#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zzu s PHE 300 N 0.00 0.96 -0.08 -0.14 0.40 -1.26 -4.75 117.98 113.10 1zzu s PHE 300 Ca 0.00 -0.29 0.04 0.00 -0.60 0.00 0.00 56.93 56.09 1zzu s PHE 300 Cb 0.00 -0.75 -0.00 0.00 0.51 0.00 0.00 43.02 42.78 1zzu s PHE 300 CO 0.00 -0.18 -0.22 -0.51 0.70 0.00 0.00 175.22 175.01 1zzu s LEU 301 N 0.63 2.00 0.03 -0.37 1.43 -0.98 -4.95 118.68 116.47 1zzu s LEU 301 Ca -0.10 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.53 1zzu s LEU 301 Cb -0.13 -1.26 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 1zzu s LEU 301 CO 0.01 0.15 0.04 -0.54 0.23 0.00 0.00 176.35 176.25 1zzu s LYS 302 N 0.27 2.86 0.02 1.70 1.02 -1.26 0.12 119.74 124.46 1zzu s LYS 302 Ca -0.14 -0.62 0.06 0.00 0.02 0.00 0.00 55.97 55.29 1zzu s LYS 302 Cb -0.16 -2.72 -0.02 0.00 -0.52 0.00 0.00 37.83 34.41 1zzu s LYS 302 CO 0.06 0.61 -0.19 0.14 -0.92 0.00 0.00 175.35 175.05 1zzu s VAL 303 N -1.22 1.49 0.05 3.17 -7.23 -0.11 -4.96 120.40 111.59 1zzu s VAL 303 Ca 0.24 -0.98 0.08 0.00 -1.81 0.00 0.00 61.98 59.51 1zzu s VAL 303 Cb -0.12 -1.27 -0.03 0.00 0.56 0.00 0.00 36.38 35.52 1zzu s VAL 303 CO 0.15 0.27 -0.23 -0.75 -0.31 0.00 0.00 175.10 174.23 1zzu s LYS 304 N -0.83 1.48 -0.33 4.82 2.20 -1.26 -0.51 119.74 125.31 1zzu s LYS 304 Ca 0.06 -1.03 -0.11 0.00 -0.36 0.00 0.00 55.97 54.54 1zzu s LYS 304 Cb -0.08 -1.65 -0.01 0.00 -1.51 0.00 0.00 37.83 34.58 1zzu s LYS 304 CO 0.01 0.42 0.19 1.21 -0.36 0.00 0.00 175.35 176.81 1zzu s ASN 305 N -1.30 5.75 0.00 1.43 3.84 -0.50 -1.93 114.94 122.23 1zzu s ASN 305 Ca 0.09 -0.54 0.18 0.00 0.21 0.00 0.00 52.86 52.81 1zzu s ASN 305 Cb -0.09 -2.05 0.90 0.00 -0.55 0.00 0.00 41.25 39.46 1zzu s ASN 305 CO 0.02 -0.23 1.55 0.79 -2.79 0.00 0.00 177.10 176.45 1zzu n TRP 306 N 5.03 0.00 -0.08 0.43 7.02 -0.53 0.87 117.44 130.18 1zzu n TRP 306 Ca -0.13 0.00 -0.17 0.00 -1.02 0.00 0.00 57.50 56.18 1zzu n TRP 306 Cb 0.49 -0.30 -0.13 0.00 -2.42 0.00 0.00 31.31 28.94 1zzu n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1zzu n GLU 307 N -1.30 0.68 -0.00 -0.99 4.07 -1.26 -4.59 120.64 117.25 1zzu n GLU 307 Ca 0.08 0.16 0.07 0.00 -0.06 0.00 0.00 57.16 57.41 1zzu n GLU 307 Cb 0.15 -1.59 -0.09 0.00 -0.06 0.00 0.00 31.44 29.85 1zzu n GLU 307 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1zzu n THR 308 N -3.21 0.00 -0.83 6.31 -2.24 -1.15 -4.99 114.28 108.18 1zzu n THR 308 Ca -0.38 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 1zzu n THR 308 Cb 1.04 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 70.07 1zzu n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1zzu n ASP 309 N -1.51 -2.24 -4.74 3.42 10.43 0.25 -4.96 116.55 117.20 1zzu n ASP 309 Ca 0.01 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.96 1zzu n ASP 309 Cb 0.27 -1.96 -0.02 0.00 1.84 0.00 0.00 41.12 41.25 1zzu n ASP 309 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1zzu s VAL 310 N -1.77 2.68 -0.06 2.53 1.01 -1.24 -4.74 120.40 118.82 1zzu s VAL 310 Ca 0.00 0.56 0.05 0.00 0.00 0.00 0.00 61.98 62.59 1zzu s VAL 310 Cb 0.00 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 1zzu s VAL 310 CO 0.00 0.08 -0.21 -0.69 0.00 0.00 0.00 175.10 174.29 1zzu s VAL 311 N 0.17 2.46 0.12 2.92 1.01 -1.26 -1.41 120.40 124.41 1zzu s VAL 311 Ca 0.61 -0.93 0.11 0.00 0.00 0.00 0.00 61.98 61.77 1zzu s VAL 311 Cb -0.42 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1zzu s VAL 311 CO 0.41 0.57 -0.27 -0.76 0.00 0.00 0.00 175.10 175.06 1zzu s LEU 312 N -0.30 2.32 -0.14 3.92 1.43 0.33 -4.96 118.68 121.28 1zzu s LEU 312 Ca 0.01 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.37 1zzu s LEU 312 Cb -0.13 -1.24 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 1zzu s LEU 312 CO 0.03 0.19 -0.11 -0.89 0.23 0.00 0.00 176.35 175.79 1zzu s THR 313 N -1.04 3.18 -0.19 5.49 2.01 -1.26 -0.93 115.64 122.89 1zzu s THR 313 Ca 0.14 -0.61 -0.07 0.00 0.31 0.00 0.00 61.69 61.46 1zzu s THR 313 Cb -0.10 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 1zzu s THR 313 CO 0.06 0.51 0.05 -0.62 -0.69 0.00 0.00 174.62 173.92 1zzu s ASP 314 N 0.50 5.35 0.00 3.53 -1.08 0.31 -4.67 116.67 120.61 1zzu s ASP 314 Ca -0.08 -0.03 0.00 0.00 -0.52 0.00 0.00 52.55 51.92 1zzu s ASP 314 Cb -0.15 -1.92 0.00 0.00 -1.46 0.00 0.00 42.92 39.39 1zzu s ASP 314 CO 0.04 0.12 0.00 0.35 0.52 0.00 0.00 175.17 176.20 1zzu n THR 315 N 3.87 0.00 0.23 1.71 -2.24 0.88 -2.31 114.28 116.43 1zzu n THR 315 Ca -0.17 -0.05 0.10 0.00 -2.27 0.00 0.00 64.05 61.67 1zzu n THR 315 Cb 0.52 0.55 0.68 0.00 -2.10 0.00 0.00 70.33 69.98 1zzu n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1zzu h LEU 316 N 0.00 0.00 -2.51 3.22 5.85 -1.36 -2.33 115.31 118.18 1zzu h LEU 316 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.73 1zzu h LEU 316 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1zzu h LEU 316 CO 0.00 0.00 0.14 1.12 -0.34 0.00 0.00 178.44 179.36 1zzu h HIS 317 N 0.00 0.00 0.00 1.25 2.07 -1.84 -0.64 115.15 116.00 1zzu h HIS 317 Ca 0.03 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.53 1zzu h HIS 317 Cb 0.14 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.11 1zzu h HIS 317 CO 0.00 0.00 -0.10 -0.07 -3.07 0.00 0.00 177.93 174.69 1zzu h LEU 318 N 0.00 0.00 -0.72 6.12 3.38 -1.78 -1.85 115.31 120.46 1zzu h LEU 318 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1zzu h LEU 318 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1zzu h LEU 318 CO -0.00 0.10 0.00 0.29 0.09 0.00 0.00 178.44 178.92 1zzu n LYS 319 N -3.40 1.49 -2.54 1.13 4.76 -0.25 -4.88 118.16 114.47 1zzu n LYS 319 Ca -0.01 -0.72 -0.41 0.00 -2.87 0.00 0.00 58.31 54.30 1zzu n LYS 319 Cb 0.27 -1.44 -0.04 0.00 -1.84 0.00 0.00 35.03 31.98 1zzu n LYS 319 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1zzu s SER 320 N -1.84 7.27 -0.01 4.39 0.15 -0.70 -4.91 113.70 118.05 1zzu s SER 320 Ca 0.37 2.01 -0.04 0.00 0.70 0.00 0.00 55.95 58.99 1zzu s SER 320 Cb 0.19 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.89 1zzu s SER 320 CO 0.31 -0.24 -0.09 0.41 1.20 0.00 0.00 173.24 174.82 1zzu n THR 321 N 2.80 0.96 -1.11 6.45 -1.04 -1.24 -5.05 114.28 116.04 1zzu n THR 321 Ca 0.04 0.17 -0.35 0.00 -2.04 0.00 0.00 64.05 61.88 1zzu n THR 321 Cb 0.47 -1.71 0.10 0.00 -1.82 0.00 0.00 70.33 67.36 1zzu n THR 321 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1zzu n LEU 322 N -3.58 1.46 -4.91 -4.42 4.77 -1.26 -5.00 117.00 104.05 1zzu n LEU 322 Ca -0.08 0.53 -0.27 0.00 -0.03 0.00 0.00 56.01 56.16 1zzu n LEU 322 Cb 0.31 -1.29 0.01 0.00 -2.33 0.00 0.00 43.42 40.12 1zzu n LEU 322 CO 0.04 -2.89 0.47 -1.61 -1.33 0.00 0.00 177.39 172.06 1zzu s GLU 323 N -3.30 3.31 -0.18 3.23 2.02 -1.26 -4.62 118.70 117.90 1zzu s GLU 323 Ca 0.65 0.10 0.13 0.00 0.02 0.00 0.00 54.97 55.87 1zzu s GLU 323 Cb -0.30 -2.35 -0.20 0.00 0.10 0.00 0.00 34.13 31.38 1zzu s GLU 323 CO 0.59 -0.38 0.01 0.25 0.02 0.00 0.00 175.26 175.75 1zzu n THR 324 N -2.36 1.22 0.00 3.63 -2.24 -1.26 -4.86 114.28 108.41 1zzu n THR 324 Ca 0.02 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 1zzu n THR 324 Cb 0.56 -0.69 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1zzu n THR 324 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1zzu n GLY 325 N 2.02 2.20 3.93 3.38 0.00 -1.26 -4.90 105.19 110.57 1zzu n GLY 325 Ca -0.31 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 1zzu n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zzu s THR 327 N -2.85 0.00 -0.63 0.00 -4.23 -0.02 -4.98 115.64 102.93 1zzu s THR 327 Ca 0.53 -1.77 0.16 0.00 -1.18 0.00 0.00 61.69 59.43 1zzu s THR 327 Cb -0.10 -2.55 0.16 0.00 1.34 0.00 0.00 72.50 71.35 1zzu s THR 327 CO 0.42 0.00 1.50 -0.62 -0.54 0.00 0.00 174.62 175.39 1zzu n GLU 328 N -0.53 0.10 0.00 3.99 4.71 -1.26 -2.56 120.64 125.08 1zzu n GLU 328 Ca 0.03 0.46 0.04 0.00 -0.01 0.00 0.00 57.16 57.68 1zzu n GLU 328 Cb 0.62 -1.74 -0.03 0.00 -1.01 0.00 0.00 31.44 29.28 1zzu n GLU 328 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1zzu n HIS 329 N -1.93 0.00 -3.68 -0.32 8.25 -1.26 -5.03 115.22 111.25 1zzu n HIS 329 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 1zzu n HIS 329 Cb 0.12 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.15 1zzu n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1zzu s ILE 330 N -1.59 -0.00 -0.17 1.59 2.07 -1.06 -5.14 121.20 116.89 1zzu s ILE 330 Ca 0.05 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.24 1zzu s ILE 330 Cb 0.07 -0.78 -0.03 0.00 0.13 0.00 0.00 42.46 41.85 1zzu s ILE 330 CO 0.30 0.00 -0.02 0.00 -1.91 0.00 0.00 174.94 173.31 1zzu n MET 332 N 3.78 2.08 0.27 0.00 0.00 -1.26 -4.77 117.12 117.22 1zzu n MET 332 Ca -0.17 -3.10 0.17 0.00 0.00 0.00 0.00 57.70 54.60 1zzu n MET 332 Cb 0.52 -1.84 0.83 0.00 0.00 0.00 0.00 33.22 32.74 1zzu n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1zzu h GLY 333 N 1.16 0.00 -1.73 3.03 0.00 -1.94 -1.48 103.07 102.10 1zzu h GLY 333 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1zzu h GLY 333 CO 0.39 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.79 1zzu n SER 334 N -3.18 3.08 -4.71 0.19 3.41 -1.26 -4.83 113.62 106.32 1zzu n SER 334 Ca 0.00 -1.91 -0.42 0.00 -0.26 0.00 0.00 58.87 56.29 1zzu n SER 334 Cb 0.41 -0.24 -0.03 0.00 -0.26 0.00 0.00 64.21 64.08 1zzu n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1zzu s ILE 335 N -1.11 4.87 0.09 -1.33 -1.09 -0.56 -4.96 121.20 117.10 1zzu s ILE 335 Ca 0.30 2.00 -0.17 0.00 -2.23 0.00 0.00 60.65 60.55 1zzu s ILE 335 Cb 0.17 -4.29 -0.08 0.00 -1.58 0.00 0.00 42.46 36.67 1zzu s ILE 335 CO 0.23 0.14 1.49 0.58 -1.23 0.00 0.00 174.94 176.15 1zzu h VAL 336 N 4.85 1.28 -2.75 2.92 2.07 -1.92 -3.37 116.25 119.33 1zzu h VAL 336 Ca -0.39 -1.08 -0.61 0.00 0.82 0.00 0.00 66.70 65.44 1zzu h VAL 336 Cb 1.21 1.42 -0.41 0.00 -1.52 0.00 0.00 31.29 31.99 1zzu h VAL 336 CO 0.77 0.34 -0.71 0.18 0.02 0.00 0.00 177.57 178.16 1zzu n LEU 337 N -4.52 1.95 -0.02 2.57 4.77 -1.26 -5.15 117.00 115.35 1zzu n LEU 337 Ca -0.03 -4.97 0.07 0.00 -0.03 0.00 0.00 56.01 51.04 1zzu n LEU 337 Cb 0.31 -0.31 0.46 0.00 -2.33 0.00 0.00 43.42 41.54 1zzu n LEU 337 CO 0.40 1.83 1.17 -0.65 -1.33 0.00 0.00 177.39 178.80 1zzu h PRO 338 N 5.28 0.47 -1.94 3.23 0.11 -1.91 -3.54 132.00 133.70 1zzu h PRO 338 Ca 0.19 -0.03 -0.26 0.00 0.11 0.00 0.00 66.00 66.01 1zzu h PRO 338 Cb 0.79 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.79 1zzu h PRO 338 CO 0.62 0.31 0.38 1.55 -0.21 0.00 0.00 178.00 180.65 1zzu n VAL 348 N -4.48 0.00 -2.01 3.15 3.14 -1.26 -4.97 118.33 111.90 1zzu n VAL 348 Ca 0.05 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.14 1zzu n VAL 348 Cb 0.16 -0.16 0.18 0.00 -1.06 0.00 0.00 33.84 32.96 1zzu n VAL 348 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 1zzu s ARG 349 N 1.73 0.68 0.11 1.45 0.52 -1.26 -5.10 118.95 117.08 1zzu s ARG 349 Ca 0.38 -0.53 0.09 0.00 -0.52 0.00 0.00 55.73 55.15 1zzu s ARG 349 Cb -0.49 -1.90 -0.04 0.00 0.52 0.00 0.00 34.95 33.05 1zzu s ARG 349 CO 0.23 -2.35 -0.20 0.99 0.02 0.00 0.00 175.30 173.98 1zzu s THR 350 N -3.82 2.69 0.29 0.02 2.01 -1.26 -5.02 115.64 110.55 1zzu s THR 350 Ca 0.74 -1.52 0.04 0.00 0.31 0.00 0.00 61.69 61.27 1zzu s THR 350 Cb -0.04 -2.21 0.29 0.00 0.01 0.00 0.00 72.50 70.55 1zzu s THR 350 CO 0.52 0.13 1.73 0.11 -0.69 0.00 0.00 174.62 176.42 1zzu h LYS 351 N 3.89 0.52 -0.25 4.92 1.57 -1.95 0.47 116.57 125.73 1zzu h LYS 351 Ca -0.50 -0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.31 1zzu h LYS 351 Cb 1.17 -0.12 -0.07 0.00 0.08 0.00 0.00 32.23 33.28 1zzu h LYS 351 CO 0.45 0.34 -0.30 0.22 -0.57 0.00 0.00 179.45 179.59 1zzu h ASP 352 N 0.53 -0.96 0.86 0.86 3.58 -1.98 -2.14 116.42 117.17 1zzu h ASP 352 Ca 0.56 0.16 0.00 0.00 0.42 0.00 0.00 57.03 58.17 1zzu h ASP 352 Cb 1.00 0.44 0.00 0.00 1.72 0.00 0.00 39.33 42.49 1zzu h ASP 352 CO -0.46 -0.32 -0.21 0.00 -2.88 0.00 0.00 179.24 175.36 1zzu n GLN 353 N -5.40 0.04 0.08 0.28 10.64 -0.47 -4.31 117.38 118.25 1zzu n GLN 353 Ca -0.01 0.02 -0.22 0.00 -1.83 0.00 0.00 57.00 54.96 1zzu n GLN 353 Cb 0.32 -1.54 -0.15 0.00 -0.86 0.00 0.00 30.24 28.01 1zzu n GLN 353 CO 0.00 0.00 0.00 1.25 -1.83 0.00 0.00 177.06 176.48 1zzu h LEU 354 N 0.00 0.62 -0.97 2.61 5.85 -0.27 -3.32 115.31 119.81 1zzu h LEU 354 Ca 0.00 -0.93 -0.04 0.00 0.84 0.00 0.00 57.88 57.75 1zzu h LEU 354 Cb 0.54 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1zzu h LEU 354 CO 0.00 1.57 0.27 0.15 -0.34 0.00 0.00 178.44 180.09 1zzu h PHE 355 N -0.14 1.03 -0.13 1.25 3.57 -1.72 -0.33 116.94 120.47 1zzu h PHE 355 Ca -0.22 -0.07 -0.07 0.00 3.53 0.00 0.00 57.97 61.15 1zzu h PHE 355 Cb 1.89 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 40.31 1zzu h PHE 355 CO 0.16 0.78 -0.23 -1.00 -2.23 0.00 0.00 178.31 175.79 1zzu h PRO 356 N 0.99 0.23 -0.27 6.41 0.13 -1.80 0.32 132.00 138.00 1zzu h PRO 356 Ca 0.23 -0.07 -0.15 0.00 -0.87 0.00 0.00 66.00 65.14 1zzu h PRO 356 Cb 0.19 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.29 1zzu h PRO 356 CO -0.02 0.45 -0.45 -0.07 -0.23 0.00 0.00 178.00 177.68 1zzu h LEU 357 N 0.21 0.76 -0.27 1.56 3.38 -1.54 -0.53 115.31 118.87 1zzu h LEU 357 Ca 0.04 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.57 1zzu h LEU 357 Cb 0.53 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1zzu h LEU 357 CO 0.04 1.10 -0.09 0.00 0.09 0.00 0.00 178.44 179.57 1zzu h ALA 358 N 0.93 0.37 -0.36 1.53 0.00 -0.46 -2.71 119.26 118.56 1zzu h ALA 358 Ca 0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1zzu h ALA 358 Cb 1.00 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1zzu h ALA 358 CO 0.09 0.21 0.18 -0.22 0.00 0.00 0.00 179.25 179.52 1zzu h LYS 359 N 0.28 0.52 -0.57 0.00 3.64 -0.24 -0.02 116.57 120.19 1zzu h LYS 359 Ca 0.06 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 1zzu h LYS 359 Cb 0.59 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 32.26 1zzu h LYS 359 CO 0.03 0.46 0.27 1.49 -2.27 0.00 0.00 179.45 179.43 1zzu h GLU 360 N 0.45 0.50 -0.03 1.90 4.81 -1.12 0.10 114.58 121.19 1zzu h GLU 360 Ca 0.13 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1zzu h GLU 360 Cb 