#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k2s s PHE 300 N 0.00 -0.03 -0.04 -0.14 0.40 -1.26 -4.73 117.98 112.18 1k2s s PHE 300 Ca 0.00 0.10 0.04 0.00 -0.60 0.00 0.00 56.93 56.47 1k2s s PHE 300 Cb 0.00 -0.04 -0.00 0.00 0.51 0.00 0.00 43.02 43.49 1k2s s PHE 300 CO 0.00 -0.04 -0.16 -0.51 0.70 0.00 0.00 175.22 175.21 1k2s s LEU 301 N 0.26 1.90 -0.16 -0.37 1.43 -0.94 -4.95 118.68 115.85 1k2s s LEU 301 Ca -0.02 -0.33 -0.07 0.00 -1.03 0.00 0.00 54.13 52.68 1k2s s LEU 301 Cb -0.03 -0.92 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 1k2s s LEU 301 CO -0.01 0.14 0.09 -0.54 0.23 0.00 0.00 176.35 176.26 1k2s s LYS 302 N 0.05 3.75 -0.11 1.70 -0.14 -1.26 -0.15 119.74 123.58 1k2s s LYS 302 Ca -0.03 -0.27 0.03 0.00 -1.36 0.00 0.00 55.97 54.34 1k2s s LYS 302 Cb -0.11 -3.19 0.00 0.00 -1.68 0.00 0.00 37.83 32.85 1k2s s LYS 302 CO 0.02 0.46 -0.23 0.08 -0.76 0.00 0.00 175.35 174.92 1k2s s VAL 303 N -0.15 2.11 0.04 3.17 1.01 0.17 -4.96 120.40 121.78 1k2s s VAL 303 Ca 0.08 -0.99 0.06 0.00 0.00 0.00 0.00 61.98 61.13 1k2s s VAL 303 Cb -0.12 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1k2s s VAL 303 CO 0.01 0.56 -0.15 -0.75 0.00 0.00 0.00 175.10 174.76 1k2s s LYS 304 N 0.44 2.17 -0.25 2.72 2.20 -1.26 -0.44 119.74 125.32 1k2s s LYS 304 Ca -0.16 -0.93 -0.05 0.00 -0.36 0.00 0.00 55.97 54.46 1k2s s LYS 304 Cb -0.17 -2.25 -0.01 0.00 -1.51 0.00 0.00 37.83 33.89 1k2s s LYS 304 CO 0.07 0.55 0.02 1.21 -0.36 0.00 0.00 175.35 176.83 1k2s s ASN 305 N -1.47 4.74 0.00 1.43 3.84 -0.13 -1.92 114.94 121.43 1k2s s ASN 305 Ca 0.15 -0.48 0.12 0.00 0.21 0.00 0.00 52.86 52.86 1k2s s ASN 305 Cb -0.11 -1.82 0.68 0.00 -0.55 0.00 0.00 41.25 39.46 1k2s s ASN 305 CO 0.06 -0.08 1.44 0.79 -2.79 0.00 0.00 177.10 176.52 1k2s n TRP 306 N 4.84 0.02 0.08 0.43 7.02 -0.18 -0.16 117.44 129.49 1k2s n TRP 306 Ca -0.16 -0.01 0.07 0.00 -1.02 0.00 0.00 57.50 56.38 1k2s n TRP 306 Cb 0.50 0.00 -0.10 0.00 -2.42 0.00 0.00 31.31 29.29 1k2s n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1k2s n GLU 307 N -0.62 0.72 0.00 -0.99 2.13 -1.26 -4.63 120.64 115.99 1k2s n GLU 307 Ca 0.09 -0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1k2s n GLU 307 Cb 0.05 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 30.47 1k2s n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1k2s n THR 308 N -1.88 0.00 -1.00 6.31 -2.24 -1.19 -5.01 114.28 109.26 1k2s n THR 308 Ca -0.02 -0.27 -0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1k2s n THR 308 Cb 0.34 0.96 -0.00 0.00 -2.10 0.00 0.00 70.33 69.52 1k2s n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k2s n ASP 309 N -0.58 -4.48 -4.76 3.42 8.00 0.78 -4.98 116.55 113.95 1k2s n ASP 309 Ca 0.00 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.10 1k2s n ASP 309 Cb 0.00 -1.99 -0.03 0.00 -0.02 0.00 0.00 41.12 39.08 1k2s n ASP 309 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1k2s s VAL 310 N -1.52 3.06 -0.07 2.53 1.01 -1.22 -4.75 120.40 119.44 1k2s s VAL 310 Ca 0.00 1.01 0.03 0.00 0.00 0.00 0.00 61.98 63.03 1k2s s VAL 310 Cb 0.00 -3.65 0.01 0.00 0.00 0.00 0.00 36.38 32.74 1k2s s VAL 310 CO 0.00 0.22 -0.17 -0.69 0.00 0.00 0.00 175.10 174.46 1k2s s VAL 311 N -0.83 1.46 0.15 2.92 1.01 -1.26 -0.95 120.40 122.91 1k2s s VAL 311 Ca 0.50 -0.69 0.11 0.00 0.00 0.00 0.00 61.98 61.90 1k2s s VAL 311 Cb -0.37 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1k2s s VAL 311 CO 0.46 0.43 -0.24 -0.76 0.00 0.00 0.00 175.10 174.99 1k2s s LEU 312 N 0.43 2.45 -0.18 3.92 1.43 0.41 -4.94 118.68 122.21 1k2s s LEU 312 Ca -0.13 -0.75 -0.03 0.00 -1.03 0.00 0.00 54.13 52.18 1k2s s LEU 312 Cb -0.15 -1.28 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 1k2s s LEU 312 CO 0.05 0.16 -0.05 -0.89 0.23 0.00 0.00 176.35 175.85 1k2s s THR 313 N -1.31 3.62 -0.20 5.49 2.01 -1.26 -0.66 115.64 123.33 1k2s s THR 313 Ca 0.17 -0.44 -0.10 0.00 0.31 0.00 0.00 61.69 61.63 1k2s s THR 313 Cb -0.09 -2.60 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 1k2s s THR 313 CO 0.08 0.46 0.15 -0.62 -0.69 0.00 0.00 174.62 174.01 1k2s s ASP 314 N 0.82 6.23 0.00 3.53 -1.08 0.78 -4.57 116.67 122.37 1k2s s ASP 314 Ca -0.01 0.25 0.00 0.00 -0.52 0.00 0.00 52.55 52.27 1k2s s ASP 314 Cb -0.15 -2.10 0.00 0.00 -1.46 0.00 0.00 42.92 39.21 1k2s s ASP 314 CO 0.02 0.16 0.00 0.35 0.52 0.00 0.00 175.17 176.22 1k2s n THR 315 N 3.60 0.00 0.17 1.71 -2.24 0.20 -2.23 114.28 115.49 1k2s n THR 315 Ca -0.15 -0.25 0.03 0.00 -2.27 0.00 0.00 64.05 61.40 1k2s n THR 315 Cb 0.52 0.93 0.28 0.00 -2.10 0.00 0.00 70.33 69.96 1k2s n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1k2s h LEU 316 N 0.00 0.00 -1.66 3.22 6.46 -0.98 -2.96 115.31 119.39 1k2s h LEU 316 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1k2s h LEU 316 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 1k2s h LEU 316 CO 0.00 0.47 0.00 1.12 -0.62 0.00 0.00 178.44 179.41 1k2s h HIS 317 N 0.00 0.00 -0.06 1.25 2.07 -1.85 -1.29 115.15 115.27 1k2s h HIS 317 Ca -0.00 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.47 1k2s h HIS 317 Cb 0.95 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.92 1k2s h HIS 317 CO 0.00 0.00 -0.17 -0.07 -3.07 0.00 0.00 177.93 174.62 1k2s h LEU 318 N 0.00 0.09 -1.07 6.12 3.38 -1.88 -0.84 115.31 121.11 1k2s h LEU 318 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1k2s h LEU 318 Cb 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1k2s h LEU 318 CO 0.00 0.28 0.00 0.29 0.09 0.00 0.00 178.44 179.10 1k2s n LYS 319 N -4.29 1.69 -2.11 1.13 5.02 -0.49 -4.89 118.16 114.23 1k2s n LYS 319 Ca -0.02 -0.98 -0.41 0.00 -2.02 0.00 0.00 58.31 54.88 1k2s n LYS 319 Cb 0.26 -1.26 -0.02 0.00 -0.02 0.00 0.00 35.03 33.99 1k2s n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1k2s s SER 320 N -0.94 6.77 0.00 4.39 0.15 -0.32 -4.92 113.70 118.83 1k2s s SER 320 Ca 0.18 2.59 0.00 0.00 0.70 0.00 0.00 55.95 59.43 1k2s s SER 320 Cb 0.10 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 1k2s s SER 320 CO 0.12 -0.59 0.00 0.41 1.20 0.00 0.00 173.24 174.37 1k2s n THR 321 N 1.93 0.00 -0.44 6.45 -1.04 -1.18 -5.04 114.28 114.95 1k2s n THR 321 Ca 0.04 0.15 -0.28 0.00 -2.04 0.00 0.00 64.05 61.92 1k2s n THR 321 Cb 0.41 -1.05 0.27 0.00 -1.82 0.00 0.00 70.33 68.15 1k2s n THR 321 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1k2s n LEU 322 N -1.88 -1.81 -4.91 -4.42 4.77 -1.26 -5.03 117.00 102.46 1k2s n LEU 322 Ca 0.00 -0.29 -0.27 0.00 -0.03 0.00 0.00 56.01 55.42 1k2s n LEU 322 Cb 0.00 -1.20 0.01 0.00 -2.33 0.00 0.00 43.42 39.90 1k2s n LEU 322 CO 0.00 -3.52 0.50 -1.61 -1.33 0.00 0.00 177.39 171.43 1k2s s GLU 323 N -4.39 3.32 -0.21 3.23 2.02 -1.26 -4.70 118.70 116.71 1k2s s GLU 323 Ca 0.68 0.17 0.13 0.00 0.02 0.00 0.00 54.97 55.97 1k2s s GLU 323 Cb -0.24 -2.31 -0.22 0.00 0.10 0.00 0.00 34.13 31.46 1k2s s GLU 323 CO 0.65 -0.42 -0.01 0.25 0.02 0.00 0.00 175.26 175.75 1k2s n THR 324 N -2.42 1.38 0.00 3.63 -2.24 -1.26 -4.89 114.28 108.48 1k2s n THR 324 Ca 0.02 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1k2s n THR 324 Cb 0.56 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.08 1k2s n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k2s n GLY 325 N 1.92 0.96 3.92 3.38 0.00 -1.26 -4.83 105.19 109.27 1k2s n GLY 325 Ca -0.35 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.36 1k2s n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2s n THR 327 N 0.15 0.00 0.37 0.00 -2.24 -0.50 -4.99 114.28 107.07 1k2s n THR 327 Ca -0.04 -1.51 0.13 0.00 -2.27 0.00 0.00 64.05 60.35 1k2s n THR 327 Cb 0.51 0.38 0.29 0.00 -2.10 0.00 0.00 70.33 69.42 1k2s n THR 327 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1k2s h GLU 328 N 0.00 0.00 0.00 -0.78 3.07 -2.05 -3.25 114.58 111.57 1k2s h GLU 328 Ca -0.24 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 1k2s h GLU 328 Cb 0.79 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.70 1k2s h GLU 328 CO 0.40 0.00 -1.16 0.72 -1.40 0.00 0.00 179.01 177.57 1k2s n HIS 329 N -2.77 0.37 -3.74 4.33 8.25 -1.26 -4.96 115.22 115.44 1k2s n HIS 329 Ca 0.04 0.11 -0.13 0.00 -0.26 0.00 0.00 57.72 57.48 1k2s n HIS 329 Cb 0.47 -0.55 -0.09 0.00 1.12 0.00 0.00 29.99 30.94 1k2s n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1k2s s ILE 330 N -3.28 0.02 -0.17 1.59 2.07 -1.23 -5.14 121.20 115.07 1k2s s ILE 330 Ca 0.01 -0.17 -0.02 0.00 -1.41 0.00 0.00 60.65 59.06 1k2s s ILE 330 Cb 0.13 -0.58 -0.01 0.00 0.13 0.00 0.00 42.46 42.13 1k2s s ILE 330 CO 0.81 -0.10 -0.09 0.00 -1.91 0.00 0.00 174.94 173.66 1k2s n MET 332 N 4.01 2.16 -0.29 0.00 2.81 -1.26 -4.79 117.12 119.76 1k2s n MET 332 Ca -0.18 -2.98 0.26 0.00 -1.81 0.00 0.00 57.70 52.99 1k2s n MET 332 Cb 0.52 -1.78 0.60 0.00 -0.71 0.00 0.00 33.22 31.86 1k2s n MET 332 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 1k2s h GLY 333 N 1.17 0.68 -2.72 3.03 0.00 -1.94 -0.17 103.07 103.11 1k2s h GLY 333 Ca 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 47.33 47.27 1k2s h GLY 333 CO 0.26 -0.07 0.05 -1.14 0.00 0.00 0.00 176.54 175.64 1k2s n SER 334 N -4.44 3.99 -4.76 0.19 3.41 -1.26 -4.87 113.62 105.87 1k2s n SER 334 Ca 0.24 -2.65 -0.36 0.00 -0.26 0.00 0.00 58.87 55.84 1k2s n SER 334 Cb 0.96 -0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 64.21 1k2s n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1k2s s ILE 335 N -2.13 5.40 0.18 -1.33 -1.09 -0.08 -5.01 121.20 117.14 1k2s s ILE 335 Ca 0.35 0.26 -0.14 0.00 -2.23 0.00 0.00 60.65 58.89 1k2s s ILE 335 Cb 0.27 -3.49 0.09 0.00 -1.58 0.00 0.00 42.46 37.75 1k2s s ILE 335 CO 0.10 0.46 1.71 -0.03 -1.23 0.00 0.00 174.94 175.95 1k2s h MET 336 N 6.36 0.18 -1.33 2.79 4.05 -1.90 -3.40 114.93 121.68 1k2s h MET 336 Ca -0.43 -0.01 -0.17 0.00 -0.28 0.00 0.00 59.70 58.80 1k2s h MET 336 Cb 1.17 -0.04 -0.23 0.00 -0.80 0.00 0.00 31.60 31.69 1k2s h MET 336 CO 0.73 0.12 -0.54 -0.48 0.23 0.00 0.00 176.91 176.97 1k2s s LEU 337 N -10.47 -1.01 0.60 3.39 0.05 -1.26 -5.17 118.68 104.81 1k2s s LEU 337 Ca -0.13 -1.10 0.39 0.00 0.05 0.00 0.00 54.13 53.34 1k2s s LEU 337 Cb 0.15 1.47 1.94 0.00 -2.05 0.00 0.00 46.19 47.69 1k2s s LEU 337 CO 0.72 -0.20 2.18 -0.65 -0.55 0.00 0.00 176.35 177.85 1k2s h PRO 338 N 6.96 0.00 -5.76 1.48 0.11 -1.88 -3.54 132.00 129.37 1k2s h PRO 338 Ca 0.05 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.93 1k2s h PRO 338 Cb 1.13 0.00 0.08 0.00 0.11 0.00 0.00 31.00 32.32 1k2s h PRO 338 CO 0.13 0.00 -0.60 0.28 -0.21 0.00 0.00 178.00 177.60 1k2s n VAL 348 N -3.02 -8.10 -3.77 3.15 0.31 -1.26 -5.07 118.33 100.57 1k2s n VAL 348 Ca -0.01 -0.71 -0.32 0.00 -0.01 0.00 0.00 64.34 63.28 1k2s n VAL 348 Cb 0.16 -5.75 -0.04 0.00 -0.91 0.00 0.00 33.84 27.30 1k2s n VAL 348 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1k2s s ARG 349 N -4.34 3.55 0.76 5.55 0.52 -1.26 -5.09 118.95 118.63 1k2s s ARG 349 Ca 0.25 -0.21 -0.11 0.00 -0.52 0.00 0.00 55.73 55.13 1k2s s ARG 349 Cb -0.06 -2.94 0.05 0.00 0.52 0.00 0.00 34.95 32.51 1k2s s ARG 349 CO 0.79 0.54 1.09 0.99 0.02 0.00 0.00 175.30 178.73 1k2s s THR 350 N -1.56 3.31 0.20 0.02 2.01 -1.26 -4.96 115.64 113.40 1k2s s THR 350 Ca 0.37 0.42 0.14 0.00 0.31 0.00 0.00 61.69 62.93 1k2s s THR 350 Cb -0.13 -3.23 0.03 0.00 0.01 0.00 0.00 72.50 69.19 1k2s s THR 350 CO 0.25 -0.55 1.64 0.07 -0.69 0.00 0.00 174.62 175.33 1k2s h LYS 351 N -0.94 0.00 0.00 4.92 2.10 -1.97 -2.73 116.57 117.95 1k2s h LYS 351 Ca -0.46 0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.13 1k2s h LYS 351 Cb 1.26 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 1k2s h LYS 351 CO 0.60 0.53 -0.29 0.38 -2.00 0.00 0.00 179.45 178.68 1k2s h ASP 352 N 0.00 0.00 0.16 7.07 2.03 -1.98 -3.11 116.42 120.58 1k2s h ASP 352 Ca -0.01 0.00 -0.28 0.00 -0.73 0.00 0.00 57.03 56.01 1k2s h ASP 352 Cb 1.06 0.00 0.03 0.00 -0.83 0.00 0.00 39.33 39.59 1k2s h ASP 352 CO 0.07 0.29 -1.20 1.56 -1.03 0.00 0.00 179.24 178.93 1k2s h GLN 353 N 0.00 0.53 -0.05 4.15 4.20 -1.95 -3.39 115.11 118.61 1k2s h GLN 353 Ca -0.00 -0.78 0.02 0.00 0.06 0.00 0.00 58.65 57.94 1k2s h GLN 353 Cb 1.07 0.27 -0.02 0.00 0.30 0.00 0.00 27.48 29.10 1k2s h GLN 353 CO 0.04 1.36 -0.07 1.25 -0.67 0.00 0.00 178.83 180.74 1k2s h LEU 354 N 0.09 -0.20 -0.01 1.46 5.85 -1.41 -3.32 115.31 117.78 1k2s h LEU 354 Ca -0.19 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1k2s h LEU 354 Cb 1.91 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.99 1k2s h LEU 354 CO 0.23 -0.09 -0.26 0.15 -0.34 0.00 0.00 178.44 178.13 1k2s h PHE 355 N -0.09 -0.69 -0.66 1.25 3.57 -1.75 -0.27 116.94 118.30 1k2s h PHE 355 Ca 0.04 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.70 1k2s h PHE 355 Cb 0.15 0.31 -0.10 0.00 2.79 0.00 0.00 35.95 39.10 1k2s h PHE 355 CO -0.16 -0.35 0.08 -1.00 -2.23 0.00 0.00 178.31 174.65 1k2s h PRO 356 N -0.40 0.18 -0.03 6.41 0.13 -1.79 0.68 132.00 137.18 1k2s h PRO 356 Ca 0.06 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.21 1k2s h PRO 356 Cb 0.48 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 31.53 1k2s h PRO 356 CO -0.23 0.12 -0.16 -0.07 -0.23 0.00 0.00 178.00 177.43 1k2s h LEU 357 N 0.19 -0.48 -0.23 1.56 3.38 -1.52 0.63 115.31 118.82 1k2s h LEU 357 Ca 0.35 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.42 1k2s h LEU 357 Cb 0.58 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 1k2s h LEU 357 CO -0.50 -0.22 0.09 0.00 0.09 0.00 0.00 178.44 177.89 1k2s h ALA 358 N 0.71 0.27 -0.28 1.53 0.00 0.49 -0.02 119.26 121.95 1k2s h ALA 358 Ca 0.06 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1k2s h ALA 358 Cb 0.34 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.07 1k2s h ALA 358 CO -0.18 -0.32 -0.09 -0.22 0.00 0.00 0.00 179.25 178.43 1k2s h LYS 359 N 0.20 -0.03 -0.25 0.00 3.64 0.11 0.86 116.57 121.11 1k2s h LYS 359 Ca 0.10 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1k2s h LYS 359 Cb 0.06 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.81 1k2s h LYS 359 CO -0.10 -0.02 -0.33 1.49 -2.27 0.00 0.00 179.45 178.22 1k2s h GLU 360 N -0.03 -0.33 0.43 1.90 4.81 0.82 0.63 114.58 122.82 1k2s h