#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1zzr s PHE 300 N 0.00 3.32 0.28 -0.14 0.40 -1.26 -4.86 117.98 115.72 1zzr s PHE 300 Ca 0.00 -1.44 -0.11 0.00 -0.60 0.00 0.00 56.93 54.77 1zzr s PHE 300 Cb 0.00 -3.41 -0.08 0.00 0.51 0.00 0.00 43.02 40.04 1zzr s PHE 300 CO 0.00 -0.93 0.63 -0.51 0.70 0.00 0.00 175.22 175.11 1zzr s LEU 301 N 1.50 4.10 0.09 -0.37 1.43 -1.15 -4.88 118.68 119.40 1zzr s LEU 301 Ca 0.04 1.05 0.09 0.00 -1.03 0.00 0.00 54.13 54.28 1zzr s LEU 301 Cb -0.26 -3.84 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 1zzr s LEU 301 CO 0.02 -0.15 -0.25 -0.54 0.23 0.00 0.00 176.35 175.66 1zzr s LYS 302 N -2.99 1.49 -0.08 1.70 1.02 -1.26 0.62 119.74 120.23 1zzr s LYS 302 Ca 0.50 -1.18 0.02 0.00 0.02 0.00 0.00 55.97 55.33 1zzr s LYS 302 Cb -0.11 -1.79 0.01 0.00 -0.52 0.00 0.00 37.83 35.42 1zzr s LYS 302 CO 0.21 0.44 -0.14 0.14 -0.92 0.00 0.00 175.35 175.08 1zzr s VAL 303 N -0.95 1.31 0.07 3.17 -7.23 0.26 -4.95 120.40 112.07 1zzr s VAL 303 Ca 0.11 -0.57 0.03 0.00 -1.81 0.00 0.00 61.98 59.74 1zzr s VAL 303 Cb -0.10 -1.20 -0.04 0.00 0.56 0.00 0.00 36.38 35.61 1zzr s VAL 303 CO 0.04 0.40 0.08 -0.75 -0.31 0.00 0.00 175.10 174.55 1zzr s LYS 304 N 0.75 2.90 -0.27 4.82 2.20 -1.26 -0.50 119.74 128.38 1zzr s LYS 304 Ca -0.12 -0.66 -0.08 0.00 -0.36 0.00 0.00 55.97 54.74 1zzr s LYS 304 Cb -0.16 -2.74 -0.03 0.00 -1.51 0.00 0.00 37.83 33.40 1zzr s LYS 304 CO 0.03 0.58 0.10 1.21 -0.36 0.00 0.00 175.35 176.91 1zzr s ASN 305 N -2.28 5.33 0.00 1.43 3.84 -0.31 -1.58 114.94 121.37 1zzr s ASN 305 Ca 0.28 -0.27 0.24 0.00 0.21 0.00 0.00 52.86 53.33 1zzr s ASN 305 Cb -0.12 -1.96 1.30 0.00 -0.55 0.00 0.00 41.25 39.91 1zzr s ASN 305 CO 0.21 -0.08 1.81 0.79 -2.79 0.00 0.00 177.10 177.04 1zzr n TRP 306 N 4.95 0.00 -0.09 0.43 7.02 -0.08 -0.02 117.44 129.65 1zzr n TRP 306 Ca -0.15 0.00 -0.11 0.00 -1.02 0.00 0.00 57.50 56.21 1zzr n TRP 306 Cb 0.51 -0.19 -0.15 0.00 -2.42 0.00 0.00 31.31 29.06 1zzr n TRP 306 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 1zzr n GLU 307 N -1.19 0.68 0.00 -0.99 2.13 -1.26 -4.59 120.64 115.41 1zzr n GLU 307 Ca 0.14 0.06 0.02 0.00 0.66 0.00 0.00 57.16 58.04 1zzr n GLU 307 Cb 0.16 -1.56 -0.01 0.00 0.27 0.00 0.00 31.44 30.29 1zzr n GLU 307 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1zzr n THR 308 N -2.88 0.00 -0.20 6.31 -2.24 -1.19 -5.01 114.28 109.07 1zzr n THR 308 Ca -0.33 -0.42 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1zzr n THR 308 Cb 1.12 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 70.37 1zzr n THR 308 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1zzr n ASP 309 N -0.79 0.00 -4.69 3.42 8.00 0.98 -4.96 116.55 118.51 1zzr n ASP 309 Ca 0.01 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.07 1zzr n ASP 309 Cb 0.08 -0.73 -0.04 0.00 -0.02 0.00 0.00 41.12 40.41 1zzr n ASP 309 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1zzr n VAL 310 N -2.00 0.13 -4.69 2.53 0.31 -1.25 -4.64 118.33 108.72 1zzr n VAL 310 Ca 0.00 -0.02 -0.33 0.00 -0.01 0.00 0.00 64.34 63.98 1zzr n VAL 310 Cb 0.00 -1.80 -0.13 0.00 -0.91 0.00 0.00 33.84 31.00 1zzr n VAL 310 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1zzr s VAL 311 N 1.63 3.35 0.11 2.52 1.01 -1.26 -1.16 120.40 126.60 1zzr s VAL 311 Ca 0.80 -0.57 0.11 0.00 0.00 0.00 0.00 61.98 62.31 1zzr s VAL 311 Cb -0.60 -2.40 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1zzr s VAL 311 CO 0.38 0.54 -0.27 -0.76 0.00 0.00 0.00 175.10 174.99 1zzr s LEU 312 N -0.06 2.28 -0.16 3.92 1.43 0.35 -4.94 118.68 121.50 1zzr s LEU 312 Ca -0.01 -0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 52.32 1zzr s LEU 312 Cb -0.14 -1.23 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 1zzr s LEU 312 CO 0.03 0.20 0.02 -0.89 0.23 0.00 0.00 176.35 175.95 1zzr s THR 313 N -1.00 4.46 -0.25 5.49 2.01 -1.26 -0.58 115.64 124.51 1zzr s THR 313 Ca 0.13 -0.16 -0.06 0.00 0.31 0.00 0.00 61.69 61.92 1zzr s THR 313 Cb -0.10 -2.98 -0.01 0.00 0.01 0.00 0.00 72.50 69.42 1zzr s THR 313 CO 0.05 0.49 0.04 -0.62 -0.69 0.00 0.00 174.62 173.89 1zzr s ASP 314 N 0.16 4.86 -0.05 3.53 -1.08 0.20 -4.65 116.67 119.64 1zzr s ASP 314 Ca 0.02 -0.43 0.07 0.00 -0.52 0.00 0.00 52.55 51.69 1zzr s ASP 314 Cb -0.13 -1.85 -0.10 0.00 -1.46 0.00 0.00 42.92 39.38 1zzr s ASP 314 CO 0.01 -0.08 0.08 0.35 0.52 0.00 0.00 175.17 176.05 1zzr n THR 315 N 4.86 0.33 -0.21 1.71 -2.24 -0.17 -2.93 114.28 115.64 1zzr n THR 315 Ca -0.16 -0.27 0.20 0.00 -2.27 0.00 0.00 64.05 61.55 1zzr n THR 315 Cb 0.50 -0.42 0.55 0.00 -2.10 0.00 0.00 70.33 68.86 1zzr n THR 315 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1zzr h LEU 316 N 0.00 0.33 -2.36 3.22 5.85 -1.66 0.14 115.31 120.83 1zzr h LEU 316 Ca -0.13 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.65 1zzr h LEU 316 Cb 1.08 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 1zzr h LEU 316 CO 0.01 0.14 0.17 1.12 -0.34 0.00 0.00 178.44 179.53 1zzr h HIS 317 N 0.33 0.00 0.00 1.25 2.07 -1.84 0.36 115.15 117.33 1zzr h HIS 317 Ca 0.44 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.96 1zzr h HIS 317 Cb 1.19 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.17 1zzr h HIS 317 CO -0.00 0.00 0.00 -0.07 -3.07 0.00 0.00 177.93 174.79 1zzr h LEU 318 N 0.00 0.00 -1.92 6.12 3.38 -1.05 0.78 115.31 122.62 1zzr h LEU 318 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1zzr h LEU 318 Cb 0.38 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1zzr h LEU 318 CO -0.00 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.82 1zzr n LYS 319 N -2.62 2.21 -1.96 1.13 5.02 0.12 -4.95 118.16 117.11 1zzr n LYS 319 Ca -0.01 -1.88 -0.40 0.00 -2.02 0.00 0.00 58.31 54.01 1zzr n LYS 319 Cb 0.14 -1.41 -0.00 0.00 -0.02 0.00 0.00 35.03 33.74 1zzr n LYS 319 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1zzr s SER 320 N -1.03 6.33 -0.01 4.39 0.15 0.27 -4.90 113.70 118.90 1zzr s SER 320 Ca 0.35 2.80 -0.01 0.00 0.70 0.00 0.00 55.95 59.79 1zzr s SER 320 Cb 0.18 -2.65 -0.01 0.00 -1.71 0.00 0.00 66.02 61.83 1zzr s SER 320 CO 0.24 -0.85 -0.03 1.07 1.20 0.00 0.00 173.24 174.87 1zzr n THR 321 N 0.28 0.33 -1.64 6.45 5.66 -1.11 -5.06 114.28 119.19 1zzr n THR 321 Ca 0.03 0.03 -0.29 0.00 -3.05 0.00 0.00 64.05 60.77 1zzr n THR 321 Cb 0.42 -1.56 0.14 0.00 -1.55 0.00 0.00 70.33 67.78 1zzr n THR 321 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1zzr s LEU 322 N -6.30 2.12 0.13 1.09 1.43 -1.23 -5.06 118.68 110.86 1zzr s LEU 322 Ca -0.03 0.78 -0.08 0.00 -1.03 0.00 0.00 54.13 53.77 1zzr s LEU 322 Cb 0.01 -3.05 -0.06 0.00 0.03 0.00 0.00 46.19 43.12 1zzr s LEU 322 CO 0.04 -2.57 0.41 -1.61 0.23 0.00 0.00 176.35 172.85 1zzr s GLU 323 N -5.45 3.71 0.04 1.70 2.02 -1.26 -4.57 118.70 114.89 1zzr s GLU 323 Ca 0.66 0.08 0.09 0.00 0.02 0.00 0.00 54.97 55.82 1zzr s GLU 323 Cb -0.12 -2.88 -0.22 0.00 0.10 0.00 0.00 34.13 31.01 1zzr s GLU 323 CO 0.53 0.48 0.99 1.79 0.02 0.00 0.00 175.26 179.07 1zzr h THR 324 N 2.39 1.30 0.00 3.63 1.35 -1.97 -3.46 112.91 116.15 1zzr h THR 324 Ca -0.47 -3.08 0.00 0.00 -0.55 0.00 0.00 66.41 62.30 1zzr h THR 324 Cb 1.18 2.65 0.00 0.00 -1.73 0.00 0.00 68.15 70.25 1zzr h THR 324 CO 0.69 0.75 0.00 0.61 -0.25 0.00 0.00 175.52 177.32 1zzr n GLY 325 N 1.45 2.64 3.97 5.82 0.00 -1.26 -4.90 105.19 112.91 1zzr n GLY 325 Ca -0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 1zzr n GLY 325 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zzr s THR 327 N -2.88 0.00 -0.45 0.00 -4.23 -0.51 -5.00 115.64 102.57 1zzr s THR 327 Ca 0.59 -1.61 0.21 0.00 -1.18 0.00 0.00 61.69 59.69 1zzr s THR 327 Cb -0.10 -2.41 0.21 0.00 1.34 0.00 0.00 72.50 71.54 1zzr s THR 327 CO 0.40 0.00 1.64 -0.62 -0.54 0.00 0.00 174.62 175.50 1zzr n GLU 328 N -0.41 0.15 -0.05 3.99 4.71 -1.26 -2.68 120.64 125.09 1zzr n GLU 328 Ca 0.00 0.49 0.01 0.00 -0.01 0.00 0.00 57.16 57.65 1zzr n GLU 328 Cb 0.63 -1.86 -0.15 0.00 -1.01 0.00 0.00 31.44 29.05 1zzr n GLU 328 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1zzr n HIS 329 N -2.15 0.00 -3.74 -0.32 8.25 -1.26 -4.99 115.22 111.01 1zzr n HIS 329 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.35 1zzr n HIS 329 Cb 0.15 -0.67 -0.12 0.00 1.12 0.00 0.00 29.99 30.47 1zzr n HIS 329 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1zzr s ILE 330 N -2.92 -0.03 -0.21 1.59 2.07 -1.09 -5.14 121.20 115.47 1zzr s ILE 330 Ca -0.08 0.09 -0.11 0.00 -1.41 0.00 0.00 60.65 59.14 1zzr s ILE 330 Cb 0.09 -0.43 -0.05 0.00 0.13 0.00 0.00 42.46 42.20 1zzr s ILE 330 CO 0.78 0.04 0.18 0.00 -1.91 0.00 0.00 174.94 174.03 1zzr n MET 332 N 3.90 1.93 0.22 0.00 0.00 -1.26 -4.78 117.12 117.13 1zzr n MET 332 Ca -0.15 -3.14 0.17 0.00 0.00 0.00 0.00 57.70 54.58 1zzr n MET 332 Cb 0.52 -1.80 0.72 0.00 0.00 0.00 0.00 33.22 32.66 1zzr n MET 332 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 175.97 176.75 1zzr h GLY 333 N 1.06 0.00 -1.93 3.03 0.00 -1.93 -0.71 103.07 102.58 1zzr h GLY 333 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1zzr h GLY 333 CO 0.34 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.74 1zzr n SER 334 N -3.18 3.31 -4.70 0.19 3.41 -1.26 -4.84 113.62 106.55 1zzr n SER 334 Ca 0.03 -1.96 -0.42 0.00 -0.26 0.00 0.00 58.87 56.26 1zzr n SER 334 Cb 0.56 -0.31 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 1zzr n SER 334 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1zzr s ILE 335 N -1.08 4.80 0.16 -1.33 -1.09 -0.28 -4.96 121.20 117.42 1zzr s ILE 335 Ca 0.34 2.02 -0.12 0.00 -2.23 0.00 0.00 60.65 60.66 1zzr s ILE 335 Cb 0.19 -4.29 0.05 0.00 -1.58 0.00 0.00 42.46 36.82 1zzr s ILE 335 CO 0.25 0.12 1.67 0.58 -1.23 0.00 0.00 174.94 176.32 1zzr h VAL 336 N 4.85 1.25 -3.01 2.92 2.07 -1.92 -3.38 116.25 119.04 1zzr h VAL 336 Ca -0.39 -0.91 -0.61 0.00 0.82 0.00 0.00 66.70 65.61 1zzr h VAL 336 Cb 1.20 0.77 -0.40 0.00 -1.52 0.00 0.00 31.29 31.34 1zzr h VAL 336 CO 0.78 0.33 -0.72 -0.76 0.02 0.00 0.00 177.57 177.22 1zzr s LEU 337 N -9.56 2.98 -0.08 2.57 1.43 -1.26 -5.15 118.68 109.60 1zzr s LEU 337 Ca -0.13 -2.79 -0.18 0.00 -1.03 0.00 0.00 54.13 50.01 1zzr s LEU 337 Cb 0.12 -1.12 -0.14 0.00 0.03 0.00 0.00 46.19 45.08 1zzr s LEU 337 CO 0.81 -0.24 0.63 -0.65 0.23 0.00 0.00 176.35 177.13 1zzr h PRO 338 N 6.54 -0.12 0.00 1.29 0.11 -1.91 -3.54 132.00 134.37 1zzr h PRO 338 Ca 0.01 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1zzr h PRO 338 Cb 0.91 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1zzr h PRO 338 CO 0.52 0.34 0.00 2.41 -0.21 0.00 0.00 178.00 181.06 1zzr n THR 350 N -4.82 0.00 -0.09 -1.15 -1.04 -1.26 -5.04 114.28 100.88 1zzr n THR 350 Ca -0.06 0.00 0.25 0.00 -2.04 0.00 0.00 64.05 62.19 1zzr n THR 350 Cb 0.25 0.00 0.71 0.00 -1.82 0.00 0.00 70.33 69.47 1zzr n THR 350 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1zzr h LYS 351 N 0.00 0.00 -0.13 -2.82 1.57 -1.94 0.23 116.57 113.49 1zzr h LYS 351 Ca 0.00 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.57 1zzr h LYS 351 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1zzr h LYS 351 CO 0.00 0.00 -0.75 -0.44 -0.57 0.00 0.00 179.45 177.69 1zzr h ASP 352 N 0.00 0.76 1.10 0.86 3.45 -1.99 -2.83 116.42 117.77 1zzr h ASP 352 Ca 0.34 -0.49 -0.15 0.00 0.43 0.00 0.00 57.03 57.16 1zzr h ASP 352 Cb 1.39 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 39.91 1zzr h ASP 352 CO -0.00 1.27 -0.73 1.56 -1.57 0.00 0.00 179.24 179.77 1zzr h GLN 353 N 0.44 0.00 -0.00 3.56 4.20 -1.16 -3.37 115.11 118.78 1zzr h GLN 353 Ca -0.04 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1zzr h GLN 353 Cb 1.