0.11 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.37 1zzu h GLU 360 CO -0.02 0.33 0.00 0.35 -0.73 0.00 0.00 179.01 178.94 1zzu h PHE 361 N 0.51 0.06 -0.39 0.92 3.57 -1.17 -1.98 116.94 118.47 1zzu h PHE 361 Ca 0.26 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.71 1zzu h PHE 361 Cb 0.21 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1zzu h PHE 361 CO -0.11 0.32 0.05 -0.07 -2.23 0.00 0.00 178.31 176.26 1zzu h LEU 362 N -0.22 0.55 -0.39 0.59 3.38 -0.77 0.12 115.31 118.57 1zzu h LEU 362 Ca 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1zzu h LEU 362 Cb 0.29 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 1zzu h LEU 362 CO 0.00 0.58 0.22 0.44 0.09 0.00 0.00 178.44 179.77 1zzu h ASP 363 N 0.57 0.49 -0.46 -0.43 3.45 -0.72 0.87 116.42 120.19 1zzu h ASP 363 Ca 0.13 -0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.49 1zzu h ASP 363 Cb 0.29 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 38.91 1zzu h ASP 363 CO 0.00 0.43 0.24 1.56 -1.57 0.00 0.00 179.24 179.91 1zzu h GLN 364 N 0.50 0.65 0.09 3.56 4.20 -0.52 -1.75 115.11 121.85 1zzu h GLN 364 Ca 0.14 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 1zzu h GLN 364 Cb 0.05 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.71 1zzu h GLN 364 CO -0.02 0.53 -0.04 -0.92 -0.67 0.00 0.00 178.83 177.71 1zzu h TYR 365 N 0.60 -0.11 -0.03 2.96 3.20 -0.52 -1.68 116.97 121.39 1zzu h TYR 365 Ca 0.16 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 1zzu h TYR 365 Cb 0.08 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1zzu h TYR 365 CO -0.01 0.01 -0.21 1.88 -1.64 0.00 0.00 178.16 178.18 1zzu h TYR 366 N -0.21 0.05 -0.44 -3.82 -1.99 -0.75 -2.04 116.97 107.78 1zzu h TYR 366 Ca -0.01 -0.01 -0.14 0.00 2.00 0.00 0.00 58.73 60.57 1zzu h TYR 366 Cb 0.17 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.88 1zzu h TYR 366 CO -0.04 0.25 -0.29 0.77 -0.00 0.00 0.00 178.16 178.85 1zzu h SER 367 N 0.04 1.02 -0.26 3.88 0.02 -1.16 0.10 113.55 117.20 1zzu h SER 367 Ca 0.01 -0.42 -0.01 0.00 -0.84 0.00 0.00 61.79 60.53 1zzu h SER 367 Cb 0.40 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1zzu h SER 367 CO 0.03 1.22 0.15 0.77 -1.14 0.00 0.00 176.83 177.86 1zzu h SER 368 N 0.82 0.34 -0.58 3.07 4.64 -0.59 -1.14 113.55 120.11 1zzu h SER 368 Ca 0.09 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1zzu h SER 368 Cb 0.88 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 1zzu h SER 368 CO 0.08 0.29 0.00 2.30 -0.87 0.00 0.00 176.83 178.63 1zzu n ILE 369 N -4.45 0.77 -3.52 0.95 -5.35 -1.02 -4.95 119.36 101.78 1zzu n ILE 369 Ca 0.01 -0.79 -0.21 0.00 -0.27 0.00 0.00 62.75 61.50 1zzu n ILE 369 Cb 0.10 0.43 0.08 0.00 -1.74 0.00 0.00 39.64 38.51 1zzu n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1zzu n LYS 370 N 1.24 -7.26 -0.76 6.28 4.76 -0.43 -4.91 118.16 117.07 1zzu n LYS 370 Ca 0.20 0.83 0.04 0.00 -2.87 0.00 0.00 58.31 56.51 1zzu n LYS 370 Cb 0.50 -5.87 0.07 0.00 -1.84 0.00 0.00 35.03 27.89 1zzu n LYS 370 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1zzu n ARG 371 N -4.57 0.49 -1.84 1.97 5.12 0.32 -5.03 116.66 113.13 1zzu n ARG 371 Ca -0.14 -1.99 -0.42 0.00 -1.93 0.00 0.00 57.85 53.37 1zzu n ARG 371 Cb 0.62 -0.71 -0.03 0.00 -1.16 0.00 0.00 32.46 31.18 1zzu n ARG 371 CO 0.00 0.00 0.00 0.12 -1.93 0.00 0.00 177.63 175.82 1zzu s PHE 372 N -1.05 2.95 0.00 -1.55 5.36 -1.10 -1.65 117.98 120.94 1zzu s PHE 372 Ca 0.23 0.59 0.00 0.00 -0.96 0.00 0.00 56.93 56.79 1zzu s PHE 372 Cb 0.24 -4.02 0.00 0.00 -0.34 0.00 0.00 43.02 38.90 1zzu s PHE 372 CO -0.06 -3.70 0.00 0.41 -1.46 0.00 0.00 175.22 170.41 1zzu n GLY 373 N 3.41 0.93 3.67 13.12 0.00 -1.26 -5.02 105.19 120.04 1zzu n GLY 373 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.86 1zzu n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zzu s SER 374 N -2.91 2.33 0.23 1.61 1.04 -0.66 -4.79 113.70 110.56 1zzu s SER 374 Ca 0.00 1.05 -0.02 0.00 0.48 0.00 0.00 55.95 57.46 1zzu s SER 374 Cb 0.00 -1.63 0.25 0.00 0.10 0.00 0.00 66.02 64.73 1zzu s SER 374 CO 0.00 -3.30 1.64 0.50 0.98 0.00 0.00 173.24 173.06 1zzu h LYS 375 N -2.01 0.65 -0.73 4.02 3.64 -1.95 -0.92 116.57 119.26 1zzu h LYS 375 Ca -0.53 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 58.57 1zzu h LYS 375 Cb 1.33 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.09 1zzu h LYS 375 CO 0.54 0.86 0.43 0.00 -2.27 0.00 0.00 179.45 179.01 1zzu h ALA 376 N 1.14 0.93 0.01 5.00 0.00 -1.92 0.16 119.26 124.57 1zzu h ALA 376 Ca 0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1zzu h ALA 376 Cb 0.76 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1zzu h ALA 376 CO 0.06 0.41 -0.00 1.25 0.00 0.00 0.00 179.25 180.96 1zzu h HIS 377 N 1.00 -0.01 -0.73 0.00 -0.00 -1.71 -1.58 115.15 112.11 1zzu h HIS 377 Ca 0.26 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.57 1zzu h HIS 377 Cb -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.36 1zzu h HIS 377 CO -0.01 0.21 0.24 0.52 -0.00 0.00 0.00 177.93 178.89 1zzu h MET 378 N -0.23 1.13 -0.69 5.26 2.07 -0.94 -1.83 114.93 119.70 1zzu h MET 378 Ca -0.00 -0.24 -0.04 0.00 -2.07 0.00 0.00 59.70 57.35 1zzu h MET 378 Cb 0.22 -0.17 -0.03 0.00 -1.87 0.00 0.00 31.60 29.75 1zzu h MET 378 CO 0.00 0.96 0.29 -0.44 1.07 0.00 0.00 176.91 178.79 1zzu h ASP 379 N 1.08 0.95 -0.45 1.22 3.32 -0.63 -1.80 116.42 120.11 1zzu h ASP 379 Ca 0.24 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 1zzu h ASP 379 Cb 0.29 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 1zzu h ASP 379 CO -0.01 0.85 0.16 -0.09 -1.72 0.00 0.00 179.24 178.44 1zzu h ARG 380 N 0.98 0.68 -0.76 3.56 9.65 -1.01 0.24 114.38 127.73 1zzu h ARG 380 Ca 0.23 -0.13 0.01 0.00 -1.10 0.00 0.00 59.98 58.99 1zzu h ARG 380 Cb 0.19 -0.11 -0.04 0.00 -1.39 0.00 0.00 29.97 28.63 1zzu h ARG 380 CO -0.02 0.63 0.50 -0.07 2.80 0.00 0.00 179.97 183.81 1zzu h LEU 381 N 0.58 0.86 -0.39 3.80 3.38 -1.12 0.30 115.31 122.72 1zzu h LEU 381 Ca 0.15 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1zzu h LEU 381 Cb 0.22 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1zzu h LEU 381 CO -0.01 0.62 0.13 -0.08 0.09 0.00 0.00 178.44 179.19 1zzu h GLU 382 N 1.02 0.60 -0.62 1.13 4.57 -1.01 0.64 114.58 120.90 1zzu h GLU 382 Ca 0.28 -0.13 0.01 0.00 -1.18 0.00 0.00 59.36 58.35 1zzu h GLU 382 Cb -0.11 -0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 28.36 1zzu h GLU 382 CO -0.07 0.60 0.40 1.49 -1.18 0.00 0.00 179.01 180.26 1zzu h GLU 383 N 0.48 0.79 -0.34 1.92 4.81 -0.01 -1.01 114.58 121.22 1zzu h GLU 383 Ca 0.13 -0.05 -0.14 0.00 -0.13 0.00 0.00 59.36 59.17 1zzu h GLU 383 Cb 0.24 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1zzu h GLU 383 CO -0.01 0.52 -0.33 0.28 -0.73 0.00 0.00 179.01 178.75 1zzu h VAL 384 N 0.81 1.29 -0.21 0.32 2.07 -0.75 -1.69 116.25 118.08 1zzu h VAL 384 Ca 0.24 -1.50 0.02 0.00 0.82 0.00 0.00 66.70 66.28 1zzu h VAL 384 Cb -0.05 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 1zzu h VAL 384 CO -0.07 0.49 0.06 -1.13 0.02 0.00 0.00 177.57 176.94 1zzu h ASN 385 N 0.60 0.05 -0.65 0.57 -0.00 -0.59 -0.49 115.58 115.06 1zzu h ASN 385 Ca 0.05 0.03 -0.02 0.00 -0.00 0.00 0.00 56.30 56.36 1zzu h ASN 385 Cb 0.91 0.03 -0.03 0.00 -0.00 0.00 0.00 38.32 39.22 1zzu h ASN 385 CO 0.08 0.06 0.35 0.11 -0.00 0.00 0.00 177.43 178.03 1zzu h LYS 386 N 0.15 0.93 -0.40 6.67 1.57 -1.14 -2.04 116.57 122.31 1zzu h LYS 386 Ca 0.09 -0.11 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1zzu h LYS 386 Cb 0.07 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1zzu h LYS 386 CO -0.11 0.70 -0.06 1.49 -0.57 0.00 0.00 179.45 180.90 1zzu h GLU 387 N 0.94 0.75 0.24 3.15 4.81 -0.67 -1.84 114.58 121.95 1zzu h GLU 387 Ca 0.24 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1zzu h GLU 387 Cb 0.05 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1zzu h GLU 387 CO -0.04 0.87 -0.11 0.82 -0.73 0.00 0.00 179.01 179.81 1zzu h ILE 388 N 0.57 0.82 -0.51 2.32 2.04 -0.82 0.55 117.51 122.48 1zzu h ILE 388 Ca 0.11 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.67 1zzu h ILE 388 Cb 0.56 1.01 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1zzu h ILE 388 CO 0.03 0.07 0.34 1.05 0.00 0.00 0.00 178.15 179.64 1zzu h GLU 389 N -0.48 0.58 0.11 2.37 4.11 -1.40 1.76 114.58 121.62 1zzu h GLU 389 Ca -0.03 -0.03 -0.19 0.00 0.07 0.00 0.00 59.36 59.18 1zzu h GLU 389 Cb 0.36 -0.13 0.02 0.00 0.50 0.00 0.00 28.75 29.50 1zzu h GLU 389 CO 0.05 0.38 -0.80 1.03 0.07 0.00 0.00 179.01 179.75 1zzu h SER 390 N 0.60 0.52 -0.00 3.06 0.87 -1.09 -3.39 113.55 114.10 1zzu h SER 390 Ca 0.20 -0.89 0.00 0.00 -1.23 0.00 0.00 61.79 59.87 1zzu h SER 390 Cb 0.07 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1zzu h SER 390 CO -0.05 1.36 -0.17 0.35 -0.53 0.00 0.00 176.83 177.79 1zzu n THR 391 N -4.12 0.00 -0.98 2.23 -2.24 0.19 -5.00 114.28 104.36 1zzu n THR 391 Ca -0.13 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1zzu n THR 391 Cb 0.80 1.05 0.00 0.00 -2.10 0.00 0.00 70.33 70.08 1zzu n THR 391 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1zzu n SER 392 N -0.58 -0.82 -0.92 3.42 2.88 0.60 -4.94 113.62 113.25 1zzu n SER 392 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1zzu n SER 392 Cb 0.12 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.30 1zzu n SER 392 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1zzu n THR 393 N -2.25 0.00 -3.47 2.46 5.66 -1.25 -4.70 114.28 110.74 1zzu n THR 393 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 1zzu n THR 393 Cb 0.01 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 68.76 1zzu n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1zzu s TYR 394 N -6.99 -0.47 -0.11 1.09 -0.85 -1.26 -2.75 117.35 106.00 1zzu s TYR 394 Ca 0.00 0.24 -0.03 0.00 -0.52 0.00 0.00 57.07 56.76 1zzu s TYR 394 Cb 0.00 0.53 -0.03 0.00 0.38 0.00 0.00 41.96 42.83 1zzu s TYR 394 CO 0.00 -0.85 0.01 -0.65 -1.52 0.00 0.00 175.55 172.54 1zzu s GLN 395 N -3.77 3.23 0.32 -3.49 -1.52 -1.26 -5.05 119.66 108.12 1zzu s GLN 395 Ca 0.02 -0.40 -0.23 0.00 -1.95 0.00 0.00 55.36 52.80 1zzu s GLN 395 Cb -0.01 -2.88 -0.10 0.00 -0.22 0.00 0.00 33.01 29.80 1zzu s GLN 395 CO -0.12 0.59 0.88 -0.51 -0.25 0.00 0.00 175.29 175.87 1zzu s LEU 396 N -0.55 4.26 0.63 2.90 1.43 -1.26 -5.05 118.68 121.04 1zzu s LEU 396 Ca 0.09 1.67 -0.13 0.00 -1.03 0.00 0.00 54.13 54.74 1zzu s LEU 396 Cb -0.12 -4.00 -0.02 0.00 0.03 0.00 0.00 46.19 42.08 1zzu s LEU 396 CO 0.02 -0.10 1.05 -0.54 0.23 0.00 0.00 176.35 177.01 1zzu s LYS 397 N -2.28 3.24 0.26 1.70 -0.14 -1.26 -4.84 119.74 116.42 1zzu s LYS 397 Ca 0.51 1.02 -0.02 0.00 -1.36 0.00 0.00 55.97 56.12 1zzu s LYS 397 Cb -0.16 -2.03 0.47 0.00 -1.68 0.00 0.00 37.83 34.43 1zzu s LYS 397 CO 0.21 -0.86 1.80 -0.44 -0.76 0.00 0.00 175.35 175.30 1zzu h ASP 398 N -0.10 0.68 -0.72 2.83 5.19 -1.99 -0.98 116.42 121.32 1zzu h ASP 398 Ca -0.45 0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.01 1zzu h ASP 398 Cb 1.21 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 40.62 1zzu h ASP 398 CO 0.58 0.35 0.40 0.71 -3.12 0.00 0.00 179.24 178.16 1zzu h THR 399 N 0.78 1.22 -0.35 0.35 1.35 -2.00 -1.94 112.91 112.32 1zzu h THR 399 Ca 0.44 -0.54 -0.13 0.00 -0.55 0.00 0.00 66.41 65.63 1zzu h THR 399 Cb 0.48 0.26 -0.01 0.00 -1.73 0.00 0.00 68.15 67.15 1zzu h THR 399 CO -0.29 0.24 -0.30 -0.33 -0.25 0.00 0.00 175.52 174.60 1zzu h GLU 400 N 0.99 0.75 -0.17 4.72 5.08 -1.71 -1.54 114.58 122.71 1zzu h GLU 400 Ca 0.26 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 1zzu h GLU 400 Cb 0.03 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 1zzu h GLU 400 CO -0.04 0.95 0.07 1.25 -1.00 0.00 0.00 179.01 180.24 1zzu h LEU 401 N 0.64 0.23 -0.00 1.33 5.85 -0.96 0.14 115.31 122.54 1zzu h LEU 401 Ca 0.07 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1zzu h LEU 401 Cb 0.82 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.79 1zzu h LEU 401 CO 0.07 0.33 0.00 0.40 -0.34 0.00 0.00 178.44 178.90 1zzu h ILE 402 N 0.12 1.01 -0.70 4.05 2.04 -1.27 0.20 117.51 122.95 1zzu h ILE 402 Ca 0.06 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.93 1zzu h ILE 402 Cb 0.17 1.02 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 1zzu h ILE 402 CO -0.00 0.01 0.44 0.22 0.00 0.00 0.00 178.15 178.81 1zzu h TYR 403 N -0.01 0.81 -0.36 1.37 3.20 -1.22 -1.65 116.97 119.12 1zzu h TYR 403 Ca 0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.88 1zzu h TYR 403 Cb 0.01 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.00 1zzu h TYR 403 CO -0.08 0.45 0.15 0.78 -1.64 0.00 0.00 178.16 177.83 1zzu h GLY 404 N 0.84 0.57 1.01 1.82 0.00 -0.28 -1.50 103.07 105.53 1zzu h GLY 404 Ca 0.29 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 47.25 1zzu h GLY 404 CO -0.12 0.29 0.11 0.00 0.00 0.00 0.00 176.54 176.82 1zzu h ALA 405 N 1.00 0.75 -0.84 3.60 0.00 -0.74 -1.79 119.26 121.24 1zzu h ALA 405 Ca 0.12 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1zzu h ALA 405 Cb 0.16 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1zzu h ALA 405 CO -0.01 0.47 0.39 0.87 0.00 0.00 0.00 179.25 180.97 1zzu h LYS 406 N 0.82 1.22 0.00 0.00 1.57 -1.20 -2.79 116.57 116.19 1zzu h LYS 406 Ca 0.17 -0.19 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1zzu h LYS 406 Cb 0.38 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1zzu h LYS 406 CO 0.01 0.95 -0.53 0.45 -0.57 0.00 0.00 179.45 179.75 1zzu h HIS 407 N 1.21 0.00 -0.69 -1.35 3.86 -1.06 -1.27 115.15 115.84 1zzu h HIS 407 Ca 0.29 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.45 1zzu h HIS 407 Cb 0.14 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 28.58 1zzu h HIS 407 CO 0.02 0.53 0.26 0.00 0.86 0.00 0.00 177.93 179.60 1zzu h ALA 408 N 1.47 1.15 -0.07 2.45 0.00 -1.07 0.19 119.26 123.38 1zzu h ALA 408 Ca -0.01 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1zzu h ALA 408 Cb 1.09 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.61 1zzu h ALA 408 CO 0.07 0.60 -0.06 2.35 0.00 0.00 0.00 179.25 182.22 1zzu h TRP 409 N 1.01 0.18 -0.79 0.00 7.01 -1.29 -2.50 115.95 119.57 1zzu