3.78 0.72 -0.53 4.12 -1.26 -0.53 117.35 122.06 1k2u s TYR 482 Ca -0.10 1.36 -0.15 0.00 0.02 0.00 0.00 57.07 58.20 1k2u s TYR 482 Cb -0.01 -2.63 0.03 0.00 -1.52 0.00 0.00 41.96 37.84 1k2u s TYR 482 CO 0.06 0.46 1.18 0.00 0.02 0.00 0.00 175.55 177.27 1k2u s ALA 483 N -0.72 2.17 -0.04 3.71 0.00 0.20 -4.41 121.76 122.68 1k2u s ALA 483 Ca 0.32 0.80 0.03 0.00 0.00 0.00 0.00 51.96 53.11 1k2u s ALA 483 Cb -0.20 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1k2u s ALA 483 CO 0.21 -1.77 -0.12 0.20 0.00 0.00 0.00 175.76 174.27 1k2u s GLY 484 N -2.17 0.71 -0.04 0.00 0.00 -1.24 -1.57 107.32 103.01 1k2u s GLY 484 Ca 0.72 -0.45 0.03 0.00 0.00 0.00 0.00 44.72 45.03 1k2u s GLY 484 CO 0.45 -0.09 -0.13 -0.19 0.00 0.00 0.00 173.10 173.14 1k2u s TYR 485 N 0.30 1.38 -0.17 1.90 1.51 0.57 -3.99 117.35 118.84 1k2u s TYR 485 Ca -0.07 -0.41 -0.17 0.00 -1.01 0.00 0.00 57.07 55.42 1k2u s TYR 485 Cb -0.12 -0.96 -0.04 0.00 -0.11 0.00 0.00 41.96 40.73 1k2u s TYR 485 CO 0.02 -0.17 0.44 0.21 -1.11 0.00 0.00 175.55 174.93 1k2u s LYS 486 N 0.25 4.23 0.32 -0.62 2.20 -1.26 -0.69 119.74 124.17 1k2u s LYS 486 Ca -0.06 0.31 -0.12 0.00 -0.36 0.00 0.00 55.97 55.74 1k2u s LYS 486 Cb -0.12 -3.50 -0.08 0.00 -1.51 0.00 0.00 37.83 32.63 1k2u s LYS 486 CO 0.02 0.02 0.68 -0.65 -0.36 0.00 0.00 175.35 175.06 1k2u s GLN 487 N 1.10 3.86 0.62 4.03 -1.52 -0.51 -4.96 119.66 122.29 1k2u s GLN 487 Ca 0.22 0.46 0.36 0.00 -1.95 0.00 0.00 55.36 54.45 1k2u s GLN 487 Cb -0.15 -2.49 2.07 0.00 -0.22 0.00 0.00 33.01 32.22 1k2u s GLN 487 CO 0.08 0.16 2.29 -1.00 -0.25 0.00 0.00 175.29 176.57 1k2u h PRO 488 N 2.03 0.00 0.00 2.91 0.13 -1.98 0.16 132.00 135.26 1k2u h PRO 488 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1k2u h PRO 488 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1k2u h PRO 488 CO 0.66 0.01 0.00 -0.40 -0.23 0.00 0.00 178.00 178.04 1k2u n ASP 489 N -3.48 0.00 0.00 1.44 5.68 -1.26 -4.89 116.55 114.04 1k2u n ASP 489 Ca -0.03 -0.70 0.00 0.00 -0.50 0.00 0.00 54.79 53.56 1k2u n ASP 489 Cb 0.09 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 1k2u n ASP 489 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k2u n GLY 490 N 0.82 2.50 3.87 6.12 0.00 0.55 -5.06 105.19 113.99 1k2u n GLY 490 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 1k2u n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k2u s SER 491 N -1.57 2.73 -0.04 1.61 1.04 -1.26 -4.78 113.70 111.43 1k2u s SER 491 Ca 0.00 0.33 0.02 0.00 0.48 0.00 0.00 55.95 56.78 1k2u s SER 491 Cb 0.00 -0.41 0.02 0.00 0.10 0.00 0.00 66.02 65.72 1k2u s SER 491 CO 0.00 -2.98 -0.07 -0.89 0.98 0.00 0.00 173.24 170.28 1k2u s THR 492 N -3.73 0.70 -0.15 2.02 2.01 -1.26 -1.42 115.64 113.81 1k2u s THR 492 Ca 0.73 -0.25 -0.08 0.00 0.31 0.00 0.00 61.69 62.41 1k2u s THR 492 Cb -0.05 -0.68 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 1k2u s THR 492 CO 0.54 0.25 0.11 -0.22 -0.69 0.00 0.00 174.62 174.61 1k2u s LEU 493 N 0.68 4.15 0.00 4.42 2.96 0.13 -4.94 118.68 126.08 1k2u s LEU 493 Ca -0.10 0.29 0.00 0.00 -0.22 0.00 0.00 54.13 54.10 1k2u s LEU 493 Cb -0.13 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.52 1k2u s LEU 493 CO 0.01 0.29 0.00 0.61 -1.32 0.00 0.00 176.35 175.94 1k2u n GLY 494 N 2.79 0.15 3.47 7.98 0.00 -1.26 -0.32 105.19 118.01 1k2u n GLY 494 Ca -0.18 -1.38 -0.43 0.00 0.00 0.00 0.00 46.02 44.03 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 6.20 0.41 1.61 -1.08 -0.61 -4.77 116.67 114.43 1k2u s ASP 495 Ca 0.00 -0.78 0.17 0.00 -0.52 0.00 0.00 52.55 51.42 1k2u s ASP 495 Cb 0.00 -2.23 1.06 0.00 -1.46 0.00 0.00 42.92 40.29 1k2u s ASP 495 CO 0.00 -0.64 1.85 -0.65 0.52 0.00 0.00 175.17 176.24 1k2u h PRO 496 N 8.78 0.42 0.00 4.34 0.11 -1.82 -1.36 132.00 142.47 1k2u h PRO 496 Ca -0.27 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.82 1k2u h PRO 496 Cb 1.11 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.12 1k2u h PRO 496 CO 0.83 0.28 -0.01 0.00 -0.21 0.00 0.00 178.00 178.90 1k2u h ALA 497 N 1.61 1.31 -0.43 -0.75 0.00 -1.93 -2.76 119.26 116.31 1k2u h ALA 497 Ca 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1k2u h ALA 497 Cb 1.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1k2u h ALA 497 CO -0.19 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.15 1k2u n ASN 498 N -3.54 3.15 0.01 0.00 3.02 -0.51 -4.70 115.26 112.69 1k2u n ASN 498 Ca -0.03 -2.00 -0.11 0.00 -0.03 0.00 0.00 54.58 52.42 1k2u n ASN 498 Cb 0.09 -0.29 -0.04 0.00 -0.61 0.00 0.00 39.78 38.93 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 2.52 0.30 -0.12 2.41 2.07 -1.55 0.20 116.25 122.08 1k2u h VAL 499 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 1k2u h VAL 499 Cb 0.79 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1k2u h VAL 499 CO 0.00 0.00 -0.08 -0.61 0.02 0.00 0.00 177.57 176.90 1k2u h GLN 500 N -0.40 -0.08 -0.71 1.57 4.15 -1.84 -0.99 115.11 116.81 1k2u h GLN 500 Ca 0.09 0.01 -0.02 0.00 0.77 0.00 0.00 58.65 59.50 1k2u h GLN 500 Cb 0.54 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 1k2u h GLN 500 CO -0.34 -0.05 0.37 0.35 -1.93 0.00 0.00 178.83 177.23 1k2u h PHE 501 N -0.08 0.98 -0.85 3.99 3.57 -1.82 -2.21 116.94 120.53 1k2u h PHE 501 Ca 0.07 -0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.57 1k2u h PHE 501 Cb 0.19 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 1k2u h PHE 501 CO -0.20 0.70 0.56 1.15 -2.23 0.00 0.00 178.31 178.28 1k2u h THR 502 N 1.00 1.18 -0.20 4.41 2.02 0.12 -1.94 112.91 119.51 1k2u h THR 502 Ca 0.25 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 67.05 1k2u h THR 502 Cb 0.06 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 1k2u h THR 502 CO -0.04 0.20 0.11 -0.33 0.37 0.00 0.00 175.52 175.84 1k2u h GLU 503 N 1.11 0.27 -0.96 6.66 5.08 -0.60 -0.57 114.58 125.57 1k2u h GLU 503 Ca 0.33 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.75 1k2u h GLU 503 Cb -0.07 -0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.05 1k2u h GLU 503 CO -0.09 0.24 0.60 0.82 -1.00 0.00 0.00 179.01 179.58 1k2u h ILE 504 N 0.23 1.00 -0.44 3.13 2.04 -1.16 0.48 117.51 122.79 1k2u h ILE 504 Ca 0.07 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 1k2u h ILE 504 Cb 0.04 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 35.98 1k2u h ILE 504 CO -0.01 0.19 0.16 0.00 0.00 0.00 0.00 178.15 178.48 1k2u h ILE 506 N 0.56 1.19 -0.17 0.00 2.04 -0.10 0.53 117.51 121.55 1k2u h ILE 506 Ca 0.14 -0.57 0.05 0.00 1.00 0.00 0.00 64.86 65.48 1k2u h ILE 506 Cb 0.23 1.38 -0.01 0.00 -0.74 0.00 0.00 36.82 37.68 1k2u h ILE 506 CO -0.01 0.16 0.20 -0.61 0.00 0.00 0.00 178.15 177.90 1k2u h GLN 507 N -0.04 0.00 -0.01 2.37 4.15 0.15 0.16 115.11 121.88 1k2u h GLN 507 Ca 0.03 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1k2u h GLN 507 Cb 0.