GLU 360 Ca 0.14 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.39 1k2s h GLU 360 Cb 0.24 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 1k2s h GLU 360 CO -0.31 -0.22 -0.40 0.35 -0.73 0.00 0.00 179.01 177.70 1k2s h PHE 361 N -0.34 -1.09 -0.76 0.92 3.57 -0.26 -2.10 116.94 116.88 1k2s h PHE 361 Ca 0.13 0.01 0.12 0.00 3.53 0.00 0.00 57.97 61.75 1k2s h PHE 361 Cb 0.54 0.42 -0.05 0.00 2.79 0.00 0.00 35.95 39.66 1k2s h PHE 361 CO -0.47 -0.56 0.50 -0.07 -2.23 0.00 0.00 178.31 175.48 1k2s h LEU 362 N -0.84 0.52 -0.27 0.59 3.38 -0.55 0.11 115.31 118.25 1k2s h LEU 362 Ca -0.04 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1k2s h LEU 362 Cb 0.74 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1k2s h LEU 362 CO -0.05 0.30 0.07 0.44 0.09 0.00 0.00 178.44 179.29 1k2s h ASP 363 N 0.57 0.40 0.32 -0.43 3.32 -0.57 -1.69 116.42 118.34 1k2s h ASP 363 Ca 0.36 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1k2s h ASP 363 Cb 0.61 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 1k2s h ASP 363 CO -0.13 0.51 -0.25 1.56 -1.72 0.00 0.00 179.24 179.21 1k2s h GLN 364 N 0.26 -0.54 -0.99 3.56 4.20 -0.31 0.12 115.11 121.42 1k2s h GLN 364 Ca 0.08 0.04 0.14 0.00 0.06 0.00 0.00 58.65 58.97 1k2s h GLN 364 Cb 0.26 0.12 -0.15 0.00 0.30 0.00 0.00 27.48 28.01 1k2s h GLN 364 CO -0.00 -0.36 -0.42 0.98 -0.67 0.00 0.00 178.83 178.37 1k2s n TYR 365 N -3.88 -0.04 -0.18 2.96 9.36 0.18 -0.37 117.16 125.19 1k2s n TYR 365 Ca -0.07 1.22 -0.07 0.00 3.32 0.00 0.00 57.90 62.30 1k2s n TYR 365 Cb 0.24 -0.82 0.08 0.00 -0.63 0.00 0.00 39.34 38.21 1k2s n TYR 365 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1k2s h TYR 366 N 0.00 1.05 0.00 2.98 -1.99 -1.19 -2.10 116.97 115.73 1k2s h TYR 366 Ca 0.32 -0.17 -0.02 0.00 2.00 0.00 0.00 58.73 60.86 1k2s h TYR 366 Cb 0.56 -0.28 -0.00 0.00 2.00 0.00 0.00 36.73 39.01 1k2s h TYR 366 CO -0.89 0.94 -0.09 1.03 -0.00 0.00 0.00 178.16 179.14 1k2s h SER 367 N 0.90 0.00 1.14 3.88 0.87 0.21 -0.97 113.55 119.58 1k2s h SER 367 Ca 0.16 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.59 1k2s h SER 367 Cb 0.52 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.46 1k2s h SER 367 CO 0.03 0.09 -0.64 0.77 -0.53 0.00 0.00 176.83 176.54 1k2s h SER 368 N 0.00 0.00 -0.26 6.23 4.64 -0.31 -3.08 113.55 120.77 1k2s h SER 368 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1k2s h SER 368 Cb 0.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.28 1k2s h SER 368 CO 0.01 0.64 0.00 2.30 -0.87 0.00 0.00 176.83 178.91 1k2s n ILE 369 N -3.37 0.33 -2.89 0.95 -5.35 -0.91 -4.95 119.36 103.17 1k2s n ILE 369 Ca 0.01 -0.54 -0.11 0.00 -0.27 0.00 0.00 62.75 61.83 1k2s n ILE 369 Cb 0.75 0.72 0.05 0.00 -1.74 0.00 0.00 39.64 39.42 1k2s n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1k2s n LYS 370 N 0.93 -1.75 -1.19 6.28 5.02 -0.92 -4.96 118.16 121.57 1k2s n LYS 370 Ca 0.17 0.74 -0.02 0.00 -2.02 0.00 0.00 58.31 57.18 1k2s n LYS 370 Cb 0.47 -4.97 -0.03 0.00 -0.02 0.00 0.00 35.03 30.48 1k2s n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1k2s n ARG 371 N -2.79 0.00 -2.12 1.97 5.12 -0.42 -5.04 116.66 113.39 1k2s n ARG 371 Ca -0.05 -1.38 -0.42 0.00 -1.93 0.00 0.00 57.85 54.06 1k2s n ARG 371 Cb 0.59 0.28 -0.03 0.00 -1.16 0.00 0.00 32.46 32.14 1k2s n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1k2s s PHE 372 N 0.00 3.15 0.00 -1.55 5.36 -1.22 -2.71 117.98 121.01 1k2s s PHE 372 Ca 0.14 0.86 0.00 0.00 -0.96 0.00 0.00 56.93 56.96 1k2s s PHE 372 Cb 0.16 -3.74 0.00 0.00 -0.34 0.00 0.00 43.02 39.10 1k2s s PHE 372 CO -0.07 -2.65 0.00 0.41 -1.46 0.00 0.00 175.22 171.45 1k2s n GLY 373 N 3.57 2.73 3.30 13.12 0.00 -1.26 -5.02 105.19 121.63 1k2s n GLY 373 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1k2s n GLY 373 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2s n SER 374 N 0.00 -2.80 -0.08 1.61 3.41 -1.10 -4.64 113.62 110.01 1k2s n SER 374 Ca 0.00 -0.42 -0.12 0.00 -0.26 0.00 0.00 58.87 58.08 1k2s n SER 374 Cb 0.00 -1.07 -0.05 0.00 -0.26 0.00 0.00 64.21 62.84 1k2s n SER 374 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1k2s h LYS 375 N -2.90 0.49 -0.60 4.33 3.64 -1.96 -1.34 116.57 118.23 1k2s h LYS 375 Ca -0.51 -0.19 0.12 0.00 -1.27 0.00 0.00 60.65 58.80 1k2s h LYS 375 Cb 1.28 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.98 1k2s h LYS 375 CO 0.37 0.72 -0.01 0.00 -2.27 0.00 0.00 179.45 178.26 1k2s h ALA 376 N 0.75 0.57 0.27 5.00 0.00 -1.92 0.33 119.26 124.27 1k2s h ALA 376 Ca 0.06 0.19 0.01 0.00 0.00 0.00 0.00 54.91 55.16 1k2s h ALA 376 Cb 0.55 0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1k2s h ALA 376 CO 0.03 -0.39 -0.44 1.25 0.00 0.00 0.00 179.25 179.69 1k2s h HIS 377 N 0.11 -1.23 -0.43 0.00 -0.00 -1.70 -2.57 115.15 109.33 1k2s h HIS 377 Ca 0.31 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.70 1k2s h HIS 377 Cb 0.49 0.50 -0.02 0.00 -0.00 0.00 0.00 27.41 28.39 1k2s h HIS 377 CO -0.36 -0.56 0.25 0.52 -0.00 0.00 0.00 177.93 177.77 1k2s h MET 378 N -0.78 0.59 -0.27 5.26 2.07 -0.07 -2.00 114.93 119.74 1k2s h MET 378 Ca -0.01 -0.06 0.05 0.00 -2.07 0.00 0.00 59.70 57.61 1k2s h MET 378 Cb 0.74 -0.12 -0.05 0.00 -1.87 0.00 0.00 31.60 30.30 1k2s h MET 378 CO -0.17 0.45 -0.06 -0.44 1.07 0.00 0.00 176.91 177.76 1k2s h ASP 379 N 0.57 -0.24 -0.80 1.22 3.32 -0.34 0.17 116.42 120.32 1k2s h ASP 379 Ca 0.15 0.08 0.02 0.00 0.02 0.00 0.00 57.03 57.31 1k2s h ASP 379 Cb 0.02 0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 1k2s h ASP 379 CO -0.03 -0.09 0.52 -0.09 -1.72 0.00 0.00 179.24 177.83 1k2s h ARG 380 N 0.00 1.00 -0.95 3.56 9.65 -1.35 1.42 114.38 127.71 1k2s h ARG 380 Ca 0.13 -0.06 0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1k2s h ARG 380 Cb 0.19 -0.23 -0.05 0.00 -1.39 0.00 0.00 29.97 28.50 1k2s h ARG 380 CO -0.27 0.66 0.63 1.25 2.80 0.00 0.00 179.97 185.04 1k2s h LEU 381 N 1.03 1.08 -0.03 3.80 5.85 -0.54 0.16 115.31 126.67 1k2s h LEU 381 Ca 0.31 -0.02 -0.22 0.00 0.84 0.00 0.00 57.88 58.78 1k2s h LEU 381 Cb -0.05 -0.27 0.02 0.00 0.37 0.00 0.00 40.66 40.73 1k2s h LEU 381 CO -0.09 0.78 -0.84 -0.08 -0.34 0.00 0.00 178.44 177.87 1k2s h GLU 382 N 1.28 0.62 -0.10 1.25 4.81 0.62 -2.35 114.58 120.71 1k2s h GLU 382 Ca 0.35 -0.63 0.02 0.00 -0.13 0.00 0.00 59.36 58.98 1k2s h GLU 382 Cb -0.12 0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1k2s h GLU 382 CO -0.08 1.24 -0.06 1.49 -0.73 0.00 0.00 179.01 180.87 1k2s h GLU 383 N 0.26 -0.05 -0.05 1.92 4.81 0.24 -0.88 114.58 120.83 1k2s h GLU 383 Ca -0.10 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1k2s h GLU 383 Cb 1.51 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.90 1k2s h GLU 383 CO 0.17 -0.03 0.03 0.28 -0.73 0.00 0.00 179.01 178.72 1k2s h VAL 384 N -0.05 1.07 -0.30 0.32 2.07 -0.76 -0.97 116.25 117.63 1k2s h VAL 384 Ca 0.06 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.43 1k2s h VAL 384 Cb 0.14 1.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 1k2s h VAL 384 CO -0.13 0.06 -0.18 -1.13 0.02 0.00 0.00 177.57 176.21 1k2s h ASN 385 N -0.01 -0.60 -0.51 0.57 -1.24 -1.22 0.42 115.58 112.99 1k2s h ASN 385 Ca 0.02 0.13 0.05 0.00 0.71 0.00 0.00 56.30 57.21 1k2s h ASN 385 Cb 0.08 0.31 -0.05 0.00 0.73 0.00 0.00 38.32 39.39 1k2s h ASN 385 CO -0.00 -0.22 0.25 0.11 -1.29 0.00 0.00 177.43 176.28 1k2s h LYS 386 N -0.15 0.47 -0.16 6.67 1.79 -0.96 -0.76 116.57 123.47 1k2s h LYS 386 Ca 0.16 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1k2s h LYS 386 Cb 0.39 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1k2s h LYS 386 CO -0.39 0.31 0.10 1.49 -1.08 0.00 0.00 179.45 179.88 1k2s h GLU 387 N 0.48 0.20 -0.72 3.15 4.81 -0.16 -1.88 114.58 120.46 1k2s h GLU 387 Ca 0.23 -0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.49 1k2s h GLU 387 Cb 0.16 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.45 1k2s h GLU 387 CO -0.17 0.13 0.44 0.82 -0.73 0.00 0.00 179.01 179.50 1k2s h ILE 388 N 0.20 1.07 -0.94 2.32 2.04 -0.67 0.30 117.51 121.84 1k2s h ILE 388 Ca 0.06 -0.29 0.13 0.00 1.00 0.00 0.00 64.86 65.76 1k2s h ILE 388 Cb -0.02 0.14 -0.08 0.00 -0.74 0.00 0.00 36.82 36.13 1k2s h ILE 388 CO -0.02 0.16 0.60 -0.08 0.00 0.00 0.00 178.15 178.80 1k2s h GLU 389 N 0.85 0.81 0.00 2.37 4.57 -0.43 0.77 114.58 123.53 1k2s h GLU 389 Ca 0.30 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1k2s h GLU 389 Cb 0.06 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1k2s h GLU 389 CO -0.13 0.54 -1.08 -1.13 -1.18 0.00 0.00 179.01 176.03 1k2s n SER 390 N -4.59 0.86 0.00 1.04 3.41 -0.77 -4.60 113.62 108.97 1k2s n SER 390 Ca 0.18 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 1k2s n SER 390 Cb 0.41 1.22 0.00 0.00 -0.26 0.00 0.00 64.21 65.58 1k2s n SER 390 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1k2s n THR 391 N -1.60 0.00 -1.14 6.66 -2.24 0.10 -5.01 114.28 111.05 1k2s n THR 391 Ca 0.01 -0.33 -0.05 0.00 -2.27 0.00 0.00 64.05 61.41 1k2s n THR 391 Cb 0.32 0.95 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 1k2s n THR 391 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1k2s n SER 392 N -0.76 -4.18 -0.68 3.42 7.64 0.27 -4.92 113.62 114.41 1k2s n SER 392 Ca 0.00 0.12 0.00 0.00 1.01 0.00 0.00 58.87 60.00 1k2s n SER 392 Cb 0.00 -2.10 0.00 0.00 -1.01 0.00 0.00 64.21 61.10 1k2s n SER 392 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1k2s n THR 393 N -2.66 0.00 -3.65 0.44 5.66 -1.25 -4.79 114.28 108.03 1k2s n THR 393 Ca -0.05 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.90 1k2s n THR 393 Cb 0.26 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 68.97 1k2s n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1k2s s TYR 394 N -5.94 -0.21 0.15 1.09 -0.85 -1.26 -2.71 117.35 107.62 1k2s s TYR 394 Ca 0.00 0.50 -0.26 0.00 -0.52 0.00 0.00 57.07 56.79 1k2s s TYR 394 Cb 0.00 0.42 -0.08 0.00 0.38 0.00 0.00 41.96 42.69 1k2s s TYR 394 CO 0.00 -0.10 0.82 -0.65 -1.52 0.00 0.00 175.55 174.10 1k2s s GLN 395 N 0.18 4.61 0.09 -3.49 -1.52 -1.26 -5.02 119.66 113.25 1k2s s GLN 395 Ca 0.05 1.22 -0.21 0.00 -1.95 0.00 0.00 55.36 54.47 1k2s s GLN 395 Cb -0.05 -3.29 -0.07 0.00 -0.22 0.00 0.00 33.01 29.38 1k2s s GLN 395 CO -0.12 0.49 0.62 -0.51 -0.25 0.00 0.00 175.29 175.51 1k2s s LEU 396 N -0.87 4.54 0.50 2.90 1.43 -1.26 -5.05 118.68 120.87 1k2s s LEU 396 Ca 0.38 1.35 -0.21 0.00 -1.03 0.00 0.00 54.13 54.61 1k2s s LEU 396 Cb -0.23 -2.99 -0.07 0.00 0.03 0.00 0.00 46.19 42.94 1k2s s LEU 396 CO 0.27 0.26 1.15 -0.54 0.23 0.00 0.00 176.35 177.72 1k2s s LYS 397 N -1.09 3.58 0.27 1.70 1.02 -1.26 -4.76 119.74 119.20 1k2s s LYS 397 Ca 0.31 1.71 -0.06 0.00 0.02 0.00 0.00 55.97 57.94 1k2s s LYS 397 Cb -0.20 -2.24 0.49 0.00 -0.52 0.00 0.00 37.83 35.36 1k2s s LYS 397 CO 0.21 -0.68 1.59 -0.44 -0.92 0.00 0.00 175.35 175.11 1k2s h ASP 398 N 1.69 -0.61 -0.55 2.83 5.19 -2.00 0.19 116.42 123.17 1k2s h ASP 398 Ca -0.50 0.25 0.03 0.00 -0.62 0.00 0.00 57.03 56.19 1k2s h ASP 398 Cb 1.25 0.48 -0.03 0.00 0.18 0.00 0.00 39.33 41.21 1k2s h ASP 398 CO 0.59 -0.28 0.36 0.71 -3.12 0.00 0.00 179.24 177.51 1k2s h THR 399 N 0.03 1.08 -0.07 0.35 1.35 -2.00 -2.23 112.91 111.43 1k2s h THR 399 Ca 0.46 -0.23 -0.23 0.00 -0.55 0.00 0.00 66.41 65.87 1k2s h THR 399 Cb 0.81 0.37 0.02 0.00 -1.73 0.00 0.00 68.15 67.61 1k2s h THR 399 CO -0.84 0.12 -0.86 -0.33 -0.25 0.00 0.00 175.52 173.36 1k2s h GLU 400 N 0.66 0.69 -0.57 4.72 5.08 -1.01 -2.34 114.58 121.81 1k2s h GLU 400 Ca 0.22 -0.66 0.02 0.00 -1.00 0.00 0.00 59.36 57.93 1k2s h GLU 400 Cb 0.05 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1k2s h GLU 400 CO -0.05 1.26 0.36 1.25 -1.00 0.00 0.00 179.01 180.82 1k2s h LEU 401 N 0.37 0.60 -0.66 1.33 5.85 -0.89 0.19 115.31 122.10 1k2s h LEU 401 Ca -0.09 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.60 1k2s h LEU 401 Cb 1.51 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.37 1k2s h LEU 401 CO 0.17 0.43 0.32 0.40 -0.34 0.00 0.00 178.44 179.42 1k2s h ILE 402 N 0.72 1.22 -0.01 4.05 2.04 -1.45 -0.95 117.51 123.14 1k2s h ILE 402 Ca 0.22 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.46 1k2s h ILE 402 Cb -0.03 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 36.46 1k2s h ILE 402 CO -0.07 0.26 0.01 0.22 0.00 0.00 0.00 178.15 178.56 1k2s h TYR 403 N 0.92 0.02 0.14 1.37 3.20 -0.79 -2.04 116.97 119.79 1k2s h TYR 403 Ca 0.23 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.10 1k2s h TYR 403 Cb 0.11 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 1k2s h TYR 403 CO 0.00 0.07 -0.10 0.78 -1.64 0.00 0.00 178.16 177.27 1k2s h GLY 404 N -0.03 -0.24 0.46 1.82 0.00 -0.47 -0.99 103.07 103.62 1k2s h GLY 404 Ca 0.01 0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.48 1k2s h GLY 404 CO -0.00 -0.11 -0.23 0.00 0.00 0.00 0.00 176.54 176.20 1k2s h ALA 405 N 0.60 -0.31 -0.68 3.60 0.00 -1.13 0.62 119.26 121.96 1k2s h ALA 405 Ca -0.01 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1k2s h ALA 405 Cb 0.22 0.41 -0.04 0.00 0.00 0.00 0.00 17.79 18.38 1k2s h ALA 405 CO -0.01 -0.73 0.45 0.87 0.00 0.00 0.00 179.25 179.83 1k2s h LYS 406 N -0.37 0.47 0.00 0.00 1.57 -1.29 -1.49 116.57 115.46 1k2s h LYS 406 Ca 0.06 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.64 1k2s h LYS 406 Cb 0.45 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1k2s h LYS 406 CO -0.21 0.31 -0.90 0.45 -0.57 0.00 0.00 179.45 178.53 1k2s h HIS 407 N 0.49 0.00 -0.24 -1.35 3.86 0.29 -0.62 115.15 117.58 1k2s h HIS 407 Ca 0.32 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.52 1k2s h HIS 407 Cb 0.58 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 1k2s h HIS 407 CO -0.00 0.78 0.13 0.00 0.86 0.00 0.00 177.93 179.70 1k2s h ALA 408 N 1.22 0.30 -0.47 2.45 0.00 0.12 0.21 119.26 123.10 1k2s h ALA 408 Ca -0.04 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1k2s h ALA 408 Cb 1.63 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 1k2s h ALA 408 CO 0.10 -0.17 0.17 2.35 0.00 0.00 0.00 179.25 181.69 1k2s h TRP 409 N 0.28 0.73 -0.51 0.00 7.01 -1.37 -2.13 115.95 119.95 1k2s h TRP 409 Ca 