h TRP 409 Ca 0.23 -0.05 0.16 0.00 2.11 0.00 0.00 58.89 61.34 1zzu h TRP 409 Cb 0.22 -0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.18 1zzu h TRP 409 CO 0.02 0.58 0.53 -0.09 -2.79 0.00 0.00 178.44 176.69 1zzu h ARG 410 N -0.27 0.43 -0.01 2.65 2.43 -0.80 -1.06 114.38 117.75 1zzu h ARG 410 Ca 0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1zzu h ARG 410 Cb 0.55 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 1zzu h ARG 410 CO 0.01 0.29 -0.09 0.09 -1.51 0.00 0.00 179.97 178.76 1zzu n ASN 411 N -4.49 1.02 -4.55 -3.80 3.02 0.61 -4.82 115.26 102.24 1zzu n ASN 411 Ca 0.15 -1.12 -0.38 0.00 -0.03 0.00 0.00 54.58 53.21 1zzu n ASN 411 Cb 0.55 0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.71 1zzu n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1zzu s ALA 412 N -2.22 2.32 0.38 5.41 0.00 -0.41 -4.70 121.76 122.54 1zzu s ALA 412 Ca 0.34 -1.18 0.38 0.00 0.00 0.00 0.00 51.96 51.50 1zzu s ALA 412 Cb 0.20 -4.36 1.99 0.00 0.00 0.00 0.00 23.12 20.96 1zzu s ALA 412 CO 0.41 -3.84 2.17 0.66 0.00 0.00 0.00 175.76 175.16 1zzu h SER 413 N 12.34 0.00 0.05 0.00 4.64 -1.88 -2.15 113.55 126.55 1zzu h SER 413 Ca -0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.16 1zzu h SER 413 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1zzu h SER 413 CO 1.26 0.00 -0.08 0.54 -0.87 0.00 0.00 176.83 177.67 1zzu n ARG 414 N -2.91 1.51 -3.39 4.77 1.74 -1.26 -0.70 116.66 116.41 1zzu n ARG 414 Ca -0.02 -0.95 -0.40 0.00 -0.77 0.00 0.00 57.85 55.71 1zzu n ARG 414 Cb 0.11 -1.48 -0.09 0.00 -1.02 0.00 0.00 32.46 29.98 1zzu n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1zzu n VAL 416 N 5.20 0.00 -0.60 0.00 3.14 -1.26 -3.76 118.33 121.05 1zzu n VAL 416 Ca -0.09 -0.01 0.07 0.00 -2.96 0.00 0.00 64.34 61.36 1zzu n VAL 416 Cb 0.50 -0.37 0.35 0.00 -1.06 0.00 0.00 33.84 33.27 1zzu n VAL 416 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1zzu n GLY 417 N 1.42 2.70 0.00 7.55 0.00 -1.26 -4.47 105.19 111.13 1zzu n GLY 417 Ca 0.10 -0.82 0.03 0.00 0.00 0.00 0.00 46.02 45.33 1zzu n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zzu n ARG 418 N 0.79 0.04 0.32 1.61 1.74 -1.25 -2.29 116.66 117.62 1zzu n ARG 418 Ca 0.25 0.32 0.20 0.00 -0.77 0.00 0.00 57.85 57.85 1zzu n ARG 418 Cb 0.99 -1.50 1.06 0.00 -1.02 0.00 0.00 32.46 31.99 1zzu n ARG 418 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1zzu h ILE 419 N 0.00 0.16 -0.09 0.55 2.10 -1.90 -1.35 117.51 116.98 1zzu h ILE 419 Ca 0.00 -0.11 0.00 0.00 1.08 0.00 0.00 64.86 65.83 1zzu h ILE 419 Cb 0.09 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 36.91 1zzu h ILE 419 CO 0.00 0.01 0.00 0.00 -1.08 0.00 0.00 178.15 177.08 1zzu n GLN 420 N -3.28 1.75 -0.33 2.19 1.13 -0.97 -4.67 117.38 113.19 1zzu n GLN 420 Ca -0.03 -1.10 0.13 0.00 -1.94 0.00 0.00 57.00 54.06 1zzu n GLN 420 Cb 0.11 -1.44 0.31 0.00 0.11 0.00 0.00 30.24 29.33 1zzu n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1zzu h TRP 421 N 2.45 0.94 0.00 1.08 5.08 -1.45 -1.44 115.95 122.62 1zzu h TRP 421 Ca 0.00 0.04 0.00 0.00 1.08 0.00 0.00 58.89 60.01 1zzu h TRP 421 Cb 0.53 -0.27 0.00 0.00 -3.00 0.00 0.00 29.16 26.42 1zzu h TRP 421 CO 0.05 0.15 0.00 -1.13 -1.28 0.00 0.00 178.44 176.23 1zzu n SER 422 N -4.85 0.40 -1.25 0.11 3.41 -1.26 -3.48 113.62 106.70 1zzu n SER 422 Ca 0.23 0.59 0.08 0.00 -0.26 0.00 0.00 58.87 59.50 1zzu n SER 422 Cb 0.59 -0.68 0.27 0.00 -0.26 0.00 0.00 64.21 64.14 1zzu n SER 422 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1zzu n LYS 423 N -1.93 2.96 -2.07 4.33 5.02 -0.54 -4.98 118.16 120.95 1zzu n LYS 423 Ca 0.03 -2.19 -0.42 0.00 -2.02 0.00 0.00 58.31 53.72 1zzu n LYS 423 Cb 0.23 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 1zzu n LYS 423 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 1zzu s LEU 424 N -1.42 4.38 -0.25 -0.35 2.96 -1.23 -4.76 118.68 118.01 1zzu s LEU 424 Ca 0.39 2.50 -0.18 0.00 -0.22 0.00 0.00 54.13 56.62 1zzu s LEU 424 Cb 0.24 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 43.31 1zzu s LEU 424 CO 0.21 -0.70 0.54 -1.58 -1.32 0.00 0.00 176.35 173.50 1zzu s GLN 425 N 0.62 4.10 -0.27 1.98 2.00 -0.86 -4.98 119.66 122.25 1zzu s GLN 425 Ca 0.64 0.39 -0.09 0.00 -2.00 0.00 0.00 55.36 54.30 1zzu s GLN 425 Cb -0.40 -3.63 -0.03 0.00 0.80 0.00 0.00 33.01 29.74 1zzu s GLN 425 CO 0.34 -0.33 0.12 0.08 -0.50 0.00 0.00 175.29 175.01 1zzu s VAL 426 N 2.22 4.69 -0.28 1.34 1.01 -1.26 -1.02 120.40 127.10 1zzu s VAL 426 Ca 0.23 -0.08 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 1zzu s VAL 426 Cb -0.16 -3.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 1zzu s VAL 426 CO 0.09 0.28 0.17 -0.36 0.00 0.00 0.00 175.10 175.28 1zzu s PHE 427 N 1.67 3.19 -0.54 5.22 0.08 0.77 -4.98 117.98 123.38 1zzu s PHE 427 Ca 0.06 -0.06 -0.23 0.00 0.12 0.00 0.00 56.93 56.82 1zzu s PHE 427 Cb -0.16 -2.36 0.04 0.00 -0.57 0.00 0.00 43.02 39.98 1zzu s PHE 427 CO 0.06 -0.24 0.88 0.34 -0.10 0.00 0.00 175.22 176.17 1zzu s ASP 428 N 1.72 6.32 -0.31 1.36 3.68 -1.26 -1.16 116.67 127.02 1zzu s ASP 428 Ca 0.07 -0.46 0.08 0.00 2.13 0.00 0.00 52.55 54.37 1zzu s ASP 428 Cb -0.16 -2.41 0.52 0.00 -1.45 0.00 0.00 42.92 39.42 1zzu s ASP 428 CO 0.09 -1.16 1.50 0.00 0.13 0.00 0.00 175.17 175.73 1zzu n ALA 429 N 7.22 4.49 0.75 3.66 0.00 -0.04 -4.68 120.51 131.92 1zzu n ALA 429 Ca 0.00 -3.16 0.09 0.00 0.00 0.00 0.00 53.44 50.37 1zzu n ALA 429 Cb 0.47 -0.80 0.42 0.00 0.00 0.00 0.00 19.45 19.55 1zzu n ALA 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1zzu n ARG 430 N -1.12 0.15 -0.09 0.00 1.74 -1.12 -2.11 116.66 114.10 1zzu n ARG 430 Ca 0.36 0.15 0.12 0.00 -0.77 0.00 0.00 57.85 57.71 1zzu n ARG 430 Cb 1.08 -1.50 0.31 0.00 -1.02 0.00 0.00 32.46 31.33 1zzu n ARG 430 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 1zzu n ASP 431 N -1.38 2.40 -4.76 0.55 5.75 -1.26 -4.54 116.55 113.30 1zzu n ASP 431 Ca 0.07 -1.81 -0.40 0.00 -0.01 0.00 0.00 54.79 52.63 1zzu n ASP 431 Cb 0.17 -0.12 -0.04 0.00 -1.03 0.00 0.00 41.12 40.11 1zzu n ASP 431 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1zzu n THR 433 N 1.07 0.00 -4.30 0.00 -2.24 -1.26 -4.78 114.28 102.77 1zzu n THR 433 Ca -0.01 -0.14 -0.16 0.00 -2.27 0.00 0.00 64.05 61.47 1zzu n THR 433 Cb 0.44 0.64 -0.10 0.00 -2.10 0.00 0.00 70.33 69.20 1zzu n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1zzu s THR 434 N -0.89 0.72 0.29 4.28 -4.23 -1.26 -4.62 115.64 109.94 1zzu s THR 434 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 1zzu s THR 434 Cb 0.00 -2.41 0.14 0.00 1.34 0.00 0.00 72.50 71.57 1zzu s THR 434 CO 0.00 -0.22 1.82 0.00 -0.54 0.00 0.00 174.62 175.67 1zzu h ALA 435 N 2.49 1.22 -0.50 3.99 0.00 -1.89 -0.86 119.26 123.72 1zzu h ALA 435 Ca -0.38 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 1zzu h ALA 435 Cb 1.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1zzu h ALA 435 CO 0.63 0.52 0.02 0.45 0.00 0.00 0.00 179.25 180.87 1zzu h HIS 436 N 0.69 0.86 -0.72 0.00 3.86 -1.96 -0.45 115.15 117.43 1zzu h HIS 436 Ca 0.15 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 59.19 1zzu h HIS 436 Cb 0.36 -0.24 -0.03 0.00 1.06 0.00 0.00 27.41 28.56 1zzu h HIS 436 CO 0.02 0.78 0.24 0.78 0.86 0.00 0.00 177.93 180.61 1zzu h GLY 437 N 0.97 1.18 1.05 2.45 0.00 -1.70 -2.21 103.07 104.82 1zzu h GLY 437 Ca 0.15 -0.67 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 1zzu h GLY 437 CO 0.02 0.63 0.12 -0.33 0.00 0.00 0.00 176.54 176.97 1zzu h MET 438 N 1.06 1.05 -0.27 4.80 0.00 -0.54 -2.26 114.93 118.78 1zzu h MET 438 Ca 0.24 -0.28 0.03 0.00 0.00 0.00 0.00 59.70 59.69 1zzu h MET 438 Cb 0.27 -0.13 -0.03 0.00 0.00 0.00 0.00 31.60 31.71 1zzu h MET 438 CO -0.01 0.97 0.07 0.35 0.00 0.00 0.00 176.91 178.29 1zzu h PHE 439 N 0.97 0.13 -0.43 -0.22 3.04 -0.68 -0.43 116.94 119.32 1zzu h PHE 439 Ca 0.20 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.17 1zzu h PHE 439 Cb 0.42 -0.02 -0.02 0.00 2.56 0.00 0.00 35.95 38.89 1zzu h PHE 439 CO 0.03 0.05 0.28 -0.97 -2.02 0.00 0.00 178.31 175.69 1zzu h ASN 440 N 0.19 0.49 -0.98 0.41 -1.24 -1.23 -0.74 115.58 112.47 1zzu h ASN 440 Ca 0.12 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.12 1zzu h ASN 440 Cb 0.10 -0.12 -0.05 0.00 0.73 0.00 0.00 38.32 38.99 1zzu h ASN 440 CO -0.14 0.35 0.63 1.88 -1.29 0.00 0.00 177.43 178.86 1zzu h TYR 441 N 0.58 1.25 -0.32 0.67 -1.99 -0.99 -2.03 116.97 114.13 1zzu h TYR 441 Ca 0.16 0.02 -0.15 0.00 2.00 0.00 0.00 58.73 60.75 1zzu h TYR 441 Cb -0.06 -0.42 -0.01 0.00 2.00 0.00 0.00 36.73 38.24 1zzu h TYR 441 CO -0.05 0.80 -0.40 0.82 -0.00 0.00 0.00 178.16 179.33 1zzu h ILE 442 N 1.34 1.28 -0.54 -2.88 2.04 -0.65 -1.62 117.51 116.48 1zzu h ILE 442 Ca 0.36 -1.58 -0.01 0.00 1.00 0.00 0.00 64.86 64.62 1zzu h ILE 442 Cb -0.12 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1zzu h ILE 442 CO -0.07 0.52 0.30 0.00 0.00 0.00 0.00 178.15 178.89 1zzu h ASN 444 N 0.72 0.47 -0.01 0.00 2.35 -1.22 -1.38 115.58 116.51 1zzu h ASN 444 Ca 0.19 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1zzu h ASN 444 Cb 0.04 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 1zzu h ASN 444 CO -0.03 0.52 -0.00 -0.74 -1.65 0.00 0.00 177.43 175.53 1zzu h HIS 445 N 0.50 0.02 -0.69 1.19 2.76 -0.63 -1.22 115.15 117.08 1zzu h HIS 445 Ca 0.11 -0.00 0.03 0.00 -2.20 0.00 0.00 60.37 58.31 1zzu h HIS 445 Cb 0.27 -0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.19 1zzu h HIS 445 CO 0.01 0.35 0.43 0.28 -1.30 0.00 0.00 177.93 177.69 1zzu h VAL 446 N -0.31 1.08 -0.30 5.26 2.07 -0.78 0.13 116.25 123.39 1zzu h VAL 446 Ca 0.00 -0.29 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 1zzu h VAL 446 Cb 0.34 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1zzu h VAL 446 CO 0.00 0.15 -0.04 0.50 0.02 0.00 0.00 177.57 178.20 1zzu h LYS 447 N 0.83 0.56 0.13 1.57 3.64 -1.24 -0.55 116.57 121.50 1zzu h LYS 447 Ca 0.28 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1zzu h LYS 447 Cb 0.03 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1zzu h LYS 447 CO -0.11 0.73 -0.06 -0.92 -2.27 0.00 0.00 179.45 176.82 1zzu h TYR 448 N 0.34 -0.16 -0.78 1.91 3.20 -0.92 -2.13 116.97 118.43 1zzu h TYR 448 Ca 0.08 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 1zzu h TYR 448 Cb 0.51 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.79 1zzu h TYR 448 CO 0.04 0.02 0.34 0.00 -1.64 0.00 0.00 178.16 176.92 1zzu h ALA 449 N 0.54 1.13 -0.18 1.82 0.00 -0.75 -3.08 119.26 118.73 1zzu h ALA 449 Ca -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1zzu h ALA 449 Cb 0.25 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1zzu h ALA 449 CO 0.03 0.64 -0.02 1.15 0.00 0.00 0.00 179.25 181.05 1zzu h THR 450 N 1.12 1.27 -6.68 0.00 2.02 -1.07 -0.85 112.91 108.72 1zzu h THR 450 Ca 0.27 -0.91 -0.54 0.00 0.77 0.00 0.00 66.41 65.99 1zzu h THR 450 Cb 0.17 1.52 -0.12 0.00 -1.74 0.00 0.00 68.15 67.97 1zzu h THR 450 CO -0.03 0.27 -0.90 -3.20 0.37 0.00 0.00 175.52 172.04 1zzu n ASN 451 N -4.70 -0.50 -3.02 4.18 5.15 -0.80 -0.58 115.26 114.99 1zzu n ASN 451 Ca -0.05 -1.07 -0.18 0.00 -0.60 0.00 0.00 54.58 52.67 1zzu n ASN 451 Cb 0.24 -2.65 -0.00 0.00 -0.53 0.00 0.00 39.78 36.84 1zzu n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1zzu n LYS 452 N -4.43 -2.99 0.00 1.20 5.02 -1.26 -1.72 118.16 113.97 1zzu n LYS 452 Ca -0.25 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1zzu n LYS 452 Cb 0.66 -5.14 0.00 0.00 -0.02 0.00 0.00 35.03 30.53 1zzu n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1zzu n GLY 453 N -1.01 2.83 3.26 0.72 0.00 0.26 -4.93 105.19 106.31 1zzu n GLY 453 Ca -0.05 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 1zzu n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1zzu n ASN 454 N 0.00 5.51 -4.71 1.61 4.05 -0.70 -0.91 115.26 120.10 1zzu n ASN 454 Ca 0.00 -3.09 -0.42 0.00 0.45 0.00 0.00 54.58 51.51 1zzu n ASN 454 Cb 0.00 -1.44 -0.01 0.00 1.23 0.00 0.00 39.78 39.56 1zzu n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1zzu n LEU 455 N 3.62 3.82 -4.11 1.20 4.32 -1.24 -4.52 117.00 120.10 1zzu n LEU 455 Ca 0.31 1.19 -0.28 0.00 -0.02 0.00 0.00 56.01 57.22 1zzu n LEU 455 Cb 0.39 -1.52 -0.17 0.00 -1.62 0.00 0.00 43.42 40.51 1zzu n LEU 455 CO 0.62 -0.28 -0.51 -0.13 -1.22 0.00 0.00 177.39 175.87 1zzu s ARG 456 N -1.53 2.27 0.35 3.23 0.52 -0.32 -5.02 118.95 118.44 1zzu s ARG 456 Ca 0.58 -0.61 -0.28 0.00 -0.52 0.00 0.00 55.73 54.90 1zzu s ARG 456 Cb -0.55 -1.78 -0.10 0.00 0.52 0.00 0.00 34.95 33.04 1zzu s ARG 456 CO 0.59 0.09 1.29 -1.12 0.02 0.00 0.00 175.30 176.17 1zzu s SER 457 N 0.53 6.67 0.14 0.23 0.01 -1.26 -4.44 113.70 115.59 1zzu s SER 457 Ca -0.16 2.64 -0.21 0.00 1.31 0.00 0.00 55.95 59.53 1zzu s SER 457 Cb -0.17 -2.64 0.06 0.00 0.21 0.00 0.00 66.02 63.48 1zzu s SER 457 CO 0.06 -0.60 0.53 0.00 0.41 0.00 0.00 173.24 173.63 1zzu s ALA 458 N -1.19 -1.36 -0.06 1.44 0.00 -0.53 -2.03 121.76 118.04 1zzu s ALA 458 Ca 0.51 0.31 -0.04 0.00 0.00 0.00 0.00 51.96 52.74 1zzu s ALA 458 Cb -0.38 0.80 0.02 0.00 0.00 0.00 0.00 23.12 23.56 1zzu s ALA 458 CO 0.51 -0.72 0.14 -1.50 0.00 0.00 0.00 175.76 174.19 1zzu s ILE 459 N -3.72 -0.01 -0.16 0.00 2.07 -0.19 -0.88 121.20 118.32 1zzu s ILE 459 Ca 0.01 0.04 -0.01 0.00 -1.41 0.00 0.00 60.65 59.29 1zzu s ILE 459 Cb 0.00 -0.21 -0.01 0.00 0.13 0.00 0.00 42.46 42.37 1zzu s ILE 459 CO -0.12 0.02 -0.13 -0.89 -1.91 0.00 0.00 174.94 171.91 1zzu s THR 460 N 0.31 2.91 -0.27 4.00 2.01 -0.41 -0.17 115.64 124.02 1zzu s THR 460 Ca -0.02 -0.69 -0.03 0.00 0.31 0.00 0.00 61.69 61.26 1zzu s THR 460 Cb -0.03 -2.24 0.03 0.00 0.01 0.00 0.00 72.50 70.26 1zzu s THR 460 CO -0.01 0.50 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.78 1zzu s ILE 461 N 0.77 3.17 0.70 1.82 1.01 -0.30 -3.12 121.20 125.25 1zzu s ILE 461 Ca -0.05 -1.05 -0.06 0.00 0.00 0.00 0.00 60.65 59.49 1zzu s ILE 461 Cb -0.15 -2.68 0.06 0.00 0.01 0.00 0.00 42.46 39.70 1zzu s ILE 461 CO 0.01 0.08 1.01 -0.36 0.00 0.00 0.00 174.94 175.69 1zzu s PHE 462 N 1.35 2.87 0.28 3.97 0.08 -0.81 -0.86 117.98 124.86 1zzu s PHE 462 Ca -0.01 0.41 -0.28 0.00 0.12 0.00 0.00 56.93 57.17 1zzu s PHE 462 Cb -0.18 -3.20 -0.14 0.00 -0.57 0.00 0.00 43.02 38.94 1zzu s PHE 462 CO -0.02 -1.42 1.03 -2.30 -0.10 0.00 0.00 175.22 172.40 1zzu n PRO 463 N -2.92 1.35 -1.19 0.24 -0.02 -1.25 -4.72 135.00 126.48 1zzu n PRO 463 Ca 0.08 0.47 -0.30 0.00 -2.02 0.00 0.00 63.50 61.73 1zzu n PRO 463 Cb 0.60 -1.86 0.12 0.00 -0.02 0.00 0.00 33.50 32.34 1zzu n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1zzu s GLN 464 N -1.46 1.77 0.39 -0.52 -2.07 -1.26 -4.60 119.66 111.91 1zzu s GLN 464 Ca 0.60 1.06 -0.27 0.00 -1.82 0.00 0.00 55.36 54.93 1zzu s GLN 464 Cb -0.71 -1.85 -0.09 0.00 -1.09 0.00 0.00 33.01 29.27 1zzu s GLN 464 CO 0.59 -1.95 1.30 0.50 -1.32 0.00 0.00 175.29 174.41 1zzu s ARG 465 N -4.89 4.05 0.00 9.60 3.52 0.77 -4.92 118.95 127.08 1zzu s ARG 465 Ca 0.62 2.16 0.00 0.00 -0.13 0.00 0.00 55.73 58.39 1zzu s ARG 465 Cb -0.18 -2.82 0.00 0.00 -1.56 0.00 0.00 34.95 30.40 1zzu s ARG 465 CO 0.57 -0.43 0.00 0.25 -0.81 0.00 0.00 175.30 174.88 1zzu n THR 466 N 0.26 0.00 0.68 4.11 -2.24 -1.26 -4.77 114.28 111.06 1zzu n THR 466 Ca 0.03 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.91 1zzu n THR 466 Cb 0.43 -0.50 0.12 0.00 -2.10 0.00 0.00 70.33 68.27 1zzu n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1zzu n ASP 467 N -0.67 2.86 0.00 3.42 3.85 -1.26 -4.85 116.55 119.90 1zzu n ASP 467 Ca 0.00 -1.88 0.00 0.00 -0.71 0.00 0.00 54.79 52.20 1zzu n ASP 467 Cb 0.00 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 39.71 1zzu n ASP 467 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1zzu n GLY 468 N 1.19 1.16 0.38 6.12 0.00 -1.26 -4.78 105.19 108.00 1zzu n GLY 468 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1zzu n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1zzu n LYS 469 N -2.00 1.62 -0.68 1.61 5.02 -1.26 -4.50 118.16 117.98 1zzu n LYS 469 Ca 0.00 -0.90 0.06 0.00 -2.02 0.00 0.00 58.31 55.45 1zzu n LYS 469 Cb 0.00 -1.22 0.17 0.00 -0.02 0.00 0.00 35.03 33.95 1zzu n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1zzu n HIS 470 N 0.08 0.00 -1.81 2.13 8.25 -1.26 -4.31 115.22 118.30 1zzu n HIS 470 Ca 0.06 -1.25 -0.38 0.00 -0.26 0.00 0.00 57.72 55.89 1zzu n HIS 470 Cb 0.31 -0.22 0.04 0.00 1.12 0.00 0.00 29.99 31.24 1zzu n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1zzu s ASP 471 N -2.95 5.23 -0.14 0.41 -0.00 -1.26 -2.78 116.67 115.17 1zzu s ASP 471 Ca 0.36 2.72 -0.09 0.00 -0.00 0.00 0.00 52.55 55.54 1zzu s ASP 471 Cb 0.35 -2.63 -0.04 0.00 -0.00 0.00 0.00 42.92 40.60 1zzu s ASP 471 CO -0.07 -1.60 0.17 -0.36 -0.00 0.00 0.00 175.17 173.31 1zzu s PHE 472 N -1.33 3.54 -0.06 4.23 0.40 -1.26 -0.40 117.98 123.09 1zzu s PHE 472 Ca 0.73 0.51 -0.11 0.00 -0.60 0.00 0.00 56.93 57.46 1zzu s PHE 472 Cb -0.39 -2.07 0.02 0.00 0.51 0.00 0.00 43.02 41.09 1zzu s PHE 472 CO 0.46 0.55 0.27 1.03 0.70 0.00 0.00 175.22 178.22 1zzu s ARG 473 N -0.46 0.45 -0.29 0.44 1.81 -0.26 -3.40 118.95 117.24 1zzu s ARG 473 Ca 0.14 0.10 -0.09 0.00 -1.72 0.00 0.00 55.73 54.15 1zzu s ARG 473 Cb -0.12 0.21 -0.02 0.00 -0.45 0.00 0.00 34.95 34.56 1zzu s ARG 473 CO 0.03 -0.09 0.14 0.08 -0.68 0.00 0.00 175.30 174.77 1zzu s VAL 474 N -0.52 4.67 0.15 3.52 1.01 -1.26 -1.16 120.40 126.82 1zzu s VAL 474 Ca -0.06 -0.23 0.20 0.00 0.00 0.00 0.00 61.98 61.89 1zzu s VAL 474 Cb -0.04 -3.30 0.16 0.00 0.00 0.00 0.00 36.38 33.21 1zzu s VAL 474 CO 0.02 0.18 1.75 -0.50 0.00 0.00 0.00 175.10 176.55 1zzu h TRP 475 N 8.33 0.00 -4.06 5.22 4.06 -1.54 -3.43 115.95 124.53 1zzu h TRP 475 Ca -0.34 0.00 -0.53 0.00 2.06 0.00 0.00 58.89 60.07 1zzu h TRP 475 Cb 1.16 0.00 0.11 0.00 -1.00 0.00 0.00 29.16 29.43 1zzu h TRP 475 CO 0.67 0.33 0.52 -0.80 -3.56 0.00 0.00 178.44 175.60 1zzu s ASN 476 N -6.37 5.44 0.12 -3.49 -0.87 -1.26 -4.93 114.94 103.58 1zzu s ASN 476 Ca 0.00 2.49 -0.00 0.00 -1.57 0.00 0.00 52.86 53.78 1zzu s ASN 476 Cb 0.11 -2.61 -0.17 0.00 -0.02 0.00 0.00 41.25 38.56 1zzu s ASN 476 CO 0.67 -1.43 1.25 0.77 -2.57 0.00 0.00 177.10 175.80 1zzu h SER 477 N 1.34 0.31 -4.60 -1.22 4.64 -1.90 -3.36 113.55 108.76 1zzu h SER 477 Ca -0.50 -0.29 -0.21 0.00 -0.47 0.00 0.00 61.79 60.31 1zzu h SER 477 Cb 1.29 -0.10 -0.23 0.00 -0.31 0.00 0.00 62.40 63.05 1zzu h SER 477 CO 0.57 1.17 -0.71 -1.10 -0.87 0.00 0.00 176.83 175.89 1zzu s GLN 478 N -2.89 0.30 0.33 4.77 -0.21 -1.26 -0.94 119.66 119.75 1zzu s GLN 478 Ca -0.03 -0.48 0.04 0.00 0.02 0.00 0.00 55.36 54.91 1zzu s GLN 478 Cb 0.09 -0.03 0.65 0.00 1.00 0.00 0.00 33.01 34.72 1zzu s GLN 478 CO 0.85 -0.01 1.90 -0.07 -2.12 0.00 0.00 175.29 175.85 1zzu h LEU 479 N 5.03 0.79 -7.92 2.90 3.38 -1.38 -3.39 115.31 114.73 1zzu h LEU 479 Ca -0.31 0.02 -0.63 0.00 0.09 0.00 0.00 57.88 57.05 1zzu h LEU 479 Cb 1.21 -0.15 -0.36 0.00 0.09 0.00 0.00 40.66 41.45 1zzu h LEU 479 CO 0.44 0.48 -0.83 -0.63 0.09 0.00 0.00 178.44 177.98 1zzu s ILE 480 N -5.80 1.74 0.14 1.22 1.01 -1.26 -4.86 121.20 113.39 1zzu s ILE 480 Ca -0.11 -0.83 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 1zzu s ILE 480 Cb 0.20 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 41.03 1zzu s ILE 480 CO 0.79 0.41 0.33 -0.13 0.00 0.00 0.00 174.94 176.34 1zzu s ARG 481 N 1.40 1.09 -0.05 2.79 0.52 -1.26 -4.85 118.95 118.60 1zzu s ARG 481 Ca 0.03 -0.94 -0.10 0.00 -0.52 0.00 0.00 55.73 54.20 1zzu s ARG 481 Cb -0.14 0.42 -0.05 0.00 0.52 0.00 0.00 34.95 35.70 1zzu s ARG 481 CO -0.11 -0.41 0.27 0.71 0.02 0.00 0.00 175.30 175.78 1zzu s TYR 482 N -3.88 3.64 0.72 -0.53 4.12 -1.26 -0.81 117.35 119.36 1zzu s TYR 482 Ca 0.09 0.72 -0.14 0.00 0.02 0.00 0.00 57.07 57.76 1zzu s TYR 482 Cb 0.03 -2.09 0.03 0.00 -1.52 0.00 0.00 41.96 38.41 1zzu s TYR 482 CO -0.07 0.68 1.13 0.00 0.02 0.00 0.00 175.55 177.31 1zzu s ALA 483 N -1.11 2.27 -0.03 3.71 0.00 0.40 -4.41 121.76 122.59 1zzu s ALA 483 Ca 0.21 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.78 1zzu s ALA 483 Cb -0.14 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.62 1zzu s ALA 483 CO 0.10 -1.63 -0.13 0.20 0.00 0.00 0.00 175.76 174.30 1zzu s GLY 484 N -2.61 0.69 -0.08 0.00 0.00 -1.23 -1.76 107.32 102.33 1zzu s GLY 484 Ca 0.68 -0.51 0.02 0.00 0.00 0.00 0.00 44.72 44.90 1zzu s GLY 484 CO 0.46 -0.28 -0.12 -0.19 0.00 0.00 0.00 173.10 172.98 1zzu s TYR 485 N 0.01 1.55 -0.12 1.90 1.51 0.12 -4.19 117.35 118.12 1zzu s TYR 485 Ca -0.01 -0.64 -0.24 0.00 -1.01 0.00 0.00 57.07 55.18 1zzu s TYR 485 Cb -0.09 -1.16 -0.03 0.00 -0.11 0.00 0.00 41.96 40.58 1zzu s TYR 485 CO 0.01 -0.35 0.73 0.21 -1.11 0.00 0.00 175.55 175.04 1zzu s LYS 486 N 0.91 4.36 0.28 -0.62 2.47 -1.26 -0.81 119.74 125.07 1zzu s LYS 486 Ca -0.10 0.89 -0.02 0.00 -1.56 0.00 0.00 55.97 55.18 1zzu s LYS 486 Cb -0.15 -3.51 -0.04 0.00 -1.46 0.00 0.00 37.83 32.67 1zzu s LYS 486 CO 0.01 -0.11 0.51 -0.65 0.16 0.00 0.00 175.35 175.27 1zzu s GLN 487 N 1.39 3.57 0.61 4.03 -1.52 0.21 -4.99 119.66 122.96 1zzu s GLN 487 Ca 0.37 -0.17 0.33 0.00 -1.95 0.00 0.00 55.36 53.93 1zzu s GLN 487 Cb -0.17 -2.70 1.94 0.00 -0.22 0.00 0.00 33.01 31.86 1zzu s GLN 487 CO 0.15 0.24 2.28 -1.00 -0.25 0.00 0.00 175.29 176.72 1zzu h PRO 488 N 1.52 0.00 -0.09 2.91 0.13 -1.97 0.49 132.00 134.99 1zzu h PRO 488 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1zzu h PRO 488 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1zzu h PRO 488 CO 0.65 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 1zzu n ASP 489 N -3.71 0.55 0.00 1.44 3.85 -1.26 -4.88 116.55 112.55 1zzu n ASP 489 Ca -0.03 -1.83 0.00 0.00 -0.71 0.00 0.00 54.79 52.22 1zzu n ASP 489 Cb 0.08 -0.06 0.00 0.00 -1.35 0.00 0.00 41.12 39.79 1zzu n ASP 489 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1zzu n GLY 490 N 0.75 1.75 3.90 6.12 0.00 0.16 -5.05 105.19 112.82 1zzu n GLY 490 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1zzu n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zzu s SER 491 N -3.19 4.93 -0.06 1.61 1.04 -1.26 -4.77 113.70 111.99 1zzu s SER 491 Ca 0.00 0.87 0.04 0.00 0.48 0.00 0.00 55.95 57.34 1zzu s SER 491 Cb 0.00 -1.51 -0.00 0.00 0.10 0.00 0.00 66.02 64.61 1zzu s SER 491 CO 0.00 -1.63 -0.18 -0.89 0.98 0.00 0.00 173.24 171.52 1zzu s THR 492 N -3.44 1.56 -0.15 2.02 2.01 -1.26 -0.61 115.64 115.77 1zzu s THR 492 Ca 0.60 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.77 1zzu s THR 492 Cb -0.11 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 1zzu s THR 492 CO 0.49 0.45 0.07 -0.22 -0.69 0.00 0.00 174.62 174.72 1zzu s LEU 493 N 0.20 3.91 0.00 4.42 2.96 0.01 -4.93 118.68 125.24 1zzu s LEU 493 Ca -0.09 0.19 0.00 0.00 -0.22 0.00 0.00 54.13 54.01 1zzu s LEU 493 Cb -0.14 -1.96 0.00 0.00 0.50 0.00 0.00 46.19 44.59 1zzu s LEU 493 CO 0.04 0.27 0.00 0.61 -1.32 0.00 0.00 176.35 175.95 1zzu n GLY 494 N 2.87 -0.27 3.53 7.98 0.00 -1.26 0.11 105.19 118.15 1zzu n GLY 494 Ca -0.18 -1.32 -0.43 0.00 0.00 0.00 0.00 46.02 44.10 1zzu n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zzu s ASP 495 N -4.00 6.34 0.53 1.61 -1.08 -0.72 -4.81 116.67 114.53 1zzu s ASP 495 Ca 0.00 -0.27 0.24 0.00 -0.52 0.00 0.00 52.55 52.00 1zzu s ASP 495 Cb 0.00 -2.32 1.40 0.00 -1.46 0.00 0.00 42.92 40.54 1zzu s ASP 495 CO 0.00 -0.75 2.02 -0.65 0.52 0.00 0.00 175.17 176.31 1zzu h PRO 496 N 8.82 0.00 0.00 4.34 0.11 -1.82 -1.97 132.00 141.48 1zzu h PRO 496 Ca -0.26 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.85 1zzu h PRO 496 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1zzu h PRO 496 CO 0.88 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.64 1zzu h ALA 497 N 1.77 1.53 -0.34 -0.75 0.00 -1.92 -3.03 119.26 116.51 1zzu h ALA 497 Ca 0.21 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 1zzu h ALA 497 Cb 0.85 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.61 1zzu h ALA 497 CO -0.00 0.05 0.02 0.09 0.00 0.00 0.00 179.25 179.40 1zzu n ASN 498 N -3.90 4.01 -0.03 0.00 3.02 -0.74 -4.71 115.26 112.91 1zzu n ASN 498 Ca -0.03 -3.11 -0.10 0.00 -0.03 0.00 0.00 54.58 51.31 1zzu n ASN 498 Cb 0.13 -0.59 -0.04 0.00 -0.61 0.00 0.00 39.78 38.67 1zzu n ASN 498 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1zzu h VAL 499 N 2.01 1.03 -0.16 2.41 2.07 -1.66 -0.49 116.25 121.47 1zzu h VAL 499 Ca 0.05 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1zzu h VAL 499 Cb 1.60 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 32.16 1zzu h VAL 499 CO 0.32 0.04 0.08 -0.61 0.02 0.00 0.00 177.57 177.42 1zzu h GLN 500 N 0.22 0.23 -0.76 1.57 4.15 -1.86 -1.11 115.11 117.55 1zzu h GLN 500 Ca 0.06 -0.03 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 1zzu h GLN 500 Cb -0.02 -0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.59 1zzu h GLN 500 CO -0.02 0.26 0.30 0.35 -1.93 0.00 0.00 178.83 177.79 1zzu h PHE 501 N 0.14 1.15 -0.65 3.99 3.57 -1.88 -2.15 116.94 121.12 1zzu h PHE 501 Ca 0.06 -0.08 0.02 0.00 3.53 0.00 0.00 57.97 61.49 1zzu h PHE 501 Cb 0.10 -0.35 -0.04 0.00 2.79 0.00 0.00 35.95 38.46 1zzu h PHE 501 CO -0.03 0.88 0.41 1.15 -2.23 0.00 0.00 178.31 178.49 1zzu h THR 502 N 1.11 1.12 -0.68 4.41 2.02 -0.83 -0.96 112.91 119.10 1zzu h THR 502 Ca 0.25 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.12 1zzu h THR 502 Cb 0.21 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 1zzu h THR 502 CO -0.02 0.15 0.32 -0.33 0.37 0.00 0.00 175.52 176.02 1zzu h GLU 503 N 0.83 0.96 -0.36 6.66 5.08 -0.75 -1.20 114.58 125.82 1zzu h GLU 503 Ca 0.25 -0.13 -0.03 0.00 -1.00 0.00 0.00 59.36 58.46 1zzu h GLU 503 Cb -0.03 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1zzu h GLU 503 CO -0.08 0.75 0.12 0.82 -1.00 0.00 0.00 179.01 179.61 1zzu h ILE 504 N 0.96 1.21 -0.46 3.13 2.04 -0.71 -0.59 117.51 123.08 1zzu h ILE 504 Ca 0.24 -0.67 0.02 0.00 1.00 0.00 0.00 64.86 65.44 1zzu h ILE 504 Cb 0.10 0.98 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 1zzu h ILE 504 CO -0.03 0.23 0.28 0.00 0.00 0.00 0.00 178.15 178.64 1zzu h ILE 506 N 0.57 1.11 -0.30 0.00 2.04 -1.07 -0.72 117.51 119.13 1zzu h ILE 506 Ca 0.18 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.79 1zzu h ILE 506 Cb -0.01 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 36.99 1zzu h ILE 506 CO -0.07 0.10 0.20 -0.61 0.00 0.00 0.00 178.15 177.77 1zzu h GLN 507 N 0.22 0.25 0.00 2.37 4.15 -0.68 0.11 115.11 121.52 1zzu h GLN 507 Ca 0.07 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.47 1zzu h GLN 507 Cb 0.07 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.70 1zzu h GLN 507 CO -0.01 0.16 0.00 1.04 -1.93 0.00 0.00 178.83 178.09 1zzu n GLN 508 N -4.49 0.63 0.00 1.69 1.13 -0.00 -4.89 117.38 111.44 1zzu n GLN 508 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1zzu n GLN 508 Cb 0.19 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.04 1zzu n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1zzu n GLY 509 N 1.13 0.96 3.74 1.08 0.00 0.38 -4.93 105.19 107.56 1zzu n GLY 509 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1zzu n GLY 509 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1zzu s TRP 510 N -2.00 3.17 -0.63 1.61 -0.00 -0.36 -4.96 118.94 115.77 1zzu s TRP 510 Ca 0.00 1.17 -0.19 0.00 -0.00 0.00 0.00 56.10 57.09 1zzu s TRP 510 Cb 0.00 -3.67 0.11 0.00 -0.00 0.00 0.00 33.47 29.91 1zzu s TRP 510 CO 0.00 -2.12 0.74 0.15 -0.00 0.00 0.00 176.95 175.72 1zzu s LYS 511 N -0.32 3.12 -0.04 5.86 -0.14 -1.26 -4.46 119.74 122.50 1zzu s LYS 511 Ca 0.57 -1.42 -0.30 0.00 -1.36 0.00 0.00 55.97 53.46 1zzu s LYS 511 Cb -0.38 -4.32 -0.04 0.00 -1.68 0.00 0.00 37.83 31.40 1zzu s LYS 511 CO 0.41 -1.55 1.30 0.00 -0.76 0.00 0.00 175.35 174.75 1zzu s ALA 512 N 2.54 3.54 -0.58 5.17 0.00 -1.26 -4.91 121.76 126.27 1zzu s ALA 512 Ca 0.13 0.72 0.23 0.00 0.00 0.00 0.00 51.96 53.05 1zzu s ALA 512 Cb -0.22 -3.56 0.93 0.00 0.00 0.00 0.00 23.12 20.27 1zzu s ALA 512 CO 0.04 -0.87 1.70 -0.35 0.00 0.00 0.00 175.76 176.29 1zzu n PRO 513 N 5.41 0.18 -3.59 0.00 -0.04 -1.26 -4.93 135.00 130.77 1zzu n PRO 513 Ca 0.12 0.37 -0.23 0.00 -0.04 0.00 0.00 63.50 63.72 1zzu n PRO 513 Cb 0.45 -1.82 0.05 0.00 -0.04 0.00 0.00 33.50 32.13 1zzu n PRO 513 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1zzu n ARG 514 N -2.16 -3.26 -2.11 0.54 1.74 -1.26 -5.04 116.66 105.11 1zzu n ARG 