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1k2u h GLN 507 CO -0.00 0.00 -0.17 1.04 -1.93 0.00 0.00 178.83 177.77 1k2u n GLN 508 N -3.77 1.03 0.00 1.69 1.13 0.03 -4.92 117.38 112.57 1k2u n GLN 508 Ca 0.01 -0.57 0.00 0.00 -1.94 0.00 0.00 57.00 54.51 1k2u n GLN 508 Cb 0.32 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.18 1k2u n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1k2u n GLY 509 N 1.29 1.19 3.77 1.08 0.00 0.54 -4.95 105.19 108.10 1k2u n GLY 509 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1k2u n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1k2u s TRP 510 N -2.00 2.94 -0.67 1.61 -0.00 0.12 -4.97 118.94 115.97 1k2u s TRP 510 Ca 0.00 1.44 -0.08 0.00 -0.00 0.00 0.00 56.10 57.47 1k2u s TRP 510 Cb 0.00 -3.62 0.17 0.00 -0.00 0.00 0.00 33.47 30.02 1k2u s TRP 510 CO 0.00 -1.87 0.53 0.15 -0.00 0.00 0.00 176.95 175.77 1k2u s LYS 511 N -2.10 2.90 0.21 5.86 1.02 -1.26 -4.40 119.74 121.96 1k2u s LYS 511 Ca 0.54 -2.38 -0.31 0.00 0.02 0.00 0.00 55.97 53.84 1k2u s LYS 511 Cb -0.37 -4.00 -0.10 0.00 -0.52 0.00 0.00 37.83 32.84 1k2u s LYS 511 CO 0.48 -1.22 1.54 0.00 -0.92 0.00 0.00 175.35 175.23 1k2u s ALA 512 N 0.25 3.74 -1.22 5.17 0.00 -1.26 -4.87 121.76 123.56 1k2u s ALA 512 Ca 0.15 1.39 0.18 0.00 0.00 0.00 0.00 51.96 53.68 1k2u s ALA 512 Cb -0.18 -3.61 0.82 0.00 0.00 0.00 0.00 23.12 20.15 1k2u s ALA 512 CO -0.05 -0.80 1.54 -2.30 0.00 0.00 0.00 175.76 174.16 1k2u n PRO 513 N 3.27 0.13 -3.70 0.00 -0.02 -1.26 -4.88 135.00 128.54 1k2u n PRO 513 Ca 0.11 0.16 -0.28 0.00 -2.02 0.00 0.00 63.50 61.47 1k2u n PRO 513 Cb 0.39 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.39 1k2u n PRO 513 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1k2u n ARG 514 N -1.39 -5.32 -0.80 -0.52 5.12 -1.26 -4.99 116.66 107.50 1k2u n ARG 514 Ca 0.06 0.63 0.00 0.00 -1.93 0.00 0.00 57.85 56.61 1k2u n ARG 514 Cb 0.17 -5.51 0.00 0.00 -1.16 0.00 0.00 32.46 25.96 1k2u n ARG 514 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1k2u n GLY 515 N -1.62 2.00 0.09 -0.13 0.00 -1.26 -5.05 105.19 99.22 1k2u n GLY 515 Ca 0.02 -2.11 0.08 0.00 0.00 0.00 0.00 46.02 44.00 1k2u n GLY 515 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1k2u n ARG 516 N -0.76 0.62 -3.19 1.61 0.63 -1.26 -4.29 116.66 110.03 1k2u n ARG 516 Ca 0.00 0.07 -0.21 0.00 -0.92 0.00 0.00 57.85 56.79 1k2u n ARG 516 Cb 0.00 -1.74 -0.05 0.00 0.45 0.00 0.00 32.46 31.12 1k2u n ARG 516 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1k2u n PHE 517 N -2.64 0.29 -3.34 -0.14 3.01 -1.26 -4.30 117.46 109.08 1k2u n PHE 517 Ca -0.04 -3.74 -0.40 0.00 1.01 0.00 0.00 57.45 54.28 1k2u n PHE 517 Cb 0.64 -0.40 -0.09 0.00 -0.01 0.00 0.00 39.48 39.62 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 -2.00 6.27 -0.02 4.37 1.01 -1.26 -4.95 116.67 120.08 1k2u s ASP 518 Ca 0.39 0.13 -0.30 0.00 0.71 0.00 0.00 52.55 53.48 1k2u s ASP 518 Cb 0.27 -2.23 -0.06 0.00 1.01 0.00 0.00 42.92 41.91 1k2u s ASP 518 CO -0.09 -0.29 1.70 -0.69 0.21 0.00 0.00 175.17 176.00 1k2u s VAL 519 N 2.15 3.43 0.70 -1.27 1.01 -1.26 -0.62 120.40 124.54 1k2u s VAL 519 Ca 0.16 0.58 -0.15 0.00 0.00 0.00 0.00 61.98 62.57 1k2u s VAL 519 Cb -0.16 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.87 1k2u s VAL 519 CO 0.11 -0.04 1.15 -0.76 0.00 0.00 0.00 175.10 175.56 1k2u s LEU 520 N 3.88 3.33 0.61 3.92 1.43 0.31 -4.89 118.68 127.28 1k2u s LEU 520 Ca 0.76 2.16 -0.09 0.00 -1.03 0.00 0.00 54.13 55.92 1k2u s LEU 520 Cb -0.36 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.28 1k2u s LEU 520 CO 0.32 -1.96 0.98 -2.16 0.23 0.00 0.00 176.35 173.76 1k2u s PRO 521 N -4.05 3.32 0.14 1.29 0.04 -1.26 -4.74 135.00 129.73 1k2u s PRO 521 Ca 0.70 0.47 -0.22 0.00 0.04 0.00 0.00 61.00 61.99 1k2u s PRO 521 Cb -0.24 -2.15 -0.07 0.00 0.04 0.00 0.00 34.50 32.07 1k2u s PRO 521 CO 0.44 -0.63 0.68 -0.51 0.04 0.00 0.00 177.00 177.02 1k2u s LEU 522 N -5.11 4.53 -0.29 -3.56 1.43 0.66 -4.89 118.68 111.45 1k2u s LEU 522 Ca 0.54 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.10 1k2u s LEU 522 Cb -0.11 -3.17 0.06 0.00 0.03 0.00 0.00 46.19 43.00 1k2u s LEU 522 CO 0.50 0.21 -0.03 -0.22 0.23 0.00 0.00 176.35 177.05 1k2u s LEU 523 N -1.25 3.84 -0.11 1.79 0.20 -1.26 -1.63 118.68 120.26 1k2u s LEU 523 Ca 0.34 -1.40 0.01 0.00 0.69 0.00 0.00 54.13 53.77 1k2u s LEU 523 Cb -0.21 -1.65 -0.01 0.00 -0.43 0.00 0.00 46.19 43.89 1k2u s LEU 523 CO 0.23 -0.25 -0.16 -0.76 -0.29 0.00 0.00 176.35 175.12 1k2u s LEU 524 N 1.17 2.59 -0.22 -0.68 1.43 0.28 -1.42 118.68 121.82 1k2u s LEU 524 Ca -0.05 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.65 1k2u s LEU 524 Cb -0.20 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 1k2u s LEU 524 CO -0.03 0.19 -0.04 -1.58 0.23 0.00 0.00 176.35 175.12 1k2u s GLN 525 N 0.22 3.37 0.00 1.70 0.74 0.16 -0.41 119.66 125.44 1k2u s GLN 525 Ca -0.10 -0.63 0.04 0.00 0.05 0.00 0.00 55.36 54.72 1k2u s GLN 525 Cb -0.16 -3.03 -0.03 0.00 1.10 0.00 0.00 33.01 30.89 1k2u s GLN 525 CO 0.06 -0.21 -0.10 0.00 -0.55 0.00 0.00 175.29 174.49 1k2u s ALA 526 N 1.48 2.87 -0.55 1.58 0.00 -1.26 -0.78 121.76 125.10 1k2u s ALA 526 Ca 0.06 -1.05 -0.06 0.00 0.00 0.00 0.00 51.96 50.91 1k2u s ALA 526 Cb -0.14 -1.02 0.06 0.00 0.00 0.00 0.00 23.12 22.01 1k2u s ALA 526 CO -0.03 0.60 0.16 -1.71 0.00 0.00 0.00 175.76 174.78 1k2u n ASN 527 N 1.67 -1.50 0.00 0.00 4.05 -1.24 -0.16 115.26 118.09 1k2u n ASN 527 Ca -0.16 0.04 0.00 0.00 0.45 0.00 0.00 54.58 54.91 1k2u n ASN 527 Cb 0.52 -1.38 0.00 0.00 1.23 0.00 0.00 39.78 40.15 1k2u n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1k2u n GLY 528 N -0.68 0.82 3.91 8.20 0.00 0.96 -4.41 105.19 113.98 1k2u n GLY 528 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1k2u n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k2u s ASN 529 N -2.72 4.68 0.45 1.61 0.01 0.78 -4.83 114.94 114.91 1k2u s ASN 529 Ca 0.00 0.67 -0.25 0.00 -0.71 0.00 0.00 52.86 52.57 1k2u s ASN 529 Cb 0.00 -1.24 -0.08 0.00 0.41 0.00 0.00 41.25 40.33 1k2u s ASN 529 CO 0.00 -1.75 1.41 -1.81 -1.51 0.00 0.00 177.10 173.44 1k2u s ASP 530 N -4.54 5.92 0.85 -1.22 1.01 -1.26 -4.31 116.67 113.12 1k2u s ASP 530 Ca 0.61 2.89 -0.10 0.00 0.71 0.00 0.00 52.55 56.66 1k2u s ASP 530 Cb -0.11 -2.65 0.11 0.00 1.01 0.00 0.00 42.92 41.28 1k2u s ASP 530 CO 0.47 -1.14 1.13 -2.16 0.21 0.00 0.00 175.17 173.68 1k2u s PRO 531 N -2.43 1.53 0.04 8.23 0.04 -1.26 -4.69 135.00 136.45 1k2u s PRO 531 Ca 0.61 1.41 0.03 0.00 0.04 0.00 0.00 61.00 63.08 1k2u s PRO 531 Cb -0.43 -1.80 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 1k2u s PRO 531 CO 0.55 -2.23 -0.09 -1.21 0.04 0.00 0.00 177.00 174.07 1k2u s GLU 532 N -4.73 0.59 0.22 4.56 2.02 0.45 -4.86 118.70 116.95 1k2u s GLU 532 Ca 0.65 -0.66 -0.15 0.00 0.02 0.00 0.00 54.97 54.83 1k2u s GLU 532 Cb -0.21 -0.45 -0.08 0.00 0.10 0.00 0.00 34.13 33.50 1k2u s GLU 532 CO 0.57 0.10 0.63 -0.51 0.02 0.00 0.00 175.26 176.07 1k2u s LEU 533 N -1.25 4.24 -0.11 1.80 1.43 -1.26 -0.56 118.68 122.97 1k2u s LEU 533 Ca -0.05 1.17 -0.19 0.00 -1.03 0.00 0.00 54.13 54.03 1k2u s LEU 533 Cb -0.08 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.57 1k2u s LEU 533 CO 0.01 -0.02 0.48 -0.36 0.23 0.00 0.00 176.35 176.69 1k2u s PHE 534 N -1.67 -0.47 -0.25 0.29 0.40 -0.64 -4.97 117.98 110.67 1k2u s PHE 534 Ca 0.45 1.00 -0.09 0.00 -0.60 0.00 0.00 56.93 57.69 1k2u s PHE 534 Cb -0.14 0.20 -0.04 0.00 0.51 0.00 0.00 43.02 43.56 1k2u s PHE 534 CO 0.20 -0.36 0.11 -1.14 0.70 0.00 0.00 175.22 174.73 1k2u s GLN 535 N -0.45 3.81 0.28 0.44 0.74 -1.26 -0.25 119.66 122.97 1k2u s GLN 535 Ca -0.06 -0.40 -0.30 0.00 0.05 0.00 0.00 55.36 54.66 1k2u s GLN 535 Cb -0.03 -3.44 -0.10 0.00 1.10 0.00 0.00 33.01 30.54 1k2u s GLN 535 CO 0.03 -0.12 1.45 0.42 -0.55 0.00 0.00 175.29 176.53 1k2u s ILE 536 N 1.50 2.51 -0.15 -2.34 1.01 -1.26 -4.86 121.20 117.61 1k2u s ILE 536 Ca 0.06 0.44 -0.33 0.00 0.00 0.00 0.00 60.65 60.83 1k2u s ILE 536 Cb -0.15 -3.28 -0.10 0.00 0.01 0.00 0.00 42.46 38.93 1k2u s ILE 536 CO 0.06 0.08 2.00 -2.65 0.00 0.00 0.00 174.94 174.43 1k2u n PRO 537 N 1.96 1.97 -0.30 2.79 -0.02 -1.26 -4.84 135.00 135.30 1k2u n PRO 537 Ca 0.06 0.67 0.13 0.00 -2.02 0.00 0.00 63.50 62.34 1k2u n PRO 537 Cb 0.40 -2.73 0.29 0.00 -0.02 0.00 0.00 33.50 31.44 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 10.85 0.23 0.00 0.52 0.11 -1.95 0.47 132.00 142.23 1k2u h PRO 538 Ca -0.44 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1k2u h PRO 538 Cb 1.27 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1k2u h PRO 538 CO 0.96 0.15 0.00 -0.85 -0.21 0.00 0.00 178.00 178.05 1k2u n GLU 539 N -5.20 0.12 -0.01 1.05 0.00 -1.26 -1.10 120.64 114.23 1k2u n GLU 539 Ca 0.21 0.16 0.09 0.00 0.00 0.00 0.00 57.16 57.63 1k2u n GLU 539 Cb 0.68 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 30.46 1k2u n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1k2u n LEU 540 N -1.20 0.00 -4.44 -1.84 4.32 0.16 -4.83 117.00 109.17 1k2u n LEU 540 Ca 0.03 0.00 -0.44 0.00 -0.02 0.00 0.00 56.01 55.59 1k2u n LEU 540 Cb 0.04 0.02 -0.04 0.00 -1.62 0.00 0.00 