0.08 -0.06 0.12 0.00 2.11 0.00 0.00 58.89 61.15 1k2s h TRP 409 Cb 0.05 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 26.87 1k2s h TRP 409 CO -0.04 0.63 0.36 -0.09 -2.79 0.00 0.00 178.44 176.51 1k2s h ARG 410 N 0.61 0.13 -0.10 2.65 2.43 -0.49 -0.38 114.38 119.24 1k2s h ARG 410 Ca 0.15 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 1k2s h ARG 410 Cb 0.23 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1k2s h ARG 410 CO -0.01 0.09 0.00 0.09 -1.51 0.00 0.00 179.97 178.63 1k2s n ASN 411 N -4.43 2.12 -4.56 -3.80 3.02 0.01 -4.84 115.26 102.79 1k2s n ASN 411 Ca 0.09 -1.72 -0.22 0.00 -0.03 0.00 0.00 54.58 52.70 1k2s n ASN 411 Cb 0.49 -0.06 -0.06 0.00 -0.61 0.00 0.00 39.78 39.55 1k2s n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1k2s s ALA 412 N -1.89 1.25 0.57 5.41 0.00 -0.15 -4.75 121.76 122.20 1k2s s ALA 412 Ca 0.34 -1.08 0.27 0.00 0.00 0.00 0.00 51.96 51.50 1k2s s ALA 412 Cb 0.20 -4.54 1.50 0.00 0.00 0.00 0.00 23.12 20.28 1k2s s ALA 412 CO 0.31 -5.25 2.00 0.66 0.00 0.00 0.00 175.76 173.48 1k2s h SER 413 N 12.50 0.00 -0.27 0.00 4.64 -1.88 -0.09 113.55 128.45 1k2s h SER 413 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1k2s h SER 413 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1k2s h SER 413 CO 1.12 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.62 1k2s n ARG 414 N -4.00 1.84 -3.62 4.77 1.74 -1.26 -0.33 116.66 115.80 1k2s n ARG 414 Ca 0.07 -1.28 -0.38 0.00 -0.77 0.00 0.00 57.85 55.49 1k2s n ARG 414 Cb 0.53 -1.36 -0.11 0.00 -1.02 0.00 0.00 32.46 30.50 1k2s n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1k2s n VAL 416 N 4.86 0.00 -0.55 0.00 3.14 -1.26 -3.89 118.33 120.63 1k2s n VAL 416 Ca -0.14 -0.01 0.10 0.00 -2.96 0.00 0.00 64.34 61.33 1k2s n VAL 416 Cb 0.52 0.12 0.36 0.00 -1.06 0.00 0.00 33.84 33.78 1k2s n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1k2s n GLY 417 N 1.49 2.65 0.00 7.55 0.00 -1.26 -4.39 105.19 111.23 1k2s n GLY 417 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.24 1k2s n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k2s n ARG 418 N 1.25 0.00 0.31 1.61 1.74 -1.25 -1.67 116.66 118.65 1k2s n ARG 418 Ca 0.26 0.31 0.20 0.00 -0.77 0.00 0.00 57.85 57.85 1k2s n ARG 418 Cb 0.84 -1.55 1.03 0.00 -1.02 0.00 0.00 32.46 31.76 1k2s n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1k2s h ILE 419 N 0.00 0.09 -0.61 0.55 2.10 -1.92 0.12 117.51 117.83 1k2s h ILE 419 Ca 0.00 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.76 1k2s h ILE 419 Cb 0.09 1.16 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 1k2s h ILE 419 CO 0.00 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.08 1k2s n GLN 420 N -3.18 2.50 -0.31 2.19 1.13 -0.67 -4.66 117.38 114.39 1k2s n GLN 420 Ca -0.02 -2.33 0.16 0.00 -1.94 0.00 0.00 57.00 52.87 1k2s n GLN 420 Cb 0.15 -1.51 0.34 0.00 0.11 0.00 0.00 30.24 29.32 1k2s n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1k2s h TRP 421 N 3.91 0.56 0.00 1.08 5.08 -1.15 -1.48 115.95 123.95 1k2s h TRP 421 Ca 0.00 0.05 -0.14 0.00 1.08 0.00 0.00 58.89 59.87 1k2s h TRP 421 Cb 0.89 -0.10 -0.02 0.00 -3.00 0.00 0.00 29.16 26.93 1k2s h TRP 421 CO 0.40 -0.16 -0.68 0.66 -1.28 0.00 0.00 178.44 177.38 1k2s h SER 422 N 0.28 0.00 -1.81 0.11 4.64 -1.83 -3.38 113.55 111.56 1k2s h SER 422 Ca 0.60 0.00 -0.72 0.00 -0.47 0.00 0.00 61.79 61.20 1k2s h SER 422 Cb 1.24 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.18 1k2s h SER 422 CO -0.62 0.68 1.59 -0.75 -0.87 0.00 0.00 176.83 176.86 1k2s s LYS 423 N -3.32 4.07 -0.03 4.77 2.20 -0.56 -4.93 119.74 121.94 1k2s s LYS 423 Ca -0.00 -2.43 0.01 0.00 -0.36 0.00 0.00 55.97 53.19 1k2s s LYS 423 Cb 0.11 -5.19 0.02 0.00 -1.51 0.00 0.00 37.83 31.26 1k2s s LYS 423 CO 0.76 -1.90 -0.02 -1.17 -0.36 0.00 0.00 175.35 172.66 1k2s s LEU 424 N 2.29 1.31 -0.23 5.43 2.96 -1.26 -4.59 118.68 124.60 1k2s s LEU 424 Ca 0.46 -0.08 -0.20 0.00 -0.22 0.00 0.00 54.13 54.09 1k2s s LEU 424 Cb -0.01 -0.33 -0.02 0.00 0.50 0.00 0.00 46.19 46.33 1k2s s LEU 424 CO 0.02 -0.07 0.61 -1.58 -1.32 0.00 0.00 176.35 174.01 1k2s s GLN 425 N 0.88 4.15 -0.18 1.98 2.00 -0.48 -4.97 119.66 123.04 1k2s s GLN 425 Ca -0.10 0.54 -0.07 0.00 -2.00 0.00 0.00 55.36 53.73 1k2s s GLN 425 Cb -0.13 -3.61 -0.04 0.00 0.80 0.00 0.00 33.01 30.02 1k2s s GLN 425 CO -0.01 -0.31 0.05 0.08 -0.50 0.00 0.00 175.29 174.60 1k2s s VAL 426 N 2.17 4.60 -0.32 1.34 1.01 -1.26 -1.06 120.40 126.89 1k2s s VAL 426 Ca 0.26 -0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.11 1k2s s VAL 426 Cb -0.16 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.20 1k2s s VAL 426 CO 0.09 0.46 0.04 -0.36 0.00 0.00 0.00 175.10 175.33 1k2s s PHE 427 N 0.45 3.28 -0.81 5.22 0.08 0.91 -4.96 117.98 122.14 1k2s s PHE 427 Ca 0.02 -1.79 -0.25 0.00 0.12 0.00 0.00 56.93 55.02 1k2s s PHE 427 Cb -0.13 -2.22 -0.01 0.00 -0.57 0.00 0.00 43.02 40.10 1k2s s PHE 427 CO 0.01 -0.80 1.72 0.34 -0.10 0.00 0.00 175.22 176.39 1k2s s ASP 428 N 1.33 5.61 -0.41 1.36 -1.08 -1.26 -0.90 116.67 121.30 1k2s s ASP 428 Ca -0.04 -0.49 0.05 0.00 -0.52 0.00 0.00 52.55 51.55 1k2s s ASP 428 Cb -0.20 -2.55 0.65 0.00 -1.46 0.00 0.00 42.92 39.36 1k2s s ASP 428 CO -0.00 -2.25 1.83 0.00 0.52 0.00 0.00 175.17 175.27 1k2s n ALA 429 N 11.90 5.29 0.29 3.66 0.00 0.14 -4.54 120.51 137.25 1k2s n ALA 429 Ca 0.27 -2.88 0.17 0.00 0.00 0.00 0.00 53.44 51.00 1k2s n ALA 429 Cb 0.50 -1.31 0.71 0.00 0.00 0.00 0.00 19.45 19.34 1k2s n ALA 429 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k2s h ARG 430 N 1.17 0.00 -0.11 0.00 3.08 -1.78 -2.44 114.38 114.30 1k2s h ARG 430 Ca 0.53 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.58 1k2s h ARG 430 Cb 2.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.68 1k2s h ARG 430 CO 0.96 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 179.46 1k2s n ASP 431 N -3.02 1.29 -4.76 7.04 5.75 -1.26 -4.40 116.55 117.19 1k2s n ASP 431 Ca 0.00 -1.60 -0.34 0.00 -0.01 0.00 0.00 54.79 52.85 1k2s n ASP 431 Cb 0.28 -0.07 0.05 0.00 -1.03 0.00 0.00 41.12 40.35 1k2s n ASP 431 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k2s n THR 433 N -2.31 0.00 -4.20 0.00 -2.24 -1.26 -4.83 114.28 99.45 1k2s n THR 433 Ca 0.11 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.77 1k2s n THR 433 Cb 0.51 0.71 -0.10 0.00 -2.10 0.00 0.00 70.33 69.35 1k2s n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1k2s s THR 434 N 0.00 0.14 0.16 4.28 -4.23 -1.26 -4.57 115.64 110.15 1k2s s THR 434 Ca 0.00 -1.97 -0.15 0.00 -1.18 0.00 0.00 61.69 58.39 1k2s s THR 434 Cb 0.00 -2.34 0.03 0.00 1.34 0.00 0.00 72.50 71.53 1k2s s THR 434 CO 0.00 -0.18 1.79 0.00 -0.54 0.00 0.00 174.62 175.68 1k2s h ALA 435 N 2.68 0.59 -0.84 3.99 0.00 -1.90 0.96 119.26 124.74 1k2s h ALA 435 Ca -0.36 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.50 1k2s h ALA 435 Cb 1.23 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1k2s h ALA 435 CO 0.56 0.09 0.55 0.45 0.00 0.00 0.00 179.25 180.91 1k2s h HIS 436 N 0.62 1.05 -0.40 0.00 -0.00 -1.96 0.26 115.15 114.71 1k2s h HIS 436 Ca 0.17 0.03 0.05 0.00 -0.00 0.00 0.00 60.37 60.61 1k2s h HIS 436 Cb 0.00 -0.35 -0.04 0.00 -0.00 0.00 0.00 27.41 27.02 1k2s h HIS 436 CO -0.03 0.65 0.15 0.78 -0.00 0.00 0.00 177.93 179.48 1k2s h GLY 437 N 1.13 0.52 1.02 2.45 0.00 -1.63 -0.41 103.07 106.15 1k2s h GLY 437 Ca 0.31 -0.09 -0.02 0.00 0.00 0.00 0.00 47.33 47.54 1k2s h GLY 437 CO -0.07 0.04 0.43 -0.33 0.00 0.00 0.00 176.54 176.61 1k2s h MET 438 N 0.32 1.12 -0.49 4.80 0.00 0.19 -2.32 114.93 118.55 1k2s h MET 438 Ca 0.18 -0.13 0.07 0.00 0.00 0.00 0.00 59.70 59.82 1k2s h MET 438 Cb 0.16 -0.22 -0.06 0.00 0.00 0.00 0.00 31.60 31.48 1k2s h MET 438 CO -0.18 0.83 0.16 0.35 0.00 0.00 0.00 176.91 178.07 1k2s h PHE 439 N 1.11 0.28 0.56 -0.22 3.04 0.98 0.18 116.94 122.87 1k2s h PHE 439 Ca 0.28 0.03 -0.02 0.00 3.98 0.00 0.00 57.97 62.24 1k2s h PHE 439 Cb 0.04 -0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.49 1k2s h PHE 439 CO 0.00 0.08 -0.38 -0.97 -2.02 0.00 0.00 178.31 175.03 1k2s h ASN 440 N 0.33 -0.97 -0.89 0.41 -1.24 -0.70 -2.21 115.58 110.31 1k2s h ASN 440 Ca 0.24 0.06 0.21 0.00 0.71 0.00 0.00 56.30 57.52 1k2s h ASN 440 Cb 0.26 0.30 -0.12 0.00 0.73 0.00 0.00 38.32 39.49 1k2s h ASN 440 CO -0.25 -0.57 0.39 1.88 -1.29 0.00 0.00 177.43 177.58 1k2s h TYR 441 N -0.90 0.65 0.00 0.67 -1.99 -0.95 0.43 116.97 114.88 1k2s h TYR 441 Ca -0.06 0.04 -0.11 0.00 2.00 0.00 0.00 58.73 60.60 1k2s h TYR 441 Cb 0.74 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 39.31 1k2s h TYR 441 CO -0.13 -0.02 -0.52 0.82 -0.00 0.00 0.00 178.16 178.31 1k2s h ILE 442 N 0.42 1.35 -0.16 -2.88 2.04 -0.78 -1.63 117.51 115.87 1k2s h ILE 442 Ca 0.54 -1.80 -0.17 0.00 1.00 0.00 0.00 64.86 64.43 1k2s h ILE 442 Cb 1.00 1.98 0.01 0.00 -0.74 0.00 0.00 36.82 39.07 1k2s h ILE 442 CO -0.51 0.51 -0.56 0.00 0.00 0.00 0.00 178.15 177.59 1k2s h ASN 444 N 0.33 1.01 -0.00 0.00 2.35 -1.12 -1.43 115.58 116.71 1k2s h ASN 444 Ca -0.03 -0.14 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1k2s h ASN 444 Cb 1.19 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 39.30 1k2s h ASN 444 CO 0.12 0.88 0.00 -0.74 -1.65 0.00 0.00 177.43 176.04 1k2s h HIS 445 N 1.09 0.01 -0.49 1.19 2.76 -1.15 -0.70 115.15 117.85 1k2s h HIS 445 Ca 0.26 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.49 1k2s h HIS 445 Cb 0.17 -0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.07 1k2s h HIS 445 CO 0.02 0.23 0.19 0.28 -1.30 0.00 0.00 177.93 177.35 1k2s h VAL 446 N -0.22 0.85 -0.03 5.26 2.07 -0.90 -0.62 116.25 122.67 1k2s h VAL 446 Ca 0.00 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1k2s h VAL 446 Cb 0.23 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1k2s h VAL 446 CO 0.00 0.07 0.00 0.50 0.02 0.00 0.00 177.57 178.16 1k2s h LYS 447 N 0.37 0.04 -0.35 1.57 3.64 -1.13 -0.84 116.57 119.88 1k2s h LYS 447 Ca 0.23 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.64 1k2s h LYS 447 Cb 0.23 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.01 1k2s h LYS 447 CO -0.23 0.33 0.12 -0.92 -2.27 0.00 0.00 179.45 176.48 1k2s h TYR 448 N -0.25 0.21 -0.12 1.91 3.20 -0.95 -2.44 116.97 118.52 1k2s h TYR 448 Ca 0.01 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 1k2s h TYR 448 Cb 0.31 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1k2s h TYR 448 CO 0.03 0.09 0.06 0.00 -1.64 0.00 0.00 178.16 176.70 1k2s h ALA 449 N 1.23 0.16 0.29 1.82 0.00 -1.07 -3.20 119.26 118.48 1k2s h ALA 449 Ca 0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1k2s h ALA 449 Cb 0.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1k2s h ALA 449 CO -0.17 -0.29 -0.14 1.15 0.00 0.00 0.00 179.25 179.80 1k2s h THR 450 N 0.08 0.73 -5.89 0.00 2.02 -1.09 -0.63 112.91 108.13 1k2s h THR 450 Ca 0.04 -0.07 -0.39 0.00 0.77 0.00 0.00 66.41 66.76 1k2s h THR 450 Cb 0.10 0.77 0.11 0.00 -1.74 0.00 0.00 68.15 67.39 1k2s h THR 450 CO -0.01 0.02 -0.75 -3.20 0.37 0.00 0.00 175.52 171.95 1k2s n ASN 451 N -5.24 -3.85 -0.89 4.18 4.05 -0.93 -1.73 115.26 110.85 1k2s n ASN 451 Ca -0.10 -0.65 -0.12 0.00 0.45 0.00 0.00 54.58 54.17 1k2s n ASN 451 Cb 0.19 -4.74 -0.05 0.00 1.23 0.00 0.00 39.78 36.40 1k2s n ASN 451 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 1k2s n LYS 452 N -4.55 -1.48 0.00 1.20 5.02 -1.26 -2.49 118.16 114.60 1k2s n LYS 452 Ca -0.14 0.89 0.00 0.00 -2.02 0.00 0.00 58.31 57.04 1k2s n LYS 452 Cb 0.61 -5.19 0.00 0.00 -0.02 0.00 0.00 35.03 30.43 1k2s n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1k2s n GLY 453 N -0.22 1.93 3.35 0.72 0.00 -0.70 -4.95 105.19 105.32 1k2s n GLY 453 Ca -0.12 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.44 1k2s n GLY 453 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1k2s s ASN 454 N -1.82 6.87 0.51 1.61 3.04 -1.04 -0.90 114.94 123.22 1k2s s ASN 454 Ca 0.00 -2.80 -0.23 0.00 0.04 0.00 0.00 52.86 49.87 1k2s s ASN 454 Cb 0.00 -2.24 -0.06 0.00 -1.54 0.00 0.00 41.25 37.40 1k2s s ASN 454 CO 0.00 -0.59 1.39 -0.76 -3.04 0.00 0.00 177.10 174.10 1k2s s LEU 455 N 0.29 3.95 -0.03 3.21 1.43 -1.20 -4.41 118.68 121.92 1k2s s LEU 455 Ca 0.24 2.84 0.03 0.00 -1.03 0.00 0.00 54.13 56.21 1k2s s LEU 455 Cb -0.09 -4.14 -0.00 0.00 0.03 0.00 0.00 46.19 41.99 1k2s s LEU 455 CO -0.08 -1.44 -0.12 -0.13 0.23 0.00 0.00 176.35 174.81 1k2s s ARG 456 N -2.74 1.18 0.21 1.70 0.52 -0.24 -5.03 118.95 114.55 1k2s s ARG 456 Ca 0.68 -0.42 -0.30 0.00 -0.52 0.00 0.00 55.73 55.17 1k2s s ARG 456 Cb -0.42 -1.08 -0.08 0.00 0.52 0.00 0.00 34.95 33.88 1k2s s ARG 456 CO 0.51 0.19 1.17 -1.12 0.02 0.00 0.00 175.30 176.07 1k2s s SER 457 N 0.02 7.13 0.17 0.23 0.01 -1.26 -4.57 113.70 115.44 1k2s s SER 457 Ca -0.01 2.24 -0.20 0.00 1.31 0.00 0.00 55.95 59.29 1k2s s SER 457 Cb -0.08 -2.61 0.05 0.00 0.21 0.00 0.00 66.02 63.59 1k2s s SER 457 CO 0.01 -0.32 0.56 0.00 0.41 0.00 0.00 173.24 173.90 1k2s s ALA 458 N -0.33 -1.30 -0.14 1.44 0.00 -0.77 -1.38 121.76 119.28 1k2s s ALA 458 Ca 0.51 0.16 -0.11 0.00 0.00 0.00 0.00 51.96 52.51 1k2s s ALA 458 Cb -0.32 0.84 0.04 0.00 0.00 0.00 0.00 23.12 23.68 1k2s s ALA 458 CO 0.38 -0.78 0.36 -1.50 0.00 0.00 0.00 175.76 174.22 1k2s s ILE 459 N -3.80 -0.01 -0.20 0.00 2.07 -0.22 -1.12 121.20 117.91 1k2s s ILE 459 Ca 0.04 0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.28 1k2s s ILE 459 Cb -0.01 -0.51 -0.01 0.00 0.13 0.00 0.00 42.46 42.05 1k2s s ILE 459 CO -0.09 0.01 -0.05 -0.89 -1.91 0.00 0.00 174.94 172.02 1k2s s THR 460 N 0.51 3.48 -0.26 4.00 2.01 -0.39 -0.06 115.64 124.92 1k2s s THR 460 Ca -0.03 -0.47 -0.07 0.00 0.31 0.00 0.00 61.69 61.44 1k2s s THR 460 Cb -0.04 -2.56 -0.01 0.00 0.01 0.00 0.00 72.50 69.90 1k2s s THR 460 CO -0.03 0.45 0.05 -0.63 -0.69 0.00 0.00 174.62 173.77 1k2s s ILE 461 N 1.12 4.02 0.46 1.82 1.01 -0.08 -3.09 121.20 126.46 1k2s s ILE 461 Ca 0.02 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1k2s s ILE 461 Cb -0.15 -2.93 0.01 0.00 0.01 0.00 0.00 42.46 39.40 1k2s s ILE 461 CO -0.00 0.27 0.66 -0.36 0.00 0.00 0.00 174.94 175.51 1k2s s PHE 462 N 1.55 3.09 -0.07 3.97 0.08 -0.91 0.25 117.98 125.94 1k2s s PHE 462 Ca 0.05 0.07 -0.32 0.00 0.12 0.00 0.00 56.93 56.85 1k2s s PHE 462 Cb -0.16 -2.39 -0.15 0.00 -0.57 0.00 0.00 43.02 39.75 1k2s s PHE 462 CO 0.02 -0.45 0.90 -2.30 -0.10 0.00 0.00 175.22 173.29 1k2s n PRO 463 N -2.07 0.00 -2.00 0.24 -0.02 -1.25 -4.75 135.00 125.14 1k2s n PRO 463 Ca 0.03 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.16 1k2s n PRO 463 Cb 0.58 -1.16 0.03 0.00 -0.02 0.00 0.00 33.50 32.94 1k2s n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1k2s s GLN 464 N 0.42 2.97 0.66 -0.52 -2.07 -1.26 -4.63 119.66 115.22 1k2s s GLN 464 Ca 0.72 1.77 -0.17 0.00 -1.82 0.00 0.00 55.36 55.86 1k2s s GLN 464 Cb -1.01 -1.94 0.00 0.00 -1.09 0.00 0.00 33.01 28.97 1k2s s GLN 464 CO 0.47 -1.19 1.21 0.50 -1.32 0.00 0.00 175.29 174.96 1k2s s ARG 465 N -3.40 2.56 0.00 9.60 3.52 0.16 -4.99 118.95 126.40 1k2s s ARG 465 Ca 0.76 1.78 0.00 0.00 -0.13 0.00 0.00 55.73 58.14 1k2s s ARG 465 Cb -0.29 -1.88 0.00 0.00 -1.56 0.00 0.00 34.95 31.22 1k2s s ARG 465 CO 0.33 -1.52 0.00 0.25 -0.81 0.00 0.00 175.30 173.56 1k2s n THR 466 N -2.18 0.00 0.42 4.11 -2.24 -1.26 -4.72 114.28 108.41 1k2s n THR 466 Ca 0.13 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.03 1k2s n THR 466 Cb 0.50 -0.27 0.23 0.00 -2.10 0.00 0.00 70.33 68.68 1k2s n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1k2s n ASP 467 N -0.78 3.29 0.00 3.42 5.75 -1.26 -4.62 116.55 122.35 1k2s n ASP 467 Ca 0.00 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.81 1k2s n ASP 467 Cb 0.00 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 39.86 1k2s n ASP 467 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1k2s n GLY 468 N 1.47 0.49 0.11 6.12 0.00 -1.26 -4.75 105.19 107.37 1k2s n GLY 468 Ca 0.19 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.26 1k2s n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1k2s n LYS 469 N -1.81 2.88 -0.46 1.61 5.02 -1.26 -4.46 118.16 119.69 1k2s n LYS 469 Ca 0.00 -0.27 0.06 0.00 -2.02 0.00 0.00 58.31 56.08 1k2s n LYS 469 Cb 0.06 -1.05 0.19 0.00 -0.02 0.00 0.00 35.03 34.21 1k2s n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1k2s n HIS 470 N -0.82 0.17 -1.73 2.13 8.25 -1.26 -4.37 115.22 117.58 1k2s n HIS 470 Ca 0.03 -1.33 -0.39 0.00 -0.26 0.00 0.00 57.72 55.77 1k2s n HIS 470 Cb 0.19 -0.25 0.04 0.00 1.12 0.00 0.00 29.99 31.09 1k2s n HIS 470 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1k2s n ASP 471 N -1.19 2.57 -4.72 0.41 9.92 -1.26 -2.83 116.55 119.45 1k2s n ASP 471 Ca 0.20 0.98 -0.35 0.00 -0.53 0.00 0.00 54.79 55.09 1k2s n ASP 471 Cb 0.72 -1.56 -0.08 0.00 -0.64 0.00 0.00 41.12 39.56 1k2s n ASP 471 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 1k2s s PHE 472 N -1.29 3.34 0.02 1.24 0.40 -1.26 -0.32 117.98 120.11 1k2s s PHE 472 Ca 0.71 0.25 -0.06 0.00 -0.60 0.00 0.00 56.93 57.23 1k2s s PHE 472 Cb -0.43 -1.97 -0.01 0.00 0.51 0.00 0.00 43.02 41.13 1k2s s PHE 472 CO 0.50 0.41 0.11 1.03 0.70 0.00 0.00 175.22 177.97 1k2s s ARG 473 N -0.34 0.53 -0.25 0.44 1.81 -0.27 -3.13 118.95 117.74 1k2s s ARG 473 Ca 0.09 -0.58 -0.03 0.00 -1.72 0.00 0.00 55.73 53.50 1k2s s ARG 473 Cb -0.12 0.21 0.02 0.00 -0.45 0.00 0.00 34.95 34.61 1k2s s ARG 473 CO 0.02 -0.13 -0.04 0.08 -0.68 0.00 0.00 175.30 174.55 1k2s s VAL 474 N -1.97 3.07 0.18 3.52 1.01 -1.26 -1.23 120.40 123.72 1k2s s VAL 474 Ca -0.10 -0.91 -0.04 0.00 0.00 0.00 0.00 61.98 60.92 1k2s s VAL 474 Cb -0.05 -2.54 -0.06 0.00 0.00 0.00 0.00 36.38 33.73 1k2s s VAL 474 CO -0.01 0.22 1.48 -0.50 0.00 0.00 0.00 175.10 176.28 1k2s h TRP 475 N 8.05 0.76 -4.21 5.22 4.06 -1.63 -3.42 115.95 124.79 1k2s h TRP 475 Ca -0.34 -0.27 -0.53 0.00 2.06 0.00 0.00 58.89 59.81 1k2s h TRP 475 Cb 1.12 -0.14 0.16 0.00 -1.00 0.00 0.00 29.16 29.30 1k2s h TRP 475 CO 0.58 1.02 0.35 -0.80 -3.56 0.00 0.00 178.44 176.03 1k2s s ASN 476 N -6.93 3.93 0.01 -3.49 -0.87 -1.26 -4.93 114.94 101.40 1k2s s ASN 476 Ca -0.08 2.28 0.01 0.00 -1.57 0.00 0.00 52.86 53.51 1k2s s ASN 476 Cb 0.11 -2.58 -0.26 0.00 -0.02 0.00 0.00 41.25 38.50 1k2s s ASN 476 CO 0.85 -2.43 0.86 0.77 -2.57 0.00 0.00 177.10 174.58 1k2s h SER 477 N -0.71 0.25 -4.36 -1.22 4.64 -1.90 -3.37 113.55 106.88 1k2s h SER 477 Ca -0.46 -0.37 -0.40 0.00 -0.47 0.00 0.00 61.79 60.09 1k2s h SER 477 Cb 1.28 -0.08 -0.24 0.00 -0.31 0.00 0.00 62.40 63.05 1k2s h SER 477 CO 0.48 1.31 -0.78 -1.10 -0.87 0.00 0.00 176.83 175.87 1k2s s GLN 478 N -2.63 0.80 0.31 4.77 -0.21 -1.26 0.92 119.66 122.36 1k2s s GLN 478 Ca -0.07 -0.70 0.01 0.00 0.02 0.00 0.00 55.36 54.62 1k2s s GLN 478 Cb 0.08 -0.76 0.55 0.00 1.00 0.00 0.00 33.01 33.88 1k2s s GLN 478 CO 0.84 0.18 1.91 -0.07 -2.12 0.00 0.00 175.29 176.03 1k2s h LEU 479 N 4.95 0.88 -8.44 2.90 3.38 -1.36 -3.39 115.31 114.23 1k2s h LEU 479 Ca -0.37 0.01 -0.67 0.00 0.09 0.00 0.00 57.88 56.95 1k2s h LEU 479 Cb 1.19 -0.18 -0.30 0.00 0.09 0.00 0.00 40.66 41.46 1k2s h LEU 479 CO 0.44 0.56 -0.81 -0.63 0.09 0.00 0.00 178.44 178.09 1k2s s ILE 480 N -5.88 2.65 -0.17 1.22 1.01 -1.26 -4.87 121.20 113.89 1k2s s ILE 480 Ca -0.11 -0.79 -0.28 0.00 0.00 0.00 0.00 60.65 59.46 1k2s s ILE 480 Cb 0.20 -2.10 0.09 0.00 0.01 0.00 0.00 42.46 40.67 1k2s s ILE 480 CO 0.80 0.53 0.82 -0.13 0.00 0.00 0.00 174.94 176.96 1k2s s ARG 481 N 0.56 0.80 0.33 2.79 0.52 -1.26 -4.85 118.95 117.83 1k2s s ARG 481 Ca -0.10 0.49 -0.23 0.00 -0.52 0.00 0.00 55.73 55.37 1k2s s ARG 481 Cb -0.16 0.38 -0.10 0.00 0.52 0.00 0.00 34.95 35.59 1k2s s ARG 481 CO 0.04 -0.19 0.89 0.71 0.02 0.00 0.00 175.30 176.77 1k2s s TYR 482 N -0.50 3.59 0.49 -0.53 1.51 -1.26 -0.59 117.35 120.06 1k2s s TYR 482 Ca -0.04 1.64 -0.20 0.00 -1.01 0.00 0.00 57.07 57.47 1k2s s TYR 482 Cb -0.02 -2.83 -0.08 0.00 -0.11 0.00 0.00 41.96 38.91 1k2s s TYR 482 CO 0.03 0.16 1.04 0.00 -1.11 0.00 0.00 175.55 175.68 1k2s s ALA 483 N -1.73 2.86 -0.08 3.71 0.00 0.26 -4.51 121.76 122.26 1k2s s ALA 483 Ca 0.51 0.61 0.04 0.00 0.00 0.00 0.00 51.96 53.12 1k2s s ALA 483 Cb -0.16 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 1k2s s ALA 483 CO 0.21 -0.34 -0.19 0.20 0.00 0.00 0.00 175.76 175.63 1k2s s GLY 484 N -1.99 1.42 -0.09 0.00 0.00 -1.23 -2.10 107.32 103.33 1k2s s GLY 484 Ca 0.67 -0.98 0.01 0.00 0.00 0.00 0.00 44.72 44.42 1k2s s GLY 484 CO 0.21 -0.53 -0.09 -0.19 0.00 0.00 0.00 173.10 172.49 1k2s s TYR 485 N -0.13 1.41 -0.06 1.90 1.51 0.18 -4.07 117.35 118.09 1k2s s TYR 485 Ca -0.03 -0.60 -0.19 0.00 -1.01 0.00 0.00 57.07 55.23 1k2s s TYR 485 Cb -0.14 -1.11 -0.05 0.00 -0.11 0.00 0.00 41.96 40.55 1k2s s TYR 485 CO 0.04 -0.38 0.54 0.21 -1.11 0.00 0.00 175.55 174.85 1k2s s LYS 486 N 1.17 4.31 0.19 -0.62 2.20 -1.26 0.86 119.74 126.59 1k2s s LYS 486 Ca -0.05 0.60 0.05 0.00 -0.36 0.00 0.00 55.97 56.21 1k2s s LYS 486 Cb -0.14 -3.39 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 1k2s s LYS 486 CO -0.02 0.26 0.23 -0.65 -0.36 0.00 0.00 175.35 174.81 1k2s s GLN 487 N 0.24 3.15 0.55 4.03 -0.21 -0.94 -4.95 119.66 121.53 1k2s s GLN 487 Ca 0.29 -0.82 0.23 0.00 0.02 0.00 0.00 55.36 55.08 1k2s s GLN 487 Cb -0.17 -2.76 1.48 0.00 1.00 0.00 0.00 33.01 32.57 1k2s s GLN 487 CO 0.14 0.47 2.13 -1.00 -2.12 0.00 0.00 175.29 174.91 1k2s h PRO 488 N 1.90 0.00 -0.55 2.91 0.13 -1.98 0.23 132.00 134.64 1k2s h PRO 488 Ca -0.49 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 64.80 1k2s h PRO 488 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 1k2s h PRO 488 CO 0.64 0.00 0.54 0.22 -0.23 0.00 0.00 178.00 179.16 1k2s h ASP 489 N 0.00 0.00 0.00 1.44 1.82 -2.03 -3.44 116.42 114.21 1k2s h ASP 489 Ca 0.07 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.71 1k2s h ASP 489 Cb 0.30 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.31 1k2s h ASP 489 CO -0.00 0.00 0.00 0.61 -1.61 0.00 0.00 179.24 178.24 1k2s n GLY 490 N -1.55 2.16 3.61 -0.78 0.00 0.07 -5.07 105.19 103.64 1k2s n GLY 490 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1k2s n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1k2s s SER 491 N 0.10 1.00 -0.08 1.61 1.04 -1.26 -4.79 113.70 111.32 1k2s s SER 491 Ca 0.00 0.58 0.00 0.00 0.48 0.00 0.00 55.95 57.01 1k2s s SER 491 Cb 0.00 -0.78 0.02 0.00 0.10 0.00 0.00 66.02 65.36 1k2s s SER 491 CO 0.00 -4.07 -0.06 -0.89 0.98 0.00 0.00 173.24 169.20 1k2s s THR 492 N -3.07 0.76 -0.18 2.02 2.01 -1.26 -2.21 115.64 113.70 1k2s s THR 492 Ca 0.71 -0.18 -0.14 0.00 0.31 0.00 0.00 61.69 62.39 1k2s s THR 492 Cb -0.09 -0.79 -0.05 0.00 0.01 0.00 0.00 72.50 71.59 1k2s s THR 492 CO 0.56 0.30 0.30 -0.22 -0.69 0.00 0.00 174.62 174.86 1k2s s LEU 493 N 1.36 4.21 0.00 4.42 2.96 0.25 -4.90 118.68 126.97 1k2s s LEU 493 Ca -0.03 0.45 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 1k2s s LEU 493 Cb -0.14 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.19 1k2s s LEU 493 CO -0.03 0.06 0.00 0.61 -1.32 0.00 0.00 176.35 175.67 1k2s n GLY 494 N 3.62 0.80 3.41 7.98 0.00 -1.26 0.50 105.19 120.24 1k2s n GLY 494 Ca -0.12 -1.27 -0.44 0.00 0.00 0.00 0.00 46.02 44.20 1k2s n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1k2s s ASP 495 N -4.00 6.12 0.38 1.61 -1.08 -0.89 -4.72 116.67 114.08 1k2s s ASP 495 Ca 0.00 -1.15 0.14 0.00 -0.52 0.00 0.00 52.55 51.02 1k2s s ASP 495 Cb 0.00 -2.17 0.99 0.00 -1.46 0.00 0.00 42.92 40.28 1k2s s ASP 495 CO 0.00 -0.56 1.80 -0.65 0.52 0.00 0.00 175.17 176.28 1k2s h PRO 496 N 8.69 0.50 0.00 4.34 0.11 -1.82 -0.45 132.00 143.38 1k2s h PRO 496 Ca -0.28 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.80 1k2s h PRO 496 Cb 1.11 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1k2s h PRO 496 CO 0.81 0.33 0.06 0.00 -0.21 0.00 0.00 178.00 178.99 1k2s h ALA 497 N 1.63 1.05 -0.01 -0.75 0.00 -1.93 -2.43 119.26 116.82 1k2s h ALA 497 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.46 1k2s h ALA 497 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1k2s h ALA 497 CO -0.29 -0.05 -0.03 0.09 0.00 0.00 0.00 179.25 178.97 1k2s n ASN 498 N -2.80 1.60 -0.38 0.00 3.02 -0.18 -4.76 115.26 111.76 1k2s n ASN 498 Ca -0.02 -1.30 -0.02 0.00 -0.03 0.00 0.00 54.58 53.21 1k2s n ASN 498 Cb 0.11 0.08 0.03 0.00 -0.61 0.00 0.00 39.78 39.38 1k2s n ASN 498 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1k2s n VAL 499 N 0.35 -0.53 0.15 2.41 0.31 -0.92 -0.39 118.33 119.72 1k2s n VAL 499 Ca 0.05 2.30 -0.14 0.00 -0.01 0.00 0.00 64.34 66.53 1k2s n VAL 499 Cb 0.20 -3.01 -0.07 0.00 -0.91 0.00 0.00 33.84 30.05 1k2s n VAL 499 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1k2s h GLN 500 N 0.00 -0.32 -0.97 5.55 4.15 -1.86 -1.81 115.11 119.86 1k2s h GLN 500 Ca 0.32 0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.81 1k2s h GLN 500 Cb 0.56 0.07 -0.06 0.00 0.21 0.00 0.00 27.48 28.27 1k2s h GLN 500 CO -0.96 -0.21 0.63 0.35 -1.93 0.00 0.00 178.83 176.70 1k2s h PHE 501 N -0.33 1.17 -0.83 3.99 3.57 -1.56 -1.72 116.94 121.22 1k2s h PHE 501 Ca -0.02 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.56 1k2s h PHE 501 Cb 0.27 -0.39 -0.06 0.00 2.79 0.00 0.00 35.95 38.57 1k2s h PHE 501 CO -0.08 0.66 0.52 1.15 -2.23 0.00 0.00 178.31 178.33 1k2s h THR 502 N 1.20 1.07 0.01 4.41 2.02 -0.43 -1.89 112.91 119.31 1k2s h THR 502 Ca 0.39 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 67.24 1k2s h THR 502 Cb 0.05 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.46 1k2s h THR 502 CO -0.14 0.18 -0.01 -0.33 0.37 0.00 0.00 175.52 175.59 1k2s h GLU 503 N 0.98 -0.02 -0.67 6.66 5.08 -0.46 -1.07 114.58 125.07 1k2s h GLU 503 Ca 0.35 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 58.83 1k2s h GLU 503 Cb 0.10 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1k2s h GLU 503 CO -0.15 -0.01 0.45 0.82 -1.00 0.00 0.00 179.01 179.12 1k2s h ILE 504 N -0.02 0.85 -0.10 3.13 2.04 -0.94 0.56 117.51 123.03 1k2s h ILE 504 Ca -0.00 -0.14 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 1k2s h ILE 504 Cb 0.02 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 36.49 1k2s h ILE 504 CO 0.00 0.08 -0.15 0.00 0.00 0.00 0.00 178.15 178.08 1k2s h ILE 506 N -0.15 1.09 0.00 0.00 2.04 -0.29 0.85 117.51 121.04 1k2s h ILE 506 Ca 0.01 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1k2s h ILE 506 Cb 0.70 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1k2s h ILE 506 CO 0.03 0.08 0.07 -0.61 0.00 0.00 0.00 178.15 177.73 1k2s h GLN 507 N 0.09 0.00 -0.01 2.37 4.15 0.12 -0.36 115.11 121.47 1k2s h GLN 507 Ca 0.04 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1k2s h GLN 507 Cb 0.08 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.77 1k2s h GLN 507 CO -0.01 0.00 -0.75 0.94 -1.93 0.00 0.00 178.83 177.08 1k2s n GLN 508 N -2.60 0.56 0.00 1.69 -0.06 -0.44 -4.95 117.38 111.57 1k2s n GLN 508 Ca -0.02 -0.46 0.00 0.00 -2.00 0.00 0.00 57.00 54.52 1k2s n GLN 508 Cb 0.12 -1.49 0.00 0.00 -4.06 0.00 0.00 30.24 24.81 1k2s n GLN 508 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1k2s n GLY 509 N 1.46 1.22 3.76 1.69 0.00 -0.15 -4.97 105.19 108.20 1k2s n GLY 509 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 1k2s n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1k2s s TRP 510 N -1.08 2.65 -0.62 1.61 -0.00 0.17 -4.96 118.94 116.70 1k2s s TRP 510 Ca 0.00 1.40 -0.03 0.00 -0.00 0.00 0.00 56.10 57.47 1k2s s TRP 510 Cb 0.00 -3.69 0.16 0.00 -0.00 0.00 0.00 33.47 29.94 1k2s s TRP 510 CO 0.00 -2.31 0.44 0.15 -0.00 0.00 0.00 176.95 175.23 1k2s s LYS 511 N -2.50 2.56 0.25 5.86 1.02 -1.26 -4.33 119.74 121.34 1k2s s LYS 511 Ca 0.62 -2.53 -0.31 0.00 0.02 0.00 0.00 55.97 53.78 1k2s s LYS 511 Cb -0.38 -3.73 -0.11 0.00 -0.52 0.00 0.00 37.83 33.09 1k2s s LYS 511 CO 0.47 -1.17 1.58 0.00 -0.92 0.00 0.00 175.35 175.31 1k2s s ALA 512 N -0.05 3.76 -0.93 5.17 0.00 -1.26 -4.88 121.76 123.56 1k2s s ALA 512 Ca 0.17 1.49 0.23 0.00 0.00 0.00 0.00 51.96 53.85 1k2s s ALA 512 Cb -0.20 -3.63 0.94 0.00 0.00 0.00 0.00 23.12 20.23 1k2s s ALA 512 CO -0.03 -0.89 1.72 -2.30 0.00 0.00 0.00 175.76 174.26 1k2s n PRO 513 N 2.80 0.04 -3.80 0.00 -0.02 -1.26 -4.92 135.00 127.85 1k2s n PRO 513 Ca 0.10 0.15 -0.24 0.00 -2.02 0.00 0.00 63.50 61.50 1k2s n PRO 513 Cb 0.38 -1.56 0.01 0.00 -0.02 0.00 0.00 33.50 32.31 1k2s n PRO 513 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1k2s n ARG 514 N -1.64 -3.92 -3.42 -0.52 1.74 -1.26 -5.01 116.66 102.64 1k2s n ARG 514 Ca 0.05 0.52 -0.22 0.00 -0.77 0.00 0.00 57.85 57.44 1k2s n ARG 514 Cb 0.28 -4.83 0.00 0.00 -1.02 0.00 0.00 32.46 26.89 1k2s n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1k2s n GLY 515 N -1.75 2.76 0.09 -0.13 0.00 -1.26 -5.06 105.19 99.84 1k2s n GLY 515 Ca -0.29 -2.28 -0.04 0.00 0.00 0.00 0.00 46.02 43.42 1k2s n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1k2s h ARG 516 N 0.00 0.00 -2.08 1.61 2.43 -1.93 -3.39 114.38 111.03 1k2s h ARG 516 Ca -0.29 0.00 -0.55 0.00 -0.81 0.00 0.00 59.98 58.33 1k2s h ARG 516 Cb 1.06 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 30.21 1k2s h ARG 516 CO 0.45 0.69 -0.97 1.19 -1.51 0.00 0.00 179.97 179.82 1k2s n PHE 517 N -3.21 1.16 -3.16 2.20 3.01 -1.26 -4.31 117.46 111.89 1k2s n PHE 517 Ca -0.04 -3.81 -0.40 0.00 1.01 0.00 0.00 57.45 54.22 1k2s n PHE 517 Cb 0.89 -0.43 -0.07 0.00 -0.01 0.00 0.00 39.48 39.87 1k2s n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1k2s s ASP 518 N -2.08 6.57 -0.29 4.37 1.01 -1.26 -4.94 116.67 120.04 1k2s s ASP 518 Ca 0.39 0.69 -0.29 0.00 0.71 0.00 0.00 52.55 54.05 1k2s s ASP 518 Cb 0.23 -2.32 -0.01 0.00 1.01 0.00 0.00 42.92 41.83 1k2s s ASP 518 CO -0.09 -0.30 1.57 -0.69 0.21 0.00 0.00 175.17 175.87 1k2s s VAL 519 N 2.17 3.76 0.82 -1.27 1.01 -1.26 -0.58 120.40 125.05 1k2s s VAL 519 Ca 0.25 0.82 -0.13 0.00 0.00 0.00 0.00 61.98 62.92 1k2s s VAL 519 Cb -0.16 -3.86 0.06 0.00 0.00 0.00 0.00 36.38 32.43 1k2s s VAL 519 CO 0.09 -0.44 0.99 0.18 0.00 0.00 0.00 175.10 175.92 1k2s n LEU 520 N 8.79 3.18 -4.89 3.92 4.77 0.24 -4.91 117.00 128.10 1k2s n LEU 520 Ca 0.19 0.54 -0.29 0.00 -0.03 0.00 0.00 56.01 56.41 1k2s n LEU 520 Cb 0.46 -1.