514 Ca 0.03 0.63 -0.05 0.00 -0.77 0.00 0.00 57.85 57.69 1zzu n ARG 514 Cb 0.26 -5.01 -0.00 0.00 -1.02 0.00 0.00 32.46 26.68 1zzu n ARG 514 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1zzu n GLY 515 N -1.52 3.47 0.11 -0.13 0.00 -1.26 -5.05 105.19 100.81 1zzu n GLY 515 Ca -0.19 -2.21 0.12 0.00 0.00 0.00 0.00 46.02 43.74 1zzu n GLY 515 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1zzu h ARG 516 N 0.00 0.00 -1.87 1.61 2.43 -1.92 -3.38 114.38 111.24 1zzu h ARG 516 Ca -0.06 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.63 1zzu h ARG 516 Cb 0.21 0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.35 1zzu h ARG 516 CO 0.10 0.00 -1.11 1.19 -1.51 0.00 0.00 179.97 178.63 1zzu n PHE 517 N -2.54 0.92 -3.10 2.20 3.01 -1.26 -4.22 117.46 112.46 1zzu n PHE 517 Ca 0.02 -3.67 -0.40 0.00 1.01 0.00 0.00 57.45 54.40 1zzu n PHE 517 Cb 0.51 -0.41 -0.06 0.00 -0.01 0.00 0.00 39.48 39.50 1zzu n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1zzu s ASP 518 N -2.70 6.66 -0.02 4.37 1.01 -1.26 -4.94 116.67 119.79 1zzu s ASP 518 Ca 0.39 0.80 -0.30 0.00 0.71 0.00 0.00 52.55 54.16 1zzu s ASP 518 Cb 0.36 -2.35 -0.06 0.00 1.01 0.00 0.00 42.92 41.88 1zzu s ASP 518 CO -0.07 -0.31 1.48 -0.69 0.21 0.00 0.00 175.17 175.78 1zzu s VAL 519 N 2.14 3.63 0.65 -1.27 1.01 -1.26 -0.46 120.40 124.85 1zzu s VAL 519 Ca 0.28 0.96 -0.15 0.00 0.00 0.00 0.00 61.98 63.07 1zzu s VAL 519 Cb -0.16 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 1zzu s VAL 519 CO 0.10 -0.03 1.12 -0.76 0.00 0.00 0.00 175.10 175.53 1zzu s LEU 520 N 2.88 3.41 0.56 3.92 1.43 0.01 -4.88 118.68 126.02 1zzu s LEU 520 Ca 0.67 2.03 -0.08 0.00 -1.03 0.00 0.00 54.13 55.72 1zzu s LEU 520 Cb -0.32 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.31 1zzu s LEU 520 CO 0.27 -1.63 0.91 -2.16 0.23 0.00 0.00 176.35 173.97 1zzu s PRO 521 N -4.02 3.53 0.14 1.29 0.04 -1.26 -4.75 135.00 129.96 1zzu s PRO 521 Ca 0.68 0.46 -0.25 0.00 0.04 0.00 0.00 61.00 61.93 1zzu s PRO 521 Cb -0.21 -2.22 -0.07 0.00 0.04 0.00 0.00 34.50 32.03 1zzu s PRO 521 CO 0.40 -0.41 0.77 -0.51 0.04 0.00 0.00 177.00 177.29 1zzu s LEU 522 N -4.97 4.56 -0.30 -3.56 1.43 0.15 -4.90 118.68 111.10 1zzu s LEU 522 Ca 0.51 1.60 0.02 0.00 -1.03 0.00 0.00 54.13 55.24 1zzu s LEU 522 Cb -0.11 -3.28 0.08 0.00 0.03 0.00 0.00 46.19 42.91 1zzu s LEU 522 CO 0.49 0.17 -0.03 -0.22 0.23 0.00 0.00 176.35 177.00 1zzu s LEU 523 N -0.90 4.05 -0.10 1.79 2.96 -1.26 -1.13 118.68 124.09 1zzu s LEU 523 Ca 0.36 -1.68 0.01 0.00 -0.22 0.00 0.00 54.13 52.60 1zzu s LEU 523 Cb -0.23 -1.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.83 1zzu s LEU 523 CO 0.25 -0.28 -0.11 -0.76 -1.32 0.00 0.00 176.35 174.13 1zzu s LEU 524 N 1.05 2.85 -0.18 -0.68 1.43 0.07 -1.36 118.68 121.86 1zzu s LEU 524 Ca -0.01 -0.22 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1zzu s LEU 524 Cb -0.20 -1.62 -0.00 0.00 0.03 0.00 0.00 46.19 44.40 1zzu s LEU 524 CO -0.06 0.25 -0.12 -1.58 0.23 0.00 0.00 176.35 175.08 1zzu s GLN 525 N -0.17 3.25 -0.07 1.70 0.74 -0.30 -0.24 119.66 124.57 1zzu s GLN 525 Ca 0.00 -0.71 0.06 0.00 0.05 0.00 0.00 55.36 54.76 1zzu s GLN 525 Cb -0.13 -2.76 -0.01 0.00 1.10 0.00 0.00 33.01 31.21 1zzu s GLN 525 CO 0.03 -0.09 -0.24 0.00 -0.55 0.00 0.00 175.29 174.44 1zzu s ALA 526 N 1.11 2.14 -1.42 1.58 0.00 -1.26 -1.11 121.76 122.80 1zzu s ALA 526 Ca 0.01 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 50.88 1zzu s ALA 526 Cb -0.14 -0.70 0.04 0.00 0.00 0.00 0.00 23.12 22.32 1zzu s ALA 526 CO -0.04 0.38 0.57 -1.71 0.00 0.00 0.00 175.76 174.96 1zzu n ASN 527 N 3.09 -4.95 0.00 0.00 4.05 -1.22 -1.69 115.26 114.54 1zzu n ASN 527 Ca -0.18 -0.34 0.00 0.00 0.45 0.00 0.00 54.58 54.51 1zzu n ASN 527 Cb 0.52 -4.03 0.00 0.00 1.23 0.00 0.00 39.78 37.50 1zzu n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1zzu n GLY 528 N -1.37 0.66 3.82 8.20 0.00 0.47 -4.53 105.19 112.44 1zzu n GLY 528 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.67 1zzu n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1zzu s ASN 529 N -2.60 3.70 0.51 1.61 0.01 -0.68 -4.88 114.94 112.61 1zzu s ASN 529 Ca 0.00 0.88 -0.22 0.00 -0.71 0.00 0.00 52.86 52.81 1zzu s ASN 529 Cb 0.00 -1.41 -0.06 0.00 0.41 0.00 0.00 41.25 40.19 1zzu s ASN 529 CO 0.00 -2.42 1.27 -1.81 -1.51 0.00 0.00 177.10 172.63 1zzu s ASP 530 N -4.20 5.63 0.69 -1.22 1.01 -1.26 -4.42 116.67 112.90 1zzu s ASP 530 Ca 0.64 2.55 -0.14 0.00 0.71 0.00 0.00 52.55 56.32 1zzu s ASP 530 Cb -0.13 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.19 1zzu s ASP 530 CO 0.52 -1.30 1.11 -2.16 0.21 0.00 0.00 175.17 173.55 1zzu s PRO 531 N -2.84 2.62 0.05 8.23 0.04 -1.26 -4.72 135.00 137.11 1zzu s PRO 531 Ca 0.69 1.34 0.07 0.00 0.04 0.00 0.00 61.00 63.14 1zzu s PRO 531 Cb -0.35 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 1zzu s PRO 531 CO 0.42 -1.38 -0.19 -1.21 0.04 0.00 0.00 177.00 174.67 1zzu s GLU 532 N -4.31 1.20 0.07 4.56 2.02 0.67 -4.87 118.70 118.04 1zzu s GLU 532 Ca 0.66 -0.92 -0.20 0.00 0.02 0.00 0.00 54.97 54.52 1zzu s GLU 532 Cb -0.20 -1.31 -0.07 0.00 0.10 0.00 0.00 34.13 32.66 1zzu s GLU 532 CO 0.46 0.33 0.60 -0.51 0.02 0.00 0.00 175.26 176.15 1zzu s LEU 533 N -1.29 4.51 -0.08 1.80 1.43 -1.26 -0.75 118.68 123.04 1zzu s LEU 533 Ca 0.05 1.28 -0.08 0.00 -1.03 0.00 0.00 54.13 54.36 1zzu s LEU 533 Cb -0.09 -2.94 0.02 0.00 0.03 0.00 0.00 46.19 43.21 1zzu s LEU 533 CO 0.02 0.23 0.22 -0.36 0.23 0.00 0.00 176.35 176.69 1zzu s PHE 534 N -0.92 -0.23 -0.20 0.29 0.40 -0.28 -4.98 117.98 112.05 1zzu s PHE 534 Ca 0.30 0.57 -0.11 0.00 -0.60 0.00 0.00 56.93 57.09 1zzu s PHE 534 Cb -0.20 0.08 -0.05 0.00 0.51 0.00 0.00 43.02 43.36 1zzu s PHE 534 CO 0.19 -0.12 0.18 -1.14 0.70 0.00 0.00 175.22 175.03 1zzu s GLN 535 N 0.06 4.18 0.13 0.44 0.74 -1.26 0.33 119.66 124.28 1zzu s GLN 535 Ca -0.01 -0.16 -0.31 0.00 0.05 0.00 0.00 55.36 54.94 1zzu s GLN 535 Cb -0.02 -3.45 -0.08 0.00 1.10 0.00 0.00 33.01 30.57 1zzu s GLN 535 CO 0.00 0.23 1.32 0.42 -0.55 0.00 0.00 175.29 176.72 1zzu s ILE 536 N 0.55 3.44 -0.14 -2.34 1.01 -1.26 -4.89 121.20 117.57 1zzu s ILE 536 Ca 0.10 1.07 -0.37 0.00 0.00 0.00 0.00 60.65 61.45 1zzu s ILE 536 Cb -0.12 -3.69 -0.14 0.00 0.01 0.00 0.00 42.46 38.52 1zzu s ILE 536 CO 0.01 0.11 1.76 -2.65 0.00 0.00 0.00 174.94 174.16 1zzu n PRO 537 N 3.55 1.65 -0.33 2.79 -0.02 -1.26 -4.81 135.00 136.57 1zzu n PRO 537 Ca 0.09 0.60 0.21 0.00 -2.02 0.00 0.00 63.50 62.39 1zzu n PRO 537 Cb 0.43 -2.36 0.47 0.00 -0.02 0.00 0.00 33.50 32.02 1zzu n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1zzu h PRO 538 N 7.73 0.44 0.00 0.52 0.11 -1.95 0.10 132.00 138.95 1zzu h PRO 538 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1zzu h PRO 538 Cb 1.30 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1zzu h PRO 538 CO 0.94 0.29 0.00 -0.85 -0.21 0.00 0.00 178.00 178.17 1zzu n GLU 539 N -4.72 0.09 0.00 1.05 0.00 -1.26 -1.91 120.64 113.90 1zzu n GLU 539 Ca 0.26 0.41 0.11 0.00 0.00 0.00 0.00 57.16 57.94 1zzu n GLU 539 Cb 0.84 -1.71 0.03 0.00 0.00 0.00 0.00 31.44 30.61 1zzu n GLU 539 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1zzu n LEU 540 N -1.89 0.79 -4.37 -1.84 4.77 0.35 -4.79 117.00 110.02 1zzu n LEU 540 Ca 0.02 -0.29 -0.45 0.00 -0.03 0.00 0.00 56.01 55.26 1zzu n LEU 540 Cb 0.15 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 41.09 1zzu n LEU 540 CO 0.14 0.19 0.41 -0.69 -1.33 0.00 0.00 177.39 176.11 1zzu s VAL 541 N -3.01 4.86 -0.03 4.08 1.01 -0.80 -4.78 120.40 121.73 1zzu s VAL 541 Ca 0.09 -1.07 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 1zzu s VAL 541 Cb 0.17 -4.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.03 1zzu s VAL 541 CO 0.80 -1.12 0.97 -0.22 0.00 0.00 0.00 175.10 175.53 1zzu s LEU 542 N 2.57 4.34 0.11 3.92 2.96 -1.26 -5.02 118.68 126.30 1zzu s LEU 542 Ca 0.11 1.61 0.06 0.00 -0.22 0.00 0.00 54.13 55.69 1zzu s LEU 542 Cb -0.24 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.87 1zzu s LEU 542 CO 0.05 -0.30 -0.15 -1.61 -1.32 0.00 0.00 176.35 173.03 1zzu s GLU 543 N 1.25 1.01 -0.17 1.98 2.02 -1.26 -1.09 118.70 122.44 1zzu s GLU 543 Ca 0.50 -1.20 0.01 0.00 0.02 0.00 0.00 54.97 54.30 1zzu s GLU 543 Cb -0.20 -0.96 0.03 0.00 0.10 0.00 0.00 34.13 33.10 1zzu s GLU 543 CO 0.25 0.19 -0.13 0.08 0.02 0.00 0.00 175.26 175.67 1zzu s VAL 544 N -1.92 1.63 0.14 2.63 1.01 0.45 -4.90 120.40 119.44 1zzu s VAL 544 Ca 0.07 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.98 1zzu s VAL 544 Cb -0.06 -1.58 -0.07 0.00 0.00 0.00 0.00 36.38 34.67 1zzu s VAL 544 CO 0.03 0.38 1.25 -2.84 0.00 0.00 0.00 175.10 173.93 1zzu s PRO 545 N 1.44 4.42 -0.18 2.72 0.02 -1.26 -2.09 135.00 140.07 1zzu s PRO 545 Ca 0.03 1.92 -0.17 0.00 0.02 0.00 0.00 61.00 62.80 1zzu s PRO 545 Cb -0.14 -3.26 -0.04 0.00 0.02 0.00 0.00 34.50 31.08 1zzu s PRO 545 CO -0.10 -0.23 0.44 0.42 -0.33 0.00 0.00 177.00 177.20 1zzu s ILE 546 N 0.52 5.18 0.21 2.83 -1.09 -0.49 -4.86 121.20 123.50 1zzu s ILE 546 Ca 0.57 0.81 -0.00 0.00 -2.23 0.00 0.00 60.65 59.81 1zzu s ILE 546 Cb -0.33 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 1zzu s ILE 546 CO 0.33 0.25 0.10 0.00 -1.23 0.00 0.00 174.94 174.40 1zzu s ARG 547 N 1.21 1.23 -0.00 2.79 3.03 -1.26 -4.17 118.95 121.78 1zzu s ARG 547 Ca 0.22 -1.64 0.05 0.00 2.03 0.00 0.00 55.73 56.38 1zzu s ARG 547 Cb -0.15 0.05 -0.03 0.00 -1.03 0.00 0.00 34.95 33.79 1zzu s ARG 547 CO 0.09 -0.32 -0.14 -1.58 -1.13 0.00 0.00 175.30 172.21 1zzu s HIS 548 N -3.98 2.67 0.48 5.89 2.46 -1.26 -4.44 115.29 117.12 1zzu s HIS 548 Ca 0.36 -0.18 0.27 0.00 0.47 0.00 0.00 55.06 55.97 1zzu s HIS 548 Cb 0.07 -1.55 1.53 0.00 -0.13 0.00 0.00 32.58 32.50 1zzu s HIS 548 CO 0.11 0.25 2.13 -1.00 -2.47 0.00 0.00 174.74 173.76 1zzu h PRO 549 N 4.84 0.00 0.00 2.88 0.13 -1.92 -3.32 132.00 134.60 1zzu h PRO 549 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1zzu h PRO 549 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1zzu h PRO 549 CO 0.50 0.08 -1.04 1.63 -0.23 0.00 0.00 178.00 178.94 1zzu n LYS 550 N -3.80 3.32 -3.11 0.86 5.02 -1.26 -4.94 118.16 114.24 1zzu n LYS 550 Ca -0.02 -0.00 -0.44 0.00 -2.02 0.00 0.00 58.31 55.82 1zzu n LYS 550 Cb 0.18 -1.02 -0.05 0.00 -0.02 0.00 0.00 35.03 34.12 1zzu n LYS 550 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1zzu s PHE 551 N -2.02 3.00 0.14 2.13 0.08 -1.25 -4.91 117.98 115.15 1zzu s PHE 551 Ca -0.00 -0.83 0.34 0.00 0.12 0.00 0.00 56.93 56.56 1zzu s PHE 551 Cb 0.00 -3.90 1.58 0.00 -0.57 0.00 0.00 43.02 40.13 1zzu s PHE 551 CO 0.03 -1.24 2.02 0.22 -0.10 0.00 0.00 175.22 176.15 1zzu h ASP 552 N 9.15 0.00 1.23 1.36 3.58 -1.92 -2.38 116.42 127.44 1zzu h ASP 552 Ca -0.29 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.16 1zzu h ASP 552 Cb 1.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.14 1zzu h ASP 552 CO 1.07 0.00 0.00 -2.67 -2.88 0.00 0.00 179.24 174.76 1zzu n TRP 553 N -2.90 0.48 -0.31 0.28 4.27 -1.26 -3.82 117.44 114.18 1zzu n TRP 553 Ca -0.00 0.14 -0.04 0.00 -3.89 0.00 0.00 57.50 53.71 1zzu n TRP 553 Cb 0.21 -0.73 0.08 0.00 -1.36 0.00 0.00 31.31 29.51 1zzu n TRP 553 CO 0.00 0.00 0.00 0.35 -2.29 0.00 0.00 177.69 175.75 1zzu h PHE 554 N 0.00 1.12 -0.37 -2.67 3.04 -1.79 -2.25 116.94 114.01 1zzu h PHE 554 Ca 0.00 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.00 1zzu h PHE 554 Cb 0.62 -0.36 -0.02 0.00 2.56 0.00 0.00 35.95 38.74 1zzu h PHE 554 CO 0.00 0.76 0.25 1.57 -2.02 0.00 0.00 178.31 178.87 1zzu h LYS 555 N 1.15 0.24 0.00 1.11 2.10 -1.72 -0.89 116.57 118.56 1zzu h LYS 555 Ca 0.30 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 1zzu h LYS 555 Cb -0.02 -0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.26 1zzu h LYS 555 CO -0.05 0.16 0.00 -0.25 -2.00 0.00 0.00 179.45 177.31 1zzu n ASP 556 N -4.48 0.00 0.08 7.07 8.00 -0.85 -1.82 116.55 124.56 1zzu n ASP 556 Ca 0.05 -0.74 0.12 0.00 0.71 0.00 0.00 54.79 54.93 1zzu n ASP 556 Cb 0.26 0.00 0.46 0.00 -0.02 0.00 0.00 41.12 41.82 1zzu n ASP 556 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1zzu n LEU 557 N -0.97 0.54 -0.86 0.64 4.77 -0.34 -4.90 117.00 115.88 1zzu n LEU 557 Ca 0.16 0.58 -0.09 0.00 -0.03 0.00 0.00 56.01 56.63 1zzu n LEU 557 Cb 0.07 -0.45 -0.03 0.00 -2.33 0.00 0.00 43.42 40.69 1zzu n LEU 557 CO 0.12 -0.28 -0.10 0.61 -1.33 0.00 0.00 177.39 176.41 1zzu n GLY 558 N 0.78 0.66 3.88 -0.72 0.00 -0.76 -5.02 105.19 104.01 1zzu n GLY 558 Ca 0.04 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.20 1zzu n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1zzu s LEU 559 N -2.37 4.03 0.21 0.99 1.43 -1.26 -5.02 118.68 116.68 1zzu s LEU 559 Ca 0.00 0.94 -0.23 0.00 -1.03 0.00 0.00 54.13 53.81 1zzu s LEU 559 Cb 0.00 -3.75 0.04 0.00 0.03 0.00 0.00 46.19 42.51 1zzu s LEU 559 CO 0.00 -0.22 0.76 -1.59 0.23 0.00 0.00 176.35 175.53 1zzu s LYS 560 N -3.37 1.50 0.09 1.70 -2.85 -1.26 -1.39 119.74 114.16 1zzu s LYS 560 Ca 0.48 -0.77 -0.14 0.00 -1.00 0.00 0.00 55.97 54.54 1zzu s LYS 560 Cb -0.11 0.55 0.02 0.00 -2.06 0.00 0.00 37.83 36.24 1zzu s LYS 560 CO 0.27 -0.68 0.32 -0.46 0.10 0.00 0.00 175.35 174.90 1zzu s TRP 561 N -3.70 -0.09 0.37 1.78 -0.11 -0.89 -4.93 118.94 111.37 1zzu s TRP 561 Ca 0.09 -0.20 -0.21 0.00 1.22 0.00 0.00 56.10 57.00 1zzu s TRP 561 Cb -0.04 0.14 -0.10 0.00 -1.50 0.00 0.00 33.47 31.97 1zzu s TRP 561 CO 0.01 -0.61 0.88 1.52 -4.62 0.00 0.00 176.95 174.13 1zzu s TYR 562 N -3.47 3.43 -0.22 5.86 -0.85 -1.26 -0.41 117.35 120.42 1zzu s TYR 562 Ca 0.01 1.54 0.17 0.00 -0.52 0.00 0.00 57.07 58.27 1zzu s TYR 562 Cb 0.02 -2.78 0.13 0.00 0.38 0.00 0.00 41.96 39.71 1zzu s TYR 562 CO -0.09 0.04 1.48 0.78 -1.52 0.00 0.00 175.55 176.23 1zzu h GLY 563 N 2.36 0.00 -7.44 5.49 0.00 -1.46 -3.45 103.07 98.57 1zzu h GLY 563 Ca -0.48 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.12 1zzu h GLY 563 CO 0.63 0.00 -0.42 -2.27 0.00 0.00 0.00 176.54 174.48 1zzu s LEU 564 N -6.41 5.20 -0.28 3.11 2.96 -1.26 -4.57 118.68 117.43 1zzu s LEU 564 Ca 0.05 -1.19 -0.25 0.00 -0.22 0.00 0.00 54.13 52.51 1zzu s LEU 564 Cb 0.07 -2.10 0.00 0.00 0.50 0.00 0.00 46.19 44.66 1zzu s LEU 564 CO 0.73 -0.52 0.85 -2.16 -1.32 0.00 0.00 176.35 173.92 1zzu s PRO 565 N 1.58 4.07 -0.39 0.98 0.04 -1.26 -4.70 135.00 135.33 1zzu s PRO 565 Ca 0.03 0.80 0.01 0.00 0.04 0.00 0.00 61.00 61.89 1zzu s PRO 565 Cb -0.22 -3.70 0.14 0.00 0.04 0.00 0.00 34.50 30.77 1zzu s PRO 565 CO 0.06 -0.64 0.24 0.00 0.04 0.00 0.00 177.00 176.70 1zzu s ALA 566 N 3.01 1.31 0.08 8.56 0.00 -1.26 -3.46 121.76 129.99 1zzu s ALA 566 Ca 0.35 -2.15 -0.32 0.00 0.00 0.00 0.00 51.96 49.85 1zzu s ALA 566 Cb -0.14 -1.67 -0.11 0.00 0.00 0.00 0.00 23.12 21.20 1zzu s ALA 566 CO 0.11 -2.08 1.86 0.28 0.00 0.00 0.00 175.76 175.93 1zzu n VAL 567 N 3.69 0.45 -0.26 0.00 0.31 -0.83 -0.99 118.33 120.72 1zzu n VAL 567 Ca 0.15 -0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1zzu n VAL 567 Cb 0.38 -2.09 0.00 0.00 -0.91 0.00 0.00 33.84 31.22 1zzu n VAL 567 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1zzu n SER 568 N 6.01 1.39 -0.40 4.52 3.41 -0.12 -1.81 113.62 126.63 1zzu n SER 568 Ca 0.19 -1.64 0.04 0.00 -0.26 0.00 0.00 58.87 57.19 1zzu n SER 568 Cb 0.36 0.00 0.10 0.00 -0.26 0.00 0.00 64.21 64.42 1zzu n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1zzu n ASN 569 N -0.32 2.63 -4.96 4.04 6.94 -1.22 -4.40 115.26 117.98 1zzu n ASN 569 Ca 0.00 -2.11 -0.23 0.00 -0.02 0.00 0.00 54.58 52.22 1zzu n ASN 569 Cb 0.28 -0.18 0.02 0.00 -2.36 0.00 0.00 39.78 37.54 1zzu n ASN 569 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1zzu s MET 570 N -1.20 2.92 -0.12 -3.83 -1.94 -1.26 -4.34 119.30 109.53 1zzu s MET 570 Ca 0.16 -0.55 -0.01 0.00 -1.71 0.00 0.00 55.69 53.58 1zzu s MET 570 Cb 0.10 -2.53 -0.02 0.00 2.01 0.00 0.00 34.83 34.39 1zzu s MET 570 CO 0.09 -0.41 -0.08 -1.17 -0.01 0.00 0.00 175.02 173.44 1zzu s LEU 571 N -4.63 3.00 -0.30 -0.03 0.20 0.07 -4.34 118.68 112.65 1zzu s LEU 571 Ca 0.51 -0.19 -0.11 0.00 0.69 0.00 0.00 54.13 55.03 1zzu s LEU 571 Cb -0.10 -1.69 -0.04 0.00 -0.43 0.00 0.00 46.19 43.94 1zzu s LEU 571 CO 0.38 0.21 0.19 -0.22 -0.29 0.00 0.00 176.35 176.63 1zzu s LEU 572 N 0.09 4.11 -0.22 -0.68 2.96 -0.49 -0.63 118.68 123.81 1zzu s LEU 572 Ca -0.03 -0.18 -0.07 0.00 -0.22 0.00 0.00 54.13 53.63 1zzu s LEU 572 Cb -0.14 -2.10 -0.03 0.00 0.50 0.00 0.00 46.19 44.42 1zzu s LEU 572 CO 0.04 -0.11 0.07 -0.70 -1.32 0.00 0.00 176.35 174.32 1zzu s GLU 573 N 1.73 3.77 -0.14 1.98 2.12 -0.12 -0.83 118.70 127.20 1zzu s GLU 573 Ca 0.07 -0.43 -0.02 0.00 0.36 0.00 0.00 54.97 54.95 1zzu s GLU 573 Cb -0.16 -3.28 0.04 0.00 0.26 0.00 0.00 34.13 30.99 1zzu s GLU 573 CO 0.10 -0.01 -0.00 0.42 -0.54 0.00 0.00 175.26 175.22 1zzu s ILE 574 N 1.14 0.62 -1.49 -3.70 1.01 -0.76 -1.84 121.20 116.18 1zzu s ILE 574 Ca 0.04 -0.31 -0.12 0.00 0.00 0.00 0.00 60.65 60.27 1zzu s ILE 574 Cb -0.14 -0.90 0.07 0.00 0.01 0.00 0.00 42.46 41.49 1zzu s ILE 574 CO 0.03 0.07 0.88 0.61 0.00 0.00 0.00 174.94 176.53 1zzu n GLY 575 N 5.04 -0.50 2.37 6.18 0.00 -1.26 -1.20 105.19 115.82 1zzu n GLY 575 Ca -0.09 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1zzu n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zzu n GLY 576 N -1.62 2.58 3.81 -0.02 0.00 -1.26 -3.60 105.19 105.09 1zzu n GLY 576 Ca 0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1zzu n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1zzu s LEU 577 N 0.00 4.28 -0.24 0.99 1.43 -0.34 -4.95 118.68 119.85 1zzu s LEU 577 Ca 0.00 1.50 -0.02 0.00 -1.03 0.00 0.00 54.13 54.59 1zzu s LEU 577 Cb 0.00 -3.79 0.02 0.00 0.03 0.00 0.00 46.19 42.45 1zzu s LEU 577 CO 0.00 -0.04 -0.08 -1.61 0.23 0.00 0.00 176.35 174.85 1zzu s GLU 578 N -2.19 2.92 -0.67 1.70 2.02 -1.26 -1.83 118.70 119.39 1zzu s GLU 578 Ca 0.47 -0.91 -0.11 0.00 0.02 0.00 0.00 54.97 54.44 1zzu s GLU 578 Cb -0.16 -2.93 0.17 0.00 0.10 0.00 0.00 34.13 31.31 1zzu s GLU 578 CO 0.21 -0.35 0.57 -0.06 0.02 0.00 0.00 175.26 175.65 1zzu s PHE 579 N 1.34 3.54 -0.99 1.61 0.40 -0.01 -0.16 117.98 123.70 1zzu s PHE 579 Ca 0.01 -2.01 0.18 0.00 -0.60 0.00 0.00 56.93 54.51 1zzu s PHE 579 Cb -0.16 -3.62 0.75 0.00 0.51 0.00 0.00 43.02 40.50 1zzu s PHE 579 CO -0.05 -0.96 1.56 -1.13 0.70 0.00 0.00 175.22 175.34 1zzu n SER 580 N 4.26 0.01 -3.73 1.36 3.41 -1.26 -1.40 113.62 116.27 1zzu n SER 580 Ca 0.04 0.50 -0.29 0.00 -0.26 0.00 0.00 58.87 58.86 1zzu n SER 580 Cb 0.43 -0.50 -0.15 0.00 -0.26 0.00 0.00 64.21 63.72 1zzu n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1zzu s ALA 581 N -3.00 1.39 -0.38 7.33 0.00 -1.22 -4.62 121.76 121.25 1zzu s ALA 581 Ca 0.08 -1.42 0.12 0.00 0.00 0.00 0.00 51.96 50.74 1zzu s ALA 581 Cb 0.11 -1.51 0.37 0.00 0.00 0.00 0.00 23.12 22.10 1zzu s ALA 581 CO 0.32 -1.54 0.94 0.00 0.00 0.00 0.00 175.76 175.48 1zzu n PRO 583 N 0.12 1.71 -4.17 0.00 -0.04 -1.18 -4.67 135.00 126.77 1zzu n PRO 583 Ca 0.14 0.61 -0.13 0.00 -0.04 0.00 0.00 63.50 64.08 1zzu n PRO 583 Cb 0.73 -2.26 -0.11 0.00 -0.04 0.00 0.00 33.50 31.82 1zzu n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1zzu s PHE 584 N 0.26 0.97 -0.01 0.54 -0.12 -0.75 -1.29 117.98 117.58 1zzu s PHE 584 Ca 0.75 -0.74 -0.16 0.00 -0.05 0.00 0.00 56.93 56.73 1zzu s PHE 584 Cb -0.76 -0.54 0.03 0.00 -0.63 0.00 0.00 43.02 41.12 1zzu s PHE 584 CO 0.47 -0.06 0.33 -1.54 -0.05 0.00 0.00 175.22 174.37 1zzu s SER 585 N -2.63 -0.21 0.00 1.98 1.04 -0.06 -1.95 113.70 111.87 1zzu s SER 585 Ca 0.07 0.09 0.00 0.00 0.48 0.00 0.00 55.95 56.59 1zzu s SER 585 Cb -0.00 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.45 1zzu s SER 585 CO -0.02 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1zzu n GLY 586 N 1.16 2.53 3.40 7.32 0.00 -1.23 -1.45 105.19 116.92 1zzu n GLY 586 Ca -0.21 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.42 1zzu n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1zzu s TRP 587 N 2.04 -0.46 0.44 1.61 -2.14 -1.26 -4.64 118.94 114.52 1zzu s TRP 587 Ca 0.00 0.26 -0.23 0.00 2.66 0.00 0.00 56.10 58.79 1zzu s TRP 587 Cb 0.00 0.47 -0.08 0.00 -3.10 0.00 0.00 33.47 30.76 1zzu s TRP 587 CO 0.00 -0.80 1.07 0.71 -2.66 0.00 0.00 176.95 175.27 1zzu s TYR 588 N -3.62 3.11 -0.15 1.66 1.51 -1.26 -4.94 117.35 113.66 1zzu s TYR 588 Ca 0.01 1.60 -0.09 0.00 -1.01 0.00 0.00 57.07 57.58 1zzu s TYR 588 Cb -0.00 -3.16 -0.05 0.00 -0.11 0.00 0.00 41.96 38.64 1zzu s TYR 588 CO -0.12 -0.86 0.17 1.41 -1.11 0.00 0.00 175.55 175.05 1zzu s MET 589 N -2.75 3.83 0.28 -0.62 -2.45 -1.26 -1.71 119.30 114.62 1zzu s MET 589 Ca 0.62 -0.11 0.00 0.00 -1.25 0.00 0.00 55.69 54.95 1zzu s MET 589 Cb -0.22 -3.30 0.65 0.00 1.25 0.00 0.00 34.83 33.21 1zzu s MET 589 CO 0.27 0.54 1.64 0.78 1.05 0.00 0.00 175.02 179.30 1zzu h GLY 590 N 5.76 1.24 1.92 2.11 0.00 -1.04 -2.06 103.07 111.00 1zzu h GLY 590 Ca -0.48 0.01 0.01 0.00 0.00 0.00 0.00 47.33 46.87 1zzu h GLY 590 CO 0.67 -0.36 0.03 -0.91 0.00 0.00 0.00 176.54 175.97 1zzu h THR 591 N 0.17 0.58 -0.97 4.70 1.35 -1.95 -1.58 112.91 115.21 1zzu h THR 591 Ca 0.52 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 66.45 1zzu h THR 591 Cb 1.03 0.98 -0.06 0.00 -1.73 0.00 0.00 68.15 68.36 1zzu h THR 591 CO -0.67 0.00 0.63 -0.33 -0.25 0.00 0.00 175.52 174.90 1zzu h GLU 592 N 0.00 1.09 0.00 4.72 5.08 -1.78 -0.30 114.58 123.39 1zzu h GLU 592 Ca 0.01 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 1zzu h GLU 592 Cb 0.08 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 1zzu h GLU 592 CO -0.00 0.72 -0.72 0.82 -1.00 0.00 0.00 179.01 178.83 1zzu h ILE 593 N 1.12 0.48 -0.51 3.13 2.04 -1.55 -1.90 117.51 120.34 1zzu h ILE 593 Ca 0.42 -1.56 -0.07 0.00 1.00 0.00 0.00 64.86 64.65 1zzu h ILE 593 Cb 0.18 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 1zzu h ILE 593 CO -0.16 0.16 0.03 1.23 0.00 0.00 0.00 178.15 179.40 1zzu h GLY 594 N -1.00 0.90 0.00 5.37 0.00 -1.36 -0.88 103.07 106.10 1zzu h GLY 594 Ca -0.14 -0.59 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1zzu h GLY 594 CO -0.08 0.55 -0.47 -0.62 0.00 0.00 0.00 176.54 175.91 1zzu n VAL 595 N -4.22 1.15 0.08 4.60 0.31 -0.17 -4.06 118.33 116.02 1zzu n VAL 595 Ca 0.03 0.26 -0.08 0.00 -0.01 0.00 0.00 64.34 64.54 1zzu n VAL 595 Cb 0.29 -2.22 -0.05 0.00 -0.91 0.00 0.00 33.84 30.96 1zzu n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1zzu h ARG 596 N -0.81 -0.28 -0.54 5.55 2.47 -1.50 -1.61 114.38 117.65 1zzu h ARG 596 Ca 0.00 0.02 -0.05 0.00 -1.26 0.00 0.00 59.98 58.69 1zzu h ARG 596 Cb 0.47 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.83 1zzu h ARG 596 CO 0.00 -0.01 0.14 -0.91 0.56 0.00 0.00 179.97 179.75 1zzu h ASN 597 N -1.01 0.76 0.31 7.04 2.35 -1.23 -2.20 115.58 121.59 1zzu h ASN 597 Ca -0.03 -0.13 -0.32 0.00 -0.55 0.00 0.00 56.30 55.27 1zzu h ASN 597 Cb 0.40 -0.20 -0.05 0.00 0.05 0.00 0.00 38.32 38.52 1zzu h ASN 597 CO 0.05 0.74 -1.94 -1.22 -1.65 0.00 0.00 177.43 173.41 1zzu n TYR 598 N -4.28 0.76 0.49 1.19 0.53 -0.34 -2.00 117.16 113.50 1zzu n TYR 598 Ca 0.04 0.25 0.06 0.00 -1.02 0.00 0.00 57.90 57.23 1zzu n TYR 598 Cb 0.21 -1.13 -0.08 0.00 -1.03 0.00 0.00 39.34 37.32 1zzu n TYR 598 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1zzu n ASP 600 N -1.40 3.25 0.11 0.00 10.43 -0.83 -4.65 116.55 123.46 1zzu n ASP 600 Ca 0.02 1.15 0.05 0.00 2.57 0.00 0.00 54.79 58.58 1zzu n ASP 600 Cb 0.22 -1.58 0.47 0.00 1.84 0.00 0.00 41.12 42.07 1zzu n ASP 600 CO 0.00 0.00 0.00 0.78 -1.07 0.00 0.00 177.20 176.91 1zzu h ASN 601 N 2.45 0.26 -0.37 -2.24 -0.26 -1.93 -2.22 115.58 111.27 1zzu h ASN 601 Ca -0.50 -0.02 0.00 0.00 -0.56 0.00 0.00 56.30 55.22 1zzu h ASN 601 Cb 1.27 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 38.46 1zzu h ASN 601 CO 0.62 0.26 0.00 -1.54 -1.06 0.00 0.00 177.43 175.71 1zzu n SER 602 N -4.43 2.06 0.00 5.81 3.41 -1.26 -4.60 113.62 114.61 1zzu n SER 602 Ca 0.00 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 1zzu n SER 602 Cb 0.13 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1zzu n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1zzu n ARG 603 N 0.57 0.34 0.22 4.33 5.12 -0.85 -4.31 116.66 122.08 1zzu n ARG 603 Ca 0.12 0.00 0.15 0.00 -1.93 0.00 0.00 57.85 56.19 1zzu n ARG 603 Cb 0.33 0.00 0.55 0.00 -1.16 0.00 0.00 32.46 32.19 1zzu n ARG 603 CO 0.00 0.00 0.00 1.88 -1.93 0.00 0.00 177.63 177.58 1zzu h TYR 604 N 0.00 0.00 -6.63 -1.55 -1.99 -1.58 -3.42 116.97 101.80 1zzu h TYR 604 Ca 0.00 0.00 -0.50 0.00 2.00 0.00 0.00 58.73 60.23 1zzu h TYR 604 Cb 0.00 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.75 1zzu h TYR 604 CO 0.00 0.00 -0.96 -1.71 -0.00 0.00 0.00 178.16 175.49 1zzu n ASN 605 N -2.78 -4.80 -0.94 3.88 4.05 -0.62 -4.91 115.26 109.14 1zzu n ASN 605 Ca 0.02 -1.10 0.12 0.00 0.45 0.00 0.00 54.58 54.07 1zzu n ASN 605 Cb 0.32 -2.32 0.21 0.00 1.23 0.00 0.00 39.78 39.22 1zzu n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1zzu n ILE 606 N -4.18 0.18 -0.20 -1.44 -5.35 -0.01 -4.63 119.36 103.73 1zzu n ILE 606 Ca -0.14 -0.54 0.01 0.00 -0.27 0.00 0.00 62.75 61.81 1zzu n ILE 606 Cb 0.59 1.13 0.12 0.00 -1.74 0.00 0.00 39.64 39.74 1zzu n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1zzu h LEU 607 N 4.19 -0.03 -0.08 7.28 3.38 -1.88 -2.22 115.31 125.95 1zzu h LEU 607 Ca 0.00 0.12 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 1zzu h LEU 607 Cb 0.90 0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.82 1zzu h LEU 607 CO 0.00 -0.01 0.05 -0.33 0.09 0.00 0.00 178.44 178.24 1zzu h GLU 608 N 0.24 0.12 -0.85 1.13 5.08 -1.99 -0.59 114.58 117.71 1zzu h GLU 608 Ca 0.33 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.68 1zzu h GLU 608 Cb 0.50 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 1zzu h GLU 608 CO -0.43 0.14 0.55 1.49 -1.00 0.00 0.00 179.01 179.76 1zzu h GLU 609 N 0.06 1.13 -0.44 2.33 4.81 -1.84 -0.28 114.58 120.34 1zzu h GLU 609 Ca 0.03 -0.08 -0.13 0.00 -0.13 0.00 0.00 59.36 59.06 1zzu h GLU 609 Cb 0.05 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 1zzu h GLU 609 CO -0.01 0.76 -0.23 0.28 -0.73 0.00 0.00 179.01 179.08 1zzu h VAL 610 N 1.16 1.27 -0.31 0.32 2.07 -1.26 -2.61 116.25 116.89 1zzu h VAL 610 Ca 0.31 -1.39 -0.09 0.00 0.82 0.00 0.00 66.70 66.35 1zzu h VAL 610 Cb -0.11 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 1zzu h VAL 610 CO -0.07 0.47 -0.19 0.00 0.02 0.00 0.00 177.57 177.81 1zzu h ALA 611 N 0.84 1.10 0.20 1.67 0.00 -0.71 -1.84 119.26 120.52 1zzu h ALA 611 Ca 0.10 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1zzu h ALA 611 Cb 0.80 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1zzu h ALA 611 CO 0.07 0.55 -0.10 0.87 0.00 0.00 0.00 179.25 180.64 1zzu h LYS 612 N 0.50 -0.27 -0.65 0.00 1.57 -0.97 -1.25 116.57 115.51 1zzu h LYS 612 Ca 0.08 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.97 1zzu h LYS 612 Cb 0.61 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 1zzu h LYS 612 CO 0.04 -0.09 0.43 0.87 -0.57 0.00 0.00 179.45 180.13 1zzu h LYS 613 N -0.38 0.48 -0.00 3.15 1.79 -1.29 0.84 116.57 121.16 1zzu h LYS 613 Ca -0.03 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1zzu h LYS 613 Cb 0.29 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.83 1zzu h LYS 613 CO 0.05 0.32 -0.03 -1.33 -1.08 0.00 0.00 179.45 177.38 1zzu n MET 614 N -4.48 0.45 -3.71 3.15 2.81 -0.71 -4.92 117.12 109.71 1zzu n MET 614 Ca 0.10 -0.04 -0.30 0.00 -1.81 0.00 0.00 57.70 55.65 1zzu n MET 614 Cb 0.35 -1.50 0.04 0.00 -0.71 0.00 0.00 33.22 31.40 1zzu n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1zzu n ASP 615 N -1.24 -4.59 -4.92 7.83 -0.08 0.29 -4.98 116.55 108.86 1zzu n ASP 615 Ca 0.14 -1.01 -0.26 0.00 -1.51 0.00 0.00 54.79 52.16 1zzu n ASP 615 Cb 0.25 -3.38 -0.01 0.00 2.34 0.00 0.00 41.12 40.33 1zzu n ASP 615 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1zzu s LEU 616 N -6.53 3.82 -0.70 -2.67 1.43 -0.81 -5.00 118.68 108.21 1zzu s LEU 616 Ca 0.40 0.70 -0.27 0.00 -1.03 0.00 0.00 54.13 53.93 1zzu s LEU 616 Cb -0.14 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.49 1zzu s LEU 616 CO 0.86 -0.44 1.37 -0.62 0.23 0.00 0.00 176.35 177.76 1zzu s ASP 617 N -4.06 6.04 -0.22 2.29 3.68 -1.26 -4.83 116.67 118.31 1zzu s ASP 617 Ca 0.44 -0.25 0.12 0.00 2.13 0.00 0.00 52.55 54.99 1zzu s ASP 617 Cb -0.10 -2.55 0.73 0.00 -1.45 0.00 