43.42 41.82 1k2u n LEU 540 CO 0.04 0.02 0.74 -0.69 -1.22 0.00 0.00 177.39 176.28 1k2u s VAL 541 N -3.33 4.51 0.07 4.08 1.01 -0.26 -4.78 120.40 121.70 1k2u s VAL 541 Ca -0.07 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.84 1k2u s VAL 541 Cb 0.12 -4.67 -0.06 0.00 0.00 0.00 0.00 36.38 31.78 1k2u s VAL 541 CO 0.81 -1.41 1.14 -0.22 0.00 0.00 0.00 175.10 175.43 1k2u s LEU 542 N 3.48 4.39 0.13 3.92 2.96 -1.26 -5.00 118.68 127.30 1k2u s LEU 542 Ca 0.22 1.96 0.05 0.00 -0.22 0.00 0.00 54.13 56.15 1k2u s LEU 542 Cb -0.16 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.91 1k2u s LEU 542 CO 0.05 -0.38 -0.12 -1.61 -1.32 0.00 0.00 176.35 172.97 1k2u s GLU 543 N 0.76 1.02 -0.14 1.98 2.02 -1.26 -1.15 118.70 121.92 1k2u s GLU 543 Ca 0.56 -1.33 -0.00 0.00 0.02 0.00 0.00 54.97 54.21 1k2u s GLU 543 Cb -0.28 -0.72 0.03 0.00 0.10 0.00 0.00 34.13 33.26 1k2u s GLU 543 CO 0.30 0.11 -0.08 0.08 0.02 0.00 0.00 175.26 175.69 1k2u s VAL 544 N -2.74 1.19 0.26 2.63 1.01 0.59 -4.89 120.40 118.45 1k2u s VAL 544 Ca 0.12 -0.48 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 1k2u s VAL 544 Cb -0.01 -1.23 -0.09 0.00 0.00 0.00 0.00 36.38 35.05 1k2u s VAL 544 CO 0.02 0.32 1.10 -2.16 0.00 0.00 0.00 175.10 174.37 1k2u s PRO 545 N 1.63 4.64 -0.30 2.72 0.04 -1.26 -1.59 135.00 140.88 1k2u s PRO 545 Ca 0.04 1.78 -0.14 0.00 0.04 0.00 0.00 61.00 62.72 1k2u s PRO 545 Cb -0.13 -3.21 -0.03 0.00 0.04 0.00 0.00 34.50 31.17 1k2u s PRO 545 CO -0.09 0.20 0.30 0.42 0.04 0.00 0.00 177.00 177.88 1k2u s ILE 546 N -1.01 5.22 0.15 0.56 -1.09 0.50 -4.87 121.20 120.66 1k2u s ILE 546 Ca 0.45 0.25 0.06 0.00 -2.23 0.00 0.00 60.65 59.19 1k2u s ILE 546 Cb -0.31 -3.68 -0.04 0.00 -1.58 0.00 0.00 42.46 36.85 1k2u s ILE 546 CO 0.40 0.11 -0.13 0.00 -1.23 0.00 0.00 174.94 174.08 1k2u s ARG 547 N 1.93 1.13 -0.09 2.79 3.03 -1.26 -4.11 118.95 122.37 1k2u s ARG 547 Ca 0.11 -1.39 -0.05 0.00 2.03 0.00 0.00 55.73 56.43 1k2u s ARG 547 Cb -0.16 -0.91 -0.04 0.00 -1.03 0.00 0.00 34.95 32.80 1k2u s ARG 547 CO 0.11 0.16 0.12 -1.58 -1.13 0.00 0.00 175.30 172.97 1k2u s HIS 548 N -2.65 3.50 0.60 5.89 2.46 -1.26 -4.36 115.29 119.47 1k2u s HIS 548 Ca 0.15 0.42 0.31 0.00 0.47 0.00 0.00 55.06 56.41 1k2u s HIS 548 Cb -0.02 -1.88 1.89 0.00 -0.13 0.00 0.00 32.58 32.44 1k2u s HIS 548 CO 0.04 0.67 2.27 -1.00 -2.47 0.00 0.00 174.74 174.24 1k2u h PRO 549 N 4.75 0.00 0.00 2.88 0.13 -1.92 -3.30 132.00 134.55 1k2u h PRO 549 Ca -0.53 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 1k2u h PRO 549 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 1k2u h PRO 549 CO 0.59 0.00 -0.84 1.63 -0.23 0.00 0.00 178.00 179.16 1k2u n LYS 550 N -3.76 3.25 -2.89 0.86 5.02 -1.26 -4.94 118.16 114.43 1k2u n LYS 550 Ca -0.03 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.83 1k2u n LYS 550 Cb 0.08 -0.92 -0.03 0.00 -0.02 0.00 0.00 35.03 34.14 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 -1.83 2.85 -1.84 2.13 2.99 -1.24 -4.86 117.98 116.18 1k2u s PHE 551 Ca 0.00 -0.88 0.15 0.00 0.00 0.00 0.00 56.93 56.20 1k2u s PHE 551 Cb 0.00 -4.28 0.87 0.00 0.00 0.00 0.00 43.02 39.61 1k2u s PHE 551 CO 0.00 -1.58 1.36 -3.47 -0.00 0.00 0.00 175.22 171.53 1k2u n ASP 552 N 7.24 0.00 -0.07 1.36 2.03 -1.26 -1.62 116.55 124.23 1k2u n ASP 552 Ca 0.07 -0.33 0.11 0.00 0.52 0.00 0.00 54.79 55.16 1k2u n ASP 552 Cb 0.47 -0.08 -0.02 0.00 -0.72 0.00 0.00 41.12 40.76 1k2u n ASP 552 CO 0.00 0.00 0.00 -2.67 -1.92 0.00 0.00 177.20 172.61 1k2u n TRP 553 N -1.08 0.00 -0.13 -0.67 4.27 -1.26 -4.35 117.44 114.22 1k2u n TRP 553 Ca 0.10 0.00 -0.09 0.00 -3.89 0.00 0.00 57.50 53.62 1k2u n TRP 553 Cb 0.07 -0.05 -0.01 0.00 -1.36 0.00 0.00 31.31 29.96 1k2u n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 1k2u h PHE 554 N 0.34 0.58 -0.65 -2.67 3.57 -1.66 -2.34 116.94 114.12 1k2u h PHE 554 Ca 0.00 -0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.59 1k2u h PHE 554 Cb 0.53 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.06 1k2u h PHE 554 CO 0.00 0.54 0.44 1.57 -2.23 0.00 0.00 178.31 178.63 1k2u h LYS 555 N 0.46 0.27 0.00 1.11 2.10 -1.76 0.32 116.57 119.07 1k2u h LYS 555 Ca 0.12 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1k2u h LYS 555 Cb 0.22 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 1k2u h LYS 555 CO -0.01 0.18 0.00 -0.25 -2.00 0.00 0.00 179.45 177.37 1k2u n ASP 556 N -4.45 0.00 0.07 7.07 8.00 -0.88 -2.08 116.55 124.28 1k2u n ASP 556 Ca 0.12 -0.07 0.11 0.00 0.71 0.00 0.00 54.79 55.66 1k2u n ASP 556 Cb 0.52 -0.26 0.45 0.00 -0.02 0.00 0.00 41.12 41.80 1k2u n ASP 556 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1k2u n LEU 557 N -1.26 0.41 -1.65 0.64 4.77 0.11 -4.90 117.00 115.12 1k2u n LEU 557 Ca 0.10 0.57 -0.14 0.00 -0.03 0.00 0.00 56.01 56.51 1k2u n LEU 557 Cb 0.16 -0.49 -0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1k2u n LEU 557 CO 0.15 -0.30 -0.17 0.61 -1.33 0.00 0.00 177.39 176.36 1k2u n GLY 558 N 0.55 -0.21 3.90 -0.72 0.00 -0.88 -5.01 105.19 102.81 1k2u n GLY 558 Ca 0.04 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.47 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 -4.12 4.18 -0.02 0.99 1.43 -1.26 -5.01 118.68 114.87 1k2u s LEU 559 Ca 0.01 0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 53.52 1k2u s LEU 559 Cb -0.01 -3.46 0.10 0.00 0.03 0.00 0.00 46.19 42.86 1k2u s LEU 559 CO 0.02 -0.05 0.97 -1.59 0.23 0.00 0.00 176.35 175.92 1k2u s LYS 560 N -2.98 0.76 0.15 1.70 -2.85 -1.26 -0.37 119.74 114.89 1k2u s LYS 560 Ca 0.43 -0.31 -0.11 0.00 -1.00 0.00 0.00 55.97 54.99 1k2u s LYS 560 Cb -0.11 0.33 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 1k2u s LYS 560 CO 0.25 -0.34 0.31 -0.46 0.10 0.00 0.00 175.35 175.22 1k2u s TRP 561 N -2.99 0.24 0.39 1.78 -0.11 -0.62 -4.91 118.94 112.72 1k2u s TRP 561 Ca 0.07 -0.61 -0.16 0.00 1.22 0.00 0.00 56.10 56.62 1k2u s TRP 561 Cb -0.01 0.03 -0.09 0.00 -1.50 0.00 0.00 33.47 31.90 1k2u s TRP 561 CO -0.07 -0.72 0.84 1.52 -4.62 0.00 0.00 176.95 173.90 1k2u s TYR 562 N -3.92 3.37 -0.32 5.86 -0.85 -1.26 -0.30 117.35 119.93 1k2u s TYR 562 Ca 0.13 1.34 0.22 0.00 -0.52 0.00 0.00 57.07 58.24 1k2u s TYR 562 Cb 0.03 -2.65 0.15 0.00 0.38 0.00 0.00 41.96 39.87 1k2u s TYR 562 CO -0.03 -0.05 1.31 0.78 -1.52 0.00 0.00 175.55 176.04 1k2u h GLY 563 N 1.86 0.00 -7.60 5.49 0.00 -1.48 -3.46 103.07 97.88 1k2u h GLY 563 Ca -0.48 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.15 1k2u h GLY 563 CO 0.63 0.00 -0.56 -2.27 0.00 0.00 0.00 176.54 174.35 1k2u s LEU 564 N -5.82 4.50 -0.34 3.11 2.96 -1.26 -4.56 118.68 117.27 1k2u s LEU 564 Ca 0.03 -1.01 -0.23 0.00 -0.22 0.00 0.00 54.13 52.71 1k2u s LEU 564 Cb 0.07 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.81 1k2u s LEU 564 CO 0.73 -0.34 0.76 -2.16 -1.32 0.00 0.00 176.35 174.02 1k2u s PRO 565 N 1.50 3.83 -0.35 0.98 0.04 -1.26 -4.69 135.00 135.05 1k2u s PRO 565 Ca 0.01 0.37 -0.00 0.00 0.04 0.00 0.00 61.00 61.42 1k2u s PRO 565 Cb -0.19 -3.78 0.12 0.00 0.04 0.00 0.00 34.50 30.69 1k2u s PRO 565 CO 0.05 -0.76 0.17 0.00 0.04 0.00 0.00 177.00 176.50 1k2u s ALA 566 N 2.97 1.39 0.20 8.56 0.00 -1.26 -2.45 121.76 131.17 1k2u s ALA 566 Ca 0.30 -1.86 -0.31 0.00 0.00 0.00 0.00 51.96 50.09 1k2u s ALA 566 Cb -0.14 -1.65 -0.10 0.00 0.00 0.00 0.00 23.12 21.23 1k2u s ALA 566 CO 0.15 -1.87 1.58 0.08 0.00 0.00 0.00 175.76 175.69 1k2u s VAL 567 N 1.24 2.47 0.00 0.00 1.01 0.23 -0.71 120.40 124.64 1k2u s VAL 567 Ca 0.14 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1k2u s VAL 567 Cb -0.20 -3.23 0.00 0.00 0.00 0.00 0.00 36.38 32.95 1k2u s VAL 567 CO -0.14 0.03 0.46 -1.54 0.00 0.00 0.00 175.10 173.92 1k2u n SER 568 N 3.54 0.68 -0.67 3.32 3.41 0.11 -0.93 113.62 123.08 1k2u n SER 568 Ca 0.13 -1.22 0.06 0.00 -0.26 0.00 0.00 58.87 57.58 1k2u n SER 568 Cb 0.38 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.50 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 -0.11 3.03 -4.95 4.04 0.23 -1.22 -4.40 115.26 111.88 1k2u n ASN 569 Ca 0.00 -2.10 -0.23 0.00 -0.53 0.00 0.00 54.58 51.72 1k2u n ASN 569 Cb 0.25 -0.26 0.00 0.00 -2.08 0.00 0.00 39.78 37.68 1k2u n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1k2u s MET 570 N -1.18 3.24 -0.12 -3.83 -1.94 -1.26 -4.26 119.30 109.94 1k2u s MET 570 Ca 0.25 -0.49 -0.01 0.00 -1.71 0.00 0.00 55.69 53.72 1k2u s MET 570 Cb 0.14 -2.63 -0.03 0.00 2.01 0.00 0.00 34.83 34.32 1k2u s MET 570 CO 0.15 -0.06 -0.06 -1.17 -0.01 0.00 0.00 175.02 173.87 1k2u s LEU 571 N -4.41 3.17 -0.26 -0.03 2.96 0.28 -4.33 118.68 116.06 1k2u s LEU 571 Ca 0.44 -0.10 -0.09 0.00 -0.22 0.00 0.00 54.13 54.16 1k2u s LEU 571 Cb -0.10 -1.73 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1k2u s LEU 571 CO 0.36 0.25 0.12 -0.22 -1.32 0.00 0.00 176.35 175.54 1k2u s LEU 572 N -0.13 3.70 -0.22 -0.68 2.96 -0.79 -0.11 118.68 123.41 1k2u s LEU 572 Ca 0.02 -0.11 -0.05 0.00 -0.22 0.00 0.00 54.13 53.77 1k2u s LEU 572 Cb -0.13 -2.00 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 1k2u s LEU 572 CO 0.03 -0.03 0.00 -0.70 -1.32 0.00 0.00 176.35 174.33 1k2u s GLU 573 N 1.58 3.54 -0.12 1.98 2.12 0.85 -0.87 118.70 127.79 1k2u s GLU 573 Ca 0.06 -0.55 -0.00 0.00 0.36 0.00 0.00 54.97 54.84 1k2u s GLU 573 Cb -0.15 -3.11 0.03 0.00 0.26 0.00 0.00 34.13 31.15 1k2u s GLU 573 CO 0.06 -0.11 -0.08 0.42 -0.54 0.00 0.00 175.26 175.02 1k2u s ILE 574 N 1.31 1.06 -1.63 -3.70 1.01 -0.82 -1.77 121.20 116.65 1k2u s ILE 574 Ca 0.04 -0.32 -0.13 0.00 0.00 0.00 0.00 60.65 60.24 1k2u s ILE 574 Cb -0.15 -1.08 0.11 0.00 0.01 0.00 0.00 42.46 41.36 1k2u s ILE 574 CO 0.01 0.36 0.61 0.61 0.00 0.00 0.00 174.94 176.53 1k2u n GLY 575 N 4.93 -0.36 1.73 6.18 0.00 -1.26 -0.59 105.19 115.83 1k2u n GLY 575 Ca -0.13 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.63 2.94 3.78 -0.02 0.00 -1.26 -3.41 105.19 105.59 1k2u n GLY 576 Ca -0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.61 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 3.94 -0.18 0.99 1.43 0.24 -4.97 118.68 120.13 1k2u s LEU 577 Ca 0.00 2.10 0.01 0.00 -1.03 0.00 0.00 54.13 55.21 1k2u s LEU 577 Cb 0.00 -4.40 0.03 0.00 0.03 0.00 0.00 46.19 41.85 1k2u s LEU 577 CO 0.00 -0.84 -0.17 -1.61 0.23 0.00 0.00 176.35 173.97 1k2u s GLU 578 N -2.94 2.65 -0.66 1.70 2.02 -1.26 -1.95 118.70 118.26 1k2u s GLU 578 Ca 0.65 -0.80 -0.08 0.00 0.02 0.00 0.00 54.97 54.77 1k2u s GLU 578 Cb -0.22 -2.46 0.17 0.00 0.10 0.00 0.00 34.13 31.72 1k2u s GLU 578 CO 0.27 -0.27 0.53 -0.06 0.02 0.00 0.00 175.26 175.74 1k2u s PHE 579 N 1.34 3.53 -0.65 1.61 0.40 -0.04 0.30 117.98 124.46 1k2u s PHE 579 Ca 0.03 -2.33 0.14 0.00 -0.60 0.00 0.00 56.93 54.18 1k2u s PHE 579 Cb -0.14 -3.45 0.68 0.00 0.51 0.00 0.00 43.02 40.62 1k2u s PHE 579 CO -0.11 -0.92 1.44 -1.13 0.70 0.00 0.00 175.22 175.20 1k2u n SER 580 N 3.92 0.31 -3.79 1.36 3.41 -1.26 -1.88 113.62 115.69 1k2u n SER 580 Ca 0.07 0.61 -0.29 0.00 -0.26 0.00 0.00 58.87 59.00 1k2u n SER 580 Cb 0.41 -0.66 -0.16 0.00 -0.26 0.00 0.00 64.21 63.54 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 -3.23 1.42 -0.38 7.33 0.00 -1.19 -4.60 121.76 121.11 1k2u s ALA 581 Ca 0.02 -1.17 0.12 0.00 0.00 0.00 0.00 51.96 50.92 1k2u s ALA 581 Cb 0.06 -1.38 0.40 0.00 0.00 0.00 0.00 23.12 22.19 1k2u s ALA 581 CO 0.20 -1.33 1.10 0.00 0.00 0.00 0.00 175.76 175.73 1k2u n PRO 583 N -0.16 1.10 -4.02 0.00 -0.04 -1.19 -4.58 135.00 126.11 1k2u n PRO 583 Ca 0.06 0.39 -0.13 0.00 -0.04 0.00 0.00 63.50 63.78 1k2u n PRO 583 Cb 0.79 -1.86 -0.14 0.00 -0.04 0.00 0.00 33.50 32.25 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 -0.26 0.29 0.11 0.54 -0.12 -0.11 -1.10 117.98 117.33 1k2u s PHE 584 Ca 0.73 -0.15 0.03 0.00 -0.05 0.00 0.00 56.93 57.48 1k2u s PHE 584 Cb -0.86 -0.18 -0.04 0.00 -0.63 0.00 0.00 43.02 41.31 1k2u s PHE 584 CO 0.53 -0.03 -0.08 -1.54 -0.05 0.00 0.00 175.22 174.04 1k2u s SER 585 N -0.40 1.39 0.00 1.98 1.04 -0.07 -0.60 113.70 117.05 1k2u s SER 585 Ca -0.02 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.45 1k2u s SER 585 Cb -0.03 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.13 1k2u s SER 585 CO -0.00 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.45 1k2u n GLY 586 N 0.06 4.06 3.25 7.32 0.00 -1.02 -2.00 105.19 116.86 1k2u n GLY 586 Ca -0.13 -0.45 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 2.87 -0.08 0.44 1.61 -2.14 -1.26 -4.52 118.94 115.87 1k2u s TRP 587 Ca 0.00 -0.13 -0.22 0.00 2.66 0.00 0.00 56.10 58.41 1k2u s TRP 587 Cb 0.00 0.09 -0.09 0.00 -3.10 0.00 0.00 33.47 30.38 1k2u s TRP 587 CO 0.00 -0.54 1.04 0.71 -2.66 0.00 0.00 176.95 175.50 1k2u s TYR 588 N -2.95 3.14 -0.21 1.66 1.51 -1.26 -4.92 117.35 114.32 1k2u s TYR 588 Ca -0.02 1.61 -0.09 0.00 -1.01 0.00 0.00 57.07 57.56 1k2u s TYR 588 Cb 0.01 -3.08 -0.05 0.00 -0.11 0.00 0.00 41.96 38.73 1k2u s TYR 588 CO -0.06 -0.69 0.11 1.41 -1.11 0.00 0.00 175.55 175.21 1k2u s MET 589 N -2.88 4.04 0.30 -0.62 -2.45 -1.26 -1.59 119.30 114.84 1k2u s MET 589 Ca 0.62 -0.30 0.03 0.00 -1.25 0.00 0.00 55.69 54.80 1k2u s MET 589 Cb -0.19 -3.38 0.75 0.00 1.25 0.00 0.00 34.83 33.27 1k2u s MET 589 CO 0.23 0.18 1.49 0.41 1.05 0.00 0.00 175.02 178.38 1k2u n GLY 590 N 3.87 -1.26 0.34 2.11 0.00 0.88 -1.25 105.19 109.88 1k2u n GLY 590 Ca -0.16 0.92 0.22 0.00 0.00 0.00 0.00 46.02 47.00 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 0.04 -0.58 2.61 1.35 -1.95 -0.85 112.91 113.54 1k2u h THR 591 Ca 0.59 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 66.38 1k2u h THR 591 Cb 1.23 0.99 -0.02 0.00 -1.73 0.00 0.00 68.15 68.62 1k2u h THR 591 CO -0.88 0.00 0.08 -0.33 -0.25 0.00 0.00 175.52 174.14 1k2u h GLU 592 N 0.00 0.95 0.00 4.72 5.08 -1.59 -0.91 114.58 122.83 1k2u h GLU 592 Ca 0.00 -0.24 -0.21 0.00 -1.00 0.00 0.00 59.36 57.91 1k2u h GLU 592 Cb 0.02 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1k2u h GLU 592 CO -0.00 0.88 -1.30 -0.89 -1.00 0.00 0.00 179.01 176.70 1k2u n ILE 593 N -4.23 1.51 -0.14 3.13 5.41 -0.90 -1.32 119.36 122.81 1k2u n ILE 593 Ca 0.04 -0.02 0.01 0.00 1.00 0.00 0.00 62.75 63.78 1k2u n ILE 593 Cb 0.28 -2.11 0.30 0.00 -0.71 0.00 0.00 39.64 37.40 1k2u n ILE 593 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 1k2u h GLY 594 N -1.00 0.90 0.00 7.39 0.00 -1.26 -0.33 103.07 108.77 1k2u h GLY 594 Ca -0.32 -0.35 -0.26 0.00 0.00 0.00 0.00 47.33 46.41 1k2u h GLY 594 CO -0.19 0.34 -1.85 -0.62 0.00 0.00 0.00 176.54 174.22 1k2u n VAL 595 N -4.43 1.52 -0.04 4.60 0.31 -0.37 -4.17 118.33 115.74 1k2u n VAL 595 Ca 0.06 -0.15 -0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1k2u n VAL 595 Cb 0.05 -2.09 -0.00 0.00 -0.91 0.00 0.00 33.84 30.89 1k2u n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1k2u h ARG 596 N -1.00 0.00 -0.79 5.55 2.47 -1.54 -1.88 114.38 117.20 1k2u h ARG 596 Ca -0.39 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.36 1k2u h ARG 596 Cb 1.34 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.61 1k2u h ARG 596 CO -0.24 0.00 0.52 -0.44 0.56 0.00 0.00 179.97 180.37 1k2u h ASP 597 N -0.88 0.85 0.13 7.04 3.32 -1.16 -2.15 116.42 123.56 1k2u h ASP 597 Ca 0.00 -0.01 -0.36 0.00 0.02 0.00 0.00 57.03 56.68 1k2u h ASP 597 Cb 0.01 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 1k2u h ASP 597 CO 0.00 0.59 -2.11 -1.22 -1.72 0.00 0.00 179.24 174.78 1k2u n TYR 598 N -4.44 0.84 0.83 4.55 0.53 -0.14 -2.42 117.16 116.90 1k2u n TYR 598 Ca 0.10 0.20 0.08 0.00 -1.02 0.00 0.00 57.90 57.26 1k2u n TYR 598 Cb 0.10 -1.12 -0.08 0.00 -1.03 0.00 0.00 39.34 37.21 1k2u n TYR 598 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1k2u s ASP 600 N -2.57 4.75 0.33 0.00 1.11 -0.81 -4.70 116.67 114.78 1k2u s ASP 600 Ca 0.08 2.67 0.09 0.00 0.18 0.00 0.00 52.55 55.56 1k2u s ASP 600 Cb 0.13 -2.62 0.56 0.00 1.07 0.00 0.00 42.92 42.07 1k2u s ASP 600 CO 0.68 -1.91 1.76 0.78 1.18 0.00 0.00 175.17 177.66 1k2u h ASN 601 N 0.76 0.17 -0.30 0.27 2.35 -1.93 -2.80 115.58 114.11 1k2u h ASN 601 