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.14 1zzr h GLN 353 CO 0.15 0.73 -0.02 1.25 -0.67 0.00 0.00 178.83 180.26 1zzr h LEU 354 N 0.00 0.02 -1.08 1.46 5.85 -0.76 -3.30 115.31 117.49 1zzr h LEU 354 Ca -0.01 -0.77 0.06 0.00 0.84 0.00 0.00 57.88 58.01 1zzr h LEU 354 Cb 1.47 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.43 1zzr h LEU 354 CO 0.09 0.79 0.62 0.15 -0.34 0.00 0.00 178.44 179.75 1zzr h PHE 355 N -0.74 1.12 -0.57 1.25 3.57 -1.66 -0.19 116.94 119.72 1zzr h PHE 355 Ca -0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 1zzr h PHE 355 Cb 0.79 -0.37 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1zzr h PHE 355 CO 0.20 0.59 0.20 -1.00 -2.23 0.00 0.00 178.31 176.06 1zzr h PRO 356 N 1.11 0.86 -0.04 6.41 0.13 -1.73 0.15 132.00 138.88 1zzr h PRO 356 Ca 0.41 -0.17 0.02 0.00 -0.87 0.00 0.00 66.00 65.38 1zzr h PRO 356 Cb 0.17 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 31.15 1zzr h PRO 356 CO -0.16 0.77 -0.08 -0.07 -0.23 0.00 0.00 178.00 178.24 1zzr h LEU 357 N 0.79 -0.23 -0.81 1.56 3.38 -1.43 0.21 115.31 118.77 1zzr h LEU 357 Ca 0.19 0.04 0.03 0.00 0.09 0.00 0.00 57.88 58.22 1zzr h LEU 357 Cb 0.25 0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1zzr h LEU 357 CO -0.01 -0.11 0.53 0.00 0.09 0.00 0.00 178.44 178.94 1zzr h ALA 358 N 0.92 1.06 -0.12 1.53 0.00 -0.83 -1.47 119.26 120.35 1zzr h ALA 358 Ca 0.05 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1zzr h ALA 358 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1zzr h ALA 358 CO -0.11 0.37 0.07 -0.22 0.00 0.00 0.00 179.25 179.36 1zzr h LYS 359 N 1.04 0.16 -0.18 0.00 3.64 -0.13 -0.55 116.57 120.56 1zzr h LYS 359 Ca 0.32 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.74 1zzr h LYS 359 Cb -0.03 -0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.70 1zzr h LYS 359 CO -0.10 0.15 -0.21 1.49 -2.27 0.00 0.00 179.45 178.51 1zzr h GLU 360 N 0.13 -0.24 0.17 1.90 4.81 -0.52 -0.82 114.58 120.00 1zzr h GLU 360 Ca 0.04 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 1zzr h GLU 360 Cb 0.03 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.42 1zzr h GLU 360 CO -0.01 -0.16 -0.32 0.35 -0.73 0.00 0.00 179.01 178.14 1zzr h PHE 361 N -0.24 -0.87 -0.85 0.92 3.57 -0.94 -1.51 116.94 117.01 1zzr h PHE 361 Ca 0.11 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1zzr h PHE 361 Cb 0.42 0.36 -0.06 0.00 2.79 0.00 0.00 35.95 39.46 1zzr h PHE 361 CO -0.34 -0.43 0.53 -0.07 -2.23 0.00 0.00 178.31 175.77 1zzr h LEU 362 N -0.57 0.84 -0.45 0.59 3.38 -0.86 0.32 115.31 118.55 1zzr h LEU 362 Ca 0.02 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1zzr h LEU 362 Cb 0.58 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1zzr h LEU 362 CO -0.16 0.54 0.26 0.44 0.09 0.00 0.00 178.44 179.61 1zzr h ASP 363 N 0.97 0.41 -0.03 -0.43 3.32 -0.85 0.62 116.42 120.45 1zzr h ASP 363 Ca 0.37 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 57.29 1zzr h ASP 363 Cb 0.15 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1zzr h ASP 363 CO -0.17 0.29 -0.42 0.06 -1.72 0.00 0.00 179.24 177.29 1zzr h GLN 364 N 0.52 0.55 -0.06 3.56 3.07 -0.33 -0.60 115.11 121.82 1zzr h GLN 364 Ca 0.18 -0.28 -0.00 0.00 0.09 0.00 0.00 58.65 58.63 1zzr h GLN 364 Cb 0.03 0.01 -0.00 0.00 0.08 0.00 0.00 27.48 27.59 1zzr h GLN 364 CO -0.09 0.87 0.02 -0.92 0.09 0.00 0.00 178.83 178.80 1zzr h TYR 365 N 0.45 0.09 -0.07 0.06 3.20 0.66 -1.12 116.97 120.24 1zzr h TYR 365 Ca 0.04 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.80 1zzr h TYR 365 Cb 0.92 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 1zzr h TYR 365 CO 0.04 0.25 -0.38 1.88 -1.64 0.00 0.00 178.16 178.31 1zzr h TYR 366 N -0.10 0.17 -0.51 -3.82 -1.99 0.26 -2.20 116.97 108.78 1zzr h TYR 366 Ca 0.02 -0.04 -0.10 0.00 2.00 0.00 0.00 58.73 60.61 1zzr h TYR 366 Cb 0.20 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 38.88 1zzr h TYR 366 CO -0.01 0.51 -0.06 1.03 -0.00 0.00 0.00 178.16 179.63 1zzr h SER 367 N 0.12 0.90 0.17 3.88 0.87 -0.97 0.26 113.55 118.78 1zzr h SER 367 Ca 0.01 -0.26 -0.04 0.00 -1.23 0.00 0.00 61.79 60.27 1zzr h SER 367 Cb 0.74 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 1zzr h SER 367 CO 0.06 0.99 -0.18 0.77 -0.53 0.00 0.00 176.83 177.94 1zzr h SER 368 N 0.83 0.01 -0.67 6.23 4.64 -0.59 -2.07 113.55 121.92 1zzr h SER 368 Ca 0.14 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.29 1zzr h SER 368 Cb 0.58 -0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.56 1zzr h SER 368 CO 0.04 0.19 0.22 2.30 -0.87 0.00 0.00 176.83 178.70 1zzr n ILE 369 N -4.33 2.72 -2.23 0.95 -5.35 -0.98 -4.92 119.36 105.24 1zzr n ILE 369 Ca -0.02 -1.46 -0.15 0.00 -0.27 0.00 0.00 62.75 60.84 1zzr n ILE 369 Cb 0.24 -0.38 -0.02 0.00 -1.74 0.00 0.00 39.64 37.74 1zzr n ILE 369 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 1zzr n LYS 370 N -0.01 -1.90 -2.41 6.28 5.02 -0.78 -4.85 118.16 119.51 1zzr n LYS 370 Ca 0.36 0.77 -0.18 0.00 -2.02 0.00 0.00 58.31 57.25 1zzr n LYS 370 Cb 1.29 -5.32 0.02 0.00 -0.02 0.00 0.00 35.03 31.00 1zzr n LYS 370 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1zzr n ARG 371 N -2.70 2.80 -2.46 1.97 1.74 0.04 -5.03 116.66 113.03 1zzr n ARG 371 Ca -0.17 -3.99 -0.41 0.00 -0.77 0.00 0.00 57.85 52.51 1zzr n ARG 371 Cb 0.61 -1.98 -0.04 0.00 -1.02 0.00 0.00 32.46 30.04 1zzr n ARG 371 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 1zzr s PHE 372 N -3.55 3.53 -1.30 -1.55 5.36 -1.13 -3.26 117.98 116.08 1zzr s PHE 372 Ca 0.42 1.56 -0.04 0.00 -0.96 0.00 0.00 56.93 57.91 1zzr s PHE 372 Cb 0.40 -3.33 0.01 0.00 -0.34 0.00 0.00 43.02 39.76 1zzr s PHE 372 CO -0.04 -0.79 1.01 0.41 -1.46 0.00 0.00 175.22 174.35 1zzr n GLY 373 N 1.93 -0.42 3.92 13.12 0.00 -1.26 -5.00 105.19 117.47 1zzr n GLY 373 Ca 0.02 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.95 1zzr n GLY 373 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zzr s SER 374 N -3.94 4.68 0.08 1.61 1.04 -1.20 -4.96 113.70 111.01 1zzr s SER 374 Ca 0.25 -1.20 -0.16 0.00 0.48 0.00 0.00 55.95 55.32 1zzr s SER 374 Cb -0.11 0.38 -0.12 0.00 0.10 0.00 0.00 66.02 66.27 1zzr s SER 374 CO 0.75 -1.12 1.35 0.50 0.98 0.00 0.00 173.24 175.71 1zzr h LYS 375 N 0.70 0.63 -0.39 4.02 3.64 -1.95 -0.17 116.57 123.06 1zzr h LYS 375 Ca -0.36 -0.39 0.07 0.00 -1.27 0.00 0.00 60.65 58.70 1zzr h LYS 375 Cb 1.30 0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 33.10 1zzr h LYS 375 CO 0.56 1.00 -0.01 0.00 -2.27 0.00 0.00 179.45 178.73 1zzr h ALA 376 N 0.62 0.34 0.33 5.00 0.00 -1.95 0.97 119.26 124.57 1zzr h ALA 376 Ca 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1zzr h ALA 376 Cb 0.96 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1zzr h ALA 376 CO 0.08 -0.40 -0.21 1.25 0.00 0.00 0.00 179.25 179.98 1zzr h HIS 377 N 0.09 -0.54 -0.65 0.00 -0.00 -1.75 -0.31 115.15 111.99 1zzr h HIS 377 Ca 0.19 -0.01 0.05 0.00 -0.00 0.00 0.00 60.37 60.60 1zzr h HIS 377 Cb 0.27 0.19 -0.05 0.00 -0.00 0.00 0.00 27.41 27.82 1zzr h HIS 377 CO -0.27 -0.32 0.38 0.52 -0.00 0.00 0.00 177.93 178.23 1zzr h MET 378 N -0.52 0.69 0.94 5.26 2.07 -0.30 0.16 114.93 123.24 1zzr h MET 378 Ca -0.03 -0.04 -0.05 0.00 -2.07 0.00 0.00 59.70 57.51 1zzr h MET 378 Cb 0.43 -0.16 0.01 0.00 -1.87 0.00 0.00 31.60 30.01 1zzr h MET 378 CO 0.03 0.46 -0.45 -0.44 1.07 0.00 0.00 176.91 177.58 1zzr h ASP 379 N 0.72 -1.07 -0.94 1.22 3.45 0.12 -0.71 116.42 119.20 1zzr h ASP 379 Ca 0.28 0.04 0.13 0.00 0.43 0.00 0.00 57.03 57.90 1zzr h ASP 379 Cb 0.11 0.28 -0.08 0.00 -0.56 0.00 0.00 39.33 39.09 1zzr h ASP 379 CO -0.15 -0.76 0.60 -0.09 -1.57 0.00 0.00 179.24 177.28 1zzr h ARG 380 N -1.28 0.83 -0.54 3.56 9.65 -0.95 0.21 114.38 125.86 1zzr h ARG 380 Ca -0.13 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.71 1zzr h ARG 380 Cb 0.97 -0.19 -0.03 0.00 -1.39 0.00 0.00 29.97 29.33 1zzr h ARG 380 CO 0.21 0.55 0.35 1.25 2.80 0.00 0.00 179.97 185.13 1zzr h LEU 381 N 0.85 0.60 -0.35 3.80 5.85 -0.72 -0.84 115.31 124.50 1zzr h LEU 381 Ca 0.47 -0.01 -0.16 0.00 0.84 0.00 0.00 57.88 59.01 1zzr h LEU 381 Cb 0.58 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1zzr h LEU 381 CO -0.23 0.43 -0.41 -0.08 -0.34 0.00 0.00 178.44 177.81 1zzr h GLU 382 N 0.71 0.89 -0.60 1.25 4.57 0.51 -2.23 114.58 119.68 1zzr h GLU 382 Ca 0.20 -0.49 0.03 0.00 -1.18 0.00 0.00 59.36 57.92 1zzr h GLU 382 Cb -0.06 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.52 1zzr h GLU 382 CO -0.06 1.14 0.36 1.49 -1.18 0.00 0.00 179.01 180.76 1zzr h GLU 383 N 0.69 0.69 -0.41 1.92 4.81 -0.27 0.38 114.58 122.38 1zzr h GLU 383 Ca 0.05 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.11 1zzr h GLU 383 Cb 1.00 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1zzr h GLU 383 CO 0.10 0.46 -0.24 0.28 -0.73 0.00 0.00 179.01 178.88 1zzr h VAL 384 N 0.71 1.28 -0.02 0.32 2.07 -1.17 -0.62 116.25 118.82 1zzr h VAL 384 Ca 0.24 -1.39 0.03 0.00 0.82 0.00 0.00 66.70 66.40 1zzr h VAL 384 Cb 0.03 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 1zzr h VAL 384 CO -0.10 0.47 -0.27 -1.13 0.02 0.00 0.00 177.57 176.56 1zzr h ASN 385 N 0.71 -0.80 0.11 0.57 -0.73 -0.81 0.18 115.58 114.81 1zzr h ASN 385 Ca 0.09 0.11 0.01 0.00 1.87 0.00 0.00 56.30 58.38 1zzr h ASN 385 Cb 0.81 0.33 -0.03 0.00 0.27 0.00 0.00 38.32 39.70 1zzr h ASN 385 CO 0.07 -0.33 -0.21 0.11 -0.37 0.00 0.00 177.43 176.70 1zzr h LYS 386 N -0.40 -0.38 -0.90 6.67 1.57 -0.80 -1.23 116.57 121.11 1zzr h LYS 386 Ca 0.07 0.03 0.16 0.00 -1.87 0.00 0.00 60.65 59.03 1zzr h LYS 386 Cb 0.49 0.09 -0.10 0.00 0.08 0.00 0.00 32.23 32.79 1zzr h LYS 386 CO -0.25 -0.25 0.49 1.49 -0.57 0.00 0.00 179.45 180.36 1zzr h GLU 387 N -0.39 0.66 0.14 3.15 4.81 -0.63 0.13 114.58 122.46 1zzr h GLU 387 Ca 0.03 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1zzr h GLU 387 Cb 0.41 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.64 1zzr h GLU 387 CO -0.11 0.44 -0.07 0.82 -0.73 0.00 0.00 179.01 179.36 1zzr h ILE 388 N 0.68 0.99 -0.27 2.32 2.04 -0.20 1.15 117.51 124.22 1zzr h ILE 388 Ca 0.50 -0.62 0.06 0.00 1.00 0.00 0.00 64.86 65.79 1zzr h ILE 388 Cb 0.71 1.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1zzr h ILE 388 CO -0.36 0.15 0.19 -0.08 0.00 0.00 0.00 178.15 178.04 1zzr h GLU 389 N -0.49 0.10 0.00 2.37 4.22 -0.60 1.41 114.58 121.59 1zzr h GLU 389 Ca -0.02 -0.01 -0.10 0.00 0.08 0.00 0.00 59.36 59.31 1zzr h GLU 389 Cb 0.39 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1zzr h GLU 389 CO 0.03 0.07 -0.64 1.03 -2.18 0.00 0.00 179.01 177.32 1zzr h SER 390 N 0.11 0.00 -0.16 1.04 0.87 -0.49 -3.39 113.55 111.52 1zzr h SER 390 Ca 0.12 -0.49 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1zzr h SER 390 Cb 0.36 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 1zzr h SER 390 CO -0.01 1.11 0.00 0.35 -0.53 0.00 0.00 176.83 177.75 1zzr n THR 391 N -4.55 0.18 -0.92 2.23 -2.24 0.39 -4.93 114.28 104.44 1zzr n THR 391 Ca -0.18 -0.56 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1zzr n THR 391 Cb 0.47 1.20 0.00 0.00 -2.10 0.00 0.00 70.33 69.91 1zzr n THR 391 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1zzr n SER 392 N 1.27 -4.24 -0.65 3.42 3.41 0.48 -4.84 113.62 112.48 1zzr n SER 392 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1zzr n SER 392 Cb 0.57 -2.68 0.00 0.00 -0.26 0.00 0.00 64.21 61.84 1zzr n SER 392 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1zzr n THR 393 N -2.17 0.00 -3.82 6.66 5.66 -1.23 -4.72 114.28 114.67 1zzr n THR 393 Ca 0.00 0.00 -0.05 0.00 -3.05 0.00 0.00 64.05 60.95 1zzr n THR 393 Cb 0.31 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.10 1zzr n THR 393 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1zzr s TYR 394 N -6.33 -0.01 0.08 1.09 -0.85 -1.26 -2.88 117.35 107.19 1zzr s TYR 394 Ca 0.00 -0.41 0.09 0.00 -0.52 0.00 0.00 57.07 56.24 1zzr s TYR 394 Cb 0.00 0.71 -0.03 0.00 0.38 0.00 0.00 41.96 43.01 1zzr s TYR 394 CO 0.00 -1.03 -0.25 -0.65 -1.52 0.00 0.00 175.55 172.10 1zzr s GLN 395 N -2.75 1.49 0.25 -3.49 -1.52 -1.26 -5.07 119.66 107.31 1zzr s GLN 395 Ca 0.16 -1.17 -0.13 0.00 -1.95 0.00 0.00 55.36 52.27 1zzr s GLN 395 Cb -0.03 -1.78 -0.08 0.00 -0.22 0.00 0.00 33.01 30.91 1zzr s GLN 395 CO 0.05 0.44 0.63 -0.51 -0.25 0.00 0.00 175.29 175.65 1zzr s LEU 396 N -1.61 4.16 0.81 2.90 1.43 -1.26 -5.06 118.68 120.04 1zzr s LEU 396 Ca 0.11 1.11 -0.11 0.00 -1.03 0.00 0.00 54.13 54.21 1zzr s LEU 396 Cb -0.10 -3.77 0.08 0.00 0.03 0.00 0.00 46.19 42.43 1zzr s LEU 396 CO 0.04 -0.09 1.09 -0.54 0.23 0.00 0.00 176.35 177.07 1zzr s LYS 397 N -2.71 1.99 0.27 1.70 -0.14 -1.26 -4.80 119.74 114.79 1zzr s LYS 397 Ca 0.48 0.91 -0.04 0.00 -1.36 0.00 0.00 55.97 55.97 1zzr s LYS 397 Cb -0.12 -1.89 0.34 0.00 -1.68 0.00 0.00 37.83 34.49 1zzr s LYS 397 CO 0.19 -1.76 1.91 -0.44 -0.76 0.00 0.00 175.35 174.50 1zzr h ASP 398 N -1.20 1.01 -0.91 2.83 3.32 -1.99 -1.23 116.42 118.25 1zzr h ASP 398 Ca -0.46 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 56.58 1zzr h ASP 398 Cb 1.25 -0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.49 1zzr h ASP 398 CO 0.55 0.78 0.59 0.71 -1.72 0.00 0.00 179.24 180.15 1zzr h THR 399 N 1.16 1.08 -0.09 0.35 1.35 -2.00 -1.31 112.91 113.45 1zzr h THR 399 Ca 0.30 -0.36 -0.19 0.00 -0.55 0.00 0.00 66.41 65.61 1zzr h THR 399 Cb -0.04 -0.06 -0.00 0.00 -1.73 0.00 0.00 68.15 66.32 1zzr h THR 399 CO -0.06 0.19 -0.73 -0.33 -0.25 0.00 0.00 175.52 174.34 1zzr h GLU 400 N 1.05 0.44 0.25 4.72 5.08 -1.74 -2.06 114.58 122.32 1zzr h GLU 400 Ca 0.39 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1zzr h GLU 400 Cb 0.17 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1zzr h GLU 400 CO -0.14 0.99 -0.12 1.25 -1.00 0.00 0.00 179.01 180.00 1zzr h LEU 401 N 0.30 -0.28 -0.26 1.33 5.85 -0.42 0.21 115.31 122.04 1zzr h LEU 401 Ca -0.03 -0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1zzr h LEU 401 Cb 1.31 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.40 1zzr h LEU 401 CO 0.13 -0.18 0.15 0.40 -0.34 0.00 0.00 178.44 178.61 1zzr h ILE 402 N -0.36 1.04 -0.59 4.05 2.04 -1.30 -1.23 117.51 121.15 1zzr h ILE 402 Ca -0.03 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 1zzr h ILE 402 Cb 0.27 0.