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.10 1k2s n LEU 520 CO 0.66 -2.20 0.39 -2.16 -1.33 0.00 0.00 177.39 172.75 1k2s s PRO 521 N -3.89 3.72 0.26 3.23 0.04 -1.26 -4.76 135.00 132.33 1k2s s PRO 521 Ca 0.69 0.33 -0.29 0.00 0.04 0.00 0.00 61.00 61.77 1k2s s PRO 521 Cb -0.28 -2.45 -0.09 0.00 0.04 0.00 0.00 34.50 31.72 1k2s s PRO 521 CO 0.55 -0.00 0.94 -0.51 0.04 0.00 0.00 177.00 178.02 1k2s s LEU 522 N -3.90 4.58 -0.32 -3.56 1.43 0.29 -4.88 118.68 112.33 1k2s s LEU 522 Ca 0.49 1.93 0.03 0.00 -1.03 0.00 0.00 54.13 55.55 1k2s s LEU 522 Cb -0.10 -3.70 0.09 0.00 0.03 0.00 0.00 46.19 42.51 1k2s s LEU 522 CO 0.33 0.11 0.02 -0.22 0.23 0.00 0.00 176.35 176.81 1k2s s LEU 523 N -1.38 4.13 -0.11 1.79 0.20 -1.25 -1.90 118.68 120.16 1k2s s LEU 523 Ca 0.43 -1.91 -0.02 0.00 0.69 0.00 0.00 54.13 53.32 1k2s s LEU 523 Cb -0.24 -1.51 -0.03 0.00 -0.43 0.00 0.00 46.19 43.98 1k2s s LEU 523 CO 0.30 -0.34 -0.02 -0.76 -0.29 0.00 0.00 176.35 175.24 1k2s s LEU 524 N 1.04 3.44 -0.17 -0.68 1.43 -0.34 -1.61 118.68 121.79 1k2s s LEU 524 Ca 0.06 0.03 -0.00 0.00 -1.03 0.00 0.00 54.13 53.19 1k2s s LEU 524 Cb -0.19 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.23 1k2s s LEU 524 CO -0.09 0.30 -0.14 -1.58 0.23 0.00 0.00 176.35 175.07 1k2s s GLN 525 N -0.40 3.23 0.04 1.70 0.74 -0.36 -0.47 119.66 124.14 1k2s s GLN 525 Ca 0.07 -0.73 0.08 0.00 0.05 0.00 0.00 55.36 54.83 1k2s s GLN 525 Cb -0.12 -2.69 -0.03 0.00 1.10 0.00 0.00 33.01 31.27 1k2s s GLN 525 CO 0.02 -0.04 -0.24 0.00 -0.55 0.00 0.00 175.29 174.48 1k2s s ALA 526 N 0.97 2.00 -0.82 1.58 0.00 -1.26 -1.11 121.76 123.13 1k2s s ALA 526 Ca -0.02 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.78 1k2s s ALA 526 Cb -0.15 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1k2s s ALA 526 CO -0.02 0.47 0.00 -1.71 0.00 0.00 0.00 175.76 174.49 1k2s n ASN 527 N 1.85 -2.54 0.00 0.00 2.85 -1.24 -0.68 115.26 115.50 1k2s n ASN 527 Ca -0.17 0.24 0.00 0.00 -0.11 0.00 0.00 54.58 54.54 1k2s n ASN 527 Cb 0.53 -2.39 0.00 0.00 1.24 0.00 0.00 39.78 39.15 1k2s n ASN 527 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1k2s n GLY 528 N -0.39 0.71 3.93 8.20 0.00 0.57 -4.37 105.19 113.84 1k2s n GLY 528 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 1k2s n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k2s s ASN 529 N -2.39 5.37 0.30 1.61 0.01 0.15 -4.88 114.94 115.11 1k2s s ASN 529 Ca 0.00 0.50 -0.29 0.00 -0.71 0.00 0.00 52.86 52.36 1k2s s ASN 529 Cb 0.00 -1.42 -0.13 0.00 0.41 0.00 0.00 41.25 40.11 1k2s s ASN 529 CO 0.00 -1.18 1.37 0.47 -1.51 0.00 0.00 177.10 176.25 1k2s n ASP 530 N -2.59 2.91 -4.70 -1.22 8.00 -1.26 -4.17 116.55 113.52 1k2s n ASP 530 Ca 0.06 1.18 -0.31 0.00 0.71 0.00 0.00 54.79 56.42 1k2s n ASP 530 Cb 0.59 -1.48 0.14 0.00 -0.02 0.00 0.00 41.12 40.35 1k2s n ASP 530 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1k2s s PRO 531 N -1.25 1.44 0.33 -0.24 0.04 -1.26 -4.74 135.00 129.32 1k2s s PRO 531 Ca 0.60 1.51 0.03 0.00 0.04 0.00 0.00 61.00 63.18 1k2s s PRO 531 Cb -0.58 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.12 1k2s s PRO 531 CO 0.57 -2.31 0.08 -1.21 0.04 0.00 0.00 177.00 174.16 1k2s s GLU 532 N -4.59 1.66 0.11 4.56 2.02 0.38 -4.87 118.70 117.97 1k2s s GLU 532 Ca 0.67 -1.94 0.06 0.00 0.02 0.00 0.00 54.97 53.78 1k2s s GLU 532 Cb -0.23 -0.72 -0.04 0.00 0.10 0.00 0.00 34.13 33.24 1k2s s GLU 532 CO 0.56 -0.26 -0.05 -0.51 0.02 0.00 0.00 175.26 175.02 1k2s s LEU 533 N -3.48 3.23 -0.17 1.80 1.43 -1.26 -1.20 118.68 119.03 1k2s s LEU 533 Ca 0.34 -0.31 -0.22 0.00 -1.03 0.00 0.00 54.13 52.91 1k2s s LEU 533 Cb 0.07 -1.99 0.06 0.00 0.03 0.00 0.00 46.19 44.37 1k2s s LEU 533 CO 0.15 0.16 0.59 -0.36 0.23 0.00 0.00 176.35 177.13 1k2s s PHE 534 N -1.32 -0.62 -0.20 0.29 0.40 -0.80 -4.98 117.98 110.76 1k2s s PHE 534 Ca 0.24 1.40 -0.09 0.00 -0.60 0.00 0.00 56.93 57.88 1k2s s PHE 534 Cb -0.11 0.25 -0.05 0.00 0.51 0.00 0.00 43.02 43.62 1k2s s PHE 534 CO 0.16 -0.38 0.12 -1.14 0.70 0.00 0.00 175.22 174.68 1k2s s GLN 535 N -0.12 4.12 0.34 0.44 0.74 -1.26 -0.54 119.66 123.39 1k2s s GLN 535 Ca -0.03 -0.26 -0.28 0.00 0.05 0.00 0.00 55.36 54.84 1k2s s GLN 535 Cb -0.03 -3.38 -0.10 0.00 1.10 0.00 0.00 33.01 30.60 1k2s s GLN 535 CO 0.03 0.27 1.26 0.42 -0.55 0.00 0.00 175.29 176.72 1k2s s ILE 536 N 0.43 2.85 -0.12 -2.34 1.01 -1.26 -4.86 121.20 116.91 1k2s s ILE 536 Ca 0.07 0.83 -0.30 0.00 0.00 0.00 0.00 60.65 61.24 1k2s s ILE 536 Cb -0.12 -3.51 -0.08 0.00 0.01 0.00 0.00 42.46 38.76 1k2s s ILE 536 CO -0.01 0.17 2.08 -2.65 0.00 0.00 0.00 174.94 174.54 1k2s n PRO 537 N 0.67 2.26 -0.35 2.79 -0.02 -1.26 -4.84 135.00 134.25 1k2s n PRO 537 Ca 0.01 0.75 0.11 0.00 -2.02 0.00 0.00 63.50 62.35 1k2s n PRO 537 Cb 0.43 -3.01 0.23 0.00 -0.02 0.00 0.00 33.50 31.14 1k2s n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1k2s h PRO 538 N 12.37 0.00 0.00 0.52 0.11 -1.95 0.89 132.00 143.93 1k2s h PRO 538 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1k2s h PRO 538 Cb 1.25 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1k2s h PRO 538 CO 0.96 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.90 1k2s n GLU 539 N -5.55 0.03 -0.01 1.05 0.00 -1.26 -0.67 120.64 114.23 1k2s n GLU 539 Ca 0.21 0.28 0.10 0.00 0.00 0.00 0.00 57.16 57.74 1k2s n GLU 539 Cb 0.67 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 30.46 1k2s n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1k2s n LEU 540 N -1.30 0.24 -4.42 -1.84 4.32 0.31 -4.80 117.00 109.52 1k2s n LEU 540 Ca 0.01 -0.13 -0.44 0.00 -0.02 0.00 0.00 56.01 55.43 1k2s n LEU 540 Cb 0.02 0.00 -0.03 0.00 -1.62 0.00 0.00 43.42 41.79 1k2s n LEU 540 CO 0.02 0.06 0.77 -0.69 -1.22 0.00 0.00 177.39 176.33 1k2s s VAL 541 N -3.29 4.82 0.08 4.08 1.01 0.15 -4.80 120.40 122.44 1k2s s VAL 541 Ca -0.04 -1.43 -0.31 0.00 0.00 0.00 0.00 61.98 60.20 1k2s s VAL 541 Cb 0.14 -4.67 -0.06 0.00 0.00 0.00 0.00 36.38 31.78 1k2s s VAL 541 CO 0.85 -1.37 1.29 -0.22 0.00 0.00 0.00 175.10 175.65 1k2s s LEU 542 N 2.51 4.36 0.17 3.92 2.96 -1.26 -4.99 118.68 126.36 1k2s s LEU 542 Ca 0.25 2.14 0.07 0.00 -0.22 0.00 0.00 54.13 56.37 1k2s s LEU 542 Cb -0.11 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1k2s s LEU 542 CO -0.04 -0.56 -0.13 -1.61 -1.32 0.00 0.00 176.35 172.69 1k2s s GLU 543 N 1.18 1.21 -0.14 1.98 2.02 -1.26 -1.30 118.70 122.38 1k2s s GLU 543 Ca 0.61 -1.49 -0.00 0.00 0.02 0.00 0.00 54.97 54.11 1k2s s GLU 543 Cb -0.32 -0.97 0.03 0.00 0.10 0.00 0.00 34.13 32.97 1k2s s GLU 543 CO 0.29 0.16 -0.07 0.08 0.02 0.00 0.00 175.26 175.75 1k2s s VAL 544 N -2.87 1.09 0.14 2.63 1.01 0.14 -4.86 120.40 117.67 1k2s s VAL 544 Ca 0.18 -0.47 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 1k2s s VAL 544 Cb -0.01 -1.18 -0.07 0.00 0.00 0.00 0.00 36.38 35.12 1k2s s VAL 544 CO 0.05 0.25 1.12 -2.16 0.00 0.00 0.00 175.10 174.36 1k2s s PRO 545 N 1.66 4.55 -0.13 2.72 0.04 -1.26 -1.15 135.00 141.43 1k2s s PRO 545 Ca 0.03 1.72 -0.17 0.00 0.04 0.00 0.00 61.00 62.61 1k2s s PRO 545 Cb -0.14 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.05 1k2s s PRO 545 CO -0.08 -0.02 0.43 0.42 0.04 0.00 0.00 177.00 177.79 1k2s s ILE 546 N 0.17 5.22 0.01 0.56 -1.09 0.16 -4.84 121.20 121.38 1k2s s ILE 546 Ca 0.52 0.85 -0.08 0.00 -2.23 0.00 0.00 60.65 59.71 1k2s s ILE 546 Cb -0.29 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 1k2s s ILE 546 CO 0.33 0.34 0.16 0.00 -1.23 0.00 0.00 174.94 174.54 1k2s s ARG 547 N 0.63 0.56 0.17 2.79 3.03 -1.26 -4.19 118.95 120.67 1k2s s ARG 547 Ca 0.23 -0.48 -0.15 0.00 2.03 0.00 0.00 55.73 57.36 1k2s s ARG 547 Cb -0.15 0.23 -0.07 0.00 -1.03 0.00 0.00 34.95 33.94 1k2s s ARG 547 CO 0.09 -0.15 0.58 -1.58 -1.13 0.00 0.00 175.30 173.11 1k2s s HIS 548 N -1.81 3.60 -1.68 5.89 2.46 -1.25 -4.38 115.29 118.12 1k2s s HIS 548 Ca -0.11 1.11 0.16 0.00 0.47 0.00 0.00 55.06 56.70 1k2s s HIS 548 Cb -0.05 -2.41 0.89 0.00 -0.13 0.00 0.00 32.58 30.88 1k2s s HIS 548 CO -0.00 0.40 1.43 -2.30 -2.47 0.00 0.00 174.74 171.80 1k2s n PRO 549 N 0.74 0.36 0.00 2.88 -0.02 -1.26 -3.70 135.00 133.99 1k2s n PRO 549 Ca -0.04 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 1k2s n PRO 549 Cb 0.52 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 1k2s n PRO 549 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1k2s n LYS 550 N -1.16 3.77 -3.36 -0.52 5.02 -1.26 -5.02 118.16 115.63 1k2s n LYS 550 Ca 0.10 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.94 1k2s n LYS 550 Cb 0.10 -0.31 -0.06 0.00 -0.02 0.00 0.00 35.03 34.74 1k2s n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1k2s s PHE 551 N 0.00 3.29 -1.74 2.13 2.99 -1.24 -4.90 117.98 118.50 1k2s s PHE 551 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 56.93 55.52 1k2s s PHE 551 Cb 0.00 -3.74 0.00 0.00 0.00 0.00 0.00 43.02 39.28 1k2s s PHE 551 CO 0.00 -1.02 0.83 -3.47 -0.00 0.00 0.00 175.22 171.56 1k2s n ASP 552 N 5.18 0.25 -0.00 1.36 -0.08 -1.26 -1.80 116.55 120.19 1k2s n ASP 552 Ca -0.13 -1.91 0.05 0.00 -1.51 0.00 0.00 54.79 51.30 1k2s n ASP 552 Cb 0.40 -0.13 -0.06 0.00 2.34 0.00 0.00 41.12 43.67 1k2s n ASP 552 CO 0.00 0.00 0.00 -2.67 0.12 0.00 0.00 177.20 174.65 1k2s n TRP 553 N -0.36 0.00 0.30 -0.67 4.27 -1.26 -4.58 117.44 115.14 1k2s n TRP 553 Ca 0.00 0.00 -0.16 0.00 -3.89 0.00 0.00 57.50 53.45 1k2s n TRP 553 Cb 0.06 -0.01 -0.08 0.00 -1.36 0.00 0.00 31.31 29.92 1k2s n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 1k2s h PHE 554 N 0.00 -0.69 -1.34 -2.67 3.57 -1.73 -2.32 116.94 111.76 1k2s h PHE 554 Ca 0.00 -0.02 0.39 0.00 3.53 0.00 0.00 57.97 61.87 1k2s h PHE 554 Cb 0.27 0.23 -0.07 0.00 2.79 0.00 0.00 35.95 39.17 1k2s h PHE 554 CO 0.00 -0.39 0.94 1.57 -2.23 0.00 0.00 178.31 178.20 1k2s h LYS 555 N -0.85 0.06 0.00 1.11 2.10 -1.75 1.13 116.57 118.38 1k2s h LYS 555 Ca -0.08 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.57 1k2s h LYS 555 Cb 0.61 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 1k2s h LYS 555 CO 0.13 0.04 0.00 -0.25 -2.00 0.00 0.00 179.45 177.37 1k2s n ASP 556 N -4.25 0.00 0.26 7.07 8.00 -0.87 -2.51 116.55 124.24 1k2s n ASP 556 Ca 0.31 -0.17 0.16 0.00 0.71 0.00 0.00 54.79 55.80 1k2s n ASP 556 Cb 1.37 -0.22 0.59 0.00 -0.02 0.00 0.00 41.12 42.84 1k2s n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1k2s h LEU 557 N 0.00 0.00 0.24 0.64 3.38 0.13 -3.47 115.31 116.23 1k2s h LEU 557 Ca 0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 1k2s h LEU 557 Cb 0.