Ca -0.51 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.18 1k2u h ASN 601 Cb 1.33 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.65 1k2u h ASN 601 CO 0.54 0.53 0.00 -1.20 -1.65 0.00 0.00 177.43 175.65 1k2u n SER 602 N -4.07 3.13 0.00 5.81 7.64 -1.26 -4.57 113.62 120.31 1k2u n SER 602 Ca -0.01 -2.38 0.00 0.00 1.01 0.00 0.00 58.87 57.48 1k2u n SER 602 Cb 0.44 -0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.10 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 0.36 1.99 0.26 1.43 5.12 -1.06 -4.25 116.66 120.52 1k2u n ARG 603 Ca 0.14 0.00 0.17 0.00 -1.93 0.00 0.00 57.85 56.23 1k2u n ARG 603 Cb 0.65 0.00 0.77 0.00 -1.16 0.00 0.00 32.46 32.73 1k2u n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1k2u h TYR 604 N 0.00 0.00 -6.74 -1.55 -1.99 -1.63 -3.42 116.97 101.64 1k2u h TYR 604 Ca 0.00 0.00 -0.49 0.00 2.00 0.00 0.00 58.73 60.24 1k2u h TYR 604 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 1k2u h TYR 604 CO 0.00 0.00 -1.06 -1.71 -0.00 0.00 0.00 178.16 175.39 1k2u n ASN 605 N -2.92 -4.84 -0.94 3.88 5.15 -0.34 -4.90 115.26 110.35 1k2u n ASN 605 Ca -0.00 -0.99 0.12 0.00 -0.60 0.00 0.00 54.58 53.11 1k2u n ASN 605 Cb 0.23 -1.77 0.19 0.00 -0.53 0.00 0.00 39.78 37.90 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 -2.92 0.15 0.03 -1.44 -5.35 -0.52 -4.65 119.36 104.67 1k2u n ILE 606 Ca -0.29 -0.54 -0.15 0.00 -0.27 0.00 0.00 62.75 61.51 1k2u n ILE 606 Cb 0.67 1.19 -0.09 0.00 -1.74 0.00 0.00 39.64 39.67 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 4.27 -1.59 -0.43 7.28 3.38 -1.89 -0.45 115.31 125.88 1k2u h LEU 607 Ca 0.00 0.19 0.09 0.00 0.09 0.00 0.00 57.88 58.24 1k2u h LEU 607 Cb 0.92 0.61 -0.08 0.00 0.09 0.00 0.00 40.66 42.20 1k2u h LEU 607 CO 0.00 -0.50 -0.08 -0.33 0.09 0.00 0.00 178.44 177.63 1k2u h GLU 608 N -0.62 0.03 -0.34 1.13 5.08 -1.99 0.50 114.58 118.37 1k2u h GLU 608 Ca 0.03 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 1k2u h GLU 608 Cb 0.70 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1k2u h GLU 608 CO -0.38 0.02 -0.03 1.49 -1.00 0.00 0.00 179.01 179.11 1k2u h GLU 609 N 0.03 0.54 -0.11 2.33 4.81 -1.82 0.32 114.58 120.68 1k2u h GLU 609 Ca 0.21 -0.13 -0.20 0.00 -0.13 0.00 0.00 59.36 59.12 1k2u h GLU 609 Cb 0.32 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.63 1k2u h GLU 609 CO -0.42 0.59 -0.74 0.28 -0.73 0.00 0.00 179.01 177.99 1k2u h VAL 610 N 0.51 1.34 0.26 0.32 2.07 0.03 -2.90 116.25 117.88 1k2u h VAL 610 Ca 0.11 -2.06 -0.01 0.00 0.82 0.00 0.00 66.70 65.55 1k2u h VAL 610 Cb 0.38 2.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1k2u h VAL 610 CO 0.02 0.63 -0.13 0.00 0.02 0.00 0.00 177.57 178.11 1k2u h ALA 611 N 0.80 -0.35 -0.48 1.67 0.00 0.55 -2.29 119.26 119.16 1k2u h ALA 611 Ca -0.04 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 54.78 1k2u h ALA 611 Cb 1.33 0.14 -0.10 0.00 0.00 0.00 0.00 17.79 19.16 1k2u h ALA 611 CO 0.14 -0.52 -0.35 0.87 0.00 0.00 0.00 179.25 179.38 1k2u h LYS 612 N -0.71 -0.22 0.00 0.00 1.57 -0.44 0.20 116.57 116.98 1k2u h LYS 612 Ca -0.04 0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1k2u h LYS 612 Cb 0.48 0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1k2u h LYS 612 CO 0.06 -0.15 -0.08 0.87 -0.57 0.00 0.00 179.45 179.58 1k2u h LYS 613 N -0.23 0.00 0.00 3.15 1.57 -1.55 0.22 116.57 119.73 1k2u h LYS 613 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1k2u h LYS 613 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1k2u h LYS 613 CO -0.61 0.08 0.00 -1.33 -0.57 0.00 0.00 179.45 177.03 1k2u n MET 614 N -3.98 0.05 -3.17 3.15 2.81 0.53 -4.94 117.12 111.57 1k2u n MET 614 Ca -0.02 0.04 -0.04 0.00 -1.81 0.00 0.00 57.70 55.87 1k2u n MET 614 Cb 0.17 -1.56 0.00 0.00 -0.71 0.00 0.00 33.22 31.13 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 -1.64 -7.37 -4.60 7.83 2.03 0.78 -5.02 116.55 108.56 1k2u n ASP 615 Ca 0.07 -0.20 -0.29 0.00 0.52 0.00 0.00 54.79 54.89 1k2u n ASP 615 Cb 0.35 -4.78 -0.09 0.00 -0.72 0.00 0.00 41.12 35.88 1k2u n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1k2u s LEU 616 N -4.13 3.09 -0.88 -2.67 1.43 -1.18 -5.04 118.68 109.31 1k2u s LEU 616 Ca 0.00 -0.41 -0.25 0.00 -1.03 0.00 0.00 54.13 52.45 1k2u s LEU 616 Cb -0.00 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1k2u s LEU 616 CO 0.77 0.15 1.90 -0.62 0.23 0.00 0.00 176.35 178.78 1k2u s ASP 617 N -2.43 5.27 -0.03 2.29 3.68 -1.26 -4.76 116.67 119.43 1k2u s ASP 617 Ca 0.23 -0.62 0.11 0.00 2.13 0.00 0.00 52.55 54.39 1k2u s ASP 617 Cb -0.10 -2.56 0.35 0.00 -1.45 0.00 0.00 42.92 39.16 1k2u s ASP 617 CO 0.15 -2.61 1.25 0.23 0.13 0.00 0.00 175.17 174.32 1k2u n MET 618 N 8.90 2.12 0.01 4.34 2.81 -1.26 -4.17 117.12 129.87 1k2u n MET 618 Ca 0.37 -1.41 -0.08 0.00 -1.81 0.00 0.00 57.70 54.78 1k2u n MET 618 Cb 0.48 -1.43 0.10 0.00 -0.71 0.00 0.00 33.22 31.66 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 2.17 0.53 -3.66 0.03 3.08 -2.04 -3.44 114.38 111.04 1k2u h ARG 619 Ca 0.00 -0.29 -0.29 0.00 0.07 0.00 0.00 59.98 59.47 1k2u h ARG 619 Cb 0.67 0.02 -0.32 0.00 0.08 0.00 0.00 29.97 30.42 1k2u h ARG 619 CO 0.06 0.88 -0.73 -1.59 -1.07 0.00 0.00 179.97 177.52 1k2u s LYS 620 N -4.14 0.06 0.36 0.04 -2.85 -1.26 -5.05 119.74 106.90 1k2u s LYS 620 Ca -0.07 0.09 0.09 0.00 -1.00 0.00 0.00 55.97 55.08 1k2u s LYS 620 Cb 0.12 -0.22 0.81 0.00 -2.06 0.00 0.00 37.83 36.48 1k2u s LYS 620 CO 0.83 -0.10 1.88 1.79 0.10 0.00 0.00 175.35 179.85 1k2u h THR 621 N 5.88 0.85 0.00 3.79 1.35 -1.89 -2.17 112.91 120.72 1k2u h THR 621 Ca -0.38 -0.24 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 1k2u h THR 621 Cb 1.15 0.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1k2u h THR 621 CO 0.49 0.13 0.00 -1.54 -0.25 0.00 0.00 175.52 174.35 1k2u n SER 622 N -4.55 0.00 0.03 5.36 3.41 -1.26 0.58 113.62 117.19 1k2u n SER 622 Ca 0.17 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.89 1k2u n SER 622 Cb 0.44 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.55 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 -0.95 0.62 -3.19 4.04 3.41 -0.82 -4.96 113.62 111.77 1k2u n SER 623 Ca 0.00 -0.07 -0.20 0.00 -0.26 0.00 0.00 58.87 58.35 1k2u n SER 623 Cb 0.00 0.33 0.07 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.89 -3.35 -0.09 1.04 4.77 0.20 -4.92 117.00 112.75 1k2u n LEU 624 Ca 0.04 -0.49 -0.06 0.00 -0.03 0.00 0.00 56.01 55.47 1k2u n LEU 624 Cb 0.41 -2.74 0.13 0.00 -2.33 0.00 0.00 43.42 38.89 1k2u n LEU 624 CO 0.37 0.53 0.80 4.11 -1.33 0.00 0.00 177.39 181.86 1k2u h TRP 625 N -2.23 0.83 -0.36 -1.77 5.08 -1.83 -1.49 115.95 114.19 1k2u h TRP 625 Ca -0.50 -0.15 -0.01 0.00 1.08 0.00 0.00 58.89 59.31 1k2u h TRP 625 Cb 1.32 -0.22 -0.02 0.00 -3.00 0.00 0.00 29.16 27.25 1k2u h TRP 625 CO 0.43 0.83 0.19 0.87 -1.28 0.00 0.00 178.44 179.48 1k2u h LYS 626 N 0.69 0.50 0.11 0.12 1.57 -1.91 -1.03 116.57 116.63 1k2u h LYS 626 Ca 0.12 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1k2u h LYS 626 Cb 0.58 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1k2u h LYS 626 CO 0.04 0.43 -0.06 -0.44 -0.57 0.00 0.00 179.45 178.85 1k2u h ASP 627 N 0.45 -0.13 -0.49 0.86 5.19 -1.91 -1.63 116.42 118.76 1k2u h ASP 627 Ca 0.12 -0.11 0.10 0.00 -0.62 0.00 0.00 57.03 56.52 1k2u h ASP 627 Cb 0.08 0.03 -0.08 0.00 0.18 0.00 0.00 39.33 39.54 1k2u h ASP 627 CO -0.02 0.03 -0.00 1.56 -3.12 0.00 0.00 179.24 177.68 1k2u h GLN 628 N -0.28 0.11 -0.44 3.56 4.20 -1.14 -1.30 115.11 119.82 1k2u h GLN 628 Ca -0.02 -0.01 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 1k2u h GLN 628 Cb 0.23 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 1k2u h GLN 628 CO 0.03 0.07 0.01 0.00 -0.67 0.00 0.00 178.83 178.27 1k2u h ALA 629 N 1.44 1.21 -0.57 3.87 0.00 -1.10 -2.99 119.26 121.12 1k2u h ALA 629 Ca 0.25 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1k2u h ALA 629 Cb 0.37 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1k2u h ALA 629 CO -0.42 0.52 0.35 1.25 0.00 0.00 0.00 179.25 180.96 1k2u h LEU 630 N 0.66 0.56 -0.03 0.00 5.85 -0.24 -1.19 115.31 120.92 1k2u h LEU 630 Ca 0.14 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 1k2u h LEU 630 Cb 0.40 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 1k2u h LEU 630 CO 0.01 0.39 0.02 0.58 -0.34 0.00 0.00 178.44 179.10 1k2u h VAL 631 N 0.68 1.07 -0.66 1.05 2.07 -1.30 -1.02 116.25 118.13 1k2u h VAL 631 Ca 0.23 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1k2u h VAL 631 Cb 0.03 1.