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1zzr h ILE 402 CO 0.06 0.06 0.31 0.22 0.00 0.00 0.00 178.15 178.79 1zzr h TYR 403 N 0.32 0.83 -0.66 1.37 3.20 -1.26 -1.48 116.97 119.29 1zzr h TYR 403 Ca 0.10 -0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.88 1zzr h TYR 403 Cb -0.01 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 1zzr h TYR 403 CO -0.07 0.61 0.17 0.78 -1.64 0.00 0.00 178.16 178.01 1zzr h GLY 404 N 0.80 1.11 0.76 1.82 0.00 -0.29 -1.78 103.07 105.50 1zzr h GLY 404 Ca 0.21 -0.66 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1zzr h GLY 404 CO -0.03 0.62 -0.06 0.00 0.00 0.00 0.00 176.54 177.07 1zzr h ALA 405 N 1.20 0.22 -0.54 3.60 0.00 -0.97 -0.73 119.26 122.04 1zzr h ALA 405 Ca 0.21 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1zzr h ALA 405 Cb 0.33 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1zzr h ALA 405 CO -0.00 0.01 0.30 0.87 0.00 0.00 0.00 179.25 180.43 1zzr h LYS 406 N 0.01 0.74 0.00 0.00 1.57 -1.22 -2.56 116.57 115.11 1zzr h LYS 406 Ca 0.04 -0.07 -0.17 0.00 -1.87 0.00 0.00 60.65 58.58 1zzr h LYS 406 Cb 0.52 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1zzr h LYS 406 CO 0.02 0.54 -0.80 0.45 -0.57 0.00 0.00 179.45 179.09 1zzr h HIS 407 N 0.75 0.00 -0.40 -1.35 3.86 -1.11 -0.10 115.15 116.79 1zzr h HIS 407 Ca 0.19 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.34 1zzr h HIS 407 Cb 0.01 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.46 1zzr h HIS 407 CO 0.00 0.80 -0.01 0.00 0.86 0.00 0.00 177.93 179.58 1zzr h ALA 408 N 1.20 1.22 -0.09 2.45 0.00 -0.74 0.23 119.26 123.53 1zzr h ALA 408 Ca -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1zzr h ALA 408 Cb 1.45 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.07 1zzr h ALA 408 CO 0.10 0.51 -0.07 2.35 0.00 0.00 0.00 179.25 182.15 1zzr h TRP 409 N 0.62 0.25 -0.87 0.00 7.01 -1.33 -2.21 115.95 119.42 1zzr h TRP 409 Ca 0.12 -0.07 0.14 0.00 2.11 0.00 0.00 58.89 61.20 1zzr h TRP 409 Cb 0.41 -0.05 -0.07 0.00 -2.10 0.00 0.00 29.16 27.35 1zzr h TRP 409 CO 0.02 0.60 0.56 -0.09 -2.79 0.00 0.00 178.44 176.74 1zzr h ARG 410 N -0.18 0.62 -0.01 2.65 2.43 -0.38 -1.65 114.38 117.85 1zzr h ARG 410 Ca 0.02 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1zzr h ARG 410 Cb 0.55 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 1zzr h ARG 410 CO 0.02 0.41 -0.14 0.09 -1.51 0.00 0.00 179.97 178.84 1zzr n ASN 411 N -4.55 1.12 -4.56 -3.80 3.02 0.76 -4.82 115.26 102.44 1zzr n ASN 411 Ca 0.17 -1.08 -0.30 0.00 -0.03 0.00 0.00 54.58 53.33 1zzr n ASN 411 Cb 0.48 0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 39.67 1zzr n ASN 411 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1zzr s ALA 412 N -2.30 1.78 0.56 5.41 0.00 -0.62 -4.72 121.76 121.86 1zzr s ALA 412 Ca 0.30 -1.18 0.35 0.00 0.00 0.00 0.00 51.96 51.43 1zzr s ALA 412 Cb 0.20 -4.48 1.91 0.00 0.00 0.00 0.00 23.12 20.76 1zzr s ALA 412 CO 0.44 -4.57 2.07 0.66 0.00 0.00 0.00 175.76 174.36 1zzr h SER 413 N 12.65 0.00 0.02 0.00 4.64 -1.88 -1.28 113.55 127.70 1zzr h SER 413 Ca -0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1zzr h SER 413 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1zzr h SER 413 CO 1.20 0.00 -0.07 0.54 -0.87 0.00 0.00 176.83 177.63 1zzr n ARG 414 N -2.88 1.70 -3.47 4.77 1.74 -1.26 -0.18 116.66 117.09 1zzr n ARG 414 Ca -0.02 -1.18 -0.39 0.00 -0.77 0.00 0.00 57.85 55.49 1zzr n ARG 414 Cb 0.21 -1.48 -0.10 0.00 -1.02 0.00 0.00 32.46 30.08 1zzr n ARG 414 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1zzr h VAL 416 N 5.40 0.00 -0.54 0.00 3.04 -1.90 -3.32 116.25 118.93 1zzr h VAL 416 Ca -0.33 -0.53 -0.10 0.00 -1.01 0.00 0.00 66.70 64.74 1zzr h VAL 416 Cb 1.17 1.49 -0.06 0.00 -2.01 0.00 0.00 31.29 31.89 1zzr h VAL 416 CO 0.61 0.00 0.12 0.61 -1.01 0.00 0.00 177.57 177.90 1zzr n GLY 417 N 1.29 3.00 0.00 3.17 0.00 -1.26 -4.40 105.19 106.98 1zzr n GLY 417 Ca 0.05 -0.77 0.05 0.00 0.00 0.00 0.00 46.02 45.35 1zzr n GLY 417 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1zzr n ARG 418 N 0.19 0.15 0.15 1.61 1.74 -1.25 -2.55 116.66 116.70 1zzr n ARG 418 Ca 0.28 0.18 0.12 0.00 -0.77 0.00 0.00 57.85 57.66 1zzr n ARG 418 Cb 1.11 -1.50 0.53 0.00 -1.02 0.00 0.00 32.46 31.59 1zzr n ARG 418 CO 0.00 0.00 0.00 1.51 -1.52 0.00 0.00 177.63 177.62 1zzr n ILE 419 N -1.27 0.89 1.25 0.55 3.06 -1.26 -1.17 119.36 121.41 1zzr n ILE 419 Ca 0.05 0.40 0.13 0.00 -2.50 0.00 0.00 62.75 60.83 1zzr n ILE 419 Cb 0.08 -1.36 0.32 0.00 0.54 0.00 0.00 39.64 39.21 1zzr n ILE 419 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1zzr n GLN 420 N -2.27 1.58 -0.28 9.51 1.13 -1.06 -4.68 117.38 121.32 1zzr n GLN 420 Ca 0.01 -1.10 0.10 0.00 -1.94 0.00 0.00 57.00 54.07 1zzr n GLN 420 Cb 0.16 -1.48 0.25 0.00 0.11 0.00 0.00 30.24 29.28 1zzr n GLN 420 CO 0.00 0.00 0.00 0.11 -1.44 0.00 0.00 177.06 175.73 1zzr h TRP 421 N 2.69 0.27 0.00 1.08 5.08 -1.35 -1.45 115.95 122.27 1zzr h TRP 421 Ca 0.00 0.05 0.00 0.00 1.08 0.00 0.00 58.89 60.02 1zzr h TRP 421 Cb 0.66 0.01 0.00 0.00 -3.00 0.00 0.00 29.16 26.83 1zzr h TRP 421 CO 0.00 -0.19 0.00 0.66 -1.28 0.00 0.00 178.44 177.63 1zzr h SER 422 N 0.21 0.00 -0.25 0.11 4.64 -1.84 -3.11 113.55 113.31 1zzr h SER 422 Ca 0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.82 1zzr h SER 422 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1zzr h SER 422 CO -0.63 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 175.62 1zzr n LYS 423 N -2.84 1.76 -1.69 4.77 5.02 -0.55 -4.96 118.16 119.67 1zzr n LYS 423 Ca 0.00 -1.16 -0.45 0.00 -2.02 0.00 0.00 58.31 54.69 1zzr n LYS 423 Cb 0.23 -1.34 -0.04 0.00 -0.02 0.00 0.00 35.03 33.86 1zzr n LYS 423 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1zzr n LEU 424 N 0.40 3.48 -4.63 -0.35 7.94 -1.18 -4.85 117.00 117.82 1zzr n LEU 424 Ca 0.14 1.06 -0.40 0.00 -1.11 0.00 0.00 56.01 55.69 1zzr n LEU 424 Cb 0.31 -1.48 -0.07 0.00 0.53 0.00 0.00 43.42 42.72 1zzr n LEU 424 CO 0.11 -0.09 0.36 -1.58 -1.11 0.00 0.00 177.39 175.08 1zzr s GLN 425 N 1.45 4.11 -0.23 1.96 2.00 -0.99 -4.99 119.66 122.96 1zzr s GLN 425 Ca 0.79 0.50 -0.10 0.00 -2.00 0.00 0.00 55.36 54.56 1zzr s GLN 425 Cb -0.61 -3.64 -0.05 0.00 0.80 0.00 0.00 33.01 29.51 1zzr s GLN 425 CO 0.37 -0.38 0.13 0.08 -0.50 0.00 0.00 175.29 174.99 1zzr s VAL 426 N 2.40 5.14 -0.32 1.34 1.01 -1.26 -2.01 120.40 126.69 1zzr s VAL 426 Ca 0.25 0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.26 1zzr s VAL 426 Cb -0.16 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.86 1zzr s VAL 426 CO 0.09 0.37 0.11 -0.36 0.00 0.00 0.00 175.10 175.30 1zzr s PHE 427 N 0.99 3.20 -0.58 5.22 0.08 0.35 -4.99 117.98 122.25 1zzr s PHE 427 Ca 0.06 -1.12 -0.28 0.00 0.12 0.00 0.00 56.93 55.71 1zzr s PHE 427 Cb -0.13 -2.29 0.03 0.00 -0.57 0.00 0.00 43.02 40.05 1zzr s PHE 427 CO 0.04 -0.64 1.25 0.34 -0.10 0.00 0.00 175.22 176.11 1zzr s ASP 428 N 1.48 6.36 -0.28 1.36 3.68 -1.26 -0.73 116.67 127.27 1zzr s ASP 428 Ca 0.01 0.14 0.10 0.00 2.13 0.00 0.00 52.55 54.93 1zzr s ASP 428 Cb -0.18 -2.55 0.51 0.00 -1.45 0.00 0.00 42.92 39.25 1zzr s ASP 428 CO 0.03 -1.55 1.47 0.00 0.13 0.00 0.00 175.17 175.25 1zzr n ALA 429 N 8.76 4.15 0.29 3.66 0.00 0.04 -4.70 120.51 132.71 1zzr n ALA 429 Ca 0.09 -3.03 0.18 0.00 0.00 0.00 0.00 53.44 50.68 1zzr n ALA 429 Cb 0.49 -0.75 0.88 0.00 0.00 0.00 0.00 19.45 20.08 1zzr n ALA 429 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1zzr h ARG 430 N 1.08 0.00 -0.02 0.00 3.08 -1.74 -2.12 114.38 114.66 1zzr h ARG 430 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1zzr h ARG 430 Cb 1.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.70 1zzr h ARG 430 CO 0.38 0.04 0.00 -0.40 -1.07 0.00 0.00 179.97 178.92 1zzr n ASP 431 N -3.29 0.54 -4.75 7.04 3.85 -1.26 -4.39 116.55 114.29 1zzr n ASP 431 Ca -0.01 -1.27 -0.36 0.00 -0.71 0.00 0.00 54.79 52.43 1zzr n ASP 431 Cb 0.20 -0.01 0.03 0.00 -1.35 0.00 0.00 41.12 39.99 1zzr n ASP 431 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1zzr n THR 433 N -1.53 0.00 -4.33 0.00 -2.24 -1.26 -4.83 114.28 100.09 1zzr n THR 433 Ca 0.13 -0.02 -0.17 0.00 -2.27 0.00 0.00 64.05 61.73 1zzr n THR 433 Cb 0.49 0.34 -0.10 0.00 -2.10 0.00 0.00 70.33 68.96 1zzr n THR 433 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1zzr s THR 434 N -0.17 0.60 0.35 4.28 -4.23 -1.26 -4.63 115.64 110.59 1zzr s THR 434 Ca 0.00 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.62 1zzr s THR 434 Cb 0.00 -2.65 0.08 0.00 1.34 0.00 0.00 72.50 71.28 1zzr s THR 434 CO 0.00 0.00 1.80 0.00 -0.54 0.00 0.00 174.62 175.88 1zzr h ALA 435 N 2.36 1.33 -0.14 3.99 0.00 -1.92 0.94 119.26 125.82 1zzr h ALA 435 Ca -0.38 -0.34 -0.22 0.00 0.00 0.00 0.00 54.91 53.96 1zzr h ALA 435 Cb 1.25 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1zzr h ALA 435 CO 0.61 0.49 -0.77 0.45 0.00 0.00 0.00 179.25 180.03 1zzr h HIS 436 N 0.07 1.04 0.33 0.00 -0.00 -1.96 -0.19 115.15 114.44 1zzr h HIS 436 Ca 0.01 -0.47 -0.00 0.00 -0.00 0.00 0.00 60.37 59.91 1zzr h HIS 436 Cb 0.67 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.90 1zzr h HIS 436 CO 0.00 1.30 -0.34 0.78 -0.00 0.00 0.00 177.93 179.67 1zzr h GLY 437 N 0.49 -0.79 0.00 2.45 0.00 -1.82 0.10 103.07 103.50 1zzr h GLY 437 Ca -0.06 0.40 0.16 0.00 0.00 0.00 0.00 47.33 47.83 1zzr h GLY 437 CO 0.16 -0.29 0.26 -0.33 0.00 0.00 0.00 176.54 176.34 1zzr h MET 438 N -0.70 0.35 -0.84 4.80 2.86 -0.79 0.14 114.93 120.74 1zzr h MET 438 Ca -0.02 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1zzr h MET 438 Cb 0.64 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 32.18 1zzr h MET 438 CO -0.07 0.23 0.53 0.35 1.06 0.00 0.00 176.91 179.00 1zzr h PHE 439 N 0.36 1.09 -0.23 -0.22 3.04 -0.04 0.20 116.94 121.14 1zzr h PHE 439 Ca 0.43 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.38 1zzr h PHE 439 Cb 0.72 -0.36 -0.01 0.00 2.56 0.00 0.00 35.95 38.86 1zzr h PHE 439 CO -0.21 0.72 0.09 -0.97 -2.02 0.00 0.00 178.31 175.92 1zzr h ASN 440 N 1.15 0.31 -0.74 0.41 -1.24 0.17 -0.77 115.58 114.87 1zzr h ASN 440 Ca 0.30 -0.16 0.01 0.00 0.71 0.00 0.00 56.30 57.17 1zzr h ASN 440 Cb -0.07 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 38.85 1zzr h ASN 440 CO -0.06 0.39 0.49 1.88 -1.29 0.00 0.00 177.43 178.83 1zzr h TYR 441 N 0.22 0.92 -0.33 0.67 -1.99 -0.58 -2.02 116.97 113.86 1zzr h TYR 441 Ca 0.08 0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.78 1zzr h TYR 441 Cb 0.17 -0.31 -0.01 0.00 2.00 0.00 0.00 36.73 38.58 1zzr h TYR 441 CO -0.01 0.56 0.00 0.82 -0.00 0.00 0.00 178.16 179.53 1zzr h ILE 442 N 0.98 1.26 -0.72 -2.88 2.04 -0.76 -1.51 117.51 115.92 1zzr h ILE 442 Ca 0.28 -0.96 0.04 0.00 1.00 0.00 0.00 64.86 65.21 1zzr h ILE 442 Cb -0.08 1.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 1zzr h ILE 442 CO -0.07 0.31 0.44 0.00 0.00 0.00 0.00 178.15 178.83 1zzr h ASN 444 N 0.86 0.87 0.09 0.00 2.35 -1.16 -0.93 115.58 117.65 1zzr h ASN 444 Ca 0.29 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1zzr h ASN 444 Cb 0.05 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.20 1zzr h ASN 444 CO -0.12 0.69 -0.04 -0.74 -1.65 0.00 0.00 177.43 175.57 1zzr h HIS 445 N 0.98 -0.11 -0.73 1.19 2.76 -0.23 -1.04 115.15 117.97 1zzr h HIS 445 Ca 0.25 -0.00 0.10 0.00 -2.20 0.00 0.00 60.37 58.52 1zzr h HIS 445 Cb 0.02 0.04 -0.08 0.00 1.55 0.00 0.00 27.41 28.94 1zzr h HIS 445 CO 0.01 0.20 0.36 0.28 -1.30 0.00 0.00 177.93 177.48 1zzr h VAL 446 N -0.42 0.81 -0.25 5.26 2.07 -0.76 0.23 116.25 123.19 1zzr h VAL 446 Ca -0.01 -0.20 -0.15 0.00 0.82 0.00 0.00 66.70 67.15 1zzr h VAL 446 Cb 0.36 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1zzr h VAL 446 CO 0.02 0.11 -0.44 0.50 0.02 0.00 0.00 177.57 177.78 1zzr h LYS 447 N 0.59 0.74 -0.46 1.57 3.64 -1.11 -0.49 116.57 121.04 1zzr h LYS 447 Ca 0.37 -0.46 -0.07 0.00 -1.27 0.00 0.00 60.65 59.22 1zzr h LYS 447 Cb 0.42 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1zzr h LYS 447 CO -0.29 1.08 0.02 -0.92 -2.27 0.00 0.00 179.45 177.07 1zzr h TYR 448 N 0.47 0.87 -0.31 1.91 3.20 -0.77 -2.20 116.97 120.13 1zzr h TYR 448 Ca 0.02 -0.14 -0.12 0.00 3.14 0.00 0.00 58.73 61.62 1zzr h TYR 448 Cb 1.04 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 1zzr h TYR 448 CO 0.08 0.83 -0.29 0.00 -1.64 0.00 0.00 178.16 177.14 1zzr h ALA 449 N 0.92 0.45 -0.53 1.82 0.00 -0.57 -3.25 119.26 118.11 1zzr h ALA 449 Ca 0.13 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.57 1zzr h ALA 449 Cb 0.48 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1zzr h ALA 449 CO 0.02 0.48 0.09 1.15 0.00 0.00 0.00 179.25 180.98 1zzr h THR 450 N 0.51 1.25 -6.81 0.00 2.02 -1.07 -0.96 112.91 107.84 1zzr h THR 450 Ca 0.05 -0.95 -0.56 0.00 0.77 0.00 0.00 66.41 65.72 1zzr h THR 450 Cb 0.86 0.84 -0.19 0.00 -1.74 0.00 0.00 68.15 67.92 1zzr h THR 450 CO 0.07 0.34 -0.89 -3.20 0.37 0.00 0.00 175.52 172.22 1zzr n ASN 451 N -4.38 -1.33 -2.23 4.18 5.15 -0.83 -0.33 115.26 115.49 1zzr n ASN 451 Ca 0.02 -1.10 -0.20 0.00 -0.60 0.00 0.00 54.58 52.70 1zzr n ASN 451 Cb 0.26 -2.44 -0.03 0.00 -0.53 0.00 0.00 39.78 37.05 1zzr n ASN 451 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 1zzr n LYS 452 N -4.39 -1.69 0.00 1.20 5.02 -1.26 -2.19 118.16 114.86 1zzr n LYS 452 Ca -0.12 1.00 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 