0.00 42.92 39.55 1zzu s ASP 617 CO 0.40 -1.89 1.63 0.23 0.13 0.00 0.00 175.17 175.67 1zzu n MET 618 N 9.25 4.37 0.18 4.34 2.81 -1.26 -4.37 117.12 132.44 1zzu n MET 618 Ca 0.07 -2.82 0.08 0.00 -1.81 0.00 0.00 57.70 53.22 1zzu n MET 618 Cb 0.49 -2.19 0.11 0.00 -0.71 0.00 0.00 33.22 30.93 1zzu n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1zzu h ARG 619 N 3.43 0.00 -2.76 0.03 3.08 -2.04 -3.45 114.38 112.66 1zzu h ARG 619 Ca 0.03 0.00 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 1zzu h ARG 619 Cb 1.88 0.00 -0.25 0.00 0.08 0.00 0.00 29.97 31.68 1zzu h ARG 619 CO 0.48 0.19 -0.28 -1.59 -1.07 0.00 0.00 179.97 177.69 1zzu s LYS 620 N -3.12 0.42 0.55 0.04 -2.85 -1.26 -5.04 119.74 108.48 1zzu s LYS 620 Ca 0.05 0.62 0.24 0.00 -1.00 0.00 0.00 55.97 55.88 1zzu s LYS 620 Cb 0.06 0.13 1.46 0.00 -2.06 0.00 0.00 37.83 37.42 1zzu s LYS 620 CO 0.70 -0.09 2.07 1.79 0.10 0.00 0.00 175.35 179.92 1zzu h THR 621 N 4.91 0.70 0.00 3.79 1.35 -1.91 -2.61 112.91 119.15 1zzu h THR 621 Ca -0.31 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1zzu h THR 621 Cb 1.18 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.43 1zzu h THR 621 CO 0.28 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.01 1zzu n SER 622 N -4.20 0.00 0.03 5.36 3.41 -1.26 -0.57 113.62 116.39 1zzu n SER 622 Ca 0.04 0.29 0.13 0.00 -0.26 0.00 0.00 58.87 59.07 1zzu n SER 622 Cb 0.39 -0.34 0.41 0.00 -0.26 0.00 0.00 64.21 64.41 1zzu n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1zzu n SER 623 N -1.34 0.38 -3.42 4.04 3.41 -0.98 -4.92 113.62 110.79 1zzu n SER 623 Ca 0.02 0.24 -0.23 0.00 -0.26 0.00 0.00 58.87 58.64 1zzu n SER 623 Cb 0.04 -0.24 0.07 0.00 -0.26 0.00 0.00 64.21 63.82 1zzu n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1zzu n LEU 624 N -1.72 -3.24 -0.15 1.04 4.77 0.27 -4.90 117.00 113.07 1zzu n LEU 624 Ca 0.06 -0.48 -0.04 0.00 -0.03 0.00 0.00 56.01 55.52 1zzu n LEU 624 Cb 0.37 -2.98 0.16 0.00 -2.33 0.00 0.00 43.42 38.64 1zzu n LEU 624 CO 0.31 0.56 0.94 4.11 -1.33 0.00 0.00 177.39 181.99 1zzu h TRP 625 N -2.41 0.92 -0.75 -1.77 5.08 -1.82 -0.75 115.95 114.44 1zzu h TRP 625 Ca -0.55 -0.10 -0.05 0.00 1.08 0.00 0.00 58.89 59.27 1zzu h TRP 625 Cb 1.36 -0.26 -0.03 0.00 -3.00 0.00 0.00 29.16 27.23 1zzu h TRP 625 CO 0.49 0.78 0.28 0.87 -1.28 0.00 0.00 178.44 179.59 1zzu h LYS 626 N 0.84 1.13 -0.54 0.12 1.57 -1.90 -1.08 116.57 116.71 1zzu h LYS 626 Ca 0.18 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 1zzu h LYS 626 Cb 0.35 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.47 1zzu h LYS 626 CO 0.00 0.93 -0.09 -0.44 -0.57 0.00 0.00 179.45 179.29 1zzu h ASP 627 N 1.08 1.01 -0.24 0.86 5.19 -1.84 -1.30 116.42 121.19 1zzu h ASP 627 Ca 0.25 -0.35 -0.03 0.00 -0.62 0.00 0.00 57.03 56.28 1zzu h ASP 627 Cb 0.24 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.47 1zzu h ASP 627 CO -0.02 1.12 0.02 1.56 -3.12 0.00 0.00 179.24 178.80 1zzu h GLN 628 N 0.88 0.40 -0.82 3.56 4.20 -0.84 -2.58 115.11 119.91 1zzu h GLN 628 Ca 0.14 -0.12 -0.03 0.00 0.06 0.00 0.00 58.65 58.71 1zzu h GLN 628 Cb 0.65 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.35 1zzu h GLN 628 CO 0.05 0.55 0.41 0.00 -0.67 0.00 0.00 178.83 179.17 1zzu h ALA 629 N 0.83 1.16 -0.52 3.87 0.00 -1.17 -2.81 119.26 120.63 1zzu h ALA 629 Ca 0.07 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1zzu h ALA 629 Cb 0.36 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1zzu h ALA 629 CO 0.01 0.64 0.29 1.25 0.00 0.00 0.00 179.25 181.44 1zzu h LEU 630 N 1.17 0.44 -0.46 0.00 5.85 -1.08 -1.47 115.31 119.76 1zzu h LEU 630 Ca 0.28 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1zzu h LEU 630 Cb 0.10 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 1zzu h LEU 630 CO -0.04 0.31 0.25 0.58 -0.34 0.00 0.00 178.44 179.20 1zzu h VAL 631 N 0.57 1.16 -0.70 1.05 2.07 -1.22 -2.26 116.25 116.92 1zzu h VAL 631 Ca 0.22 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1zzu h VAL 631 Cb 0.08 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.42 1zzu h VAL 631 CO -0.13 0.17 0.36 -0.33 0.02 0.00 0.00 177.57 177.66 1zzu h GLU 632 N 0.60 1.00 -0.86 1.57 4.39 -1.25 -0.78 114.58 119.26 1zzu h GLU 632 Ca 0.16 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.73 1zzu h GLU 632 Cb 0.05 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.47 1zzu h GLU 632 CO -0.03 0.77 0.53 0.82 -1.16 0.00 0.00 179.01 179.95 1zzu h ILE 633 N 0.97 1.23 0.00 3.13 2.04 -1.11 -0.93 117.51 122.85 1zzu h ILE 633 Ca 0.24 -0.49 -0.11 0.00 1.00 0.00 0.00 64.86 65.50 1zzu h ILE 633 Cb 0.09 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.16 1zzu h ILE 633 CO -0.03 0.24 -0.54 0.78 0.00 0.00 0.00 178.15 178.59 1zzu h ASN 634 N 1.18 0.00 -0.45 1.72 2.35 -1.01 -1.97 115.58 117.40 1zzu h ASN 634 Ca 0.31 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.92 1zzu h ASN 634 Cb -0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1zzu h ASN 634 CO -0.06 0.54 -0.25 0.40 -1.65 0.00 0.00 177.43 176.41 1zzu h ILE 635 N 0.00 1.27 -0.45 2.81 2.04 -0.55 -2.77 117.51 119.85 1zzu h ILE 635 Ca -0.01 -1.41 -0.03 0.00 1.00 0.00 0.00 64.86 64.42 1zzu h ILE 635 Cb 1.02 1.18 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 1zzu h ILE 635 CO 0.07 0.48 0.18 0.00 0.00 0.00 0.00 178.15 178.89 1zzu h ALA 636 N 0.88 0.59 0.03 1.87 0.00 -0.83 -0.74 119.26 121.06 1zzu h ALA 636 Ca 0.10 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1zzu h ALA 636 Cb 0.83 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1zzu h ALA 636 CO 0.07 0.20 -0.01 0.28 0.00 0.00 0.00 179.25 179.79 1zzu h VAL 637 N 0.59 0.99 -0.27 0.00 2.07 -1.31 0.03 116.25 118.35 1zzu h VAL 637 Ca 0.15 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 1zzu h VAL 637 Cb 0.19 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 1zzu h VAL 637 CO -0.01 0.01 0.13 -0.07 0.02 0.00 0.00 177.57 177.65 1zzu h LEU 638 N -0.06 0.35 -0.87 2.57 3.38 -1.42 -2.03 115.31 117.23 1zzu h LEU 638 Ca -0.00 -0.12 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1zzu h LEU 638 Cb 0.05 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.66 1zzu h LEU 638 CO 0.01 0.38 0.56 0.22 0.09 0.00 0.00 178.44 179.69 1zzu h TYR 639 N 0.30 1.04 -0.16 1.13 3.20 -1.02 -1.18 116.97 120.29 1zzu h TYR 639 Ca 0.09 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.95 1zzu h TYR 639 Cb 0.12 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 1zzu h TYR 639 CO -0.02 0.59 -0.04 0.77 -1.64 0.00 0.00 178.16 177.83 1zzu h SER 640 N 1.08 0.32 -0.08 -2.11 0.02 -0.78 -0.82 113.55 111.17 1zzu h SER 640 Ca 0.35 -0.36 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 1zzu h SER 640 Cb 0.02 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1zzu h SER 640 CO -0.12 0.61 0.04 -0.26 -1.14 0.00 0.00 176.83 175.95 1zzu h PHE 641 N 0.02 0.11 -0.99 3.45 -1.00 -1.24 -1.83 116.94 115.46 1zzu h PHE 641 Ca 0.04 -0.01 0.01 0.00 2.81 0.00 0.00 57.97 60.83 1zzu h PHE 641 Cb 0.47 -0.04 -0.05 0.00 3.61 0.00 0.00 35.95 39.94 1zzu h PHE 641 CO 0.05 0.19 0.66 1.96 -1.61 0.00 0.00 178.31 179.56 1zzu h GLN 642 N 0.00 1.31 -0.45 1.51 4.20 -1.24 -1.11 115.11 119.34 1zzu h GLN 642 Ca 0.03 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1zzu h GLN 642 Cb 0.12 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 27.58 1zzu h GLN 642 CO -0.00 0.86 0.09 0.77 -0.67 0.00 0.00 178.83 179.88 1zzu h SER 643 N 1.35 0.63 -0.32 1.46 0.02 -0.92 -2.07 113.55 113.70 1zzu h SER 643 Ca 0.37 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1zzu h SER 643 Cb -0.15 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.22 1zzu h SER 643 CO -0.08 0.64 0.00 0.47 -1.14 0.00 0.00 176.83 176.72 1zzu n ASP 644 N -4.29 2.19 -3.66 3.07 8.00 -0.71 -4.94 116.55 116.21 1zzu n ASP 644 Ca 0.03 -1.88 -0.25 0.00 0.71 0.00 0.00 54.79 53.40 1zzu n ASP 644 Cb 0.22 -0.21 0.07 0.00 -0.02 0.00 0.00 41.12 41.18 1zzu n ASP 644 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1zzu n LYS 645 N 0.68 -7.21 -4.28 -1.24 5.02 -0.56 -4.99 118.16 105.57 1zzu n LYS 645 Ca 0.16 0.77 -0.34 0.00 -2.02 0.00 0.00 58.31 56.88 1zzu n LYS 645 Cb 0.38 -5.77 -0.13 0.00 -0.02 0.00 0.00 35.03 29.49 1zzu n LYS 645 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1zzu s VAL 646 N -3.33 3.60 0.25 -0.18 1.01 -0.53 -4.31 120.40 116.91 1zzu s VAL 646 Ca 0.54 -0.44 -0.31 0.00 0.00 0.00 0.00 61.98 61.77 1zzu s VAL 646 Cb -0.25 -2.59 -0.14 0.00 0.00 0.00 0.00 36.38 33.40 1zzu s VAL 646 CO 0.76 0.47 1.28 0.41 0.00 0.00 0.00 175.10 178.01 1zzu n THR 647 N 4.02 1.25 -3.51 3.92 -1.04 -0.09 -4.27 114.28 114.57 1zzu n THR 647 Ca -0.18 -0.31 -0.12 0.00 -2.04 0.00 0.00 64.05 61.40 1zzu n THR 647 Cb 0.52 -1.29 -0.04 0.00 -1.82 0.00 0.00 70.33 67.70 1zzu n THR 647 CO 0.00 0.00 0.00 -0.51 -0.64 0.00 0.00 175.07 173.92 1zzu s ILE 648 N -0.39 0.00 -0.01 12.58 2.07 -1.26 -4.47 121.20 129.72 1zzu s ILE 648 Ca 0.66 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.92 1zzu s ILE 648 Cb -0.69 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 40.90 1zzu s ILE 648 CO 0.54 0.00 -0.08 0.54 -1.91 0.00 0.00 174.94 174.03 1zzu s VAL 649 N -2.26 0.64 0.66 4.00 0.11 -0.69 -4.99 120.40 117.86 1zzu s VAL 649 Ca -0.02 -0.31 -0.11 0.00 -2.93 0.00 0.00 61.98 58.61 1zzu s VAL 649 Cb -0.01 -0.56 -0.02 0.00 -1.53 0.00 0.00 36.38 34.26 1zzu s VAL 649 CO -0.02 0.20 1.05 1.51 -3.33 0.00 0.00 175.10 174.50 1zzu s ASP 650 N 0.04 5.88 0.54 3.54 -4.77 -1.26 -0.39 116.67 120.25 1zzu s ASP 650 Ca -0.00 1.38 0.31 0.00 -3.30 0.00 0.00 52.55 50.94 1zzu s ASP 650 Cb -0.06 -2.34 1.53 0.00 -1.09 0.00 0.00 42.92 40.96 1zzu s ASP 650 CO -0.00 -1.09 2.07 1.12 0.70 0.00 0.00 175.17 177.97 1zzu h HIS 651 N -0.48 0.00 -0.00 2.11 2.07 -1.98 -1.90 115.15 114.98 1zzu h HIS 651 Ca -0.44 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.07 1zzu h HIS 651 Cb 1.21 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.19 1zzu h HIS 651 CO 0.61 0.09 -0.01 0.45 -3.07 0.00 0.00 177.93 176.00 1zzu h HIS 652 N 0.00 0.01 -0.28 6.12 3.86 -1.95 -2.66 115.15 120.25 1zzu h HIS 652 Ca -0.00 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1zzu h HIS 652 Cb 0.37 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.82 1zzu h HIS 652 CO 0.00 0.67 0.17 1.03 0.86 0.00 0.00 177.93 180.66 1zzu h SER 653 N -0.65 0.33 -0.52 2.45 0.87 -1.92 -1.67 113.55 112.43 1zzu h SER 653 Ca -0.00 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1zzu h SER 653 Cb 0.67 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 62.53 1zzu h SER 653 CO 0.00 0.27 0.33 0.00 -0.53 0.00 0.00 176.83 176.90 1zzu h ALA 654 N 1.07 0.66 -0.13 6.23 0.00 -1.44 -0.76 119.26 124.89 1zzu h ALA 654 Ca 0.10 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1zzu h ALA 654 Cb -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1zzu h ALA 654 CO -0.02 0.12 -0.61 1.79 0.00 0.00 0.00 179.25 180.53 1zzu h THR 655 N 0.70 1.35 -0.41 0.00 1.35 -1.41 -0.63 112.91 113.86 1zzu h THR 655 Ca 0.19 -1.93 -0.03 0.00 -0.55 0.00 0.00 66.41 64.09 1zzu h THR 655 Cb -0.06 1.92 -0.02 0.00 -1.73 0.00 0.00 68.15 68.27 1zzu h THR 655 CO -0.04 0.59 0.14 -0.08 -0.25 0.00 0.00 175.52 175.88 1zzu h GLU 656 N 0.33 0.63 -0.68 4.72 4.81 -1.13 -1.59 114.58 121.68 1zzu h GLU 656 Ca -0.01 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.02 1zzu h GLU 656 Cb 1.16 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 30.41 1zzu h GLU 656 CO 0.11 0.62 0.16 0.77 -0.73 0.00 0.00 179.01 179.93 1zzu h SER 657 N 0.52 1.03 -0.79 1.04 0.02 -1.00 -2.73 113.55 111.64 1zzu h SER 657 Ca 0.13 -0.24 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1zzu h SER 657 Cb 0.24 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.47 1zzu h SER 657 CO -0.01 1.00 0.46 0.15 -1.14 0.00 0.00 176.83 177.29 1zzu h PHE 658 N 1.02 1.08 -0.74 3.45 3.57 -0.79 0.06 116.94 124.59 1zzu h PHE 658 Ca 0.21 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 1zzu h PHE 658 Cb 0.38 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1zzu h PHE 658 CO 0.03 0.73 0.28 0.82 -2.23 0.00 0.00 178.31 177.94 1zzu h ILE 659 N 1.11 1.26 -0.59 1.41 1.08 -1.05 0.27 117.51 121.00 1zzu h ILE 659 Ca 0.29 -0.83 -0.10 0.00 -0.39 0.00 0.00 64.86 63.83 1zzu h ILE 659 Cb -0.00 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 1zzu h ILE 659 CO -0.05 0.33 -0.00 0.11 -0.69 0.00 0.00 178.15 177.85 1zzu h LYS 660 N 1.08 1.04 -0.33 2.37 1.57 -1.13 -1.44 116.57 119.73 1zzu h LYS 660 Ca 0.25 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1zzu h LYS 660 Cb 0.24 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1zzu h LYS 660 CO -0.02 1.03 0.15 1.25 -0.57 0.00 0.00 179.45 181.29 1zzu h HIS 661 N 0.94 0.50 -0.24 -1.35 2.76 -0.55 -1.90 115.15 115.31 1zzu h HIS 661 Ca 0.17 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.32 1zzu h HIS 661 Cb 0.56 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 29.35 1zzu h HIS 661 CO 0.04 0.45 0.12 1.98 -1.30 0.00 0.00 177.93 179.23 1zzu h MET 662 N 0.40 0.25 -0.80 5.26 1.85 -0.24 -0.44 114.93 121.21 1zzu h MET 662 Ca 0.11 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.18 1zzu h MET 662 Cb 0.16 -0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.09 1zzu h MET 662 CO -0.01 0.17 0.47 0.93 -0.40 0.00 0.00 176.91 178.07 1zzu h GLU 663 N 0.26 1.08 -0.58 0.39 5.08 -1.15 -0.97 114.58 118.70 1zzu h GLU 663 Ca 0.10 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 1zzu h GLU 663 Cb 0.02 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1zzu h GLU 663 CO -0.06 0.77 -0.04 -0.97 -1.00 0.00 0.00 179.01 177.71 1zzu h ASN 664 N 1.10 1.03 -0.55 1.42 -1.24 -0.84 -2.47 115.58 114.03 1zzu h ASN 664 Ca 0.29 -0.31 -0.11 0.00 0.71 0.00 0.00 56.30 56.87 1zzu h ASN 664 Cb -0.03 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.72 1zzu h ASN 664 CO -0.05 1.10 -0.10 -0.33 -1.29 0.00 0.00 177.43 176.76 1zzu h GLU 665 N 0.95 1.05 -0.94 6.67 4.39 -0.48 0.05 114.58 126.27 1zzu h GLU 665 Ca 0.16 -0.38 -0.00 0.00 0.34 0.00 0.00 59.36 59.48 1zzu h GLU 665 Cb 0.60 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 