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 1k2u h VAL 631 CO -0.10 0.06 0.41 -0.33 0.02 0.00 0.00 177.57 177.62 1k2u h GLU 632 N -0.04 0.77 -0.56 1.57 4.39 -1.41 0.38 114.58 119.68 1k2u h GLU 632 Ca 0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1k2u h GLU 632 Cb 0.08 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 28.53 1k2u h GLU 632 CO -0.00 0.51 0.37 0.82 -1.16 0.00 0.00 179.01 179.54 1k2u h ILE 633 N 0.79 1.15 0.00 3.13 2.04 -1.01 0.12 117.51 123.74 1k2u h ILE 633 Ca 0.27 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.77 1k2u h ILE 633 Cb 0.04 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 36.44 1k2u h ILE 633 CO -0.11 0.15 -0.34 0.78 0.00 0.00 0.00 178.15 178.62 1k2u h ASN 634 N 0.76 0.00 -0.04 1.72 4.21 -0.54 -2.02 115.58 119.67 1k2u h ASN 634 Ca 0.20 0.00 -0.00 0.00 1.21 0.00 0.00 56.30 57.71 1k2u h ASN 634 Cb -0.07 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.13 1k2u h ASN 634 CO -0.04 0.34 0.01 0.40 -1.29 0.00 0.00 177.43 176.85 1k2u h ILE 635 N 0.00 1.15 -0.93 2.81 1.08 0.10 -2.74 117.51 118.98 1k2u h ILE 635 Ca -0.00 -0.44 0.02 0.00 -0.39 0.00 0.00 64.86 64.05 1k2u h ILE 635 Cb 0.79 1.38 -0.05 0.00 -3.07 0.00 0.00 36.82 35.87 1k2u h ILE 635 CO 0.04 0.12 0.61 0.00 -0.69 0.00 0.00 178.15 178.23 1k2u h ALA 636 N 0.84 1.20 0.05 1.87 0.00 -0.46 -1.62 119.26 121.13 1k2u h ALA 636 Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1k2u h ALA 636 Cb 0.18 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1k2u h ALA 636 CO -0.00 0.53 -0.03 0.28 0.00 0.00 0.00 179.25 180.03 1k2u h VAL 637 N 1.22 1.08 0.05 0.00 2.07 -1.28 -0.71 116.25 118.69 1k2u h VAL 637 Ca 0.35 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1k2u h VAL 637 Cb -0.08 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1k2u h VAL 637 CO -0.09 0.11 -0.03 -0.07 0.02 0.00 0.00 177.57 177.51 1k2u h LEU 638 N -0.27 -0.06 -0.38 2.57 3.38 -1.40 -2.32 115.31 116.83 1k2u h LEU 638 Ca -0.01 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.03 1k2u h LEU 638 Cb 0.24 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.93 1k2u h LEU 638 CO 0.01 -0.03 -0.09 0.22 0.09 0.00 0.00 178.44 178.63 1k2u h TYR 639 N -0.08 -0.20 0.20 1.13 3.20 -1.26 -1.26 116.97 118.70 1k2u h TYR 639 Ca -0.01 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1k2u h TYR 639 Cb 0.07 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 1k2u h TYR 639 CO -0.07 -0.16 -0.14 0.77 -1.64 0.00 0.00 178.16 176.92 1k2u h SER 640 N -0.00 -0.34 -0.51 -2.11 0.02 -0.98 -0.77 113.55 108.86 1k2u h SER 640 Ca 0.18 0.02 0.05 0.00 -0.84 0.00 0.00 61.79 61.21 1k2u h SER 640 Cb 0.28 0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 1k2u h SER 640 CO -0.39 -0.22 0.25 -0.26 -1.14 0.00 0.00 176.83 175.07 1k2u h PHE 641 N -0.34 0.45 -0.17 3.45 -1.00 -1.16 -1.34 116.94 116.83 1k2u h PHE 641 Ca -0.02 0.02 -0.04 0.00 2.81 0.00 0.00 57.97 60.75 1k2u h PHE 641 Cb 0.29 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.71 1k2u h PHE 641 CO -0.10 0.21 -0.06 1.96 -1.61 0.00 0.00 178.31 178.71 1k2u h GLN 642 N 0.48 0.25 0.00 1.51 4.20 -1.06 -0.56 115.11 119.93 1k2u h GLN 642 Ca 0.23 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.78 1k2u h GLN 642 Cb 0.16 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 1k2u h GLN 642 CO -0.17 0.33 -0.56 0.77 -0.67 0.00 0.00 178.83 178.53 1k2u h SER 643 N 0.25 0.00 -0.64 1.46 0.02 -0.10 -2.86 113.55 111.69 1k2u h SER 643 Ca 0.06 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1k2u h SER 643 Cb 0.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.81 1k2u h SER 643 CO 0.01 0.56 0.00 0.47 -1.14 0.00 0.00 176.83 176.73 1k2u n ASP 644 N -3.52 4.74 -3.99 3.07 8.00 -0.63 -4.94 116.55 119.27 1k2u n ASP 644 Ca -0.00 -2.46 -0.29 0.00 0.71 0.00 0.00 54.79 52.75 1k2u n ASP 644 Cb 0.64 -0.58 -0.00 0.00 -0.02 0.00 0.00 41.12 41.15 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 1.09 -4.03 -4.15 -1.24 5.02 -0.85 -4.96 118.16 109.05 1k2u n LYS 645 Ca 0.25 0.47 -0.34 0.00 -2.02 0.00 0.00 58.31 56.67 1k2u n LYS 645 Cb 0.89 -5.02 -0.14 0.00 -0.02 0.00 0.00 35.03 30.75 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 -3.56 3.51 0.36 -0.18 1.01 -0.28 -4.26 120.40 117.00 1k2u s VAL 646 Ca 0.39 -0.47 -0.25 0.00 0.00 0.00 0.00 61.98 61.65 1k2u s VAL 646 Cb -0.20 -2.57 -0.13 0.00 0.00 0.00 0.00 36.38 33.48 1k2u s VAL 646 CO 0.88 0.45 0.84 0.41 0.00 0.00 0.00 175.10 177.67 1k2u n THR 647 N 4.31 2.07 -3.61 3.92 -1.04 0.94 -4.35 114.28 116.52 1k2u n THR 647 Ca -0.18 -0.50 -0.06 0.00 -2.04 0.00 0.00 64.05 61.28 1k2u n THR 647 Cb 0.52 -0.84 -0.04 0.00 -1.82 0.00 0.00 70.33 68.14 1k2u n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1k2u s ILE 648 N -1.24 0.00 0.01 12.58 2.07 -1.26 -4.59 121.20 128.77 1k2u s ILE 648 Ca 0.62 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.89 1k2u s ILE 648 Cb -0.64 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 40.93 1k2u s ILE 648 CO 0.58 0.00 -0.11 0.54 -1.91 0.00 0.00 174.94 174.05 1k2u s VAL 649 N -1.31 0.82 0.49 4.00 0.11 -0.62 -4.99 120.40 118.91 1k2u s VAL 649 Ca 0.05 -0.60 -0.06 0.00 -2.93 0.00 0.00 61.98 58.43 1k2u s VAL 649 Cb -0.01 -0.72 -0.04 0.00 -1.53 0.00 0.00 36.38 34.08 1k2u s VAL 649 CO -0.04 0.12 0.81 1.51 -3.33 0.00 0.00 175.10 174.17 1k2u s ASP 650 N -0.55 6.28 0.60 3.54 -4.77 -1.26 -0.08 116.67 120.42 1k2u s ASP 650 Ca 0.02 1.00 0.31 0.00 -3.30 0.00 0.00 52.55 50.58 1k2u s ASP 650 Cb -0.05 -2.28 1.87 0.00 -1.09 0.00 0.00 42.92 41.37 1k2u s ASP 650 CO 0.00 -0.60 2.25 1.12 0.70 0.00 0.00 175.17 178.64 1k2u h HIS 651 N 0.23 0.00 0.29 2.11 2.07 -1.97 -1.13 115.15 116.74 1k2u h HIS 651 Ca -0.47 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.04 1k2u h HIS 651 Cb 1.20 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.18 1k2u h HIS 651 CO 0.59 0.00 -0.14 0.45 -3.07 0.00 0.00 177.93 175.76 1k2u h HIS 652 N 0.00 -0.37 -0.53 6.12 3.86 -1.96 -1.78 115.15 120.49 1k2u h HIS 652 Ca 0.01 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1k2u h HIS 652 Cb 0.05 0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 1k2u h HIS 652 CO 0.00 -0.03 0.33 0.77 0.86 0.00 0.00 177.93 179.86 1k2u h SER 653 N -0.93 0.63 -0.71 2.45 0.02 -1.92 -1.35 113.55 111.74 1k2u h SER 653 Ca -0.04 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1k2u h SER 653 Cb 0.51 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 1k2u h SER 653 CO 0.07 0.49 0.41 0.00 -1.14 0.00 0.00 176.83 176.65 1k2u h ALA 654 N 1.17 0.91 0.00 3.77 0.00 -1.28 -0.10 119.26 123.72 1k2u h ALA 654 Ca 0.19 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1k2u h ALA 654 Cb -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1k2u h ALA 654 CO -0.04 0.40 -0.62 1.79 0.00 0.00 0.00 179.25 180.79 1k2u h THR 655 N 0.97 1.26 -0.10 0.00 1.35 -1.15 -1.69 112.91 113.56 1k2u h THR 655 Ca 0.25 -2.26 -0.17 0.00 -0.55 0.00 0.00 66.41 63.68 1k2u h THR 655 Cb 0.01 2.28 0.01 0.00 -1.73 0.00 0.00 68.15 68.72 1k2u h THR 655 CO -0.04 0.61 -0.59 -0.08 -0.25 0.00 0.00 175.52 175.16 1k2u h GLU 656 N 0.00 0.58 -0.70 4.72 4.81 -0.94 -2.33 114.58 120.72 1k2u h GLU 656 Ca -0.01 -0.49 -0.06 0.00 -0.13 0.00 0.00 59.36 58.68 1k2u h GLU 656 Cb 1.23 0.11 -0.03 0.00 0.63 0.00 0.00 28.75 30.69 1k2u h GLU 656 CO 0.08 1.11 0.21 0.77 -0.73 0.00 0.00 179.01 180.45 1k2u h SER 657 N 0.21 1.01 -0.26 1.04 0.02 -1.00 -2.66 113.55 111.90 1k2u h SER 657 Ca -0.04 -0.19 -0.04 0.00 -0.84 0.00 0.00 61.79 60.68 1k2u h SER 657 Cb 1.24 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 1k2u h SER 657 CO 0.12 0.94 0.03 0.15 -1.14 0.00 0.00 176.83 176.93 1k2u h PHE 658 N 1.03 0.56 -0.53 3.45 3.57 -1.22 0.67 116.94 124.47 1k2u h PHE 658 Ca 0.23 -0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.60 1k2u h PHE 658 Cb 0.30 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1k2u h PHE 658 CO 0.02 0.53 0.03 0.82 -2.23 0.00 0.00 178.31 177.48 1k2u h ILE 659 N 0.53 1.26 -0.40 1.41 1.08 -1.08 0.22 117.51 120.52 1k2u h ILE 659 Ca 0.12 -1.06 -0.07 0.00 -0.39 0.00 0.00 64.86 63.46 1k2u h ILE 659 Cb 0.29 0.89 -0.01 0.00 -3.07 0.00 0.00 36.82 34.92 1k2u h ILE 659 CO 0.01 0.38 -0.00 0.11 -0.69 0.00 0.00 178.15 177.95 1k2u h LYS 660 N 0.80 0.72 -0.74 2.37 1.57 -1.15 -1.18 116.57 118.96 1k2u h LYS 660 Ca 0.15 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1k2u h LYS 660 Cb 0.49 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1k2u h LYS 660 CO 0.02 0.80 0.35 1.25 -0.57 0.00 0.00 179.45 181.30 1k2u h HIS 661 N 0.55 1.08 -0.27 -1.35 2.76 -0.68 -0.97 115.15 116.26 1k2u h HIS 661 Ca 0.11 -0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.22 1k2u h HIS 661 Cb 0.48 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.10 1k2u h HIS 661 CO 0.04 0.80 0.14 1.98 -1.30 0.00 0.00 177.93 179.58 1k2u h MET 662 N 1.04 0.39 -0.38 5.26 1.85 -0.27 0.04 114.93 122.86 1k2u h MET 662 Ca 0.25 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 59.28 1k2u h MET 662 Cb 0.13 -0.07 -0.02 0.00 0.43 0.00 0.00 31.60 32.07 1k2u h MET 662 CO -0.03 0.36 0.18 0.93 -0.40 0.00 0.00 176.91 177.95 1k2u h GLU 663 N 0.32 0.55 -0.70 0.39 5.08 -1.05 -1.35 114.58 117.81 1k2u h GLU 663 Ca 0.09 -0.08 0.08 0.00 -1.00 0.00 0.00 59.36 58.46 1k2u h GLU 663 Cb 0.09 -0.10 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 1k2u h GLU 663 CO -0.01 0.49 0.36 -0.97 -1.00 0.00 0.00 179.01 177.87 1k2u h ASN 664 N 0.47 0.48 -0.38 1.42 -0.00 -0.92 -1.57 115.58 115.09 1k2u h ASN 664 Ca 0.13 0.05 -0.06 0.00 -0.00 0.00 0.00 56.30 56.43 1k2u h ASN 664 Cb 0.12 -0.03 -0.02 0.00 -0.00 0.00 0.00 38.32 38.38 1k2u h ASN 664 CO -0.02 0.29 0.05 -0.33 -0.00 0.00 0.00 177.43 177.42 1k2u h GLU 665 N 0.62 0.72 -0.58 6.67 4.39 -0.47 -1.72 114.58 124.21 1k2u h GLU 665 Ca 0.34 -0.16 -0.09 0.00 0.34 0.00 0.00 59.36 59.78 1k2u h GLU 665 Cb 0.32 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1k2u h GLU 665 CO -0.25 0.70 0.01 1.88 -1.16 0.00 0.00 179.01 180.19 1k2u h TYR 666 N 0.69 1.11 -0.00 4.33 -1.99 -0.32 -0.37 116.97 120.41 1k2u h TYR 666 Ca 0.14 -0.19 0.00 0.00 2.00 0.00 0.00 58.73 60.69 1k2u h TYR 666 Cb 0.35 -0.29 0.00 0.00 2.00 0.00 0.00 36.73 38.79 1k2u h TYR 666 CO 0.02 0.99 -0.03 2.89 -0.00 0.00 0.00 178.16 182.02 1k2u n ARG 667 N -4.23 0.87 0.00 4.88 1.85 -0.77 -1.55 116.66 117.72 1k2u n ARG 667 Ca 0.02 -0.19 0.00 0.00 -1.00 0.00 0.00 57.85 56.69 1k2u n ARG 667 Cb 0.34 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 1k2u n ARG 667 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1k2u n ARG 669 N -0.76 3.78 -0.57 0.00 0.63 -0.18 -5.03 116.66 114.53 1k2u n ARG 669 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1k2u n ARG 669 Cb 0.00 -0.68 0.00 0.00 0.45 0.00 0.00 32.46 32.23 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 0.93 0.70 0.00 5.14 0.00 -0.59 -4.39 105.19 106.98 1k2u n GLY 670 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.43 0.42 3.14 -0.02 0.00 -1.17 0.19 105.19 105.32 1k2u n GLY 671 Ca 0.00 -1.19 0.04 0.00 0.00 0.00 0.00 46.02 44.87 1k2u n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2u s PRO 673 N 2.64 4.13 -0.06 0.00 0.04 -1.26 -4.63 135.00 135.86 1k2u s PRO 673 Ca 0.14 2.57 -0.05 0.00 0.04 0.00 0.00 61.00 63.70 1k2u s PRO 673 Cb -0.07 -3.07 0.02 0.00 0.04 0.00 0.00 34.50 31.42 1k2u s PRO 673 CO -0.22 -0.70 0.15 0.00 0.04 0.00 0.00 177.00 176.27 1k2u s ALA 674 N 0.85 -0.37 -0.50 8.56 0.00 0.75 -4.09 121.76 126.96 1k2u s ALA 674 Ca 0.71 0.44 -0.13 0.00 0.00 0.00 0.00 51.96 52.98 1k2u s ALA 674 Cb -0.48 -0.26 0.12 0.00 0.00 0.00 0.00 23.12 22.49 1k2u s ALA 674 CO 0.36 -0.08 0.41 0.34 0.00 0.00 0.00 175.76 176.80 1k2u s ASP 675 N 0.15 5.97 0.27 0.00 -1.08 0.11 -3.64 116.67 118.45 1k2u s ASP 675 Ca -0.01 -1.77 -0.01 0.00 -0.52 0.00 0.00 52.55 50.25 1k2u s ASP 675 Cb -0.02 -2.12 0.49 0.00 -1.46 0.00 0.00 42.92 39.81 1k2u s ASP 675 CO -0.00 -0.75 1.82 -0.25 0.52 0.00 0.00 175.17 176.51 1k2u h TRP 676 N 8.68 1.02 -0.96 -5.34 7.01 -1.92 0.36 115.95 124.80 1k2u h TRP 676 Ca -0.26 0.03 0.08 0.00 2.11 0.00 0.00 58.89 60.85 1k2u h TRP 676 Cb 1.09 -0.32 -0.07 0.00 -2.10 0.00 0.00 29.16 27.77 1k2u h TRP 676 CO 0.68 0.40 0.62 0.28 -2.79 0.00 0.00 178.44 177.63 1k2u h VAL 677 N 0.90 1.03 0.05 2.65 2.07 -1.92 -2.07 116.25 118.97 1k2u h VAL 677 Ca 0.46 -0.36 -0.32 0.00 0.82 0.00 0.00 66.70 67.29 1k2u h VAL 677 Cb 0.44 -0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.06 1k2u h VAL 677 CO -0.26 0.19 -1.84 0.79 0.02 0.00 0.00 177.57 176.47 1k2u n TRP 678 N -4.52 1.10 -0.12 1.57 7.02 -0.66 -4.41 117.44 117.42 1k2u n TRP 678 Ca 0.16 0.32 -0.11 0.00 -1.02 0.00 0.00 57.50 56.85 1k2u n TRP 678 Cb 0.24 -1.17 -0.02 0.00 -2.42 0.00 0.00 31.31 27.93 1k2u n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1k2u h ILE 679 N 0.03 1.26 -2.92 -0.99 1.08 -0.15 -3.43 117.51 112.39 1k2u h ILE 679 Ca -0.35 -0.95 -0.52 0.00 -0.39 0.00 0.00 64.86 62.64 1k2u h ILE 679 Cb 2.03 1.21 0.05 0.00 -3.07 0.00 0.00 36.82 37.03 1k2u h ILE 679 CO 0.08 0.31 0.88 -0.69 -0.69 0.00 0.00 178.15 178.04 1k2u s VAL 680 N -5.01 2.52 0.65 1.67 1.01 -0.79 -4.93 120.40 115.52 1k2u s VAL 680 Ca -0.13 0.39 -0.17 0.00 0.00 0.00 0.00 61.98 62.06 1k2u s VAL 680 Cb 0.09 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 1k2u s VAL 680 CO 0.77 0.04 1.21 -2.84 0.00 0.00 0.00 175.10 174.28 1k2u s PRO 681 N 0.82 2.64 0.00 2.72 0.02 -1.26 -4.91 135.00 135.03 1k2u s PRO 681 Ca 0.69 1.80 0.03 0.00 0.02 0.00 0.00 61.00 63.53 1k2u s PRO 681 Cb -0.44 -1.89 0.16 0.00 0.02 0.00 0.00 34.50 32.34 1k2u s PRO 681 CO 0.34 -1.46 0.70 -0.35 -0.33 0.00 0.00 177.00 175.90 1k2u n PRO 682 N -2.06 0.56 -3.65 5.54 -0.04 -1.26 -4.25 135.00 129.84 1k2u n PRO 682 Ca 0.14 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.46 1k2u n PRO 682 Cb 0.50 -1.07 -0.06 0.00 -0.04 0.00 0.00 33.50 32.82 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 0.92 -0.74 0.54 0.23 -1.26 -4.91 119.30 112.08 1k2u s MET 683 Ca 0.04 -0.30 0.00 0.00 -1.03 0.00 0.00 55.69 54.40 1k2u s MET 683 Cb 0.02 0.41 0.00 0.00 -1.53 0.00 0.00 34.83 33.73 1k2u s MET 683 CO 0.03 -0.31 0.00 0.43 -2.03 0.00 0.00 175.02 173.14 1k2u n SER 684 N 0.57 -2.99 -0.30 -1.18 7.64 -1.26 -4.85 113.62 111.25 1k2u n SER 684 Ca -0.19 0.28 -0.08 0.00 1.01 0.00 0.00 58.87 59.90 1k2u n SER 684 Cb 0.59 -2.60 -0.07 0.00 -1.01 0.00 0.00 64.21 61.12 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 -0.69 -2.19 0.00 0.23 0.00 -1.26 -1.39 105.19 99.90 1k2u n GLY 685 Ca -0.10 0.92 0.08 0.00 0.00 0.00 0.00 46.02 46.92 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 -4.76 0.00 -1.19 1.61 3.41 -1.26 -2.45 113.62 108.98 1k2u n SER 686 Ca 0.01 0.40 0.10 0.00 -0.26 0.00 0.00 58.87 59.12 1k2u n SER 686 Cb 0.19 -0.45 0.28 0.00 -0.26 0.00 0.00 64.21 63.97 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 -1.45 0.93 -4.72 -1.33 -5.35 -0.48 -4.80 119.36 102.15 1k2u n ILE 687 Ca 0.05 -0.86 -0.33 0.00 -0.27 0.00 0.00 62.75 61.34 1k2u n ILE 687 Cb 0.17 0.37 -0.12 0.00 -1.74 0.00 0.00 39.64 38.32 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 -1.25 3.30 0.24 7.28 -4.23 -1.02 -5.05 115.64 114.91 1k2u s THR 688 Ca 0.42 -0.72 -0.05 0.00 -1.18 0.00 0.00 61.69 60.16 1k2u s THR 688 Cb 0.23 -2.35 0.21 0.00 1.34 0.00 0.00 72.50 71.92 1k2u s THR 688 CO 0.27 0.53 1.79 