1zzr n LYS 452 Cb 0.59 -5.60 0.00 0.00 -0.02 0.00 0.00 35.03 29.99 1zzr n LYS 452 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1zzr n GLY 453 N -0.86 2.54 3.07 0.72 0.00 0.55 -4.93 105.19 106.28 1zzr n GLY 453 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 1zzr n GLY 453 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1zzr n ASN 454 N 0.00 5.92 -4.61 1.61 4.05 -0.93 -0.52 115.26 120.79 1zzr n ASN 454 Ca 0.00 -3.25 -0.42 0.00 0.45 0.00 0.00 54.58 51.35 1zzr n ASN 454 Cb 0.00 -1.35 0.00 0.00 1.23 0.00 0.00 39.78 39.66 1zzr n ASN 454 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 1zzr n LEU 455 N 2.37 2.40 -3.99 1.20 4.77 -1.22 -4.53 117.00 117.99 1zzr n LEU 455 Ca 0.29 1.08 -0.21 0.00 -0.03 0.00 0.00 56.01 57.14 1zzr n LEU 455 Cb 0.35 -1.34 -0.16 0.00 -2.33 0.00 0.00 43.42 39.95 1zzr n LEU 455 CO 0.69 -1.42 -0.44 -0.13 -1.33 0.00 0.00 177.39 174.75 1zzr s ARG 456 N -1.87 1.07 0.36 3.23 0.52 -0.37 -5.03 118.95 116.86 1zzr s ARG 456 Ca 0.61 -0.29 -0.28 0.00 -0.52 0.00 0.00 55.73 55.25 1zzr s ARG 456 Cb -0.59 -0.98 -0.11 0.00 0.52 0.00 0.00 34.95 33.79 1zzr s ARG 456 CO 0.58 0.07 1.43 -1.12 0.02 0.00 0.00 175.30 176.29 1zzr s SER 457 N 0.38 6.47 0.15 0.23 0.01 -1.26 -4.50 113.70 115.18 1zzr s SER 457 Ca -0.06 2.95 -0.22 0.00 1.31 0.00 0.00 55.95 59.92 1zzr s SER 457 Cb -0.11 -2.66 0.06 0.00 0.21 0.00 0.00 66.02 63.52 1zzr s SER 457 CO 0.01 -0.77 0.57 0.00 0.41 0.00 0.00 173.24 173.46 1zzr s ALA 458 N -1.13 -1.50 -0.10 1.44 0.00 -0.41 -2.35 121.76 117.71 1zzr s ALA 458 Ca 0.52 0.42 -0.09 0.00 0.00 0.00 0.00 51.96 52.81 1zzr s ALA 458 Cb -0.45 0.84 0.03 0.00 0.00 0.00 0.00 23.12 23.54 1zzr s ALA 458 CO 0.60 -0.74 0.27 -1.50 0.00 0.00 0.00 175.76 174.39 1zzr s ILE 459 N -3.70 0.00 -0.17 0.00 2.07 -0.85 -0.61 121.20 117.93 1zzr s ILE 459 Ca 0.01 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.23 1zzr s ILE 459 Cb -0.01 -0.39 0.01 0.00 0.13 0.00 0.00 42.46 42.21 1zzr s ILE 459 CO -0.12 -0.01 -0.17 -0.89 -1.91 0.00 0.00 174.94 171.83 1zzr s THR 460 N 0.08 2.34 -0.38 4.00 2.01 -0.59 -0.49 115.64 122.61 1zzr s THR 460 Ca -0.01 -0.86 -0.09 0.00 0.31 0.00 0.00 61.69 61.04 1zzr s THR 460 Cb -0.02 -1.99 0.05 0.00 0.01 0.00 0.00 72.50 70.55 1zzr s THR 460 CO 0.00 0.52 0.20 -0.63 -0.69 0.00 0.00 174.62 174.03 1zzr s ILE 461 N 1.12 4.27 1.04 1.82 1.01 0.09 -3.27 121.20 127.29 1zzr s ILE 461 Ca 0.01 -1.11 -0.18 0.00 0.00 0.00 0.00 60.65 59.37 1zzr s ILE 461 Cb -0.14 -3.47 0.24 0.00 0.01 0.00 0.00 42.46 39.10 1zzr s ILE 461 CO -0.07 -0.32 1.31 -0.36 0.00 0.00 0.00 174.94 175.51 1zzr s PHE 462 N 1.47 1.10 0.35 3.97 0.08 -0.66 -0.78 117.98 123.52 1zzr s PHE 462 Ca 0.01 0.26 -0.29 0.00 0.12 0.00 0.00 56.93 57.04 1zzr s PHE 462 Cb -0.21 -4.12 -0.11 0.00 -0.57 0.00 0.00 43.02 38.02 1zzr s PHE 462 CO 0.04 -3.06 1.49 -2.30 -0.10 0.00 0.00 175.22 171.29 1zzr n PRO 463 N -4.05 2.61 -1.13 0.24 -0.02 -1.26 -4.58 135.00 126.81 1zzr n PRO 463 Ca 0.16 0.92 -0.30 0.00 -2.02 0.00 0.00 63.50 62.26 1zzr n PRO 463 Cb 0.59 -2.64 0.15 0.00 -0.02 0.00 0.00 33.50 31.57 1zzr n PRO 463 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1zzr s GLN 464 N -1.69 1.13 0.41 -0.52 -2.07 -1.26 -4.57 119.66 111.09 1zzr s GLN 464 Ca 0.56 0.88 -0.25 0.00 -1.82 0.00 0.00 55.36 54.73 1zzr s GLN 464 Cb -0.49 -1.79 -0.08 0.00 -1.09 0.00 0.00 33.01 29.55 1zzr s GLN 464 CO 0.60 -2.34 1.20 0.50 -1.32 0.00 0.00 175.29 173.93 1zzr s ARG 465 N -4.89 3.98 0.00 9.60 3.52 0.18 -4.92 118.95 126.43 1zzr s ARG 465 Ca 0.64 1.90 0.00 0.00 -0.13 0.00 0.00 55.73 58.14 1zzr s ARG 465 Cb -0.19 -2.65 0.00 0.00 -1.56 0.00 0.00 34.95 30.55 1zzr s ARG 465 CO 0.57 -0.40 0.00 0.25 -0.81 0.00 0.00 175.30 174.91 1zzr n THR 466 N -0.00 0.00 -0.96 4.11 -2.24 -1.26 -4.78 114.28 109.15 1zzr n THR 466 Ca 0.05 0.04 0.09 0.00 -2.27 0.00 0.00 64.05 61.95 1zzr n THR 466 Cb 0.46 -0.77 0.14 0.00 -2.10 0.00 0.00 70.33 68.07 1zzr n THR 466 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1zzr n ASP 467 N -1.49 2.52 0.00 3.42 5.75 -1.26 -4.95 116.55 120.54 1zzr n ASP 467 Ca 0.00 -2.97 0.00 0.00 -0.01 0.00 0.00 54.79 51.81 1zzr n ASP 467 Cb 0.00 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.69 1zzr n ASP 467 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1zzr n GLY 468 N -1.22 0.83 0.92 6.12 0.00 -1.26 -4.63 105.19 105.95 1zzr n GLY 468 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1zzr n GLY 468 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1zzr n LYS 469 N -1.83 2.22 -2.67 1.61 5.02 -1.26 -4.27 118.16 116.98 1zzr n LYS 469 Ca 0.00 -1.83 -0.08 0.00 -2.02 0.00 0.00 58.31 54.38 1zzr n LYS 469 Cb 0.00 -1.47 0.03 0.00 -0.02 0.00 0.00 35.03 33.57 1zzr n LYS 469 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1zzr n HIS 470 N 1.09 1.19 -3.31 2.13 8.25 -1.26 -4.47 115.22 118.84 1zzr n HIS 470 Ca 0.17 -2.73 -0.36 0.00 -0.26 0.00 0.00 57.72 54.54 1zzr n HIS 470 Cb 0.52 -0.36 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 1zzr n HIS 470 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1zzr s ASP 471 N -3.19 6.90 0.00 0.41 1.01 -1.26 -4.13 116.67 116.42 1zzr s ASP 471 Ca 0.27 1.16 -0.16 0.00 0.71 0.00 0.00 52.55 54.53 1zzr s ASP 471 Cb 0.45 -2.32 -0.06 0.00 1.01 0.00 0.00 42.92 42.00 1zzr s ASP 471 CO 0.03 0.13 0.44 -0.36 0.21 0.00 0.00 175.17 175.62 1zzr s PHE 472 N -1.40 3.73 -0.08 4.23 0.40 -1.26 -2.47 117.98 121.12 1zzr s PHE 472 Ca 0.37 1.03 -0.14 0.00 -0.60 0.00 0.00 56.93 57.59 1zzr s PHE 472 Cb -0.16 -2.35 0.03 0.00 0.51 0.00 0.00 43.02 41.06 1zzr s PHE 472 CO 0.19 0.60 0.35 1.03 0.70 0.00 0.00 175.22 178.09 1zzr s ARG 473 N -0.95 0.54 -0.31 0.44 1.81 -0.52 -3.34 118.95 116.62 1zzr s ARG 473 Ca 0.25 0.21 -0.08 0.00 -1.72 0.00 0.00 55.73 54.39 1zzr s ARG 473 Cb -0.17 0.25 0.01 0.00 -0.45 0.00 0.00 34.95 34.59 1zzr s ARG 473 CO 0.14 -0.11 0.11 0.08 -0.68 0.00 0.00 175.30 174.84 1zzr s VAL 474 N -0.48 4.16 0.33 3.52 1.01 -1.26 -0.98 120.40 126.71 1zzr s VAL 474 Ca -0.06 -0.69 0.26 0.00 0.00 0.00 0.00 61.98 61.49 1zzr s VAL 474 Cb -0.04 -3.18 0.27 0.00 0.00 0.00 0.00 36.38 33.43 1zzr s VAL 474 CO 0.02 0.02 1.99 -0.50 0.00 0.00 0.00 175.10 176.63 1zzr h TRP 475 N 8.28 0.00 -4.26 5.22 4.06 -1.62 -3.42 115.95 124.21 1zzr h TRP 475 Ca -0.30 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.13 1zzr h TRP 475 Cb 1.12 0.00 0.13 0.00 -1.00 0.00 0.00 29.16 29.41 1zzr h TRP 475 CO 0.61 0.16 0.34 -0.80 -3.56 0.00 0.00 178.44 175.19 1zzr s ASN 476 N -6.20 4.61 0.18 -3.49 -0.87 -1.26 -4.93 114.94 102.99 1zzr s ASN 476 Ca -0.02 1.95 0.19 0.00 -1.57 0.00 0.00 52.86 53.40 1zzr s ASN 476 Cb 0.12 -2.54 -0.01 0.00 -0.02 0.00 0.00 41.25 38.80 1zzr s ASN 476 CO 0.60 -1.97 1.09 0.77 -2.57 0.00 0.00 177.10 175.03 1zzr h SER 477 N -0.68 0.00 -5.05 -1.22 4.64 -1.91 -3.36 113.55 105.96 1zzr h SER 477 Ca -0.45 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.75 1zzr h SER 477 Cb 1.24 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.15 1zzr h SER 477 CO 0.52 0.35 -0.40 -1.10 -0.87 0.00 0.00 176.83 175.32 1zzr s GLN 478 N -3.08 0.66 0.24 4.77 -0.21 -1.26 -1.66 119.66 119.12 1zzr s GLN 478 Ca 0.00 -0.57 -0.07 0.00 0.02 0.00 0.00 55.36 54.75 1zzr s GLN 478 Cb 0.08 0.27 0.24 0.00 1.00 0.00 0.00 33.01 34.61 1zzr s GLN 478 CO 0.78 -0.19 1.92 -0.07 -2.12 0.00 0.00 175.29 175.61 1zzr h LEU 479 N 3.61 1.10 -7.87 2.90 3.38 -1.53 -3.39 115.31 113.52 1zzr h LEU 479 Ca -0.32 -0.03 -0.66 0.00 0.09 0.00 0.00 57.88 56.96 1zzr h LEU 479 Cb 1.19 -0.28 -0.37 0.00 0.09 0.00 0.00 40.66 41.30 1zzr h LEU 479 CO 0.47 0.80 -0.81 -0.63 0.09 0.00 0.00 178.44 178.36 1zzr s ILE 480 N -6.11 2.07 -0.01 1.22 1.01 -1.26 -4.88 121.20 113.23 1zzr s ILE 480 Ca -0.13 -1.48 -0.10 0.00 0.00 0.00 0.00 60.65 58.94 1zzr s ILE 480 Cb 0.17 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.50 1zzr s ILE 480 CO 0.81 0.04 0.21 -0.13 0.00 0.00 0.00 174.94 175.87 1zzr s ARG 481 N 1.17 0.53 0.43 2.79 0.52 -1.26 -4.86 118.95 118.26 1zzr s ARG 481 Ca -0.07 -0.26 -0.18 0.00 -0.52 0.00 0.00 55.73 54.71 1zzr s ARG 481 Cb -0.19 0.23 -0.09 0.00 0.52 0.00 0.00 34.95 35.42 1zzr s ARG 481 CO -0.06 -0.13 0.90 0.71 0.02 0.00 0.00 175.30 176.74 1zzr s TYR 482 N -1.22 3.37 0.63 -0.53 4.12 -1.26 -0.60 117.35 121.86 1zzr s TYR 482 Ca -0.13 1.45 -0.11 0.00 0.02 0.00 0.00 57.07 58.30 1zzr s TYR 482 Cb -0.06 -2.74 -0.04 0.00 -1.52 0.00 0.00 41.96 37.60 1zzr s TYR 482 CO 0.02 -0.14 1.03 0.00 0.02 0.00 0.00 175.55 176.49 1zzr s ALA 483 N -2.28 3.07 -0.08 3.71 0.00 -0.15 -4.58 121.76 121.45 1zzr s ALA 483 Ca 0.59 -0.10 -0.01 0.00 0.00 0.00 0.00 51.96 52.44 1zzr s ALA 483 Cb -0.10 -3.08 0.03 0.00 0.00 0.00 0.00 23.12 19.97 1zzr s ALA 483 CO 0.20 -0.73 -0.02 0.20 0.00 0.00 0.00 175.76 175.41 1zzr s GLY 484 N -4.18 0.55 -0.05 0.00 0.00 -1.24 -1.31 107.32 101.08 1zzr s GLY 484 Ca 0.55 -0.21 0.07 0.00 0.00 0.00 0.00 44.72 45.13 1zzr s GLY 484 CO 0.54 0.98 -0.25 -0.19 0.00 0.00 0.00 173.10 174.18 1zzr s TYR 485 N 1.78 2.42 -0.42 1.90 1.51 0.12 -3.88 117.35 120.78 1zzr s TYR 485 Ca 0.03 -0.62 -0.24 0.00 -1.01 0.00 0.00 57.07 55.23 1zzr s TYR 485 Cb -0.13 -1.57 0.02 0.00 -0.11 0.00 0.00 41.96 40.17 1zzr s TYR 485 CO -0.05 -0.15 0.83 0.15 -1.11 0.00 0.00 175.55 175.22 1zzr s LYS 486 N -0.31 3.57 0.64 -0.62 1.02 -1.26 0.14 119.74 122.92 1zzr s LYS 486 Ca 0.01 0.13 -0.08 0.00 0.02 0.00 0.00 55.97 56.05 1zzr s LYS 486 Cb -0.13 -3.89 0.01 0.00 -0.52 0.00 0.00 37.83 33.30 1zzr s LYS 486 CO 0.02 -1.06 0.99 -0.65 -0.92 0.00 0.00 175.35 173.73 1zzr s GLN 487 N 3.38 2.92 0.33 1.68 -0.21 -0.55 -4.95 119.66 122.27 1zzr s GLN 487 Ca 0.33 0.23 0.04 0.00 0.02 0.00 0.00 55.36 55.98 1zzr s GLN 487 Cb -0.12 -2.16 0.66 0.00 1.00 0.00 0.00 33.01 32.39 1zzr s GLN 487 CO 0.22 -0.84 1.91 -1.35 -2.12 0.00 0.00 175.29 173.11 1zzr h PRO 488 N -0.38 0.85 0.00 2.91 0.11 -1.97 -0.62 132.00 132.90 1zzr h PRO 488 Ca -0.45 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1zzr h PRO 488 Cb 1.25 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1zzr h PRO 488 CO 0.62 0.56 0.19 -3.47 -0.21 0.00 0.00 178.00 175.69 1zzr n ASP 489 N -4.51 0.00 0.00 -2.05 4.64 -1.26 -4.68 116.55 108.69 1zzr n ASP 489 Ca 0.14 0.27 0.00 0.00 -1.38 0.00 0.00 54.79 53.83 1zzr n ASP 489 Cb 0.29 -0.27 0.00 0.00 -1.04 0.00 0.00 41.12 40.09 1zzr n ASP 489 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1zzr n GLY 490 N -1.26 2.93 3.57 0.27 0.00 -0.24 -5.00 105.19 105.47 1zzr n GLY 490 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1zzr n GLY 490 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1zzr s SER 491 N -0.20 1.47 -0.07 1.61 1.04 -1.26 -4.76 113.70 111.53 1zzr s SER 491 Ca 0.00 1.17 0.05 0.00 0.48 0.00 0.00 55.95 57.65 1zzr s SER 491 Cb 0.00 -1.80 -0.01 0.00 0.10 0.00 0.00 66.02 64.31 1zzr s SER 491 CO 0.00 -3.85 -0.24 -0.89 0.98 0.00 0.00 173.24 169.24 1zzr s THR 492 N -2.75 2.04 -0.20 2.02 2.01 -1.26 -1.48 115.64 116.02 1zzr s THR 492 Ca 0.67 -1.04 -0.14 0.00 0.31 0.00 0.00 61.69 61.50 1zzr s THR 492 Cb -0.19 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.53 1zzr s THR 492 CO 0.60 0.56 0.29 -0.22 -0.69 0.00 0.00 174.62 175.16 1zzr s LEU 493 N 0.05 4.17 0.00 4.42 2.96 0.38 -4.93 118.68 125.74 1zzr s LEU 493 Ca -0.10 0.39 0.00 0.00 -0.22 0.00 0.00 54.13 54.20 1zzr s LEU 493 Cb -0.15 -2.34 0.00 0.00 0.50 0.00 0.00 46.19 44.19 1zzr s LEU 493 CO 0.06 0.03 0.00 0.61 -1.32 0.00 0.00 176.35 175.73 1zzr n GLY 494 N 3.83 0.32 3.51 7.98 0.00 -1.26 0.16 105.19 119.73 1zzr n GLY 494 Ca -0.12 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.15 1zzr n GLY 494 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1zzr s ASP 495 N -4.00 6.29 0.52 1.61 -1.08 -0.43 -4.79 116.67 114.79 1zzr s ASP 495 Ca 0.00 -0.39 0.20 0.00 -0.52 0.00 0.00 52.55 51.84 1zzr s ASP 495 Cb 0.00 -2.29 1.30 0.00 -1.46 0.00 0.00 42.92 40.47 1zzr s ASP 495 CO 0.00 -0.71 2.07 -0.65 0.52 0.00 0.00 175.17 176.40 1zzr h PRO 496 N 8.80 0.04 0.00 4.34 0.11 -1.83 -1.78 132.00 141.68 1zzr h PRO 496 Ca -0.26 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 1zzr h PRO 496 Cb 1.10 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 1zzr h PRO 496 CO 0.86 0.03 -0.01 0.00 -0.21 0.00 0.00 178.00 178.67 1zzr h ALA 497 N 1.86 1.40 -0.01 -0.75 0.00 -1.93 -2.81 119.26 117.02 1zzr h ALA 497 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1zzr h ALA 497 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1zzr h ALA 497 CO -0.01 0.01 -0.23 0.09 0.00 0.00 0.00 179.25 179.12 1zzr n ASN 498 N -3.68 1.64 -0.33 0.00 3.02 -0.68 -4.72 115.26 110.52 1zzr n ASN 498 Ca -0.03 -1.32 0.00 0.00 -0.03 0.00 0.00 54.58 53.20 1zzr n ASN 498 Cb 0.09 0.37 0.05 0.00 -0.61 0.00 0.00 39.78 39.68 1zzr n ASN 498 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1zzr n VAL 499 N 0.04 -0.44 0.39 2.41 0.31 -1.06 0.30 118.33 120.28 1zzr n VAL 499 Ca 0.06 2.01 -0.19 0.00 -0.01 0.00 0.00 64.34 66.22 1zzr n VAL 499 Cb 0.31 -2.68 -0.10 0.00 -0.91 0.00 0.00 33.84 