1zzu h GLU 665 CO 0.04 1.08 0.57 1.88 -1.16 0.00 0.00 179.01 181.42 1zzu h TYR 666 N 0.93 1.23 -0.11 4.33 -1.99 -1.04 0.49 116.97 120.81 1zzu h TYR 666 Ca 0.14 0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.69 1zzu h TYR 666 Cb 0.67 -0.40 0.01 0.00 2.00 0.00 0.00 36.73 39.01 1zzu h TYR 666 CO 0.05 0.81 -0.65 0.00 -0.00 0.00 0.00 178.16 178.37 1zzu h ARG 667 N 1.29 0.63 0.00 4.88 3.08 -1.15 -1.36 114.38 121.75 1zzu h ARG 667 Ca 0.34 -0.53 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 1zzu h ARG 667 Cb -0.07 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1zzu h ARG 667 CO -0.06 1.15 -1.40 0.00 -1.07 0.00 0.00 179.97 178.59 1zzu n ARG 669 N -2.57 3.66 -0.59 0.00 0.63 0.16 -5.02 116.66 112.93 1zzu n ARG 669 Ca -0.03 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.89 1zzu n ARG 669 Cb 0.60 -0.76 0.00 0.00 0.45 0.00 0.00 32.46 32.75 1zzu n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1zzu n GLY 670 N 1.67 0.70 0.00 5.14 0.00 -0.51 -4.58 105.19 107.61 1zzu n GLY 670 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1zzu n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zzu n GLY 671 N -2.59 1.05 3.15 -0.02 0.00 -1.16 -0.08 105.19 105.54 1zzu n GLY 671 Ca 0.00 -1.14 0.01 0.00 0.00 0.00 0.00 46.02 44.89 1zzu n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zzu n PRO 673 N 4.83 2.58 -3.81 0.00 -0.04 -1.26 -4.68 135.00 132.62 1zzu n PRO 673 Ca 0.08 0.92 -0.13 0.00 -0.04 0.00 0.00 63.50 64.34 1zzu n PRO 673 Cb 0.55 -2.72 -0.12 0.00 -0.04 0.00 0.00 33.50 31.17 1zzu n PRO 673 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zzu s ALA 674 N 0.62 -0.46 -0.53 0.55 0.00 0.16 -4.24 121.76 117.86 1zzu s ALA 674 Ca 0.71 0.54 -0.14 0.00 0.00 0.00 0.00 51.96 53.07 1zzu s ALA 674 Cb -0.55 -0.31 0.13 0.00 0.00 0.00 0.00 23.12 22.39 1zzu s ALA 674 CO 0.40 -0.09 0.47 0.34 0.00 0.00 0.00 175.76 176.88 1zzu s ASP 675 N 0.12 6.09 0.23 0.00 -1.08 0.12 -3.57 116.67 118.58 1zzu s ASP 675 Ca -0.00 -1.84 -0.06 0.00 -0.52 0.00 0.00 52.55 50.13 1zzu s ASP 675 Cb -0.02 -2.16 0.40 0.00 -1.46 0.00 0.00 42.92 39.68 1zzu s ASP 675 CO 0.00 -0.82 1.74 -0.25 0.52 0.00 0.00 175.17 176.36 1zzu h TRP 676 N 8.76 0.49 -0.74 -5.34 7.01 -1.93 -0.06 115.95 124.15 1zzu h TRP 676 Ca -0.27 0.03 0.17 0.00 2.11 0.00 0.00 58.89 60.93 1zzu h TRP 676 Cb 1.09 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 28.00 1zzu h TRP 676 CO 0.71 0.09 0.50 0.28 -2.79 0.00 0.00 178.44 177.24 1zzu h VAL 677 N 0.45 0.74 0.00 2.65 2.07 -1.93 -1.84 116.25 118.40 1zzu h VAL 677 Ca 0.38 -0.10 -0.35 0.00 0.82 0.00 0.00 66.70 67.45 1zzu h VAL 677 Cb 0.54 0.43 -0.06 0.00 -1.52 0.00 0.00 31.29 30.68 1zzu h VAL 677 CO -0.37 0.05 -2.21 0.79 0.02 0.00 0.00 177.57 175.85 1zzu n TRP 678 N -4.44 0.30 -0.07 1.57 7.02 -0.59 -4.51 117.44 116.71 1zzu n TRP 678 Ca 0.14 0.10 -0.13 0.00 -1.02 0.00 0.00 57.50 56.60 1zzu n TRP 678 Cb 0.61 -1.05 -0.06 0.00 -2.42 0.00 0.00 31.31 28.39 1zzu n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1zzu h ILE 679 N 0.00 1.32 -2.64 -0.99 1.08 -0.68 -3.43 117.51 112.17 1zzu h ILE 679 Ca -0.48 -1.27 -0.53 0.00 -0.39 0.00 0.00 64.86 62.19 1zzu h ILE 679 Cb 2.15 1.68 0.03 0.00 -3.07 0.00 0.00 36.82 37.61 1zzu h ILE 679 CO 0.03 0.39 1.03 -0.69 -0.69 0.00 0.00 178.15 178.23 1zzu s VAL 680 N -4.46 2.84 0.69 1.67 1.01 -0.72 -4.93 120.40 116.50 1zzu s VAL 680 Ca -0.13 0.33 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 1zzu s VAL 680 Cb 0.07 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 33.24 1zzu s VAL 680 CO 0.78 0.00 1.05 -2.65 0.00 0.00 0.00 175.10 174.28 1zzu n PRO 681 N 5.55 0.68 0.00 2.72 -0.02 -1.26 -4.91 135.00 137.76 1zzu n PRO 681 Ca 0.16 0.29 0.04 0.00 -2.02 0.00 0.00 63.50 61.98 1zzu n PRO 681 Cb 0.40 -2.29 0.27 0.00 -0.02 0.00 0.00 33.50 31.85 1zzu n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1zzu n PRO 682 N -1.83 0.76 -3.85 0.52 -0.04 -1.26 -4.33 135.00 124.97 1zzu n PRO 682 Ca 0.14 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.50 1zzu n PRO 682 Cb 0.49 -1.18 -0.08 0.00 -0.04 0.00 0.00 33.50 32.68 1zzu n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zzu s MET 683 N -2.00 0.73 -1.23 0.54 0.23 -1.26 -4.93 119.30 111.38 1zzu s MET 683 Ca 0.13 -0.72 -0.11 0.00 -1.03 0.00 0.00 55.69 53.96 1zzu s MET 683 Cb 0.06 0.30 0.10 0.00 -1.53 0.00 0.00 34.83 33.76 1zzu s MET 683 CO 0.10 -0.22 0.45 0.43 -2.03 0.00 0.00 175.02 173.76 1zzu n SER 684 N 0.49 -2.95 -0.29 -1.18 7.64 -1.26 -4.86 113.62 111.21 1zzu n SER 684 Ca -0.18 -0.45 -0.11 0.00 1.01 0.00 0.00 58.87 59.14 1zzu n SER 684 Cb 0.60 -2.48 -0.09 0.00 -1.01 0.00 0.00 64.21 61.23 1zzu n SER 684 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1zzu h GLY 685 N -0.83 -0.82 2.00 0.23 0.00 -1.92 -2.18 103.07 99.54 1zzu h GLY 685 Ca -0.41 0.73 0.00 0.00 0.00 0.00 0.00 47.33 47.66 1zzu h GLY 685 CO 0.53 -0.05 0.00 -1.14 0.00 0.00 0.00 176.54 175.89 1zzu n SER 686 N -5.33 0.59 -1.20 0.19 3.41 -1.26 -1.83 113.62 108.20 1zzu n SER 686 Ca 0.00 0.68 0.07 0.00 -0.26 0.00 0.00 58.87 59.37 1zzu n SER 686 Cb 0.31 -0.80 0.26 0.00 -0.26 0.00 0.00 64.21 63.72 1zzu n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1zzu n ILE 687 N -2.20 1.23 -4.47 -1.33 -5.35 -0.82 -4.81 119.36 101.63 1zzu n ILE 687 Ca 0.01 -0.84 -0.31 0.00 -0.27 0.00 0.00 62.75 61.34 1zzu n ILE 687 Cb 0.16 0.09 -0.11 0.00 -1.74 0.00 0.00 39.64 38.04 1zzu n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1zzu s THR 688 N -1.67 3.19 0.49 7.28 -4.23 -0.76 -5.02 115.64 114.91 1zzu s THR 688 Ca 0.38 -1.11 0.18 0.00 -1.18 0.00 0.00 61.69 59.96 1zzu s THR 688 Cb 0.23 -2.41 0.25 0.00 1.34 0.00 0.00 72.50 71.91 1zzu s THR 688 CO 0.19 0.28 2.09 1.55 -0.54 0.00 0.00 174.62 178.19 1zzu h PRO 689 N 4.24 0.00 -0.00 3.99 0.13 -1.87 -3.12 132.00 135.37 1zzu h PRO 689 Ca -0.48 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.61 1zzu h PRO 689 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 1zzu h PRO 689 CO 0.50 0.09 -0.17 -0.39 -0.23 0.00 0.00 178.00 177.81 1zzu h VAL 690 N 0.00 1.13 -0.82 1.56 -1.51 -1.88 -2.33 116.25 112.40 1zzu h VAL 690 Ca -0.00 -0.60 0.08 0.00 -1.23 0.00 0.00 66.70 64.95 1zzu h VAL 690 Cb 0.18 1.32 -0.06 0.00 -2.13 0.00 0.00 31.29 30.61 1zzu h VAL 690 CO 0.01 0.17 0.53 0.15 -1.23 0.00 0.00 177.57 177.21 1zzu h PHE 691 N 0.00 0.86 -0.15 5.19 3.57 -1.73 -1.53 116.94 123.16 1zzu h PHE 691 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1zzu h PHE 691 Cb 0.31 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.77 1zzu h PHE 691 CO 0.00 0.42 0.00 0.72 -2.23 0.00 0.00 178.31 177.22 1zzu n HIS 692 N -4.50 0.19 -3.75 0.41 8.25 -0.88 -4.85 115.22 110.09 1zzu n HIS 692 Ca 0.13 -0.09 -0.37 0.00 -0.26 0.00 0.00 57.72 57.13 1zzu n HIS 692 Cb 0.28 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.27 1zzu n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1zzu s GLN 693 N -1.81 3.72 0.39 -0.41 2.00 -0.58 -1.45 119.66 121.52 1zzu s GLN 693 Ca 0.31 -0.45 -0.25 0.00 -2.00 0.00 0.00 55.36 52.97 1zzu s GLN 693 Cb 0.16 -3.37 -0.09 0.00 0.80 0.00 0.00 33.01 30.52 1zzu s GLN 693 CO 0.25 -0.16 1.14 -1.21 -0.50 0.00 0.00 175.29 174.81 1zzu s GLU 694 N 1.56 4.13 0.10 1.67 2.02 -0.81 -5.00 118.70 122.37 1zzu s GLU 694 Ca 0.06 1.77 0.02 0.00 0.02 0.00 0.00 54.97 56.85 1zzu s GLU 694 Cb -0.15 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 1zzu s GLU 694 CO 0.05 -0.23 -0.07 -1.64 0.02 0.00 0.00 175.26 173.38 1zzu s MET 695 N -2.25 0.83 -0.11 1.61 -1.94 -1.26 -4.63 119.30 111.54 1zzu s MET 695 Ca 0.56 -1.27 0.03 0.00 -1.71 0.00 0.00 55.69 53.29 1zzu s MET 695 Cb -0.29 -0.28 -0.00 0.00 2.01 0.00 0.00 34.83 36.26 1zzu s MET 695 CO 0.37 0.01 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.67 1zzu s LEU 696 N -2.85 2.30 -0.20 -0.03 1.43 -1.26 -4.97 118.68 113.11 1zzu s LEU 696 Ca 0.09 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1zzu s LEU 696 Cb 0.03 -1.48 -0.01 0.00 0.03 0.00 0.00 46.19 44.75 1zzu s LEU 696 CO -0.03 0.16 -0.05 0.21 0.23 0.00 0.00 176.35 176.86 1zzu s ASN 697 N 0.37 4.35 0.17 2.29 3.04 -1.23 -0.67 114.94 123.25 1zzu s ASN 697 Ca -0.16 -0.35 -0.15 0.00 0.04 0.00 0.00 52.86 52.25 1zzu s ASN 697 Cb -0.17 -1.73 0.02 0.00 -1.54 0.00 0.00 41.25 37.82 1zzu s ASN 697 CO 0.07 0.03 0.42 -0.72 -3.04 0.00 0.00 177.10 173.86 1zzu s TYR 698 N 1.20 0.00 -0.22 0.43 -0.85 -1.26 -4.97 117.35 111.68 1zzu s TYR 698 Ca 0.02 -0.35 -0.07 0.00 -0.52 0.00 0.00 57.07 56.16 1zzu s TYR 698 Cb -0.14 0.23 -0.03 0.00 0.38 0.00 0.00 41.96 42.39 1zzu s TYR 698 CO -0.01 -0.80 0.05 1.03 -1.52 0.00 0.00 175.55 174.30 1zzu s ARG 699 N -3.88 3.72 0.19 -3.49 0.52 -1.26 -4.82 118.95 109.93 1zzu s ARG 699 Ca 0.09 -0.46 0.09 0.00 -0.52 0.00 0.00 55.73 54.94 1zzu s ARG 699 Cb 0.01 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.19 1zzu s ARG 699 CO -0.05 -0.04 -0.10 -0.51 0.02 0.00 0.00 175.30 174.63 1zzu s LEU 700 N 1.20 2.96 0.14 2.53 1.43 -1.26 -3.71 118.68 121.98 1zzu s LEU 700 Ca 0.04 -0.61 0.10 0.00 -1.03 0.00 0.00 54.13 52.63 1zzu s LEU 700 Cb -0.14 -1.63 -0.04 0.00 0.03 0.00 0.00 46.19 44.41 1zzu s LEU 700 CO 0.03 0.09 -0.18 0.42 0.23 0.00 0.00 176.35 176.94 1zzu s THR 701 N -1.78 2.76 0.81 5.49 -4.23 -1.26 -4.30 115.64 113.13 1zzu s THR 701 Ca 0.25 -1.66 -0.14 0.00 -1.18 0.00 0.00 61.69 58.97 1zzu s THR 701 Cb -0.08 -2.30 0.05 0.00 1.34 0.00 0.00 72.50 71.51 1zzu s THR 701 CO 0.15 0.02 0.92 -2.65 -0.54 0.00 0.00 174.62 172.52 1zzu n PRO 702 N 0.56 0.13 -3.74 3.99 -0.02 -1.26 -5.01 135.00 129.64 1zzu n PRO 702 Ca -0.14 0.11 -0.10 0.00 -2.02 0.00 0.00 63.50 61.35 1zzu n PRO 702 Cb 0.54 -2.20 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 1zzu n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1zzu s SER 703 N -1.95 -0.25 -0.17 2.55 1.04 -0.77 -3.96 113.70 110.19 1zzu s SER 703 Ca 0.69 -0.49 -0.05 0.00 0.48 0.00 0.00 55.95 56.57 1zzu s SER 703 Cb -0.29 0.57 -0.03 0.00 0.10 0.00 0.00 66.02 66.37 1zzu s SER 703 CO 0.55 -1.05 0.01 -0.36 0.98 0.00 0.00 173.24 173.37 1zzu s PHE 704 N -3.88 3.12 0.18 5.02 0.40 -1.26 -0.95 117.98 120.61 1zzu s PHE 704 Ca 0.09 -0.15 0.07 0.00 -0.60 0.00 0.00 56.93 56.35 1zzu s PHE 704 Cb -0.01 -2.01 -0.04 0.00 0.51 0.00 0.00 43.02 41.47 1zzu s PHE 704 CO -0.03 0.04 -0.15 -1.21 0.70 0.00 0.00 175.22 174.57 1zzu s GLU 705 N 0.39 1.23 0.57 0.44 0.41 0.20 -4.94 118.70 117.00 1zzu s GLU 705 Ca -0.01 -1.48 -0.14 0.00 -0.41 0.00 0.00 54.97 52.93 1zzu s GLU 705 Cb -0.13 -1.07 -0.05 0.00 -1.78 0.00 0.00 34.13 31.10 1zzu s GLU 705 CO 0.02 0.19 1.01 0.71 -0.49 0.00 0.00 175.26 176.70 1zzu s TYR 706 N -2.68 3.44 0.02 1.61 4.12 -1.26 -0.75 117.35 121.84 1zzu s TYR 706 Ca 0.18 1.41 -0.07 0.00 0.02 0.00 0.00 57.07 58.60 1zzu s TYR 706 Cb -0.02 -2.80 -0.00 0.00 -1.52 0.00 0.00 41.96 37.62 1zzu s TYR 706 CO 0.05 -0.63 0.14 1.14 0.02 0.00 0.00 175.55 176.28 1zzu s GLN 707 N -4.53 0.57 0.60 -0.62 -2.07 -1.26 -4.74 119.66 107.61 1zzu s GLN 707 Ca 0.58 -0.55 -0.19 0.00 -1.82 0.00 0.00 55.36 53.38 1zzu s GLN 707 Cb -0.11 0.23 -0.03 0.00 -1.09 0.00 0.00 33.01 32.01 1zzu s GLN 707 CO 0.41 -0.14 1.25 -1.25 -1.32 0.00 0.00 175.29 174.24 1zzu s PRO 708 N -2.01 2.87 0.34 9.60 0.04 -1.26 -4.92 135.00 139.67 1zzu s PRO 708 Ca -0.10 1.95 -0.29 0.00 0.04 0.00 0.00 61.00 62.60 1zzu s PRO 708 Cb -0.04 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 1zzu s PRO 708 CO -0.01 -1.32 1.50 -0.25 0.04 0.00 0.00 177.00 176.95 1zzu n ASP 709 N -1.61 3.66 0.25 6.66 8.00 -1.26 -4.88 116.55 127.38 1zzu n ASP 709 Ca 0.14 1.20 0.09 0.00 0.71 0.00 0.00 54.79 56.93 1zzu n ASP 709 Cb 0.49 -1.59 0.67 0.00 -0.02 0.00 0.00 41.12 40.67 1zzu n ASP 709 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1zzu h PRO 710 N 3.51 0.00 0.00 -0.24 0.13 -1.91 -2.61 132.00 130.88 1zzu h PRO 710 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1zzu h PRO 710 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1zzu h PRO 710 CO 0.69 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.57 1zzu h TRP 711 N 0.00 0.00 0.00 1.56 0.09 -1.95 0.26 115.95 115.92 1zzu h TRP 711 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.99 1zzu h TRP 711 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.28 1zzu h TRP 711 CO 0.00 0.00 -0.30 0.09 0.09 0.00 0.00 178.44 178.32 1zzu n ASN 712 N -2.95 0.53 0.00 0.11 3.02 -0.98 -4.33 115.26 110.65 1zzu n ASN 712 Ca 0.00 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.79 1zzu n ASN 712 Cb 0.25 -0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.22 1zzu n ASN 712 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1zzu n THR 713 N -1.88 0.00 -1.81 3.41 -2.24 -0.70 -5.07 114.28 105.99 1zzu n THR 713 Ca 0.05 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.41 1zzu n THR 713 Cb 0.39 0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 69.01 1zzu n THR 713 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1zzu s HIS 714 N -1.53 2.78 -0.49 4.78 5.04 0.85 -4.97 115.29 121.74 1zzu s HIS 714 Ca 0.00 0.84 -0.18 0.00 -1.54 0.00 0.00 55.06 54.18 1zzu s HIS 714 Cb 0.00 -4.03 0.06 0.00 0.04 0.00 0.00 32.58 28.65 1zzu s HIS 714 CO 0.00 -3.41 0.56 0.08 -2.34 0.00 0.00 174.74 169.62 1zzu s VAL 715 N -0.09 4.97 0.35 0.89 1.01 -1.26 -5.01 120.40 121.27 1zzu s VAL 715 Ca 0.62 -0.59 -0.28 0.00 0.00 0.00 0.00 61.98 61.73 1zzu s VAL 715 Cb -0.47 -4.23 -0.10 0.00 0.00 0.00 0.00 36.38 31.58 1zzu s VAL 715 CO 0.48 -0.71 1.33 0.26 0.00 0.00 0.00 175.10 176.46 1zzu s TRP 716 N 2.37 2.93 -0.07 5.22 0.52 -1.26 -4.92 118.94 123.73 1zzu s TRP 716 Ca 0.13 1.38 0.18 0.00 0.02 0.00 0.00 56.10 57.81 1zzu s TRP 716 Cb -0.20 -3.73 -0.28 0.00 -1.15 0.00 0.00 33.47 28.11 1zzu s TRP 716 CO 0.11 -2.07 0.32 1.63 0.02 0.00 0.00 176.95 176.96 1zzu n LYS 717 N 0.62 0.72 -0.35 4.98 5.02 -1.26 -5.11 118.16 122.79 1zzu n LYS 717 Ca 0.01 -0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 1zzu n LYS 717 Cb 0.42 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.97 1zzu n LYS 717 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29