1.55 -0.54 0.00 0.00 174.62 178.22 1k2u h PRO 689 N 5.07 0.66 -1.00 3.99 0.13 -1.86 -2.97 132.00 136.02 1k2u h PRO 689 Ca -0.48 -0.04 0.26 0.00 -0.87 0.00 0.00 66.00 64.87 1k2u h PRO 689 Cb 1.16 -0.15 -0.07 0.00 0.13 0.00 0.00 31.00 32.07 1k2u h PRO 689 CO 0.51 0.44 0.67 -0.39 -0.23 0.00 0.00 178.00 179.00 1k2u h VAL 690 N 0.68 0.55 -0.90 1.56 -1.51 -1.90 -1.47 116.25 113.26 1k2u h VAL 690 Ca 0.39 -0.09 0.12 0.00 -1.23 0.00 0.00 66.70 65.89 1k2u h VAL 690 Cb 0.43 0.26 -0.07 0.00 -2.13 0.00 0.00 31.29 29.78 1k2u h VAL 690 CO -0.28 0.05 0.58 0.15 -1.23 0.00 0.00 177.57 176.84 1k2u h PHE 691 N 0.27 0.92 -0.44 5.19 3.57 -1.73 -0.60 116.94 124.12 1k2u h PHE 691 Ca 0.53 0.03 0.00 0.00 3.53 0.00 0.00 57.97 62.05 1k2u h PHE 691 Cb 1.56 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1k2u h PHE 691 CO -0.00 0.38 0.00 0.72 -2.23 0.00 0.00 178.31 177.18 1k2u n HIS 692 N -4.55 0.59 -3.82 0.41 8.25 -0.56 -4.86 115.22 110.68 1k2u n HIS 692 Ca 0.16 -0.29 -0.36 0.00 -0.26 0.00 0.00 57.72 56.97 1k2u n HIS 692 Cb 0.38 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.38 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 -1.41 3.86 0.34 -0.41 2.00 -0.24 -1.13 119.66 122.67 1k2u s GLN 693 Ca 0.30 -0.38 -0.26 0.00 -2.00 0.00 0.00 55.36 53.02 1k2u s GLN 693 Cb 0.16 -3.36 -0.09 0.00 0.80 0.00 0.00 33.01 30.51 1k2u s GLN 693 CO 0.21 0.01 1.03 -1.21 -0.50 0.00 0.00 175.29 174.82 1k2u s GLU 694 N 1.12 4.45 0.07 1.67 2.02 -0.93 -5.01 118.70 122.10 1k2u s GLU 694 Ca 0.05 1.54 0.03 0.00 0.02 0.00 0.00 54.97 56.61 1k2u s GLU 694 Cb -0.14 -2.83 -0.03 0.00 0.10 0.00 0.00 34.13 31.22 1k2u s GLU 694 CO 0.04 0.11 -0.09 -1.64 0.02 0.00 0.00 175.26 173.70 1k2u s MET 695 N -2.00 0.72 -0.14 1.61 -1.94 -1.26 -4.68 119.30 111.61 1k2u s MET 695 Ca 0.51 -1.02 -0.00 0.00 -1.71 0.00 0.00 55.69 53.47 1k2u s MET 695 Cb -0.24 -0.41 -0.01 0.00 2.01 0.00 0.00 34.83 36.18 1k2u s MET 695 CO 0.30 0.06 -0.13 -0.51 -0.01 0.00 0.00 175.02 174.73 1k2u s LEU 696 N -2.15 2.67 -0.19 -0.03 1.43 -1.26 -4.94 118.68 114.22 1k2u s LEU 696 Ca -0.00 -0.35 -0.03 0.00 -1.03 0.00 0.00 54.13 52.71 1k2u s LEU 696 Cb -0.05 -1.60 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1k2u s LEU 696 CO -0.01 0.15 -0.06 0.21 0.23 0.00 0.00 176.35 176.87 1k2u s ASN 697 N 0.45 4.35 0.23 2.29 3.04 -1.24 -0.17 114.94 123.89 1k2u s ASN 697 Ca -0.10 -0.32 -0.16 0.00 0.04 0.00 0.00 52.86 52.32 1k2u s ASN 697 Cb -0.16 -1.72 0.01 0.00 -1.54 0.00 0.00 41.25 37.84 1k2u s ASN 697 CO 0.05 0.06 0.54 -0.72 -3.04 0.00 0.00 177.10 173.98 1k2u s TYR 698 N 1.02 0.07 -0.18 0.43 -0.85 -1.26 -4.97 117.35 111.61 1k2u s TYR 698 Ca 0.00 -0.45 -0.07 0.00 -0.52 0.00 0.00 57.07 56.03 1k2u s TYR 698 Cb -0.15 0.36 -0.04 0.00 0.38 0.00 0.00 41.96 42.51 1k2u s TYR 698 CO 0.00 -1.00 0.07 1.03 -1.52 0.00 0.00 175.55 174.12 1k2u s ARG 699 N -3.94 3.96 0.03 -3.49 0.52 -1.26 -4.86 118.95 109.91 1k2u s ARG 699 Ca 0.15 -0.33 0.05 0.00 -0.52 0.00 0.00 55.73 55.08 1k2u s ARG 699 Cb -0.02 -3.21 -0.02 0.00 0.52 0.00 0.00 34.95 32.22 1k2u s ARG 699 CO 0.04 0.30 -0.14 -0.51 0.02 0.00 0.00 175.30 175.00 1k2u s LEU 700 N 0.30 2.15 0.15 2.53 1.43 -1.26 -3.62 118.68 120.36 1k2u s LEU 700 Ca 0.04 -0.43 0.07 0.00 -1.03 0.00 0.00 54.13 52.78 1k2u s LEU 700 Cb -0.12 -0.65 -0.04 0.00 0.03 0.00 0.00 46.19 45.41 1k2u s LEU 700 CO 0.00 0.06 -0.02 0.42 0.23 0.00 0.00 176.35 177.04 1k2u s THR 701 N -0.76 3.68 0.94 5.49 -4.23 -1.26 -4.29 115.64 115.21 1k2u s THR 701 Ca 0.03 -1.35 -0.11 0.00 -1.18 0.00 0.00 61.69 59.07 1k2u s THR 701 Cb -0.07 -2.82 0.09 0.00 1.34 0.00 0.00 72.50 71.04 1k2u s THR 701 CO 0.01 -0.04 0.75 -2.65 -0.54 0.00 0.00 174.62 172.15 1k2u n PRO 702 N 0.11 -0.39 -3.45 3.99 -0.02 -1.26 -5.02 135.00 128.97 1k2u n PRO 702 Ca -0.10 -0.06 -0.12 0.00 -2.02 0.00 0.00 63.50 61.20 1k2u n PRO 702 Cb 0.54 -2.10 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 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 -2.31 -0.54 -0.17 2.55 1.04 -0.73 -4.09 113.70 109.46 1k2u s SER 703 Ca 0.62 -0.04 -0.07 0.00 0.48 0.00 0.00 55.95 56.94 1k2u s SER 703 Cb -0.22 0.60 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 1k2u s SER 703 CO 0.63 -0.99 0.05 -0.36 0.98 0.00 0.00 173.24 173.56 1k2u s PHE 704 N -3.76 3.25 0.34 5.02 0.40 -1.26 -0.11 117.98 121.87 1k2u s PHE 704 Ca 0.02 0.09 0.03 0.00 -0.60 0.00 0.00 56.93 56.47 1k2u s PHE 704 Cb -0.01 -2.03 -0.05 0.00 0.51 0.00 0.00 43.02 41.44 1k2u s PHE 704 CO -0.12 0.21 0.09 -1.21 0.70 0.00 0.00 175.22 174.90 1k2u s GLU 705 N 0.15 1.71 0.37 0.44 0.41 0.84 -4.92 118.70 117.70 1k2u s GLU 705 Ca 0.04 -1.99 0.01 0.00 -0.41 0.00 0.00 54.97 52.62 1k2u s GLU 705 Cb -0.12 -0.66 -0.02 0.00 -1.78 0.00 0.00 34.13 31.55 1k2u s GLU 705 CO 0.01 -0.32 0.58 0.71 -0.49 0.00 0.00 175.26 175.74 1k2u s TYR 706 N -3.35 3.40 0.02 1.61 1.51 -1.26 -0.56 117.35 118.73 1k2u s TYR 706 Ca 0.32 0.28 -0.06 0.00 -1.01 0.00 0.00 57.07 56.60 1k2u s TYR 706 Cb 0.06 -2.01 -0.01 0.00 -0.11 0.00 0.00 41.96 39.90 1k2u s TYR 706 CO 0.15 -0.01 0.10 1.14 -1.11 0.00 0.00 175.55 175.81 1k2u s GLN 707 N -4.37 0.50 0.61 -0.62 -2.07 -1.26 -4.75 119.66 107.70 1k2u s GLN 707 Ca 0.42 -0.56 -0.18 0.00 -1.82 0.00 0.00 55.36 53.23 1k2u s GLN 707 Cb -0.10 0.20 -0.06 0.00 -1.09 0.00 0.00 33.01 31.96 1k2u s GLN 707 CO 0.36 -0.12 0.72 -2.30 -1.32 0.00 0.00 175.29 172.63 1k2u n PRO 708 N 1.21 0.62 -1.87 9.60 -0.02 -1.26 -4.84 135.00 138.45 1k2u n PRO 708 Ca -0.22 0.25 -0.41 0.00 -2.02 0.00 0.00 63.50 61.10 1k2u n PRO 708 Cb 0.56 -1.93 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 1k2u n PRO 708 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1k2u s ASP 709 N -1.28 6.48 0.53 2.55 1.01 -1.26 -4.87 116.67 119.83 1k2u s ASP 709 Ca 0.72 2.84 0.25 0.00 0.71 0.00 0.00 52.55 57.06 1k2u s ASP 709 Cb -0.41 -2.63 1.38 0.00 1.01 0.00 0.00 42.92 42.27 1k2u s ASP 709 CO 0.51 -0.84 2.00 1.55 0.21 0.00 0.00 175.17 178.61 1k2u h PRO 710 N 4.99 0.01 0.00 8.23 0.13 -1.91 -1.21 132.00 142.23 1k2u h PRO 710 Ca -0.46 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1k2u h PRO 710 Cb 1.22 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1k2u h PRO 710 CO 0.79 0.01 0.00 -2.67 -0.23 0.00 0.00 178.00 175.90 1k2u n TRP 711 N -4.39 0.06 0.83 1.56 2.14 -1.26 -0.94 117.44 115.44 1k2u n TRP 711 Ca 0.09 0.02 0.12 0.00 2.07 0.00 0.00 57.50 59.80 1k2u n TRP 711 Cb 0.58 -0.53 0.20 0.00 -0.81 0.00 0.00 31.31 30.74 1k2u n TRP 711 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1k2u n ASN 712 N -1.55 2.93 0.00 -0.67 5.03 -0.46 -4.54 115.26 116.01 1k2u n ASN 712 Ca 0.05 -1.93 0.00 0.00 0.87 0.00 0.00 54.58 53.57 1k2u n ASN 712 Cb 0.26 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 38.92 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 1.22 0.00 -1.60 3.41 -2.24 -1.09 -5.03 114.28 108.96 1k2u n THR 713 Ca 0.16 0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.43 1k2u n THR 713 Cb 0.56 -0.17 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 1k2u n THR 713 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1k2u n HIS 714 N -1.14 1.60 -3.16 4.78 -0.00 -0.11 -4.93 115.22 112.27 1k2u n HIS 714 Ca 0.00 0.59 -0.44 0.00 -0.00 0.00 0.00 57.72 57.87 1k2u n HIS 714 Cb 0.11 -2.36 -0.06 0.00 -0.00 0.00 0.00 29.99 27.68 1k2u n HIS 714 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1k2u s VAL 715 N 0.52 4.88 0.58 3.57 1.01 -1.26 -5.01 120.40 124.69 1k2u s VAL 715 Ca 0.83 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.92 1k2u s VAL 715 Cb -0.92 -4.35 -0.04 0.00 0.00 0.00 0.00 36.38 31.07 1k2u s VAL 715 CO 0.46 -0.90 1.19 0.26 0.00 0.00 0.00 175.10 176.11 1k2u s TRP 716 N 2.58 2.44 -2.30 5.22 0.52 -1.26 -4.91 118.94 121.24 1k2u s TRP 716 Ca 0.13 1.52 0.18 0.00 0.02 0.00 0.00 56.10 57.96 1k2u s TRP 716 Cb -0.21 -3.44 0.15 0.00 -1.15 0.00 0.00 33.47 28.81 1k2u s TRP 716 CO 0.10 -2.09 1.08 1.63 0.02 0.00 0.00 176.95 177.69