30.47 1zzr n VAL 499 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1zzr h GLN 500 N 0.00 -1.07 -0.70 5.55 4.15 -1.83 -2.53 115.11 118.67 1zzr h GLN 500 Ca 0.32 0.07 0.09 0.00 0.77 0.00 0.00 58.65 59.90 1zzr h GLN 500 Cb 0.53 0.24 -0.07 0.00 0.21 0.00 0.00 27.48 28.40 1zzr h GLN 500 CO -0.86 -0.72 0.34 0.35 -1.93 0.00 0.00 178.83 176.01 1zzr h PHE 501 N -1.12 0.61 0.00 3.99 3.57 -1.48 0.25 116.94 122.76 1zzr h PHE 501 Ca -0.09 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.44 1zzr h PHE 501 Cb 0.91 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.48 1zzr h PHE 501 CO -0.12 0.21 0.19 1.15 -2.23 0.00 0.00 178.31 177.51 1zzr h THR 502 N 0.58 0.00 0.10 4.41 2.02 0.12 -0.38 112.91 119.77 1zzr h THR 502 Ca 0.34 0.00 -0.37 0.00 0.77 0.00 0.00 66.41 67.16 1zzr h THR 502 Cb 0.37 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.45 1zzr h THR 502 CO -0.27 0.00 -2.07 -0.62 0.37 0.00 0.00 175.52 172.93 1zzr n GLU 503 N -2.77 0.74 0.18 6.66 1.02 0.80 -3.61 120.64 123.66 1zzr n GLU 503 Ca -0.02 0.25 0.13 0.00 -0.02 0.00 0.00 57.16 57.50 1zzr n GLU 503 Cb 0.24 -1.68 0.64 0.00 -0.02 0.00 0.00 31.44 30.62 1zzr n GLU 503 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1zzr h ILE 504 N 0.04 0.00 0.06 -3.67 2.04 -0.19 0.37 117.51 116.16 1zzr h ILE 504 Ca -0.45 -0.10 -0.11 0.00 1.00 0.00 0.00 64.86 65.20 1zzr h ILE 504 Cb 2.00 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 1zzr h ILE 504 CO 0.05 0.00 -0.51 0.00 0.00 0.00 0.00 178.15 177.69 1zzr h ILE 506 N -0.73 1.15 0.00 0.00 2.04 -1.28 0.18 117.51 118.87 1zzr h ILE 506 Ca -0.11 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1zzr h ILE 506 Cb 1.31 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1zzr h ILE 506 CO 0.04 0.15 0.09 -0.61 0.00 0.00 0.00 178.15 177.81 1zzr h GLN 507 N 0.70 0.00 0.00 2.37 4.15 -0.42 0.25 115.11 122.15 1zzr h GLN 507 Ca 0.19 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.61 1zzr h GLN 507 Cb -0.04 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.65 1zzr h GLN 507 CO -0.04 0.00 -1.40 1.04 -1.93 0.00 0.00 178.83 176.50 1zzr n GLN 508 N -2.55 0.74 0.00 1.69 1.13 0.37 -5.01 117.38 113.75 1zzr n GLN 508 Ca -0.02 -0.09 0.00 0.00 -1.94 0.00 0.00 57.00 54.95 1zzr n GLN 508 Cb 0.13 -1.41 0.00 0.00 0.11 0.00 0.00 30.24 29.07 1zzr n GLN 508 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1zzr n GLY 509 N 1.43 1.27 3.60 1.08 0.00 0.88 -5.00 105.19 108.46 1zzr n GLY 509 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1zzr n GLY 509 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1zzr n TRP 510 N 0.00 1.26 -3.30 1.61 -0.00 -0.76 -4.90 117.44 111.34 1zzr n TRP 510 Ca 0.00 0.63 -0.44 0.00 -0.00 0.00 0.00 57.50 57.69 1zzr n TRP 510 Cb 0.00 -2.25 -0.00 0.00 -0.00 0.00 0.00 31.31 29.06 1zzr n TRP 510 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32 1zzr n LYS 511 N 0.51 3.65 -1.65 5.87 5.02 -1.26 -4.49 118.16 125.81 1zzr n LYS 511 Ca 0.09 -4.48 -0.47 0.00 -2.02 0.00 0.00 58.31 51.43 1zzr n LYS 511 Cb 0.35 -2.54 -0.04 0.00 -0.02 0.00 0.00 35.03 32.78 1zzr n LYS 511 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1zzr n ALA 512 N 2.45 0.80 1.72 7.82 0.00 -1.26 -4.87 120.51 127.17 1zzr n ALA 512 Ca 0.24 0.46 0.11 0.00 0.00 0.00 0.00 53.44 54.26 1zzr n ALA 512 Cb 0.38 -2.28 0.57 0.00 0.00 0.00 0.00 19.45 18.12 1zzr n ALA 512 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1zzr n PRO 513 N 3.12 1.29 -4.08 0.00 -0.02 -1.26 -4.95 135.00 129.10 1zzr n PRO 513 Ca 0.17 -0.43 -0.46 0.00 -2.02 0.00 0.00 63.50 60.76 1zzr n PRO 513 Cb 0.27 -1.38 0.02 0.00 -0.02 0.00 0.00 33.50 32.38 1zzr n PRO 513 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1zzr n ARG 514 N -0.39 -0.24 -4.37 -0.52 1.74 -1.26 -4.98 116.66 106.63 1zzr n ARG 514 Ca 0.17 0.04 -0.30 0.00 -0.77 0.00 0.00 57.85 56.99 1zzr n ARG 514 Cb 0.18 -2.29 -0.05 0.00 -1.02 0.00 0.00 32.46 29.29 1zzr n ARG 514 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1zzr s GLY 515 N -3.58 2.73 0.43 -0.13 0.00 -1.26 -5.04 107.32 100.48 1zzr s GLY 515 Ca 0.47 -0.80 0.23 0.00 0.00 0.00 0.00 44.72 44.63 1zzr s GLY 515 CO 0.94 -2.08 1.64 -0.09 0.00 0.00 0.00 173.10 173.51 1zzr h ARG 516 N 1.10 0.00 -1.91 2.90 2.43 -1.93 -3.39 114.38 113.58 1zzr h ARG 516 Ca -0.41 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.22 1zzr h ARG 516 Cb 1.31 0.00 -0.38 0.00 -0.42 0.00 0.00 29.97 30.48 1zzr h ARG 516 CO 0.67 0.08 -1.09 1.19 -1.51 0.00 0.00 179.97 179.31 1zzr n PHE 517 N -3.13 -0.45 -3.20 2.20 3.01 -1.26 -4.34 117.46 110.29 1zzr n PHE 517 Ca 0.03 -3.50 -0.43 0.00 1.01 0.00 0.00 57.45 54.56 1zzr n PHE 517 Cb 0.53 -0.27 -0.08 0.00 -0.01 0.00 0.00 39.48 39.65 1zzr n PHE 517 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1zzr s ASP 518 N -1.30 6.27 -0.03 4.37 1.01 -1.26 -4.93 116.67 120.80 1zzr s ASP 518 Ca 0.35 -0.50 -0.33 0.00 0.71 0.00 0.00 52.55 52.78 1zzr s ASP 518 Cb 0.19 -2.28 -0.11 0.00 1.01 0.00 0.00 42.92 41.73 1zzr s ASP 518 CO -0.11 -0.70 1.88 0.52 0.21 0.00 0.00 175.17 176.96 1zzr n VAL 519 N 5.68 0.57 -0.85 -1.27 0.31 -1.26 -0.98 118.33 120.52 1zzr n VAL 519 Ca -0.04 -0.10 -0.28 0.00 -0.01 0.00 0.00 64.34 63.90 1zzr n VAL 519 Cb 0.48 -1.96 0.22 0.00 -0.91 0.00 0.00 33.84 31.67 1zzr n VAL 519 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1zzr s LEU 520 N 3.84 1.00 0.03 7.52 1.43 0.23 -4.88 118.68 127.85 1zzr s LEU 520 Ca 0.90 1.25 0.01 0.00 -1.03 0.00 0.00 54.13 55.26 1zzr s LEU 520 Cb -0.62 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.32 1zzr s LEU 520 CO 0.48 -3.82 0.11 -2.16 0.23 0.00 0.00 176.35 171.18 1zzr s PRO 521 N -4.77 3.09 0.38 1.29 0.04 -1.26 -4.76 135.00 129.00 1zzr s PRO 521 Ca 0.67 -0.54 -0.26 0.00 0.04 0.00 0.00 61.00 60.92 1zzr s PRO 521 Cb -0.21 -2.86 -0.09 0.00 0.04 0.00 0.00 34.50 31.38 1zzr s PRO 521 CO 0.61 0.62 1.12 -0.51 0.04 0.00 0.00 177.00 178.88 1zzr s LEU 522 N -2.08 4.25 -0.37 -3.56 1.43 0.39 -4.81 118.68 113.92 1zzr s LEU 522 Ca 0.27 2.25 0.03 0.00 -1.03 0.00 0.00 54.13 55.65 1zzr s LEU 522 Cb -0.12 -3.99 0.11 0.00 0.03 0.00 0.00 46.19 42.21 1zzr s LEU 522 CO 0.19 -0.52 0.11 -0.22 0.23 0.00 0.00 176.35 176.13 1zzr s LEU 523 N -2.34 4.07 -0.13 1.79 0.20 -1.26 -1.70 118.68 119.31 1zzr s LEU 523 Ca 0.55 -2.23 -0.06 0.00 0.69 0.00 0.00 54.13 53.08 1zzr s LEU 523 Cb -0.28 -1.44 -0.04 0.00 -0.43 0.00 0.00 46.19 43.99 1zzr s LEU 523 CO 0.36 -0.36 0.08 -0.76 -0.29 0.00 0.00 176.35 175.38 1zzr s LEU 524 N 0.81 3.99 -0.14 -0.68 1.43 -0.22 -1.59 118.68 122.28 1zzr s LEU 524 Ca 0.12 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.51 1zzr s LEU 524 Cb -0.20 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.06 1zzr s LEU 524 CO -0.09 0.33 -0.22 -1.58 0.23 0.00 0.00 176.35 175.02 1zzr s GLN 525 N -0.58 3.03 0.00 1.70 0.74 -0.15 -1.00 119.66 123.40 1zzr s GLN 525 Ca 0.11 -0.85 0.07 0.00 0.05 0.00 0.00 55.36 54.73 1zzr s GLN 525 Cb -0.12 -2.43 -0.02 0.00 1.10 0.00 0.00 33.01 31.55 1zzr s GLN 525 CO 0.02 0.01 -0.21 0.00 -0.55 0.00 0.00 175.29 174.56 1zzr s ALA 526 N 0.76 1.74 -0.93 1.58 0.00 -1.26 -1.45 121.76 122.21 1zzr s ALA 526 Ca -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 50.93 1zzr s ALA 526 Cb -0.16 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.55 1zzr s ALA 526 CO -0.01 0.42 0.00 -1.71 0.00 0.00 0.00 175.76 174.46 1zzr n ASN 527 N 2.36 -2.46 0.00 0.00 4.05 -1.26 -0.61 115.26 117.35 1zzr n ASN 527 Ca -0.16 0.23 0.00 0.00 0.45 0.00 0.00 54.58 55.10 1zzr n ASN 527 Cb 0.53 -2.42 0.00 0.00 1.23 0.00 0.00 39.78 39.12 1zzr n ASN 527 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1zzr n GLY 528 N -0.24 1.22 3.47 8.20 0.00 -1.03 -4.30 105.19 112.51 1zzr n GLY 528 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 1zzr n GLY 528 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1zzr s ASN 529 N -2.19 0.12 0.50 1.61 0.01 0.22 -4.91 114.94 110.30 1zzr s ASN 529 Ca 0.00 0.76 -0.21 0.00 -0.71 0.00 0.00 52.86 52.70 1zzr s ASN 529 Cb 0.00 -1.08 -0.07 0.00 0.41 0.00 0.00 41.25 40.51 1zzr s ASN 529 CO 0.00 -4.63 1.10 -1.81 -1.51 0.00 0.00 177.10 170.25 1zzr s ASP 530 N -3.53 6.10 0.50 -1.22 -0.00 -1.26 -4.41 116.67 112.85 1zzr s ASP 530 Ca 0.70 2.11 -0.20 0.00 -0.00 0.00 0.00 52.55 55.16 1zzr s ASP 530 Cb -0.12 -2.58 -0.07 0.00 -0.00 0.00 0.00 42.92 40.15 1zzr s ASP 530 CO 0.57 -0.95 1.09 -2.16 -0.00 0.00 0.00 175.17 173.71 1zzr s PRO 531 N -3.08 3.64 0.08 8.23 0.04 -1.26 -4.68 135.00 137.98 1zzr s PRO 531 Ca 0.68 1.51 0.08 0.00 0.04 0.00 0.00 61.00 63.30 1zzr s PRO 531 Cb -0.22 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 1zzr s PRO 531 CO 0.26 -0.59 -0.20 -1.21 0.04 0.00 0.00 177.00 175.30 1zzr s GLU 532 N -3.16 1.16 0.43 4.56 2.02 -0.17 -4.87 118.70 118.68 1zzr s GLU 532 Ca 0.69 -1.08 -0.05 0.00 0.02 0.00 0.00 54.97 54.54 1zzr s GLU 532 Cb -0.21 -1.37 -0.04 0.00 0.10 0.00 0.00 34.13 32.61 1zzr s GLU 532 CO 0.24 0.33 0.73 -0.51 0.02 0.00 0.00 175.26 176.07 1zzr s LEU 533 N -1.69 3.75 -0.28 1.80 1.43 -1.25 -1.05 118.68 121.39 1zzr s LEU 533 Ca 0.06 0.87 -0.19 0.00 -1.03 0.00 0.00 54.13 53.84 1zzr s LEU 533 Cb -0.10 -3.79 0.08 0.00 0.03 0.00 0.00 46.19 42.41 1zzr s LEU 533 CO 0.03 -0.48 0.70 -0.36 0.23 0.00 0.00 176.35 176.48 1zzr s PHE 534 N -2.57 -0.98 -0.52 0.29 0.40 -0.69 -4.95 117.98 108.96 1zzr s PHE 534 Ca 0.47 2.07 -0.17 0.00 -0.60 0.00 0.00 56.93 58.69 1zzr s PHE 534 Cb -0.10 0.52 0.10 0.00 0.51 0.00 0.00 43.02 44.04 1zzr s PHE 534 CO 0.40 -0.48 0.52 -1.14 0.70 0.00 0.00 175.22 175.22 1zzr s GLN 535 N 1.23 3.02 -0.02 0.44 2.00 -1.26 -0.46 119.66 124.60 1zzr s GLN 535 Ca -0.07 -1.40 -0.39 0.00 -2.00 0.00 0.00 55.36 51.50 1zzr s GLN 535 Cb -0.05 -4.21 -0.19 0.00 0.80 0.00 0.00 33.01 29.37 1zzr s GLN 535 CO -0.13 -1.25 1.24 -0.89 -0.50 0.00 0.00 175.29 173.76 1zzr n ILE 536 N 5.34 0.02 -1.44 -2.34 5.41 -1.26 -4.68 119.36 120.40 1zzr n ILE 536 Ca -0.12 -0.00 -0.54 0.00 1.00 0.00 0.00 62.75 63.09 1zzr n ILE 536 Cb 0.42 -0.40 -0.08 0.00 -0.71 0.00 0.00 39.64 38.87 1zzr n ILE 536 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1zzr n PRO 537 N 2.26 0.87 -0.44 0.38 -0.02 -1.26 -4.75 135.00 132.04 1zzr n PRO 537 Ca 0.21 0.25 0.36 0.00 -2.02 0.00 0.00 63.50 62.30 1zzr n PRO 537 Cb 0.11 -2.21 0.64 0.00 -0.02 0.00 0.00 33.50 32.03 1zzr n PRO 537 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1zzr h PRO 538 N 10.89 0.10 0.00 0.52 0.11 -1.96 1.23 132.00 142.90 1zzr h PRO 538 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1zzr h PRO 538 Cb 1.34 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1zzr h PRO 538 CO 1.02 0.07 0.00 1.05 -0.21 0.00 0.00 178.00 179.93 1zzr h GLU 539 N 0.11 0.00 -0.00 1.05 9.09 -2.00 -2.89 114.58 119.93 1zzr h GLU 539 Ca 0.80 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.21 1zzr h GLU 539 Cb 2.50 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.60 1zzr h GLU 539 CO -0.40 0.00 -0.67 1.28 0.05 0.00 0.00 179.01 179.27 1zzr n LEU 540 N -2.36 0.90 -4.33 3.06 4.77 0.42 -4.79 117.00 114.67 1zzr n LEU 540 Ca 0.02 -0.30 -0.46 0.00 -0.03 0.00 0.00 56.01 55.24 1zzr n LEU 540 Cb 0.22 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1zzr n LEU 540 CO 0.20 0.21 0.25 -0.69 -1.33 0.00 0.00 177.39 176.03 1zzr s VAL 541 N -2.90 5.18 -0.26 4.08 1.01 -1.09 -4.75 120.40 121.68 1zzr s VAL 541 Ca 0.12 -1.55 -0.29 0.00 0.00 0.00 0.00 61.98 60.26 1zzr s VAL 541 Cb 0.17 -4.40 0.00 0.00 0.00 0.00 0.00 36.38 32.16 1zzr s VAL 541 CO 0.73 -0.96 1.19 -0.22 0.00 0.00 0.00 175.10 175.85 1zzr s LEU 542 N 1.62 4.01 0.20 3.92 2.96 -1.26 -5.00 118.68 125.13 1zzr s LEU 542 Ca 0.08 1.32 0.10 0.00 -0.22 0.00 0.00 54.13 55.40 1zzr s LEU 542 Cb -0.25 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.85 1zzr s LEU 542 CO 0.02 -0.88 -0.11 -1.61 -1.32 0.00 0.00 176.35 172.44 1zzr s GLU 543 N 3.72 1.98 -0.13 1.98 2.02 -1.26 -0.14 118.70 126.87 1zzr s GLU 543 Ca 0.51 -1.38 0.01 0.00 0.02 0.00 0.00 54.97 54.14 1zzr s GLU 543 Cb -0.17 -2.08 0.02 0.00 0.10 0.00 0.00 34.13 32.00 1zzr s GLU 543 CO 0.16 0.41 -0.16 0.08 0.02 0.00 0.00 175.26 175.77 1zzr s VAL 544 N -1.87 1.65 0.14 2.63 1.01 0.26 -4.88 120.40 119.33 1zzr s VAL 544 Ca 0.26 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 1zzr s VAL 544 Cb -0.08 -1.51 -0.07 0.00 0.00 0.00 0.00 36.38 34.72 1zzr s VAL 544 CO 0.15 0.47 1.21 -2.16 0.00 0.00 0.00 175.10 174.77 1zzr s PRO 545 N 1.18 4.46 -0.37 2.72 0.04 -1.26 -2.07 135.00 139.71 1zzr s PRO 545 Ca -0.01 1.84 -0.20 0.00 0.04 0.00 0.00 61.00 62.67 1zzr s PRO 545 Cb -0.14 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 31.13 1zzr s PRO 545 CO -0.06 -0.16 0.62 0.42 0.04 0.00 0.00 177.00 177.85 1zzr s ILE 546 N 0.41 4.90 0.02 0.56 -1.09 0.75 -4.80 121.20 121.95 1zzr s ILE 546 Ca 0.56 0.44 0.03 0.00 -2.23 0.00 0.00 60.65 59.45 1zzr s ILE 546 Cb -0.32 -4.09 -0.01 0.00 -1.58 0.00 0.00 42.46 36.46 1zzr s ILE 546 CO 0.33 -0.36 -0.09 0.00 -1.23 0.00 0.00 174.94 173.59 1zzr s ARG 547 N 2.68 0.67 0.30 2.79 3.03 -1.26 -4.23 118.95 122.92 1zzr s ARG 547 Ca 0.23 -0.52 -0.17 0.00 2.03 0.00 0.00 55.73 57.30 1zzr s ARG 547 Cb -0.15 -0.60 -0.09 0.00 -1.03 0.00 0.00 34.95 33.08 1zzr s ARG 547 CO 0.15 0.15 0.74 -1.58 -1.13 0.00 0.00 175.30 173.64 1zzr s HIS 548 N -0.66 3.45 -0.77 5.89 2.46 -1.26 -4.29 115.29 120.11 1zzr s HIS 548 Ca -0.01 1.28 0.04 0.00 0.47 0.00 0.00 55.06 56.84 1zzr s HIS 548 Cb -0.06 -2.57 0.22 0.00 -0.13 0.00 0.00 32.58 30.04 1zzr s HIS 548 CO 0.00 0.15 0.85 -0.35 -2.47 0.00 0.00 174.74 172.93 1zzr n PRO 549 N -0.07 2.02 0.00 2.88 -0.04 -1.26 -4.12 135.00 134.42 1zzr n PRO 549 Ca 0.02 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.64 1zzr n PRO 549 Cb 0.53 -1.69 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 1zzr n PRO 549 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1zzr n LYS 550 N 0.16 0.00 -3.22 0.54 4.76 -1.26 -5.05 118.16 114.09 1zzr n LYS 550 Ca 0.08 0.00 -0.46 0.00 -2.87 0.00 0.00 58.31 55.06 1zzr n LYS 550 Cb 0.52 -0.15 -0.04 0.00 -1.84 0.00 0.00 35.03 33.52 1zzr n LYS 550 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 1zzr s PHE 551 N -1.00 3.23 0.53 2.13 2.99 -1.26 -4.90 117.98 119.70 1zzr s PHE 551 Ca 0.00 -1.29 0.30 0.00 0.00 0.00 0.00 56.93 55.94 1zzr s PHE 551 Cb 0.00 -3.91 1.74 0.00 0.00 0.00 0.00 43.02 40.85 1zzr s PHE 551 CO 0.00 -1.15 2.20 -0.44 -0.00 0.00 0.00 175.22 175.83 1zzr h ASP 552 N 8.81 0.00 1.10 1.36 3.32 -1.97 -1.24 116.42 127.80 1zzr h ASP 552 Ca -0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.85 1zzr h ASP 552 Cb 1.