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.92 1k2s h LEU 557 CO 0.00 0.00 -0.18 0.61 0.09 0.00 0.00 178.44 178.96 1k2s n GLY 558 N 0.23 0.25 3.85 0.83 0.00 -1.04 -5.04 105.19 104.27 1k2s n GLY 558 Ca 0.01 -0.54 -0.37 0.00 0.00 0.00 0.00 46.02 45.13 1k2s n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2s s LEU 559 N -2.22 4.29 0.18 0.99 1.43 -1.26 -5.04 118.68 117.06 1k2s s LEU 559 Ca 0.06 0.43 -0.16 0.00 -1.03 0.00 0.00 54.13 53.44 1k2s s LEU 559 Cb -0.03 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.17 1k2s s LEU 559 CO 0.08 0.40 0.46 -1.59 0.23 0.00 0.00 176.35 175.94 1k2s s LYS 560 N -1.00 1.31 0.07 1.70 -2.85 -1.26 0.36 119.74 118.07 1k2s s LYS 560 Ca 0.15 -0.93 -0.17 0.00 -1.00 0.00 0.00 55.97 54.02 1k2s s LYS 560 Cb -0.12 0.49 0.03 0.00 -2.06 0.00 0.00 37.83 36.17 1k2s s LYS 560 CO 0.04 -0.54 0.40 -0.46 0.10 0.00 0.00 175.35 174.89 1k2s s TRP 561 N -3.89 -0.24 0.32 1.78 -0.11 -0.30 -4.90 118.94 111.60 1k2s s TRP 561 Ca 0.11 0.10 -0.27 0.00 1.22 0.00 0.00 56.10 57.26 1k2s s TRP 561 Cb 0.00 0.23 -0.09 0.00 -1.50 0.00 0.00 33.47 32.10 1k2s s TRP 561 CO -0.03 -0.61 0.99 1.52 -4.62 0.00 0.00 176.95 174.20 1k2s s TYR 562 N -2.94 3.62 -0.31 5.86 -0.85 -1.26 0.27 117.35 121.75 1k2s s TYR 562 Ca -0.02 1.76 0.22 0.00 -0.52 0.00 0.00 57.07 58.50 1k2s s TYR 562 Cb 0.00 -3.03 0.37 0.00 0.38 0.00 0.00 41.96 39.68 1k2s s TYR 562 CO -0.06 -0.06 1.61 0.78 -1.52 0.00 0.00 175.55 176.29 1k2s h GLY 563 N 3.25 0.00 -7.59 5.49 0.00 -1.53 -3.45 103.07 99.24 1k2s h GLY 563 Ca -0.47 0.00 -0.69 0.00 0.00 0.00 0.00 47.33 46.17 1k2s h GLY 563 CO 0.65 0.00 -0.50 -2.27 0.00 0.00 0.00 176.54 174.42 1k2s s LEU 564 N -6.30 4.58 -0.30 3.11 2.96 -1.26 -4.63 118.68 116.84 1k2s s LEU 564 Ca 0.06 -0.67 -0.19 0.00 -0.22 0.00 0.00 54.13 53.10 1k2s s LEU 564 Cb 0.06 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.66 1k2s s LEU 564 CO 0.68 -0.30 0.59 -2.16 -1.32 0.00 0.00 176.35 173.84 1k2s s PRO 565 N 1.65 3.92 -0.36 0.98 0.04 -1.26 -4.70 135.00 135.27 1k2s s PRO 565 Ca 0.05 0.27 -0.00 0.00 0.04 0.00 0.00 61.00 61.35 1k2s s PRO 565 Cb -0.18 -3.71 0.13 0.00 0.04 0.00 0.00 34.50 30.77 1k2s s PRO 565 CO 0.08 -0.52 0.20 0.00 0.04 0.00 0.00 177.00 176.80 1k2s s ALA 566 N 2.51 1.24 0.30 8.56 0.00 -1.26 -2.90 121.76 130.21 1k2s s ALA 566 Ca 0.24 -1.92 -0.30 0.00 0.00 0.00 0.00 51.96 49.98 1k2s s ALA 566 Cb -0.15 -1.65 -0.12 0.00 0.00 0.00 0.00 23.12 21.20 1k2s s ALA 566 CO 0.11 -2.00 1.56 0.28 0.00 0.00 0.00 175.76 175.72 1k2s n VAL 567 N 4.16 1.13 -0.71 0.00 0.31 -0.18 -0.94 118.33 122.10 1k2s n VAL 567 Ca 0.07 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.12 1k2s n VAL 567 Cb 0.37 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.39 1k2s n VAL 567 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1k2s n SER 568 N 1.96 0.32 -0.84 4.52 3.41 0.26 -1.21 113.62 122.04 1k2s n SER 568 Ca 0.08 -1.03 0.10 0.00 -0.26 0.00 0.00 58.87 57.76 1k2s n SER 568 Cb 0.36 0.00 0.12 0.00 -0.26 0.00 0.00 64.21 64.43 1k2s n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1k2s n ASN 569 N -0.02 2.82 -4.93 4.04 0.23 -1.20 -4.44 115.26 111.77 1k2s n ASN 569 Ca 0.00 -1.85 -0.26 0.00 -0.53 0.00 0.00 54.58 51.95 1k2s n ASN 569 Cb 0.20 -0.09 0.06 0.00 -2.08 0.00 0.00 39.78 37.88 1k2s n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 1k2s s MET 570 N -1.48 2.33 -0.08 -3.83 -1.94 -1.26 -4.39 119.30 108.64 1k2s s MET 570 Ca 0.26 -0.22 0.03 0.00 -1.71 0.00 0.00 55.69 54.06 1k2s s MET 570 Cb 0.17 -2.19 -0.01 0.00 2.01 0.00 0.00 34.83 34.81 1k2s s MET 570 CO 0.25 -1.13 -0.19 -1.17 -0.01 0.00 0.00 175.02 172.76 1k2s s LEU 571 N -5.19 2.39 -0.32 -0.03 2.96 -0.09 -4.42 118.68 113.98 1k2s s LEU 571 Ca 0.59 -0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 53.99 1k2s s LEU 571 Cb -0.11 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 1k2s s LEU 571 CO 0.45 0.23 0.18 -0.22 -1.32 0.00 0.00 176.35 175.66 1k2s s LEU 572 N -0.04 4.24 -0.30 -0.68 2.96 -0.90 -0.05 118.68 123.92 1k2s s LEU 572 Ca -0.05 -0.50 -0.12 0.00 -0.22 0.00 0.00 54.13 53.24 1k2s s LEU 572 Cb -0.14 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 1k2s s LEU 572 CO 0.05 -0.21 0.21 -0.70 -1.32 0.00 0.00 176.35 174.38 1k2s s GLU 573 N 1.65 3.77 -0.08 1.98 2.12 0.11 -1.36 118.70 126.89 1k2s s GLU 573 Ca 0.05 -0.45 0.02 0.00 0.36 0.00 0.00 54.97 54.95 1k2s s GLU 573 Cb -0.17 -3.71 0.01 0.00 0.26 0.00 0.00 34.13 30.52 1k2s s GLU 573 CO 0.08 -0.28 -0.13 0.42 -0.54 0.00 0.00 175.26 174.81 1k2s s ILE 574 N 1.74 1.21 -1.68 -3.70 1.01 -0.42 -1.45 121.20 117.91 1k2s s ILE 574 Ca 0.07 -0.50 -0.13 0.00 0.00 0.00 0.00 60.65 60.08 1k2s s ILE 574 Cb -0.17 -1.11 0.12 0.00 0.01 0.00 0.00 42.46 41.31 1k2s s ILE 574 CO 0.11 0.38 0.50 0.61 0.00 0.00 0.00 174.94 176.53 1k2s n GLY 575 N 3.98 -0.32 3.16 6.18 0.00 -1.26 0.18 105.19 117.11 1k2s n GLY 575 Ca -0.21 0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1k2s n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2s n GLY 576 N -1.65 2.95 3.78 -0.02 0.00 -1.26 -3.77 105.19 105.22 1k2s n GLY 576 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 1k2s n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k2s s LEU 577 N 0.00 4.24 -0.15 0.99 1.43 0.13 -5.03 118.68 120.28 1k2s s LEU 577 Ca 0.00 2.06 -0.00 0.00 -1.03 0.00 0.00 54.13 55.15 1k2s s LEU 577 Cb 0.00 -4.06 -0.01 0.00 0.03 0.00 0.00 46.19 42.15 1k2s s LEU 577 CO 0.00 -0.38 -0.13 -1.61 0.23 0.00 0.00 176.35 174.46 1k2s s GLU 578 N -2.25 3.30 -0.55 1.70 2.02 -1.26 -1.30 118.70 120.36 1k2s s GLU 578 Ca 0.54 -0.71 -0.03 0.00 0.02 0.00 0.00 54.97 54.80 1k2s s GLU 578 Cb -0.23 -2.68 0.14 0.00 0.10 0.00 0.00 34.13 31.46 1k2s s GLU 578 CO 0.30 0.06 0.36 -0.06 0.02 0.00 0.00 175.26 175.93 1k2s s PHE 579 N 0.73 3.47 0.29 1.61 0.40 -0.46 0.37 117.98 124.39 1k2s s PHE 579 Ca -0.06 -2.59 0.36 0.00 -0.60 0.00 0.00 56.93 54.04 1k2s s PHE 579 Cb -0.15 -3.22 1.86 0.00 0.51 0.00 0.00 43.02 42.02 1k2s s PHE 579 CO 0.02 -0.89 2.10 0.66 0.70 0.00 0.00 175.22 177.80 1k2s h SER 580 N 7.42 0.00 -3.34 1.36 4.64 -1.82 -2.38 113.55 119.42 1k2s h SER 580 Ca -0.06 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.73 1k2s h SER 580 Cb 0.99 0.00 -0.39 0.00 -0.31 0.00 0.00 62.40 62.69 1k2s h SER 580 CO 0.71 0.00 -0.77 0.00 -0.87 0.00 0.00 176.83 175.90 1k2s s ALA 581 N -3.87 1.21 -0.37 5.18 0.00 -1.18 -4.61 121.76 118.12 1k2s s ALA 581 Ca -0.03 -0.78 0.12 0.00 0.00 0.00 0.00 51.96 51.28 1k2s s ALA 581 Cb 0.10 -1.18 0.41 0.00 0.00 0.00 0.00 23.12 22.46 1k2s s ALA 581 CO 0.39 -1.05 1.16 0.00 0.00 0.00 0.00 175.76 176.25 1k2s n PRO 583 N -0.29 0.53 -4.20 0.00 -0.04 -1.18 -4.56 135.00 125.26 1k2s n PRO 583 Ca 0.04 0.19 -0.17 0.00 -0.04 0.00 0.00 63.50 63.52 1k2s n PRO 583 Cb 0.82 -1.57 -0.13 0.00 -0.04 0.00 0.00 33.50 32.58 1k2s n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1k2s s PHE 584 N -0.32 0.89 0.03 0.54 -0.12 -0.35 -1.26 117.98 117.39 1k2s s PHE 584 Ca 0.77 -0.36 -0.02 0.00 -0.05 0.00 0.00 56.93 57.26 1k2s s PHE 584 Cb -1.00 -0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 40.83 1k2s s PHE 584 CO 0.55 -0.01 0.02 -1.54 -0.05 0.00 0.00 175.22 174.18 1k2s s SER 585 N -1.14 0.26 0.00 1.98 1.04 -0.28 -1.01 113.70 114.56 1k2s s SER 585 Ca -0.03 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.81 1k2s s SER 585 Cb -0.08 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.21 1k2s s SER 585 CO 0.01 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1k2s n GLY 586 N 1.04 3.82 3.22 7.32 0.00 -1.14 -1.84 105.19 117.61 1k2s n GLY 586 Ca -0.20 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 1k2s n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1k2s s TRP 587 N 2.76 0.02 0.54 1.61 -2.14 -1.26 -4.48 118.94 115.99 1k2s s TRP 587 Ca 0.00 -0.29 -0.17 0.00 2.66 0.00 0.00 56.10 58.29 1k2s s TRP 587 Cb 0.00 0.02 -0.06 0.00 -3.10 0.00 0.00 33.47 30.33 1k2s s TRP 587 CO 0.00 -0.51 1.03 0.71 -2.66 0.00 0.00 176.95 175.52 1k2s s TYR 588 N -3.10 3.09 -0.16 1.66 1.51 -1.26 -4.93 117.35 114.15 1k2s s TYR 588 Ca -0.01 1.53 -0.05 0.00 -1.01 0.00 0.00 57.07 57.53 1k2s s TYR 588 Cb 0.01 -2.98 -0.03 0.00 -0.11 0.00 0.00 41.96 38.85 1k2s s TYR 588 CO -0.07 -0.85 0.00 1.41 -1.11 0.00 0.00 175.55 174.94 1k2s s MET 589 N -3.78 3.74 0.20 -0.62 -2.45 -1.26 -1.60 119.30 113.53 1k2s s MET 589 Ca 0.64 -0.44 -0.18 0.00 -1.25 0.00 0.00 55.69 54.46 1k2s s MET 589 Cb -0.15 -3.02 0.18 0.00 1.25 0.00 0.00 34.83 33.09 1k2s s MET 589 CO 0.30 0.29 1.41 0.41 1.05 0.00 0.00 175.02 178.48 1k2s n GLY 590 N 3.41 -1.94 0.44 2.11 0.00 0.40 -1.16 105.19 108.46 1k2s n GLY 590 Ca -0.17 1.02 0.24 0.00 0.00 0.00 0.00 46.02 47.11 1k2s n GLY 590 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1k2s h THR 591 N 0.00 0.26 0.16 2.61 1.35 -1.94 0.13 112.91 115.48 1k2s h THR 591 Ca 0.29 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 66.14 1k2s h THR 591 Cb 0.52 0.44 0.00 0.00 -1.73 0.00 0.00 68.15 67.38 1k2s h THR 591 CO -0.89 0.00 -0.08 -0.33 -0.25 0.00 0.00 175.52 173.97 1k2s h GLU 592 N 0.00 -0.20 0.00 4.72 5.08 -1.55 0.43 114.58 123.06 1k2s h GLU 592 Ca 0.31 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.66 1k2s h GLU 592 Cb 1.72 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 31.01 1k2s h GLU 592 CO -0.00 -0.12 -0.15 0.82 -1.00 0.00 0.00 179.01 178.56 1k2s h ILE 593 N -0.23 1.25 -0.24 3.13 2.04 -1.34 -1.08 117.51 121.05 1k2s h ILE 593 Ca -0.02 -1.99 0.04 0.00 1.00 0.00 0.00 64.86 63.88 1k2s h ILE 593 Cb 0.18 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 1k2s h ILE 593 CO 0.04 0.42 0.17 1.23 0.00 0.00 0.00 178.15 180.01 1k2s h GLY 594 N -1.00 0.19 0.00 5.37 0.00 -0.87 -1.39 103.07 105.36 1k2s h GLY 594 Ca -0.04 -0.07 -0.22 0.00 0.00 0.00 0.00 47.33 47.01 1k2s h GLY 594 CO -0.02 0.06 -1.63 -0.62 0.00 0.00 0.00 176.54 174.32 1k2s n VAL 595 N -4.49 1.10 -0.06 4.60 0.31 0.12 -4.33 118.33 115.57 1k2s n VAL 595 Ca 0.02 -0.12 -0.05 0.00 -0.01 0.00 0.00 64.34 64.18 1k2s n VAL 595 Cb 0.20 -1.83 -0.04 0.00 -0.91 0.00 0.00 33.84 31.26 1k2s n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1k2s h ARG 596 N -0.64 0.00 -0.12 5.55 2.47 -1.38 -2.66 114.38 117.59 1k2s h ARG 596 Ca -0.33 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.33 1k2s h ARG 596 Cb 1.19 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.50 1k2s h ARG 596 CO -0.20 0.26 -0.18 -0.44 0.56 0.00 0.00 179.97 179.97 1k2s h ASP 597 N -1.00 0.19 0.02 7.04 3.32 -1.19 -1.67 116.42 123.14 1k2s h ASP 597 Ca -0.02 -0.05 -0.36 0.00 0.02 0.00 0.00 57.03 56.62 1k2s h ASP 597 Cb 0.37 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 1k2s h ASP 597 CO -0.01 0.39 -2.01 -1.22 -1.72 0.00 0.00 179.24 174.67 1k2s n TYR 598 N -4.24 0.55 1.00 4.55 0.53 -0.53 -2.42 117.16 116.61 1k2s n TYR 598 Ca -0.01 0.19 0.11 0.00 -1.02 0.00 0.00 57.90 57.17 1k2s n TYR 598 Cb 0.30 -1.06 0.04 0.00 -1.03 0.00 0.00 39.34 37.59 1k2s n TYR 598 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1k2s s ASP 600 N -2.98 5.72 0.27 0.00 1.11 -0.63 -4.70 116.67 115.46 1k2s s ASP 600 Ca 0.10 2.86 -0.04 0.00 0.18 0.00 0.00 52.55 55.64 1k2s s ASP 600 Cb 0.17 -2.65 0.34 0.00 1.07 0.00 0.00 42.92 41.85 1k2s s ASP 600 CO 0.79 -1.28 1.93 -1.13 1.18 0.00 0.00 175.17 176.66 1k2s h ASN 601 N 2.09 1.05 -0.19 0.27 -1.24 -1.92 -2.10 115.58 113.54 1k2s h ASN 601 Ca -0.51 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.46 1k2s h ASN 601 Cb 1.27 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 40.06 1k2s h ASN 601 CO 0.60 0.78 0.00 -1.20 -1.29 0.00 0.00 177.43 176.32 1k2s n SER 602 N -4.38 2.22 0.00 1.15 7.64 -1.26 -4.48 113.62 114.51 1k2s n SER 602 Ca 0.10 -2.23 0.00 0.00 1.01 0.00 0.00 58.87 57.75 1k2s n SER 602 Cb 0.04 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.76 1k2s n SER 602 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1k2s n ARG 603 N 0.19 1.16 0.00 1.43 5.12 -0.80 -4.19 116.66 119.57 1k2s n ARG 603 Ca 0.08 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.10 1k2s n ARG 603 Cb 0.47 0.00 0.45 0.00 -1.16 0.00 0.00 32.46 32.22 1k2s n ARG 603 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1k2s n TYR 604 N 0.00 0.00 -2.86 -1.55 4.02 -1.02 -4.61 117.16 111.14 1k2s n TYR 604 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.77 1k2s n TYR 604 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 38.95 1k2s n TYR 604 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1k2s n ASN 605 N -1.37 -2.09 -0.89 7.72 5.15 -0.36 -4.86 115.26 118.55 1k2s n ASN 605 Ca 0.07 -0.35 0.09 0.00 -0.60 0.00 0.00 54.58 53.80 1k2s n ASN 605 Cb 0.18 -0.68 0.15 0.00 -0.53 0.00 0.00 39.78 38.91 1k2s n ASN 605 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 1k2s n ILE 606 N -1.15 0.43 -0.02 -1.44 -5.35 -0.77 -4.67 119.36 106.40 1k2s n ILE 606 Ca -0.12 -0.71 -0.09 0.00 -0.27 0.00 0.00 62.75 61.56 1k2s n ILE 606 Cb 0.30 1.01 -0.03 0.00 -1.74 0.00 0.00 39.64 39.18 1k2s n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1k2s h LEU 607 N 3.57 -0.32 -0.29 7.28 3.38 -1.88 -1.99 115.31 125.05 1k2s h LEU 607 Ca 0.00 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1k2s h LEU 607 Cb 0.83 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.67 1k2s h LEU 607 CO 0.00 -0.13 -0.54 -0.33 0.09 0.00 0.00 178.44 177.53 1k2s h GLU 608 N -0.10 -0.46 0.02 1.13 4.39 -1.99 0.12 114.58 117.70 1k2s h GLU 608 Ca 0.09 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.83 1k2s h GLU 608 Cb 0.24 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 1k2s h GLU 608 CO -0.22 -0.30 -0.23 0.93 -1.16 0.00 0.00 179.01 178.03 1k2s h GLU 609 N -0.47 -0.29 -1.04 2.33 5.08 -1.85 0.32 114.58 118.66 1k2s h GLU 609 Ca 0.06 0.02 0.27 0.00 -1.00 0.00 0.00 59.36 58.71 1k2s h GLU 609 Cb 0.63 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.86 1k2s h GLU 609 CO -0.53 -0.19 0.68 0.28 -1.00 0.00 0.00 179.01 178.25 1k2s h VAL 610 N -0.30 0.53 0.40 3.13 2.07 -1.18 -0.08 116.25 120.82 1k2s h VAL 610 Ca 0.00 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1k2s h VAL 610 Cb 0.31 0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1k2s h VAL 610 CO -0.14 0.06 -0.19 0.00 0.02 0.00 0.00 177.57 177.32 1k2s h ALA 611 N 1.60 -0.54 -0.35 1.67 0.00 0.10 -2.68 119.26 119.05 1k2s h ALA 611 Ca 0.58 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.38 1k2s h ALA 611 Cb 1.55 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 19.46 1k2s h ALA 611 CO -0.26 -0.57 -0.38 0.87 0.00 0.00 0.00 179.25 178.92 1k2s h LYS 612 N -1.02 -0.31 0.00 0.00 1.57 0.92 0.33 116.57 118.07 1k2s h LYS 612 Ca -0.06 0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1k2s h LYS 612 Cb 0.53 0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.91 1k2s h LYS 612 CO 0.09 -0.21 0.00 0.87 -0.57 0.00 0.00 179.45 179.64 1k2s h LYS 613 N -0.32 0.00 -0.00 3.15 1.57 -1.16 0.39 116.57 120.20 1k2s h LYS 613 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1k2s h LYS 613 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 1k2s h LYS 613 CO -0.53 0.00 -0.49 -1.33 -0.57 0.00 0.00 179.45 176.54 1k2s n MET 614 N -2.80 0.10 -3.35 3.15 2.81 0.10 -5.00 117.12 112.13 1k2s n MET 614 Ca -0.02 -0.06 -0.16 0.00 -1.81 0.00 0.00 57.70 55.65 1k2s n MET 614 Cb 0.07 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.09 1k2s n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1k2s n ASP 615 N -1.40 -6.44 -4.42 7.83 2.03 0.14 -5.02 116.55 109.27 1k2s n ASP 615 Ca 0.06 -0.29 -0.22 0.00 0.52 0.00 0.00 54.79 54.86 1k2s n ASP 615 Cb 0.34 -3.47 -0.10 0.00 -0.72 0.00 0.00 41.12 37.16 1k2s n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1k2s s LEU 616 N -3.84 2.58 -0.54 -2.67 1.02 -1.25 -5.06 118.68 108.92 1k2s s LEU 616 Ca 0.11 -1.04 -0.27 0.00 0.02 0.00 0.00 54.13 52.95 1k2s s LEU 616 Cb -0.02 -0.91 -0.03 0.00 0.02 0.00 0.00 46.19 45.25 1k2s s LEU 616 CO 0.82 -0.06 1.97 -0.62 0.02 0.00 0.00 176.35 178.48 1k2s s ASP 617 N -3.43 5.19 -0.17 2.29 3.68 -1.26 -4.78 116.67 118.19 1k2s s ASP 617 Ca 0.27 0.66 0.17 0.00 2.13 0.00 0.00 52.55 55.77 1k2s s ASP 617 Cb -0.03 -2.52 0.77 0.00 -1.45 0.00 0.00 42.92 39.69 1k2s s ASP 617 CO 0.12 -2.38 1.69 0.23 0.13 0.00 0.00 175.17 174.95 1k2s n MET 618 N 9.03 4.25 0.02 4.34 2.81 -1.26 -4.39 117.12 131.92 1k2s n MET 618 Ca 0.24 -3.02 -0.19 0.00 -1.81 0.00 0.00 57.70 52.93 1k2s n MET 618 Cb 0.52 -2.06 -0.12 0.00 -0.71 0.00 0.00 33.22 30.85 1k2s n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1k2s h ARG 619 N 4.07 0.39 -5.36 0.03 3.08 -2.04 -3.45 114.38 111.09 1k2s h ARG 619 Ca 0.00 -0.49 -0.56 0.00 0.07 0.00 0.00 59.98 59.01 1k2s h ARG 619 Cb 1.69 0.16 -0.31 0.00 0.08 0.00 0.00 29.97 31.58 1k2s h ARG 619 CO 0.34 1.17 -0.84 -1.59 -1.07 0.00 0.00 179.97 177.99 1k2s s LYS 620 N -2.95 1.68 0.36 0.04 -2.85 -1.26 -5.04 119.74 109.73 1k2s s LYS 620 Ca -0.13 -0.60 0.05 0.00 -1.00 0.00 0.00 55.97 54.28 1k2s s LYS 620 Cb 0.03 -1.50 0.72 0.00 -2.06 0.00 0.00 37.83 35.02 1k2s s LYS 620 CO 0.83 0.27 1.99 1.79 0.10 0.00 0.00 175.35 180.33 1k2s h THR 621 N 5.14 1.08 0.00 3.79 1.35 -1.90 -2.77 112.91 119.60 1k2s h THR 621 Ca -0.34 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1k2s h THR 621 Cb 1.17 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1k2s h THR 621 CO 0.48 0.14 0.00 -1.54 -0.25 0.00 0.00 175.52 174.35 1k2s n SER 622 N -4.46 0.00 -0.11 5.36 3.41 -1.26 0.31 113.62 116.86 1k2s n SER 622 Ca 0.08 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.82 1k2s n SER 622 Cb 0.14 -0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.34 1k2s n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1k2s n SER 623 N -0.97 0.80 -3.79 4.04 3.41 -1.05 -4.96 113.62 111.11 1k2s n SER 623 Ca 0.00 -0.60 -0.27 0.00 -0.26 0.00 0.00 58.87 57.74 1k2s n SER 623 Cb 0.00 0.29 0.04 0.00 -0.26 0.00 0.00 64.21 64.28 1k2s n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1k2s n LEU 624 N -1.13 -2.89 -0.25 1.04 4.77 0.15 -4.90 117.00 113.78 1k2s n LEU 624 Ca 0.08 -0.73 -0.04 0.00 -0.03 0.00 0.00 56.01 55.29 1k2s n LEU 624 Cb 0.35 -2.70 0.12 0.00 -2.33 0.00 0.00 43.42 38.85 1k2s n LEU 624 CO 0.32 0.50 1.08 4.11 -1.33 0.00 0.00 177.39 182.07 1k2s h TRP 625 N -2.19 1.11 -0.22 -1.77 5.08 -1.81 -1.26 115.95 114.88 1k2s h TRP 625 Ca -0.58 -0.06 -0.01 0.00 1.08 0.00 0.00 58.89 59.32 1k2s h TRP 625 Cb 1.37 -0.34 -0.01 0.00 -3.00 0.00 0.00 29.16 27.18 1k2s h TRP 625 CO 0.53 0.82 0.12 0.87 -1.28 0.00 0.00 178.44 179.50 1k2s h LYS 626 N 1.09 0.31 -0.82 0.12 1.57 -1.90 0.11 116.57 117.06 1k2s h LYS 626 Ca 0.26 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.04 1k2s h LYS 626 Cb 0.16 -0.06 -0.05 0.00 0.08 0.00 0.00 32.23 32.36 1k2s h LYS 626 CO -0.03 0.30 0.52 -0.44 -0.57 0.00 0.00 179.45 179.23 1k2s h ASP 627 N 0.25 0.85 -0.20 0.86 5.19 -1.87 -0.99 116.42 120.51 1k2s h ASP 627 Ca 0.08 -0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.47 1k2s h ASP 627 Cb 0.08 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.40 1k2s h ASP 627 CO -0.01 0.58 0.06 1.56 -3.12 0.00 0.00 179.24 178.31 1k2s h GLN 628 N 1.00 0.32 -0.56 3.56 4.20 -0.81 -2.88 115.11 119.95 1k2s h GLN 628 Ca 0.33 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.93 1k2s h GLN 628 Cb 0.04 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1k2s h GLN 628 CO -0.12 0.42 0.19 0.00 -0.67 0.00 0.00 178.83 178.64 1k2s h ALA 629 N 0.89 0.73 -0.30 3.87 0.00 -0.52 -3.13 119.26 120.79 1k2s h ALA 629 Ca 0.07 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.84 1k2s h ALA 629 Cb 0.23 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.76 1k2s h ALA 629 CO -0.00 0.38 0.02 1.25 0.00 0.00 0.00 179.25 180.90 1k2s h LEU 630 N 0.78 -0.08 -0.05 0.00 5.85 -1.15 -1.36 115.31 119.30 1k2s h LEU 630 Ca 0.18 0.06 0.03 0.00 0.84 0.00 0.00 57.88 59.00 1k2s h LEU 630 Cb 0.26 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 1k2s h LEU 630 CO -0.01 -0.01 -0.18 0.58 -0.34 0.00 0.00 178.44 178.49 1k2s h VAL 631 N 0.11 0.56 -0.30 1.05 2.07 -1.46 -0.14 116.25 118.15 1k2s h VAL 631 Ca 0.15 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.72 1k2s h VAL 631 Cb 0.18 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 1k2s h VAL 631 CO -0.23 0.00 -0.01 -0.33 0.02 0.00 0.00 177.57 177.02 1k2s h GLU 632 N -0.26 0.07 -0.71 1.57 4.39 -1.47 0.11 114.58 118.28 1k2s h GLU 632 Ca 0.07 -0.00 0.10 0.00 0.34 0.00 0.00 59.36 59.87 1k2s h GLU 632 Cb 0.36 -0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.95 1k2s h GLU 632 CO -0.20 0.05 0.47 0.82 -1.16 0.00 0.00 179.01 178.98 1k2s h ILE 633 N 0.07 0.91 0.00 3.13 2.04 -0.71 0.21 117.51 123.16 1k2s h ILE 633 Ca 0.14 -0.20 -0.15 0.00 1.00 0.00 0.00 64.86 65.66 1k2s h ILE 633 Cb 0.19 0.29 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 1k2s h ILE 633 CO -0.25 0.10 -0.70 0.78 0.00 0.00 0.00 178.15 178.08 1k2s h ASN 634 N 0.57 0.00 -0.39 1.72 4.21 0.40 -2.69 115.58 119.41 1k2s h ASN 634 Ca 0.33 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.81 1k2s h ASN 634 Cb 0.52 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.71 1k2s h ASN 634 CO -0.11 0.70 0.11 0.40 -1.29 0.00 0.00 177.43 177.24 1k2s h ILE 635 N 0.00 1.22 -0.47 2.81 1.08 0.18 -2.52 117.51 119.81 1k2s h ILE 635 Ca -0.01 -0.73 -0.01 0.00 -0.39 0.00 0.00 64.86 63.72 1k2s h ILE 635 Cb 1.38 0.97 -0.02 0.00 -3.07 0.00 0.00 36.82 36.08 1k2s h ILE 635 CO 0.09 0.26 0.26 0.00 -0.69 0.00 0.00 178.15 178.07 1k2s h ALA 636 N 0.95 0.60 -0.07 1.87 0.00 -0.76 -0.78 119.26 121.07 1k2s h ALA 636 Ca 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1k2s h ALA 636 Cb 0.28 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1k2s h ALA 636 CO -0.00 0.12 0.04 0.28 0.00 0.00 0.00 179.25 179.68 1k2s h VAL 637 N 0.62 1.11 -0.63 0.00 2.07 -1.40 0.12 116.25 118.14 1k2s h VAL 637 Ca 0.17 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1k2s h VAL 637 Cb 0.04 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 30.96 1k2s h VAL 637 CO -0.03 0.09 0.38 -0.07 0.02 0.00 0.00 177.57 177.97 1k2s h LEU 638 N 0.00 0.75 0.83 2.57 3.38 -1.37 -2.47 115.31 119.00 1k2s h LEU 638 Ca 0.03 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.90 1k2s h LEU 638 Cb 0.12 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1k2s h LEU 638 CO -0.00 0.59 -0.45 0.22 0.09 0.00 0.00 178.44 178.89 1k2s h TYR 639 N 0.85 -1.17 -0.39 1.13 3.20 -0.93 -1.98 116.97 117.68 1k2s h TYR 639 Ca 0.23 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.16 1k2s h TYR 639 Cb -0.03 0.40 -0.09 0.00 1.54 0.00 0.00 36.73 38.55 1k2s h TYR 639 CO -0.02 -0.69 -0.27 0.77 -1.64 0.00 0.00 178.16 176.31 1k2s h SER 640 N -1.17 -0.90 -0.78 -2.11 0.02 -0.93 0.28 113.55 107.96 1k2s h SER 640 Ca -0.11 0.17 0.08 0.00 -0.84 0.00 0.00 61.79 61.10 1k2s h SER 640 Cb 0.92 0.44 -0.05 0.00 0.14 0.00 0.00 62.40 63.85 1k2s h SER 640 CO 0.15 -0.29 0.51 -0.26 -1.14 0.00 0.00 176.83 175.80 1k2s h PHE 641 N -0.20 0.80 -0.04 3.45 -1.00 -1.39 -1.29 116.94 117.26 1k2s h PHE 641 Ca 0.18 0.02 -0.19 0.00 2.81 0.00 0.00 57.97 60.79 1k2s h PHE 641 Cb 0.50 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 1k2s h PHE 641 CO -0.49 0.40 -0.80 1.96 -1.61 0.00 0.00 178.31 177.76 1k2s h GLN 642 N 0.76 0.32 -0.33 1.51 4.20 -0.43 0.75 115.11 121.89 1k2s h GLN 642 Ca 0.35 -0.29 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 1k2s h GLN 642 Cb 0.35 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.19 1k2s h GLN 642 CO -0.13 0.96 -0.19 0.77 -0.67 0.00 0.00 178.83 179.58 1k2s h SER 643 N 0.20 0.61 -0.39 1.46 0.02 0.02 -2.39 113.55 113.09 1k2s h SER 643 Ca -0.04 -0.19 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1k2s h SER 643 Cb 1.39 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1k2s h SER 643 CO 0.13 0.80 0.00 0.47 -1.14 0.00 0.00 176.83 177.09 1k2s n ASP 644 N -4.14 2.35 -3.75 3.07 9.92 -0.59 -4.92 116.55 118.49 1k2s n ASP 644 Ca 0.00 -1.93 -0.25 0.00 -0.53 0.00 0.00 54.79 52.08 1k2s n ASP 644 Cb 0.38 -0.25 0.04 0.00 -0.64 0.00 0.00 41.12 40.66 1k2s n ASP 644 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1k2s n LYS 645 N 0.78 -5.97 -3.81 -1.24 5.02 -0.90 -4.97 118.16 107.07 1k2s n LYS 645 Ca 0.16 0.67 -0.36 0.00 -2.02 0.00 0.00 58.31 56.76 1k2s n LYS 645 Cb 0.39 -5.52 -0.13 0.00 -0.02 0.00 0.00 35.03 29.75 1k2s n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1k2s s VAL 646 N -3.41 3.76 0.25 -0.18 1.01 0.23 -4.26 120.40 117.80 1k2s s VAL 646 Ca 0.41 -0.66 -0.28 0.00 0.00 0.00 0.00 61.98 61.45 1k2s s VAL 646 Cb -0.20 -2.88 -0.15 0.00 0.00 0.00 0.00 36.38 33.14 1k2s s VAL 646 CO 0.80 0.17 0.71 0.41 0.00 0.00 0.00 175.10 177.19 1k2s n THR 647 N 4.83 1.96 -3.59 3.92 -1.04 -0.08 -4.45 114.28 115.84 1k2s n THR 647 Ca -0.15 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.05 61.28 1k2s n THR 647 Cb 0.49 -0.44 -0.04 0.00 -1.82 0.00 0.00 70.33 68.51 1k2s n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1k2s s ILE 648 N -1.06 0.00 0.06 12.58 2.07 -1.26 -4.62 121.20 128.97 1k2s s ILE 648 Ca 0.62 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.91 1k2s s ILE 648 Cb -0.81 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 40.75 1k2s s ILE 648 CO 0.58 0.00 -0.15 0.54 -1.91 0.00 0.00 174.94 173.99 1k2s s VAL 649 N -1.51 1.22 0.28 4.00 0.11 -0.63 -5.01 120.40 118.86 1k2s s VAL 649 Ca 0.04 -1.19 -0.06 0.00 -2.93 0.00 0.00 61.98 57.84 1k2s s VAL 649 Cb -0.01 -1.13 -0.05 0.00 -1.53 0.00 0.00 36.38 33.66 1k2s s VAL 649 CO -0.03 -0.07 0.55 1.51 -3.33 0.00 0.00 175.10 173.73 1k2s s ASP 650 N -1.45 6.47 0.60 3.54 -4.77 -1.26 -0.45 116.67 119.35 1k2s s ASP 650 Ca 0.01 0.74 0.29 0.00 -3.30 0.00 0.00 52.55 50.29 1k2s s ASP 650 Cb -0.09 -2.15 1.58 0.00 -1.09 0.00 0.00 42.92 41.17 1k2s s ASP 650 CO 0.02 -0.17 1.98 1.12 0.70 0.00 0.00 175.17 178.82 1k2s h HIS 651 N 1.83 0.00 0.11 2.11 2.07 -1.98 -0.94 115.15 118.35 1k2s h HIS 651 Ca -0.47 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.04 1k2s h HIS 651 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 1k2s h HIS 651 CO 0.58 0.00 -0.05 0.45 -3.07 0.00 0.00 177.93 175.84 1k2s h HIS 652 N 0.00 -0.14 0.16 6.12 3.86 -1.96 -2.64 115.15 120.56 1k2s h HIS 652 Ca 0.13 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1k2s h HIS 652 Cb 0.84 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 1k2s h HIS 652 CO 0.00 0.36 -0.13 0.77 0.86 0.00 0.00 177.93 179.79 1k2s h SER 653 N -0.87 -0.34 -0.52 2.45 0.02 -1.80 -1.96 113.55 110.52 1k2s h SER 653 Ca -0.01 0.03 0.08 0.00 -0.84 0.00 0.00 61.79 61.05 1k2s h SER 653 Cb 0.55 0.11 -0.07 0.00 0.14 0.00 0.00 62.40 63.14 1k2s h SER 653 CO 0.02 -0.21 0.13 0.00 -1.14 0.00 0.00 176.83 175.63 1k2s h ALA 654 N 0.51 0.60 -0.30 3.77 0.00 -1.31 -0.74 119.26 121.79 1k2s h ALA 654 Ca -0.00 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 1k2s h ALA 654 Cb 0.28 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1k2s h ALA 654 CO -0.02 -0.28 -0.36 1.79 0.00 0.00 0.00 179.25 180.38 1k2s h THR 655 N 0.27 1.29 -0.25 0.00 1.35 -1.40 -1.06 112.91 113.11 1k2s h THR 655 Ca 0.26 -1.52 -0.01 0.00 -0.55 0.00 0.00 66.41 64.59 1k2s h THR 655 Cb 0.34 1.44 -0.01 0.00 -1.73 0.00 0.00 68.15 68.19 1k2s h THR 655 CO -0.32 0.49 0.10 -0.08 -0.25 0.00 0.00 175.52 175.47 1k2s h GLU 656 N 0.57 0.37 -0.47 4.72 4.81 -0.88 -1.54 114.58 122.16 1k2s h GLU 656 Ca 0.06 -0.06 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1k2s h GLU 656 Cb 0.88 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 30.17 1k2s h GLU 656 CO 0.08 0.40 0.26 0.77 -0.73 0.00 0.00 179.01 179.79 1k2s h SER 657 N 0.26 0.40 -0.83 1.04 0.02 -1.03 -2.11 113.55 111.29 1k2s h SER 657 Ca 0.08 0.01 0.08 0.00 -0.84 0.00 0.00 61.79 61.13 1k2s h SER 657 Cb 0.16 -0.07 -0.07 0.00 0.14 0.00 0.00 62.40 62.57 1k2s h SER 657 CO -0.01 0.29 0.49 0.15 -1.14 0.00 0.00 176.83 176.61 1k2s h PHE 658 N 0.52 0.90 -0.16 3.45 3.57 -0.79 0.24 116.94 124.66 1k2s h PHE 658 Ca 0.20 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.75 1k2s h PHE 658 Cb 0.06 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.49 1k2s h PHE 658 CO -0.08 0.41 -0.03 0.82 -2.23 0.00 0.00 178.31 177.20 1k2s h ILE 659 N 0.86 0.86 -0.03 1.41 1.08 -0.65 0.58 117.51 121.63 1k2s h ILE 659 Ca 0.38 -0.01 0.02 0.00 -0.39 0.00 0.00 64.86 64.87 1k2s h ILE 659 Cb 0.27 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 34.84 1k2s h ILE 659 CO -0.21 0.00 -0.09 0.11 -0.69 0.00 0.00 178.15 177.27 1k2s h LYS 660 N 0.02 -0.14 -1.00 2.37 1.57 -0.73 -0.32 116.57 118.34 1k2s h LYS 660 Ca 0.08 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.91 1k2s h LYS 660 Cb 0.11 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.39 1k2s h LYS 660 CO -0.15 -0.09 0.65 1.25 -0.57 0.00 0.00 179.45 180.54 1k2s h HIS 661 N -0.14 1.22 -0.57 -1.35 2.76 -0.18 -1.32 115.15 115.57 1k2s h HIS 661 Ca 0.05 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.20 1k2s h HIS 661 Cb 0.20 -0.40 -0.02 0.00 1.55 0.00 0.00 27.41 28.74 1k2s h HIS 661 CO -0.17 0.69 0.18 1.98 -1.30 0.00 0.00 177.93 179.30 1k2s h MET 662 N 1.24 0.88 -0.34 5.26 -1.53 0.94 -0.59 114.93 120.79 1k2s h MET 662 Ca 0.40 -0.19 -0.04 0.00 -3.44 0.00 0.00 59.70 56.43 1k2s h MET 662 Cb 0.04 -0.13 -0.01 0.00 -0.55 0.00 0.00 31.60 30.95 1k2s h MET 662 CO -0.13 0.80 0.05 0.93 0.14 0.00 0.00 176.91 178.69 1k2s h GLU 663 N 0.79 0.57 0.15 0.39 5.08 -0.64 -2.57 114.58 118.36 1k2s h GLU 663 Ca 0.18 -0.16 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1k2s h GLU 663 Cb 0.29 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1k2s h GLU 663 CO -0.01 0.65 -0.34 -0.97 -1.00 0.00 0.00 179.01 177.35 1k2s h ASN 664 N 0.40 -0.97 -1.11 1.42 -0.73 -1.03 -1.85 115.58 111.70 1k2s h ASN 664 Ca 0.10 0.11 0.31 0.00 1.87 0.00 0.00 56.30 58.69 1k2s h ASN 664 Cb 0.37 0.36 -0.08 0.00 0.27 0.00 0.00 38.32 39.24 1k2s h ASN 664 CO 0.01 -0.43 0.74 -0.33 -0.37 0.00 0.00 177.43 177.05 1k2s h GLU 665 N -0.58 0.23 -0.16 6.67 4.39 -0.95 -0.04 114.58 124.14 1k2s h GLU 665 Ca 0.02 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 1k2s h GLU 665 Cb 0.60 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1k2s h GLU 665 CO -0.18 0.15 -0.27 1.88 -1.16 0.00 0.00 179.01 179.44 1k2s h TYR 666 N 0.24 0.58 -0.21 4.33 -1.99 -0.94 0.44 116.97 119.42 1k2s h TYR 666 Ca 0.61 -0.20 -0.03 0.00 2.00 0.00 0.00 58.73 61.11 1k2s h TYR 666 Cb 1.85 -0.11 -0.01 0.00 2.00 0.00 0.00 36.73 40.46 1k2s h TYR 666 CO -0.00 0.90 0.01 0.07 -0.00 0.00 0.00 178.16 179.14 1k2s h ARG 667 N 0.10 0.36 0.10 4.88 0.11 -0.68 0.22 114.38 119.46 1k2s h ARG 667 Ca 0.01 -0.11 -0.28 0.00 0.10 0.00 0.00 59.98 59.71 1k2s h ARG 667 Cb 0.85 -0.04 0.02 0.00 1.11 0.00 0.00 29.97 31.91 1k2s h ARG 667 CO 0.06 0.54 -1.18 0.00 0.10 0.00 0.00 179.97 179.49 1k2s n ARG 669 N -3.72 0.52 -0.70 0.00 0.63 0.14 -5.03 116.66 108.50 1k2s n ARG 669 Ca -0.11 -0.04 0.00 0.00 -0.92 0.00 0.00 57.85 56.78 1k2s n ARG 669 Cb 0.96 -1.12 0.00 0.00 0.45 0.00 0.00 32.46 32.75 1k2s n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1k2s n GLY 670 N 2.28 0.72 0.00 5.14 0.00 0.78 -4.52 105.19 109.58 1k2s n GLY 670 Ca -0.02 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.38 1k2s n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k2s n GLY 671 N -2.27 2.23 3.18 -0.02 0.00 -1.19 0.59 105.19 107.70 1k2s n GLY 671 Ca 0.00 -1.13 0.01 0.00 0.00 0.00 0.00 46.02 44.90 1k2s n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k2s n PRO 673 N 4.42 2.30 -3.72 0.00 -0.04 -1.26 -4.70 135.00 132.00 1k2s n PRO 673 Ca 0.10 0.82 -0.13 0.00 -0.04 0.00 0.00 63.50 64.26 1k2s n PRO 673 Cb 0.57 -2.55 -0.10 0.00 -0.04 0.00 0.00 33.50 31.38 1k2s n PRO 673 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k2s s ALA 674 N 0.26 -1.07 -0.51 0.55 0.00 -0.82 -4.20 121.76 115.95 1k2s s ALA 674 Ca 0.70 1.27 -0.19 0.00 0.00 0.00 0.00 51.96 53.74 1k2s s ALA 674 Cb -0.60 -0.75 0.06 0.00 0.00 0.00 0.00 23.12 21.84 1k2s s ALA 674 CO 0.45 -0.21 0.61 0.34 0.00 0.00 0.00 175.76 176.95 1k2s s ASP 675 N 0.42 6.21 0.21 0.00 -1.08 0.55 -3.90 116.67 119.08 1k2s s ASP 675 Ca -0.02 -1.01 -0.09 0.00 -0.52 0.00 0.00 52.55 50.91 1k2s s ASP 675 Cb -0.04 -2.28 0.24 0.00 -1.46 0.00 0.00 42.92 39.38 1k2s s ASP 675 CO -0.02 -0.90 1.82 -0.25 0.52 0.00 0.00 175.17 176.35 1k2s h TRP 676 N 8.99 0.74 -0.34 -5.34 7.01 -1.92 0.26 115.95 125.35 1k2s h TRP 676 Ca -0.28 0.02 0.10 0.00 2.11 0.00 0.00 58.89 60.84 1k2s h TRP 676 Cb 1.10 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.91 1k2s h TRP 676 CO 0.75 0.37 0.29 0.28 -2.79 0.00 0.00 178.44 177.34 1k2s h VAL 677 N 0.74 0.62 0.00 2.65 2.07 -1.92 -2.62 116.25 117.80 1k2s h VAL 677 Ca 0.30 0.00 -0.34 0.00 0.82 0.00 0.00 66.70 67.48 1k2s h VAL 677 Cb 0.16 0.79 -0.06 0.00 -1.52 0.00 0.00 31.29 30.65 1k2s h VAL 677 CO -0.17 0.00 -2.29 0.79 0.02 0.00 0.00 177.57 175.92 1k2s n TRP 678 N -4.10 0.00 0.03 1.57 7.02 -0.44 -4.61 117.44 116.90 1k2s n TRP 678 Ca 0.05 0.00 -0.12 0.00 -1.02 0.00 0.00 57.50 56.41 1k2s n TRP 678 Cb 0.45 -0.91 -0.08 0.00 -2.42 0.00 0.00 31.31 28.35 1k2s n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1k2s h ILE 679 N 0.00 1.12 -2.42 -0.99 1.08 -0.32 -3.43 117.51 112.56 1k2s h ILE 679 Ca -0.51 -0.41 -0.54 0.00 -0.39 0.00 0.00 64.86 63.00 1k2s h ILE 679 Cb 2.03 1.40 0.04 0.00 -3.07 0.00 0.00 36.82 37.22 1k2s h ILE 679 CO -0.01 0.11 1.10 0.52 -0.69 0.00 0.00 178.15 179.18 1k2s n VAL 680 N -5.01 0.40 -1.34 1.67 0.31 -1.01 -4.92 118.33 108.43 1k2s n VAL 680 Ca -0.08 -0.07 -0.35 0.00 -0.01 0.00 0.00 64.34 63.83 1k2s n VAL 680 Cb 0.11 -2.08 0.10 0.00 -0.91 0.00 0.00 33.84 31.06 1k2s n VAL 680 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1k2s n PRO 681 N 5.76 0.51 0.00 5.55 -0.02 -1.26 -4.88 135.00 140.65 1k2s n PRO 681 Ca 0.19 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 1k2s n PRO 681 Cb 0.36 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1k2s n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1k2s n PRO 682 N -2.36 0.84 -3.61 0.52 -0.04 -1.26 -4.31 135.00 124.78 1k2s n PRO 682 Ca 0.14 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.47 1k2s n PRO 682 Cb 0.49 -1.18 -0.06 0.00 -0.04 0.00 0.00 33.50 32.72 1k2s n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1k2s s MET 683 N -1.57 1.00 -0.79 0.54 0.23 -1.26 -4.90 119.30 112.55 1k2s s MET 683 Ca 0.00 -0.32 0.00 0.00 -1.03 0.00 0.00 55.69 54.34 1k2s s MET 683 Cb 0.00 0.45 0.00 0.00 -1.53 0.00 0.00 34.83 33.75 1k2s s MET 683 CO 0.00 -0.36 0.00 0.43 -2.03 0.00 0.00 175.02 173.06 1k2s n SER 684 N 0.38 -2.46 -0.24 -1.18 7.64 -1.26 -4.82 113.62 111.68 1k2s n SER 684 Ca -0.18 0.24 -0.06 0.00 1.01 0.00 0.00 58.87 59.88 1k2s n SER 684 Cb 0.60 -2.33 -0.06 0.00 -1.01 0.00 0.00 64.21 61.42 1k2s n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1k2s n GLY 685 N -0.38 -1.55 0.00 0.23 0.00 -1.26 -0.43 105.19 101.80 1k2s n GLY 685 Ca -0.09 0.69 0.10 0.00 0.00 0.00 0.00 46.02 46.72 1k2s n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k2s n SER 686 N -4.64 0.00 -1.49 1.61 3.41 -1.26 -2.64 113.62 108.61 1k2s n SER 686 Ca 0.01 -0.21 0.09 0.00 -0.26 0.00 0.00 58.87 58.50 1k2s n SER 686 Cb 0.15 -0.20 0.33 0.00 -0.26 0.00 0.00 64.21 64.23 1k2s n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1k2s n ILE 687 N -1.20 1.63 -4.20 -1.33 -5.35 0.43 -4.83 119.36 104.51 1k2s n ILE 687 Ca 0.12 -1.08 -0.30 0.00 -0.27 0.00 0.00 62.75 61.22 1k2s n ILE 687 Cb 0.14 0.12 -0.09 0.00 -1.74 0.00 0.00 39.64 38.07 1k2s n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1k2s s THR 688 N -1.76 3.58 0.31 7.28 -4.23 -1.08 -5.04 115.64 114.69 1k2s s THR 688 Ca 0.48 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.83 1k2s s THR 688 Cb 0.30 -2.68 0.15 0.00 1.34 0.00 0.00 72.50 71.61 1k2s s THR 688 CO 0.24 0.12 1.84 1.55 -0.54 0.00 0.00 174.62 177.83 1k2s h PRO 689 N 3.58 0.67 -0.06 3.99 0.13 -1.87 -3.16 132.00 135.28 1k2s h PRO 689 Ca -0.48 -0.15 0.02 0.00 -0.87 0.00 0.00 66.00 64.52 1k2s h PRO 689 Cb 1.17 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1k2s h PRO 689 CO 0.55 0.66 0.06 -0.39 -0.23 0.00 0.00 178.00 178.64 1k2s h VAL 690 N 0.64 0.58 -0.67 1.56 -1.51 -1.91 -2.45 116.25 112.50 1k2s h VAL 690 Ca 0.14 0.00 -0.01 0.00 -1.23 0.00 0.00 66.70 65.60 1k2s h VAL 690 Cb 0.33 0.95 -0.03 0.00 -2.13 0.00 0.00 31.29 30.41 1k2s h VAL 690 CO 0.01 0.00 0.39 0.15 -1.23 0.00 0.00 177.57 176.89 1k2s h PHE 691 N 0.00 0.91 -0.10 5.19 3.57 -1.76 -1.90 116.94 122.85 1k2s h PHE 691 Ca 0.03 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1k2s h PHE 691 Cb 0.15 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.59 1k2s h PHE 691 CO 0.00 0.63 0.00 0.72 -2.23 0.00 0.00 178.31 177.43 1k2s n HIS 692 N -4.54 0.12 -3.71 0.41 8.25 -0.93 -4.81 115.22 110.01 1k2s n HIS 692 Ca 0.05 -0.06 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1k2s n HIS 692 Cb 0.07 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.07 1k2s n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1k2s s GLN 693 N -1.88 3.91 0.43 -0.41 2.00 -0.71 -1.01 119.66 121.99 1k2s s GLN 693 Ca 0.26 -0.35 -0.23 0.00 -2.00 0.00 0.00 55.36 53.05 1k2s s GLN 693 Cb 0.13 -3.48 -0.09 0.00 0.80 0.00 0.00 33.01 30.38 1k2s s GLN 693 CO 0.21 -0.05 1.05 -1.21 -0.50 0.00 0.00 175.29 174.78 1k2s s GLU 694 N 1.33 4.04 0.04 1.67 2.02 -0.81 -4.98 118.70 122.01 1k2s s GLU 694 Ca 0.06 1.46 0.01 0.00 0.02 0.00 0.00 54.97 56.52 1k2s s GLU 694 Cb -0.15 -2.39 -0.03 0.00 0.10 0.00 0.00 34.13 31.67 1k2s s GLU 694 CO 0.06 -0.24 -0.05 -1.64 0.02 0.00 0.00 175.26 173.41 1k2s s MET 695 N -2.75 0.51 -0.17 1.61 -1.94 -1.26 -4.71 119.30 110.59 1k2s s MET 695 Ca 0.61 -0.91 0.01 0.00 -1.71 0.00 0.00 55.69 53.69 1k2s s MET 695 Cb -0.20 -0.01 0.01 0.00 2.01 0.00 0.00 34.83 36.64 1k2s s MET 695 CO 0.25 -0.04 -0.18 -0.51 -0.01 0.00 0.00 175.02 174.54 1k2s s LEU 696 N -2.09 2.30 -0.20 -0.03 1.43 -1.26 -4.95 118.68 113.87 1k2s s LEU 696 Ca -0.05 -0.57 -0.08 0.00 -1.03 0.00 0.00 54.13 52.41 1k2s s LEU 696 Cb -0.03 -1.52 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 1k2s s LEU 696 CO -0.03 0.04 0.08 0.21 0.23 0.00 0.00 176.35 176.87 1k2s s ASN 697 N 1.09 5.63 0.09 2.29 3.04 -1.25 -1.95 114.94 123.88 1k2s s ASN 697 Ca -0.00 0.04 -0.23 0.00 0.04 0.00 0.00 52.86 52.70 1k2s s ASN 697 Cb -0.14 -1.98 0.06 0.00 -1.54 0.00 0.00 41.25 37.65 1k2s s ASN 697 CO -0.06 0.12 0.57 -0.72 -3.04 0.00 0.00 177.10 173.96 1k2s s TYR 698 N 0.72 -0.48 -0.16 0.43 -0.85 -1.26 -4.97 117.35 110.77 1k2s s TYR 698 Ca 0.04 0.44 -0.10 0.00 -0.52 0.00 0.00 57.07 56.93 1k2s s TYR 698 Cb -0.13 0.44 -0.05 0.00 0.38 0.00 0.00 41.96 42.60 1k2s s TYR 698 CO 0.02 -0.74 0.18 1.03 -1.52 0.00 0.00 175.55 174.52 1k2s s ARG 699 N -3.00 4.00 0.02 -3.49 0.52 -1.26 -4.80 118.95 110.94 1k2s s ARG 699 Ca -0.02 -0.09 0.04 0.00 -0.52 0.00 0.00 55.73 55.14 1k2s s ARG 699 Cb -0.00 -3.35 -0.02 0.00 0.52 0.00 0.00 34.95 32.10 1k2s s ARG 699 CO -0.06 0.43 -0.13 -0.51 0.02 0.00 0.00 175.30 175.05 1k2s s LEU 700 N -0.05 2.13 0.19 2.53 1.43 -1.26 -3.11 118.68 120.53 1k2s s LEU 700 Ca 0.13 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.91 1k2s s LEU 700 Cb -0.12 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 1k2s s LEU 700 CO 0.02 0.05 0.08 0.42 0.23 0.00 0.00 176.35 177.15 1k2s s THR 701 N -0.69 4.10 1.03 5.49 -4.23 -1.26 -4.33 115.64 115.75 1k2s s THR 701 Ca 0.02 -1.33 -0.14 0.00 -1.18 0.00 0.00 61.69 59.06 1k2s s THR 701 Cb -0.07 -3.11 0.12 0.00 1.34 0.00 0.00 72.50 70.79 1k2s s THR 701 CO 0.01 -0.17 0.58 -2.65 -0.54 0.00 0.00 174.62 171.85 1k2s n PRO 702 N -0.44 -1.06 -3.43 3.99 -0.02 -1.26 -5.00 135.00 127.79 1k2s n PRO 702 Ca -0.09 -0.27 -0.12 0.00 -2.02 0.00 0.00 63.50 61.01 1k2s n PRO 702 Cb 0.56 -1.99 -0.02 0.00 -0.02 0.00 0.00 33.50 32.03 1k2s n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1k2s s SER 703 N -2.18 -0.55 -0.25 2.55 1.04 -0.53 -4.08 113.70 109.69 1k2s s SER 703 Ca 0.61 -0.01 -0.09 0.00 0.48 0.00 0.00 55.95 56.94 1k2s s SER 703 Cb -0.20 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.47 1k2s s SER 703 CO 0.65 -0.96 0.11 -0.36 0.98 0.00 0.00 173.24 173.66 1k2s s PHE 704 N -3.73 3.16 0.41 5.02 0.40 -1.26 0.08 117.98 122.07 1k2s s PHE 704 Ca 0.01 -0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.26 1k2s s PHE 704 Cb -0.01 -2.27 -0.07 0.00 0.51 0.00 0.00 43.02 41.18 1k2s s PHE 704 CO -0.13 -0.22 0.05 -1.21 0.70 0.00 0.00 175.22 174.41 1k2s s GLU 705 N 1.51 2.02 0.57 0.44 0.41 0.93 -4.92 118.70 119.66 1k2s s GLU 705 Ca 0.06 -2.06 -0.02 0.00 -0.41 0.00 0.00 54.97 52.54 1k2s s GLU 705 Cb -0.15 -1.71 0.03 0.00 -1.78 0.00 0.00 34.13 30.51 1k2s s GLU 705 CO 0.06 -0.07 0.83 0.71 -0.49 0.00 0.00 175.26 176.29 1k2s s TYR 706 N -2.69 3.04 0.02 1.61 4.12 -1.26 -0.91 117.35 121.28 1k2s s TYR 706 Ca 0.36 0.28 -0.22 0.00 0.02 0.00 0.00 57.07 57.50 1k2s s TYR 706 Cb 0.08 -2.74 0.05 0.00 -1.52 0.00 0.00 41.96 37.84 1k2s s TYR 706 CO 0.19 -0.85 0.50 1.14 0.02 0.00 0.00 175.55 176.54 1k2s s GLN 707 N -4.86 0.97 0.58 -0.62 -2.07 -1.26 -4.69 119.66 107.71 1k2s s GLN 707 Ca 0.55 -0.18 -0.19 0.00 -1.82 0.00 0.00 55.36 53.72 1k2s s GLN 707 Cb -0.10 0.44 -0.05 0.00 -1.09 0.00 0.00 33.01 32.21 1k2s s GLN 707 CO 0.41 -0.33 1.03 -2.30 -1.32 0.00 0.00 175.29 172.78 1k2s n PRO 708 N 0.60 1.03 -1.83 9.60 -0.02 -1.26 -4.88 135.00 138.25 1k2s n PRO 708 Ca -0.19 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 1k2s n PRO 708 Cb 0.59 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.83 1k2s n PRO 708 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1k2s s ASP 709 N -1.18 6.44 0.55 2.55 1.01 -1.26 -4.88 116.67 119.90 1k2s s ASP 709 Ca 0.75 2.86 0.23 0.00 0.71 0.00 0.00 52.55 57.10 1k2s s ASP 709 Cb -0.43 -2.63 1.49 0.00 1.01 0.00 0.00 42.92 42.37 1k2s s ASP 709 CO 0.48 -0.87 2.14 1.55 0.21 0.00 0.00 175.17 178.67 1k2s h PRO 710 N 5.22 0.00 0.00 8.23 0.13 -1.92 -1.89 132.00 141.77 1k2s h PRO 710 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1k2s h PRO 710 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1k2s h PRO 710 CO 0.82 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.92 1k2s n TRP 711 N -4.21 0.36 1.03 1.56 2.14 -1.26 -0.77 117.44 116.28 1k2s n TRP 711 Ca -0.00 0.12 0.12 0.00 2.07 0.00 0.00 57.50 59.81 1k2s n TRP 711 Cb 0.22 -0.70 0.10 0.00 -0.81 0.00 0.00 31.31 30.12 1k2s n TRP 711 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1k2s n ASN 712 N -1.81 2.68 0.00 -0.67 5.03 -0.71 -4.52 115.26 115.25 1k2s n ASN 712 Ca 0.05 -1.85 0.00 0.00 0.87 0.00 0.00 54.58 53.65 1k2s n ASN 712 Cb 0.28 0.11 0.00 0.00 -1.02 0.00 0.00 39.78 39.16 1k2s n ASN 712 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 1k2s n THR 713 N 0.95 0.00 -1.75 3.41 -2.24 -0.98 -5.03 114.28 108.64 1k2s n THR 713 Ca 0.13 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.49 1k2s n THR 713 Cb 0.55 0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.79 1k2s n THR 713 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1k2s n HIS 714 N -0.91 2.76 -3.38 4.78 -0.00 0.05 -4.95 115.22 113.57 1k2s n HIS 714 Ca 0.00 0.44 -0.46 0.00 -0.00 0.00 0.00 57.72 57.70 1k2s n HIS 714 Cb 0.08 -2.51 -0.03 0.00 -0.00 0.00 0.00 29.99 27.53 1k2s n HIS 714 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1k2s s VAL 715 N -0.85 5.38 0.81 3.57 1.01 -1.26 -5.04 120.40 124.02 1k2s s VAL 715 Ca 0.56 -2.57 -0.14 0.00 0.00 0.00 0.00 61.98 59.83 1k2s s VAL 715 Cb -0.51 -4.33 0.02 0.00 0.00 0.00 0.00 36.38 31.56 1k2s s VAL 715 CO 0.60 -1.01 0.75 0.79 0.00 0.00 0.00 175.10 176.23 1k2s n TRP 716 N 3.86 -0.17 0.09 5.22 7.02 -1.26 -4.94 117.44 127.26 1k2s n TRP 716 Ca 0.14 0.34 0.01 0.00 -1.02 0.00 0.00 57.50 56.97 1k2s n TRP 716 Cb 0.46 -1.96 0.01 0.00 -2.42 0.00 0.00 31.31 27.40 1k2s n TRP 716 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30