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.63 1zzr h ASP 552 CO 1.02 0.04 0.00 4.11 -1.72 0.00 0.00 179.24 182.69 1zzr h TRP 553 N 0.00 0.00 -0.53 4.55 5.08 -1.96 -3.23 115.95 119.86 1zzr h TRP 553 Ca -0.00 0.00 0.09 0.00 1.08 0.00 0.00 58.89 60.06 1zzr h TRP 553 Cb 0.13 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.22 1zzr h TRP 553 CO 0.00 0.00 0.14 0.35 -1.28 0.00 0.00 178.44 177.65 1zzr h PHE 554 N 0.00 0.24 -0.37 0.12 3.57 -1.60 -0.30 116.94 118.60 1zzr h PHE 554 Ca 0.00 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.64 1zzr h PHE 554 Cb 0.55 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1zzr h PHE 554 CO 0.00 0.03 0.37 1.57 -2.23 0.00 0.00 178.31 178.05 1zzr h LYS 555 N 0.30 0.00 0.00 1.11 2.10 -1.73 0.34 116.57 118.69 1zzr h LYS 555 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 1zzr h LYS 555 Cb 0.34 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.67 1zzr h LYS 555 CO -0.31 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 176.89 1zzr n ASP 556 N -3.85 0.42 0.23 7.07 8.00 -0.12 -1.77 116.55 126.53 1zzr n ASP 556 Ca 0.06 0.61 0.16 0.00 0.71 0.00 0.00 54.79 56.32 1zzr n ASP 556 Cb 0.53 -0.69 0.62 0.00 -0.02 0.00 0.00 41.12 41.56 1zzr n ASP 556 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1zzr h LEU 557 N 0.00 0.00 -0.96 0.64 3.38 -1.03 -3.46 115.31 113.87 1zzr h LEU 557 Ca 0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 1zzr h LEU 557 Cb 0.31 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.20 1zzr h LEU 557 CO 0.00 0.00 -0.66 0.61 0.09 0.00 0.00 178.44 178.48 1zzr n GLY 558 N 0.05 -0.46 3.88 0.83 0.00 -0.73 -5.00 105.19 103.77 1zzr n GLY 558 Ca 0.01 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 1zzr n GLY 558 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1zzr s LEU 559 N -6.90 4.39 0.02 0.99 1.43 -1.26 -5.03 118.68 112.32 1zzr s LEU 559 Ca 0.49 0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 53.94 1zzr s LEU 559 Cb -0.22 -2.24 0.02 0.00 0.03 0.00 0.00 46.19 43.78 1zzr s LEU 559 CO 0.69 0.37 0.31 -1.59 0.23 0.00 0.00 176.35 176.36 1zzr s LYS 560 N -1.24 0.77 0.03 1.70 -2.85 -1.26 -0.17 119.74 116.72 1zzr s LYS 560 Ca 0.19 -0.39 -0.00 0.00 -1.00 0.00 0.00 55.97 54.76 1zzr s LYS 560 Cb -0.13 0.34 -0.03 0.00 -2.06 0.00 0.00 37.83 35.96 1zzr s LYS 560 CO 0.08 -0.24 -0.03 -0.46 0.10 0.00 0.00 175.35 174.80 1zzr s TRP 561 N -2.14 0.36 0.45 1.78 -0.11 -0.88 -4.95 118.94 113.45 1zzr s TRP 561 Ca -0.08 -0.68 -0.21 0.00 1.22 0.00 0.00 56.10 56.35 1zzr s TRP 561 Cb -0.02 -0.26 -0.10 0.00 -1.50 0.00 0.00 33.47 31.59 1zzr s TRP 561 CO -0.01 -0.24 0.99 1.52 -4.62 0.00 0.00 176.95 174.60 1zzr s TYR 562 N -2.15 3.18 -0.90 5.86 -0.85 -1.26 -0.57 117.35 120.66 1zzr s TYR 562 Ca -0.09 1.60 0.27 0.00 -0.52 0.00 0.00 57.07 58.33 1zzr s TYR 562 Cb -0.05 -2.96 0.89 0.00 0.38 0.00 0.00 41.96 40.21 1zzr s TYR 562 CO -0.03 -0.45 1.72 0.41 -1.52 0.00 0.00 175.55 175.67 1zzr n GLY 563 N -0.37 -1.48 3.20 5.49 0.00 0.81 -4.78 105.19 108.05 1zzr n GLY 563 Ca 0.08 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1zzr n GLY 563 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1zzr s LEU 564 N -3.48 4.59 -0.11 0.99 2.96 -1.26 -4.57 118.68 117.79 1zzr s LEU 564 Ca 0.12 -1.50 -0.24 0.00 -0.22 0.00 0.00 54.13 52.29 1zzr s LEU 564 Cb 0.17 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 45.00 1zzr s LEU 564 CO 0.60 -0.40 0.74 -2.16 -1.32 0.00 0.00 176.35 173.81 1zzr s PRO 565 N 1.28 4.37 -0.43 0.98 0.04 -1.26 -4.67 135.00 135.31 1zzr s PRO 565 Ca 0.01 0.90 0.04 0.00 0.04 0.00 0.00 61.00 61.99 1zzr s PRO 565 Cb -0.21 -3.50 0.17 0.00 0.04 0.00 0.00 34.50 31.00 1zzr s PRO 565 CO -0.01 -0.09 0.44 0.00 0.04 0.00 0.00 177.00 177.39 1zzr s ALA 566 N 1.34 0.02 -0.03 8.56 0.00 -1.26 -3.60 121.76 126.79 1zzr s ALA 566 Ca 0.37 -1.54 -0.35 0.00 0.00 0.00 0.00 51.96 50.43 1zzr s ALA 566 Cb -0.17 -2.00 -0.14 0.00 0.00 0.00 0.00 23.12 20.81 1zzr s ALA 566 CO 0.16 -2.09 1.72 0.28 0.00 0.00 0.00 175.76 175.82 1zzr n VAL 567 N 3.26 0.31 -0.10 0.00 0.31 -0.96 -1.30 118.33 119.84 1zzr n VAL 567 Ca 0.22 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.49 1zzr n VAL 567 Cb 0.49 -1.56 0.00 0.00 -0.91 0.00 0.00 33.84 31.86 1zzr n VAL 567 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1zzr n SER 568 N 5.09 1.34 -0.75 4.52 3.41 -0.67 -1.63 113.62 124.93 1zzr n SER 568 Ca 0.21 -1.44 0.07 0.00 -0.26 0.00 0.00 58.87 57.45 1zzr n SER 568 Cb 0.25 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.38 1zzr n SER 568 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 1zzr n ASN 569 N -0.22 3.09 -4.96 4.04 2.04 -1.24 -4.40 115.26 113.62 1zzr n ASN 569 Ca 0.00 -2.01 -0.22 0.00 -0.44 0.00 0.00 54.58 51.91 1zzr n ASN 569 Cb 0.15 -0.27 0.03 0.00 -2.53 0.00 0.00 39.78 37.16 1zzr n ASN 569 CO 0.00 0.00 0.00 -0.04 -0.44 0.00 0.00 177.26 176.78 1zzr s MET 570 N -1.02 2.67 -0.15 -3.83 -1.94 -1.26 -4.37 119.30 109.40 1zzr s MET 570 Ca 0.27 -0.65 0.00 0.00 -1.71 0.00 0.00 55.69 53.60 1zzr s MET 570 Cb 0.14 -2.48 -0.00 0.00 2.01 0.00 0.00 34.83 34.50 1zzr s MET 570 CO 0.18 -0.63 -0.15 -1.17 -0.01 0.00 0.00 175.02 173.25 1zzr s LEU 571 N -4.74 2.51 -0.24 -0.03 0.20 -0.12 -4.35 118.68 111.90 1zzr s LEU 571 Ca 0.55 -0.45 -0.12 0.00 0.69 0.00 0.00 54.13 54.80 1zzr s LEU 571 Cb -0.10 -1.57 -0.05 0.00 -0.43 0.00 0.00 46.19 44.04 1zzr s LEU 571 CO 0.39 0.10 0.24 -0.22 -0.29 0.00 0.00 176.35 176.57 1zzr s LEU 572 N 0.74 4.09 -0.20 -0.68 2.96 -0.66 -0.76 118.68 124.17 1zzr s LEU 572 Ca -0.06 0.19 -0.03 0.00 -0.22 0.00 0.00 54.13 54.00 1zzr s LEU 572 Cb -0.15 -2.23 -0.01 0.00 0.50 0.00 0.00 46.19 44.29 1zzr s LEU 572 CO 0.01 -0.02 -0.05 -0.70 -1.32 0.00 0.00 176.35 174.27 1zzr s GLU 573 N 1.38 3.40 -0.08 1.98 2.12 -0.63 -0.87 118.70 126.01 1zzr s GLU 573 Ca 0.11 -0.62 0.01 0.00 0.36 0.00 0.00 54.97 54.82 1zzr s GLU 573 Cb -0.15 -2.96 0.02 0.00 0.26 0.00 0.00 34.13 31.31 1zzr s GLU 573 CO 0.07 -0.11 -0.09 0.42 -0.54 0.00 0.00 175.26 175.01 1zzr s ILE 574 N 1.25 0.98 -1.51 -3.70 1.01 -0.65 -2.65 121.20 115.91 1zzr s ILE 574 Ca 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 1zzr s ILE 574 Cb -0.14 -0.95 0.03 0.00 0.01 0.00 0.00 42.46 41.41 1zzr s ILE 574 CO -0.02 0.34 0.37 0.61 0.00 0.00 0.00 174.94 176.24 1zzr n GLY 575 N 4.30 -0.24 4.02 6.18 0.00 -1.26 -0.21 105.19 117.99 1zzr n GLY 575 Ca -0.19 0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1zzr n GLY 575 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zzr n GLY 576 N -2.02 2.85 3.77 -0.02 0.00 -1.26 -3.75 105.19 104.77 1zzr n GLY 576 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1zzr n GLY 576 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1zzr s LEU 577 N 0.00 4.29 -0.11 0.99 1.43 0.71 -5.03 118.68 120.96 1zzr s LEU 577 Ca 0.00 2.06 0.02 0.00 -1.03 0.00 0.00 54.13 55.17 1zzr s LEU 577 Cb 0.00 -4.00 -0.01 0.00 0.03 0.00 0.00 46.19 42.21 1zzr s LEU 577 CO 0.00 -0.31 -0.18 -1.61 0.23 0.00 0.00 176.35 174.48 1zzr s GLU 578 N -2.12 3.22 -0.34 1.70 2.02 -1.26 -1.64 118.70 120.28 1zzr s GLU 578 Ca 0.53 -0.77 0.03 0.00 0.02 0.00 0.00 54.97 54.78 1zzr s GLU 578 Cb -0.24 -2.48 0.10 0.00 0.10 0.00 0.00 34.13 31.60 1zzr s GLU 578 CO 0.30 0.21 0.05 -0.06 0.02 0.00 0.00 175.26 175.79 1zzr s PHE 579 N 0.31 3.73 -1.52 1.61 0.40 -0.04 0.50 117.98 122.97 1zzr s PHE 579 Ca -0.14 -2.93 0.23 0.00 -0.60 0.00 0.00 56.93 53.50 1zzr s PHE 579 Cb -0.17 -2.90 1.21 0.00 0.51 0.00 0.00 43.02 41.67 1zzr s PHE 579 CO 0.07 -0.95 1.77 -1.13 0.70 0.00 0.00 175.22 175.68 1zzr n SER 580 N 4.29 0.00 -3.59 1.36 3.41 -1.26 -1.65 113.62 116.18 1zzr n SER 580 Ca 0.03 -0.15 -0.29 0.00 -0.26 0.00 0.00 58.87 58.20 1zzr n SER 580 Cb 0.42 -0.24 -0.15 0.00 -0.26 0.00 0.00 64.21 63.97 1zzr n SER 580 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1zzr s ALA 581 N -2.48 0.76 -0.41 7.33 0.00 -1.21 -4.56 121.76 121.19 1zzr s ALA 581 Ca 0.24 -1.06 0.09 0.00 0.00 0.00 0.00 51.96 51.24 1zzr s ALA 581 Cb 0.16 -1.37 0.32 0.00 0.00 0.00 0.00 23.12 22.23 1zzr s ALA 581 CO 0.34 -1.57 0.84 0.00 0.00 0.00 0.00 175.76 175.37 1zzr n PRO 583 N 0.50 2.47 -4.13 0.00 -0.04 -1.20 -4.70 135.00 127.90 1zzr n PRO 583 Ca 0.18 0.87 -0.10 0.00 -0.04 0.00 0.00 63.50 64.40 1zzr n PRO 583 Cb 0.66 -2.54 -0.10 0.00 -0.04 0.00 0.00 33.50 31.47 1zzr n PRO 583 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1zzr s PHE 584 N -1.07 0.76 -0.01 0.54 -0.12 -0.65 -1.54 117.98 115.91 1zzr s PHE 584 Ca 0.54 -0.84 -0.19 0.00 -0.05 0.00 0.00 56.93 56.39 1zzr s PHE 584 Cb -0.51 -0.46 0.04 0.00 -0.63 0.00 0.00 43.02 41.46 1zzr s PHE 584 CO 0.63 -0.17 0.42 -1.54 -0.05 0.00 0.00 175.22 174.51 1zzr s SER 585 N -2.66 -0.32 0.00 1.98 1.04 0.22 -2.27 113.70 111.68 1zzr s SER 585 Ca 0.05 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1zzr s SER 585 Cb 0.02 0.40 0.00 0.00 0.10 0.00 0.00 66.02 66.53 1zzr s SER 585 CO -0.04 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.24 1zzr n GLY 586 N 0.97 3.32 3.31 7.32 0.00 -1.24 -1.29 105.19 117.59 1zzr n GLY 586 Ca -0.20 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.33 1zzr n GLY 586 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1zzr s TRP 587 N 2.61 -0.17 0.52 1.61 -2.14 -1.26 -4.66 118.94 115.45 1zzr s TRP 587 Ca 0.00 -0.16 -0.20 0.00 2.66 0.00 0.00 56.10 58.40 1zzr s TRP 587 Cb 0.00 0.23 -0.07 0.00 -3.10 0.00 0.00 33.47 30.53 1zzr s TRP 587 CO 0.00 -0.69 1.09 0.71 -2.66 0.00 0.00 176.95 175.40 1zzr s TYR 588 N -3.81 2.81 -0.14 1.66 1.51 -1.26 -4.90 117.35 113.21 1zzr s TYR 588 Ca 0.03 1.56 -0.07 0.00 -1.01 0.00 0.00 57.07 57.58 1zzr s TYR 588 Cb 0.02 -3.21 -0.04 0.00 -0.11 0.00 0.00 41.96 38.62 1zzr s TYR 588 CO -0.12 -1.27 0.11 1.41 -1.11 0.00 0.00 175.55 174.57 1zzr s MET 589 N -3.23 3.63 0.21 -0.62 -2.45 -1.26 -1.13 119.30 114.45 1zzr s MET 589 Ca 0.70 -0.22 -0.16 0.00 -1.25 0.00 0.00 55.69 54.76 1zzr s MET 589 Cb -0.21 -3.20 0.22 0.00 1.25 0.00 0.00 34.83 32.89 1zzr s MET 589 CO 0.24 0.59 1.59 0.78 1.05 0.00 0.00 175.02 179.27 1zzr h GLY 590 N 5.63 0.19 0.38 2.11 0.00 0.15 -2.01 103.07 109.51 1zzr h GLY 590 Ca -0.49 0.37 0.22 0.00 0.00 0.00 0.00 47.33 47.44 1zzr h GLY 590 CO 0.63 -0.24 0.58 -0.91 0.00 0.00 0.00 176.54 176.60 1zzr h THR 591 N -0.07 0.62 -0.96 4.70 1.35 -1.93 -1.77 112.91 114.85 1zzr h THR 591 Ca 0.30 -0.03 0.12 0.00 -0.55 0.00 0.00 66.41 66.25 1zzr h THR 591 Cb 0.56 0.51 -0.08 0.00 -1.73 0.00 0.00 68.15 67.42 1zzr h THR 591 CO -0.77 0.02 0.61 -0.33 -0.25 0.00 0.00 175.52 174.80 1zzr h GLU 592 N 0.10 0.90 0.00 4.72 5.08 -1.77 -0.14 114.58 123.47 1zzr h GLU 592 Ca 0.40 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.65 1zzr h GLU 592 Cb 1.44 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.48 1zzr h GLU 592 CO -0.05 0.59 -0.52 0.82 -1.00 0.00 0.00 179.01 178.86 1zzr h ILE 593 N 0.92 0.41 -0.76 3.13 2.04 -1.51 -2.25 117.51 119.50 1zzr h ILE 593 Ca 0.46 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.90 1zzr h ILE 593 Cb 0.49 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.43 1zzr h ILE 593 CO -0.23 0.14 0.48 1.23 0.00 0.00 0.00 178.15 179.77 1zzr h GLY 594 N -1.00 1.08 0.00 5.37 0.00 -1.38 -0.95 103.07 106.19 1zzr h GLY 594 Ca -0.08 -0.42 -0.13 0.00 0.00 0.00 0.00 47.33 46.70 1zzr h GLY 594 CO -0.05 0.41 -1.21 -0.62 0.00 0.00 0.00 176.54 175.07 1zzr n VAL 595 N -4.40 1.49 -0.02 4.60 0.31 -0.08 -4.04 118.33 116.19 1zzr n VAL 595 Ca 0.08 0.03 -0.05 0.00 -0.01 0.00 0.00 64.34 64.39 1zzr n VAL 595 Cb 0.05 -2.22 -0.04 0.00 -0.91 0.00 0.00 33.84 30.71 1zzr n VAL 595 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1zzr h ARG 596 N -1.00 -0.07 -0.40 5.55 2.47 -1.57 -2.07 114.38 117.29 1zzr h ARG 596 Ca -0.19 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.49 1zzr h ARG 596 Cb 1.03 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 29.35 1zzr h ARG 596 CO -0.12 0.23 0.10 -0.91 0.56 0.00 0.00 179.97 179.83 1zzr h ASN 597 N -1.00 0.61 0.67 7.04 2.35 -1.32 -1.79 115.58 122.14 1zzr h ASN 597 Ca -0.01 -0.23 -0.27 0.00 -0.55 0.00 0.00 56.30 55.25 1zzr h ASN 597 Cb 0.33 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 1zzr h ASN 597 CO 0.01 0.67 -1.28 1.88 -1.65 0.00 0.00 177.43 177.07 1zzr h TYR 598 N 0.51 0.35 0.00 1.19 0.99 -1.36 -2.12 116.97 116.52 1zzr h TYR 598 Ca 0.13 -0.25 0.00 0.00 2.00 0.00 0.00 58.73 60.60 1zzr h TYR 598 Cb 0.30 -0.01 0.00 0.00 1.00 0.00 0.00 36.73 38.02 1zzr h TYR 598 CO 0.02 1.23 -0.72 0.00 -0.00 0.00 0.00 178.16 178.68 1zzr n ASP 600 N -1.39 2.73 0.08 0.00 9.92 -0.67 -4.66 116.55 122.56 1zzr n ASP 600 Ca 0.01 1.03 -0.02 0.00 -0.53 0.00 0.00 54.79 55.28 1zzr n ASP 600 Cb 0.19 -1.56 0.23 0.00 -0.64 0.00 0.00 41.12 39.35 1zzr n ASP 600 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 1zzr h ASN 601 N 1.73 0.30 -0.16 -2.24 4.21 -1.94 -2.38 115.58 115.11 1zzr h ASN 601 Ca -0.50 -0.12 0.00 0.00 1.21 0.00 0.00 56.30 56.89 1zzr h ASN 601 Cb 1.30 -0.08 0.00 0.00 -1.12 0.00 0.00 38.32 38.41 1zzr h ASN 601 CO 0.58 0.64 0.00 -1.54 -1.29 0.00 0.00 177.43 175.82 1zzr n SER 602 N -4.07 0.84 0.00 5.81 3.41 -1.26 -4.56 113.62 113.79 1zzr n SER 602 Ca -0.01 -2.00 0.00 0.00 -0.26 0.00 0.00 58.87 56.60 1zzr n SER 602 Cb 0.45 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 1zzr n SER 602 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1zzr n ARG 603 N -0.04 1.26 0.00 4.33 5.12 -0.92 -4.29 116.66 122.11 1zzr n ARG 603 Ca 0.05 0.00 0.08 0.00 -1.93 0.00 0.00 57.85 56.05 1zzr n ARG 603 Cb 0.13 0.00 0.39 0.00 -1.16 0.00 0.00 32.46 31.82 1zzr n ARG 603 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 1zzr n TYR 604 N 0.00 0.00 -2.50 -1.55 4.02 -0.80 -4.67 117.16 111.67 1zzr n TYR 604 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.90 57.86 1zzr n TYR 604 Cb 0.00 -0.37 0.00 0.00 -0.02 0.00 0.00 39.34 38.95 1zzr n TYR 604 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1zzr n ASN 605 N -1.37 -0.50 -0.92 7.72 4.05 -1.03 -4.86 115.26 118.35 1zzr n ASN 605 Ca 0.06 -0.09 0.10 0.00 0.45 0.00 0.00 54.58 55.09 1zzr n ASN 605 Cb 0.15 -0.16 0.16 0.00 1.23 0.00 0.00 39.78 41.16 1zzr n ASN 605 CO 0.00 0.00 0.00 2.30 -3.05 0.00 0.00 177.26 176.51 1zzr n ILE 606 N -0.65 0.46 -0.17 -1.44 -5.35 -0.19 -4.67 119.36 107.35 1zzr n ILE 606 Ca -0.03 -0.73 -0.01 0.00 -0.27 0.00 0.00 62.75 61.70 1zzr n ILE 606 Cb 0.07 0.98 0.08 0.00 -1.74 0.00 0.00 39.64 39.04 1zzr n ILE 606 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1zzr h LEU 607 N 3.64 -0.00 -0.13 7.28 3.38 -1.88 -1.98 115.31 125.63 1zzr h LEU 607 Ca 0.00 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1zzr h LEU 607 Cb 0.85 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 1zzr h LEU 607 CO 0.00 0.02 0.03 -0.33 0.09 0.00 0.00 178.44 178.25 1zzr h GLU 608 N 0.24 0.08 -0.09 1.13 5.08 -1.99 0.16 114.58 119.20 1zzr h GLU 608 Ca 0.27 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.66 1zzr h GLU 608 Cb 0.37 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.56 1zzr h GLU 608 CO -0.35 0.05 -0.18 0.93 -1.00 0.00 0.00 179.01 178.46 1zzr h GLU 609 N 0.08 -0.24 -0.31 2.33 5.08 -1.81 0.83 114.58 120.55 1zzr h GLU 609 Ca 0.06 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1zzr h GLU 609 Cb 0.04 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1zzr h GLU 609 CO -0.07 -0.16 0.06 0.28 -1.00 0.00 0.00 179.01 178.12 1zzr h VAL 610 N -0.25 1.15 0.19 3.13 2.07 -1.16 -1.75 116.25 119.64 1zzr h VAL 610 Ca 0.08 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.05 1zzr h VAL 610 Cb 0.37 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1zzr h VAL 610 CO -0.23 0.19 -0.09 0.00 0.02 0.00 0.00 177.57 177.46 1zzr h ALA 611 N 1.64 -0.26 -0.24 1.67 0.00 0.37 -2.51 119.26 119.93 1zzr h ALA 611 Ca 0.10 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1zzr h ALA 611 Cb 0.19 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1zzr h ALA 611 CO -0.00 -0.59 -0.08 0.87 0.00 0.00 0.00 179.25 179.45 1zzr h LYS 612 N -0.37 -0.03 -0.01 0.00 1.57 -0.38 -1.37 116.57 115.97 1zzr h LYS 612 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1zzr h LYS 612 Cb 0.29 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.61 1zzr h LYS 612 CO 0.04 -0.02 0.03 0.87 -0.57 0.00 0.00 179.45 179.81 1zzr h LYS 613 N -0.03 0.00 -0.00 3.15 1.79 -1.27 0.12 116.57 120.32 1zzr h LYS 613 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 1zzr h LYS 613 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 1zzr h LYS 613 CO -0.26 0.00 -0.55 -1.33 -1.08 0.00 0.00 179.45 176.22 1zzr n MET 614 N -3.28 0.41 -3.49 3.15 2.81 -0.57 -4.97 117.12 111.18 1zzr n MET 614 Ca -0.03 -0.29 -0.20 0.00 -1.81 0.00 0.00 57.70 55.38 1zzr n MET 614 Cb 0.11 -1.49 0.08 0.00 -0.71 0.00 0.00 33.22 31.21 1zzr n MET 614 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1zzr n ASP 615 N -1.05 -4.08 -4.89 7.83 2.03 0.43 -5.00 116.55 111.82 1zzr n ASP 615 Ca 0.07 -0.57 -0.29 0.00 0.52 0.00 0.00 54.79 54.52 1zzr n ASP 615 Cb 0.36 -5.03 -0.02 0.00 -0.72 0.00 0.00 41.12 35.71 1zzr n ASP 615 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1zzr s LEU 616 N -6.75 3.83 -0.89 -2.67 1.43 -1.17 -5.00 118.68 107.46 1zzr s LEU 616 Ca 0.28 0.95 -0.25 0.00 -1.03 0.00 0.00 54.13 54.08 1zzr s LEU 616 Cb -0.12 -3.84 0.04 0.00 0.03 0.00 0.00 46.19 42.30 1zzr s LEU 616 CO 0.72 -0.40 1.37 -0.62 0.23 0.00 0.00 176.35 177.65 1zzr s ASP 617 N -3.46 6.35 -0.04 2.29 3.68 -1.26 -4.82 116.67 119.41 1zzr s ASP 617 Ca 0.48 -1.02 0.07 0.00 2.13 0.00 0.00 52.55 54.22 1zzr s ASP 617 Cb -0.10 -2.56 0.29 0.00 -1.45 0.00 0.00 42.92 39.09 1zzr s ASP 617 CO 0.35 -1.65 1.12 0.23 0.13 0.00 0.00 175.17 175.35 1zzr n MET 618 N 9.06 2.06 0.04 4.34 2.81 -1.26 -4.13 117.12 130.04 1zzr n MET 618 Ca 0.19 -1.14 -0.16 0.00 -1.81 0.00 0.00 57.70 54.78 1zzr n MET 618 Cb 0.50 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 31.46 1zzr n MET 618 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1zzr h ARG 619 N 1.65 0.58 -4.87 0.03 3.08 -2.04 -3.44 114.38 109.37 1zzr h ARG 619 Ca 0.00 -0.58 -0.60 0.00 0.07 0.00 0.00 59.98 58.87 1zzr h ARG 619 Cb 0.70 0.16 -0.34 0.00 0.08 0.00 0.00 29.97 30.57 1zzr h ARG 619 CO 0.09 1.20 -0.84 -1.59 -1.07 0.00 0.00 179.97 177.75 1zzr s LYS 620 N -3.39 2.37 0.48 0.04 -2.85 -1.26 -5.01 119.74 110.12 1zzr s LYS 620 Ca -0.08 -0.63 0.19 0.00 -1.00 0.00 0.00 55.97 54.45 1zzr s LYS 620 Cb 0.08 -1.94 1.20 0.00 -2.06 0.00 0.00 37.83 35.11 1zzr s LYS 620 CO 0.89 0.00 1.99 1.79 0.10 0.00 0.00 175.35 180.12 1zzr h THR 621 N 5.90 0.82 0.00 3.79 1.35 -1.90 -0.84 112.91 122.03 1zzr h THR 621 Ca -0.29 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1zzr h THR 621 Cb 1.19 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1zzr h THR 621 CO 0.49 0.04 0.00 -1.54 -0.25 0.00 0.00 175.52 174.26 1zzr n SER 622 N -4.44 0.00 0.08 5.36 3.41 -1.26 -0.88 113.62 115.89 1zzr n SER 622 Ca 0.09 0.10 0.13 0.00 -0.26 0.00 0.00 58.87 58.93 1zzr n SER 622 Cb 0.47 -0.25 0.42 0.00 -0.26 0.00 0.00 64.21 64.59 1zzr n SER 622 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1zzr n SER 623 N -1.25 0.65 -2.24 4.04 3.41 -0.32 -4.92 113.62 112.99 1zzr n SER 623 Ca 0.05 0.50 -0.19 0.00 -0.26 0.00 0.00 58.87 58.97 1zzr n SER 623 Cb 0.07 -0.63 -0.00 0.00 -0.26 0.00 0.00 64.21 63.38 1zzr n SER 623 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1zzr n LEU 624 N -2.10 -1.98 -0.20 1.04 4.77 -0.06 -4.91 117.00 113.56 1zzr n LEU 624 Ca 0.06 -0.06 -0.07 0.00 -0.03 0.00 0.00 56.01 55.91 1zzr n LEU 624 Cb 0.41 -2.71 0.03 0.00 -2.33 0.00 0.00 43.42 38.83 1zzr n LEU 624 CO 0.30 -0.13 1.05 4.11 -1.33 0.00 0.00 177.39 181.40 1zzr h TRP 625 N -0.21 0.80 -0.85 -1.77 5.08 -1.84 -1.36 115.95 115.81 1zzr h TRP 625 Ca -0.45 -0.02 0.11 0.00 1.08 0.00 0.00 58.89 59.60 1zzr h TRP 625 Cb 1.33 -0.26 -0.08 0.00 -3.00 0.00 0.00 29.16 27.16 1zzr h TRP 625 CO 0.50 0.58 0.48 0.87 -1.28 0.00 0.00 178.44 179.59 1zzr h LYS 626 N 0.79 0.76 -0.64 0.12 1.57 -1.91 0.34 116.57 117.60 1zzr h LYS 626 Ca 0.20 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1zzr h LYS 626 Cb 0.05 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1zzr h LYS 626 CO -0.03 0.50 0.05 -0.44 -0.57 0.00 0.00 179.45 178.96 1zzr h ASP 627 N 0.78 1.07 -0.03 0.86 5.19 -1.75 0.11 116.42 122.65 1zzr h ASP 627 Ca 0.42 -0.29 -0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1zzr h ASP 627 Cb 0.42 -0.29 -0.00 0.00 0.18 0.00 0.00 39.33 39.65 1zzr h ASP 627 CO -0.27 1.09 -0.00 1.56 -3.12 0.00 0.00 179.24 178.50 1zzr h GLN 628 N 1.01 0.05 -0.32 3.56 4.20 -0.47 -1.92 115.11 121.23 1zzr h GLN 628 Ca 0.19 -0.02 0.06 0.00 0.06 0.00 0.00 58.65 58.94 1zzr h GLN 628 Cb 0.51 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.23 1zzr h GLN 628 CO 0.02 0.37 -0.05 0.00 -0.67 0.00 0.00 178.83 178.50 1zzr h ALA 629 N 0.68 0.24 -0.38 3.87 0.00 -0.84 -2.25 119.26 120.58 1zzr h ALA 629 Ca 0.01 0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1zzr h ALA 629 Cb 0.35 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 1zzr h ALA 629 CO 0.00 -0.44 -0.30 1.25 0.00 0.00 0.00 179.25 179.75 1zzr h LEU 630 N 0.03 -1.01 -0.43 0.00 5.85 -0.63 -0.26 115.31 118.87 1zzr h LEU 630 Ca 0.15 0.18 0.08 0.00 0.84 0.00 0.00 57.88 59.13 1zzr h LEU 630 Cb 0.23 0.48 -0.07 0.00 0.37 0.00 0.00 40.66 41.67 1zzr h LEU 630 CO -0.30 -0.31 0.03 0.58 -0.34 0.00 0.00 178.44 178.10 1zzr h VAL 631 N -0.24 0.70 -0.17 1.05 2.07 -0.78 -2.14 116.25 116.75 1zzr h VAL 631 Ca 0.17 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1zzr h VAL 631 Cb 0.52 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1zzr h VAL 631 CO -0.52 0.03 0.11 -0.33 0.02 0.00 0.00 177.57 176.88 1zzr h GLU 632 N 0.15 0.22 -0.62 1.57 4.39 -0.80 -0.15 114.58 119.34 1zzr h GLU 632 Ca 0.21 -0.01 0.15 0.00 0.34 0.00 0.00 59.36 60.05 1zzr h GLU 632 Cb 0.30 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 1zzr h GLU 632 CO -0.33 0.15 0.43 0.82 -1.16 0.00 0.00 179.01 178.92 1zzr h ILE 633 N 0.22 0.77 0.00 3.13 2.04 -0.78 -0.71 117.51 122.18 1zzr h ILE 633 Ca 0.06 -0.06 -0.19 0.00 1.00 0.00 0.00 64.86 65.67 1zzr h ILE 633 Cb -0.02 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1zzr h ILE 633 CO -0.01 0.03 -1.08 0.78 0.00 0.00 0.00 178.15 177.87 1zzr h ASN 634 N 0.18 0.00 0.14 1.72 2.35 -0.70 -3.13 115.58 116.14 1zzr h ASN 634 Ca 0.30 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.92 1zzr h ASN 634 Cb 0.93 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.29 1zzr h ASN 634 CO -0.05 0.77 -0.46 0.40 -1.65 0.00 0.00 177.43 176.44 1zzr h ILE 635 N 0.00 1.32 -0.23 2.81 2.04 0.39 -3.01 117.51 120.83 1zzr h ILE 635 Ca -0.09 -1.66 -0.18 0.00 1.00 0.00 0.00 64.86 63.93 1zzr h ILE 635 Cb 1.67 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 39.46 1zzr h ILE 635 CO 0.08 0.51 -0.59 0.00 0.00 0.00 0.00 178.15 178.15 1zzr h ALA 636 N 1.20 0.52 0.90 1.87 0.00 -1.37 -1.78 119.26 120.60 1zzr h ALA 636 Ca 0.02 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 1zzr h ALA 636 Cb 0.93 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.66 1zzr h ALA 636 CO 0.08 0.69 -0.43 0.28 0.00 0.00 0.00 179.25 179.86 1zzr h VAL 637 N 0.57 0.01 -0.73 0.00 2.07 -1.54 0.27 116.25 116.91 1zzr h VAL 637 Ca 0.00 -0.11 0.12 0.00 0.82 0.00 0.00 66.70 67.54 1zzr h VAL 637 Cb 1.18 0.02 -0.09 0.00 -1.52 0.00 0.00 31.29 30.88 1zzr h VAL 637 CO 0.12 0.00 0.31 -0.07 0.02 0.00 0.00 177.57 177.95 1zzr h LEU 638 N -1.32 0.32 0.15 2.57 3.38 -1.59 -0.63 115.31 118.19 1zzr h LEU 638 Ca -0.12 0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1zzr h LEU 638 Cb 0.93 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.74 1zzr h LEU 638 CO 0.20 0.15 -0.07 0.22 0.09 0.00 0.00 178.44 179.03 1zzr h TYR 639 N 0.48 -0.19 -0.34 1.13 3.20 -1.18 -0.53 116.97 119.54 1zzr h TYR 639 Ca 0.39 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.30 1zzr h TYR 639 Cb 0.53 0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.82 1zzr h TYR 639 CO -0.15 -0.10 0.05 0.77 -1.64 0.00 0.00 178.16 177.09 1zzr h SER 640 N -0.22 -0.02 -0.18 -2.11 0.02 0.22 0.26 113.55 111.52 1zzr h SER 640 Ca -0.02 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1zzr h SER 640 Cb 0.17 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1zzr h SER 640 CO 0.03 0.03 0.06 -0.26 -1.14 0.00 0.00 176.83 175.55 1zzr h PHE 641 N 0.17 0.30 -0.83 3.45 -1.00 -1.06 -2.57 116.94 115.40 1zzr h PHE 641 Ca 0.16 -0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.87 1zzr h PHE 641 Cb 0.19 -0.09 -0.04 0.00 3.61 0.00 0.00 35.95 39.62 1zzr h PHE 641 CO -0.19 0.38 0.38 1.96 -1.61 0.00 0.00 178.31 179.23 1zzr h GLN 642 N 0.12 1.22 -0.83 1.51 4.20 -0.93 -0.52 115.11 119.88 1zzr h GLN 642 Ca 0.06 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.54 1zzr h GLN 642 Cb 0.23 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 27.76 1zzr h GLN 642 CO -0.00 0.95 0.37 0.77 -0.67 0.00 0.00 178.83 180.25 1zzr h SER 643 N 1.20 1.11 -0.17 1.46 0.02 -0.84 -1.43 113.55 114.89 1zzr h SER 643 Ca 0.28 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1zzr h SER 643 Cb 0.15 -0.29 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1zzr h SER 643 CO -0.03 0.96 0.00 0.47 -1.14 0.00 0.00 176.83 177.08 1zzr n ASP 644 N -4.29 0.98 -3.06 3.07 9.92 -0.98 -4.90 116.55 117.28 1zzr n ASP 644 Ca 0.08 -2.01 -0.23 0.00 -0.53 0.00 0.00 54.79 52.11 1zzr n ASP 644 Cb 0.16 -0.13 0.04 0.00 -0.64 0.00 0.00 41.12 40.55 1zzr n ASP 644 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1zzr n LYS 645 N 0.02 -5.09 -3.89 -1.24 3.00 -0.54 -5.00 118.16 105.42 1zzr n LYS 645 Ca 0.06 0.90 -0.36 0.00 -0.00 0.00 0.00 58.31 58.91 1zzr n LYS 645 Cb 0.16 -5.78 -0.07 0.00 0.00 0.00 0.00 35.03 29.33 1zzr n LYS 645 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1zzr s VAL 646 N -3.19 5.29 0.35 3.15 1.01 -0.23 -4.36 120.40 122.42 1zzr s VAL 646 Ca 0.32 0.13 -0.28 0.00 0.00 0.00 0.00 61.98 62.15 1zzr s VAL 646 Cb -0.14 -3.34 -0.11 0.00 0.00 0.00 0.00 36.38 32.79 1zzr s VAL 646 CO 0.40 0.55 1.42 -0.89 0.00 0.00 0.00 175.10 176.58 1zzr s THR 647 N -0.43 2.32 -0.14 3.92 2.01 0.32 -4.24 115.64 119.42 1zzr s THR 647 Ca 0.11 0.32 -0.30 0.00 0.31 0.00 0.00 61.69 62.13 1zzr s THR 647 Cb -0.12 -3.20 0.11 0.00 0.01 0.00 0.00 72.50 69.30 1zzr s THR 647 CO 0.02 0.07 0.88 -0.51 -0.69 0.00 0.00 174.62 174.39 1zzr s ILE 648 N -1.02 0.00 0.00 1.82 2.07 -1.26 -4.49 121.20 118.32 1zzr s ILE 648 Ca 0.52 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.82 1zzr s ILE 648 Cb -0.44 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.13 1zzr s ILE 648 CO 0.58 0.00 -0.19 0.54 -1.91 0.00 0.00 174.94 173.95 1zzr s VAL 649 N -0.99 1.55 0.44 4.00 0.11 -0.29 -4.97 120.40 120.25 1zzr s VAL 649 Ca -0.04 -0.92 -0.08 0.00 -2.93 0.00 0.00 61.98 58.01 1zzr s VAL 649 Cb -0.01 -1.30 -0.05 0.00 -1.53 0.00 0.00 36.38 33.49 1zzr s VAL 649 CO 0.04 0.37 0.77 1.51 -3.33 0.00 0.00 175.10 174.46 1zzr s ASP 650 N -0.64 6.39 0.53 3.54 -4.77 -1.26 0.86 116.67 121.32 1zzr s ASP 650 Ca 0.07 1.02 0.20 0.00 -3.30 0.00 0.00 52.55 50.54 1zzr s ASP 650 Cb -0.08 -2.28 1.38 0.00 -1.09 0.00 0.00 42.92 40.85 1zzr s ASP 650 CO -0.00 -0.48 2.14 1.12 0.70 0.00 0.00 175.17 178.65 1zzr h HIS 651 N 0.77 0.00 -0.09 2.11 2.07 -1.97 -0.19 115.15 117.85 1zzr h HIS 651 Ca -0.47 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.03 1zzr h HIS 651 Cb 1.20 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.17 1zzr h HIS 651 CO 0.60 0.00 -0.04 0.45 -3.07 0.00 0.00 177.93 175.86 1zzr h HIS 652 N 0.00 0.21 -0.46 6.12 3.86 -1.97 -1.92 115.15 121.00 1zzr h HIS 652 Ca 0.04 -0.05 -0.14 0.00 -1.16 0.00 0.00 60.37 59.06 1zzr h HIS 652 Cb 0.17 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1zzr h HIS 652 CO 0.00 0.54 -0.25 1.03 0.86 0.00 0.00 177.93 180.11 1zzr h SER 653 N -0.19 1.01 -0.43 2.45 0.87 -1.84 -2.14 113.55 113.28 1zzr h SER 653 Ca 0.02 -0.40 -0.04 0.00 -1.23 0.00 0.00 61.79 60.14 1zzr h SER 653 Cb 0.49 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.15 1zzr h SER 653 CO 0.01 1.19 0.10 0.00 -0.53 0.00 0.00 176.83 177.61 1zzr h ALA 654 N 0.87 0.57 -0.21 6.23 0.00 -1.07 -2.21 119.26 123.44 1zzr h ALA 654 Ca 0.10 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1zzr h ALA 654 Cb 0.83 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1zzr h ALA 654 CO 0.07 0.25 -0.48 1.79 0.00 0.00 0.00 179.25 180.88 1zzr h THR 655 N 0.56 1.31 -0.55 0.00 1.35 -1.32 -1.51 112.91 112.74 1zzr h THR 655 Ca 0.13 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 1zzr h THR 655 Cb 0.32 1.67 -0.03 0.00 -1.73 0.00 0.00 68.15 68.38 1zzr h THR 655 CO 0.00 0.53 0.36 -0.08 -0.25 0.00 0.00 175.52 176.08 1zzr h GLU 656 N 0.45 0.74 -0.46 4.72 4.81 -1.30 -1.91 114.58 121.63 1zzr h GLU 656 Ca 0.02 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 1zzr h GLU 656 Cb 1.00 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 1zzr h GLU 656 CO 0.09 0.50 -0.03 0.77 -0.73 0.00 0.00 179.01 179.62 1zzr h SER 657 N 0.75 0.75 -0.54 1.04 0.02 -1.17 -2.29 113.55 112.11 1zzr h SER 657 Ca 0.20 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1zzr h SER 657 Cb -0.06 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.25 1zzr h SER 657 CO -0.04 0.83 0.25 0.15 -1.14 0.00 0.00 176.83 176.88 1zzr h PHE 658 N 0.72 0.79 -0.51 3.45 3.57 -0.82 0.14 116.94 124.29 1zzr h PHE 658 Ca 0.14 -0.05 0.05 0.00 3.53 0.00 0.00 57.97 61.64 1zzr h PHE 658 Cb 0.48 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.93 1zzr h PHE 658 CO 0.02 0.63 0.25 0.82 -2.23 0.00 0.00 178.31 177.81 1zzr h ILE 659 N 0.73 0.95 -0.83 1.41 1.08 -1.09 0.33 117.51 120.09 1zzr h ILE 659 Ca 0.18 -0.17 -0.01 0.00 -0.39 0.00 0.00 64.86 64.48 1zzr h ILE 659 Cb 0.15 0.42 -0.04 0.00 -3.07 0.00 0.00 36.82 34.27 1zzr h ILE 659 CO -0.02 0.09 0.50 0.50 -0.69 0.00 0.00 178.15 178.53 1zzr h LYS 660 N 0.49 1.13 -0.39 2.37 3.64 -0.97 -1.70 116.57 121.15 1zzr h LYS 660 Ca 0.22 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1zzr h LYS 660 Cb 0.14 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 1zzr h LYS 660 CO -0.16 0.80 0.13 1.25 -2.27 0.00 0.00 179.45 179.20 1zzr h HIS 661 N 1.14 0.62 -0.39 1.91 2.76 0.27 -2.18 115.15 119.28 1zzr h HIS 661 Ca 0.30 -0.06 0.05 0.00 -2.20 0.00 0.00 60.37 58.46 1zzr h HIS 661 Cb -0.04 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 28.69 1zzr h HIS 661 CO -0.00 0.58 0.12 1.98 -1.30 0.00 0.00 177.93 179.31 1zzr h MET 662 N 0.49 0.26 -0.55 5.26 4.05 0.05 0.38 114.93 124.87 1zzr h MET 662 Ca 0.13 -0.02 0.01 0.00 -0.28 0.00 0.00 59.70 59.54 1zzr h MET 662 Cb 0.24 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 30.96 1zzr h MET 662 CO -0.01 0.17 0.36 0.93 0.23 0.00 0.00 176.91 178.60 1zzr h GLU 663 N 0.27 0.72 -0.44 0.39 5.08 -1.18 0.14 114.58 119.56 1zzr h GLU 663 Ca 0.18 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 1zzr h GLU 663 Cb 0.18 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1zzr h GLU 663 CO -0.20 0.48 0.23 -0.91 -1.00 0.00 0.00 179.01 177.60 1zzr h ASN 664 N 0.74 0.57 -0.82 1.42 2.35 -0.74 -2.59 115.58 116.52 1zzr h ASN 664 Ca 0.20 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1zzr h ASN 664 Cb -0.09 -0.15 -0.04 0.00 0.05 0.00 0.00 38.32 38.10 1zzr h ASN 664 CO -0.04 0.52 0.42 -0.33 -1.65 0.00 0.00 177.43 176.34 1zzr h GLU 665 N 0.58 1.17 -0.73 0.81 4.39 -0.47 -0.66 114.58 119.66 1zzr h GLU 665 Ca 0.15 -0.15 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1zzr h GLU 665 Cb 0.09 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.49 1zzr h GLU 665 CO -0.02 0.88 0.26 1.88 -1.16 0.00 0.00 179.01 180.85 1zzr h TYR 666 N 1.16 1.14 0.00 4.33 -1.99 -0.48 0.67 116.97 121.81 1zzr h TYR 666 Ca 0.29 -0.10 0.00 0.00 2.00 0.00 0.00 58.73 60.92 1zzr h TYR 666 Cb 0.08 -0.34 0.00 0.00 2.00 0.00 0.00 36.73 38.47 1zzr h TYR 666 CO 0.01 0.89 -0.53 2.89 -0.00 0.00 0.00 178.16 181.42 1zzr n ARG 667 N -4.31 0.26 -0.00 4.88 1.85 -1.00 -1.64 116.66 116.69 1zzr n ARG 667 Ca 0.06 0.09 0.05 0.00 -1.00 0.00 0.00 57.85 57.05 1zzr n ARG 667 Cb 0.20 -1.68 -0.08 0.00 -1.05 0.00 0.00 32.46 29.85 1zzr n ARG 667 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1zzr n ARG 669 N -1.60 1.57 -0.93 0.00 0.63 0.17 -5.02 116.66 111.47 1zzr n ARG 669 Ca -0.00 -0.08 0.00 0.00 -0.92 0.00 0.00 57.85 56.85 1zzr n ARG 669 Cb 0.24 -0.40 0.00 0.00 0.45 0.00 0.00 32.46 32.75 1zzr n ARG 669 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1zzr n GLY 670 N 0.25 0.50 0.00 5.14 0.00 -0.65 -4.50 105.19 105.93 1zzr n GLY 670 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1zzr n GLY 670 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1zzr n GLY 671 N -2.93 -2.27 3.15 -0.02 0.00 -1.02 -1.00 105.19 101.09 1zzr n GLY 671 Ca 0.00 -1.41 0.04 0.00 0.00 0.00 0.00 46.02 44.65 1zzr n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1zzr n PRO 673 N 5.37 2.06 -3.75 0.00 -0.04 -1.26 -4.65 135.00 132.73 1zzr n PRO 673 Ca 0.06 0.74 -0.12 0.00 -0.04 0.00 0.00 63.50 64.13 1zzr n PRO 673 Cb 0.54 -2.44 -0.11 0.00 -0.04 0.00 0.00 33.50 31.45 1zzr n PRO 673 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zzr s ALA 674 N 0.33 -0.73 -0.55 0.55 0.00 0.22 -4.29 121.76 117.29 1zzr s ALA 674 Ca 0.73 0.96 -0.12 0.00 0.00 0.00 0.00 51.96 53.52 1zzr s ALA 674 Cb -0.67 -0.57 0.14 0.00 0.00 0.00 0.00 23.12 22.02 1zzr s ALA 674 CO 0.45 -0.17 0.46 0.34 0.00 0.00 0.00 175.76 176.85 1zzr s ASP 675 N 0.54 6.00 0.27 0.00 3.68 0.75 -3.42 116.67 124.49 1zzr s ASP 675 Ca -0.03 -2.01 -0.00 0.00 2.13 0.00 0.00 52.55 52.63 1zzr s ASP 675 Cb -0.05 -2.11 0.57 0.00 -1.45 0.00 0.00 42.92 39.88 1zzr s ASP 675 CO -0.03 -0.73 1.74 -0.25 0.13 0.00 0.00 175.17 176.03 1zzr h TRP 676 N 8.47 0.69 -0.73 -5.34 7.01 -1.91 0.17 115.95 124.30 1zzr h TRP 676 Ca -0.20 0.04 0.10 0.00 2.11 0.00 0.00 58.89 60.94 1zzr h TRP 676 Cb 1.07 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.91 1zzr h TRP 676 CO 0.73 0.10 0.48 0.28 -2.79 0.00 0.00 178.44 177.24 1zzr h VAL 677 N 0.53 0.92 0.00 2.65 2.07 -1.93 -2.25 116.25 118.25 1zzr h VAL 677 Ca 0.48 -0.21 -0.32 0.00 0.82 0.00 0.00 66.70 67.47 1zzr h VAL 677 Cb 0.75 0.26 -0.06 0.00 -1.52 0.00 0.00 31.29 30.72 1zzr h VAL 677 CO -0.41 0.11 -1.97 0.79 0.02 0.00 0.00 177.57 176.11 1zzr n TRP 678 N -4.49 0.64 -0.14 1.57 7.02 -0.39 -4.44 117.44 117.20 1zzr n TRP 678 Ca 0.12 0.23 -0.12 0.00 -1.02 0.00 0.00 57.50 56.71 1zzr n TRP 678 Cb 0.36 -1.12 0.00 0.00 -2.42 0.00 0.00 31.31 28.13 1zzr n TRP 678 CO 0.00 0.00 0.00 0.82 -2.02 0.00 0.00 177.69 176.49 1zzr h ILE 679 N 0.00 1.27 -2.79 -0.99 1.08 -0.46 -3.42 117.51 112.20 1zzr h ILE 679 Ca -0.39 -1.45 -0.55 0.00 -0.39 0.00 0.00 64.86 62.09 1zzr h ILE 679 Cb 2.10 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 37.06 1zzr h ILE 679 CO 0.06 0.49 0.94 -0.69 -0.69 0.00 0.00 178.15 178.26 1zzr s VAL 680 N -4.57 3.66 0.60 1.67 1.01 -0.87 -4.93 120.40 116.98 1zzr s VAL 680 Ca -0.11 0.96 -0.18 0.00 0.00 0.00 0.00 61.98 62.65 1zzr s VAL 680 Cb 0.12 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 1zzr s VAL 680 CO 0.87 -0.04 0.94 -2.65 0.00 0.00 0.00 175.10 174.22 1zzr n PRO 681 N 6.11 0.86 0.00 2.72 -0.02 -1.26 -4.90 135.00 138.50 1zzr n PRO 681 Ca 0.15 0.34 0.05 0.00 -2.02 0.00 0.00 63.50 62.01 1zzr n PRO 681 Cb 0.43 -2.14 0.29 0.00 -0.02 0.00 0.00 33.50 32.06 1zzr n PRO 681 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1zzr n PRO 682 N -1.00 0.62 -3.87 0.52 -0.04 -1.26 -4.34 135.00 125.63 1zzr n PRO 682 Ca 0.14 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.50 1zzr n PRO 682 Cb 0.47 -1.25 -0.08 0.00 -0.04 0.00 0.00 33.50 32.60 1zzr n PRO 682 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1zzr s MET 683 N -2.00 0.69 -0.87 0.54 0.23 -1.26 -4.91 119.30 111.72 1zzr s MET 683 Ca 0.15 -0.73 -0.05 0.00 -1.03 0.00 0.00 55.69 54.03 1zzr s MET 683 Cb 0.07 0.28 0.04 0.00 -1.53 0.00 0.00 34.83 33.69 1zzr s MET 683 CO 0.11 -0.20 0.19 0.43 -2.03 0.00 0.00 175.02 173.53 1zzr n SER 684 N 0.57 -2.85 -0.17 -1.18 7.64 -1.26 -4.87 113.62 111.50 1zzr n SER 684 Ca -0.18 0.01 -0.05 0.00 1.01 0.00 0.00 58.87 59.66 1zzr n SER 684 Cb 0.59 -2.44 -0.04 0.00 -1.01 0.00 0.00 64.21 61.31 1zzr n SER 684 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1zzr n GLY 685 N -0.84 -2.23 0.00 0.23 0.00 -1.26 -1.39 105.19 99.70 1zzr n GLY 685 Ca -0.04 0.71 0.06 0.00 0.00 0.00 0.00 46.02 46.74 1zzr n GLY 685 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1zzr n SER 686 N -3.93 0.02 -0.38 1.61 3.41 -1.26 -1.44 113.62 111.66 1zzr n SER 686 Ca 0.01 0.51 0.14 0.00 -0.26 0.00 0.00 58.87 59.26 1zzr n SER 686 Cb 0.11 -0.51 0.52 0.00 -0.26 0.00 0.00 64.21 64.06 1zzr n SER 686 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 1zzr n ILE 687 N -1.53 0.00 -3.91 -1.33 -5.35 -0.49 -4.80 119.36 101.95 1zzr n ILE 687 Ca 0.03 -0.20 -0.32 0.00 -0.27 0.00 0.00 62.75 61.99 1zzr n ILE 687 Cb 0.14 0.39 -0.04 0.00 -1.74 0.00 0.00 39.64 38.39 1zzr n ILE 687 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1zzr s THR 688 N -2.15 5.41 0.43 7.28 -4.23 -0.52 -5.02 115.64 116.84 1zzr s THR 688 Ca 0.35 -0.31 0.22 0.00 -1.18 0.00 0.00 61.69 60.77 1zzr s THR 688 Cb 0.21 -3.60 0.24 0.00 1.34 0.00 0.00 72.50 70.69 1zzr s THR 688 CO 0.39 0.20 2.04 1.55 -0.54 0.00 0.00 174.62 178.26 1zzr h PRO 689 N 3.33 0.00 0.00 3.99 0.13 -1.87 -2.93 132.00 134.65 1zzr h PRO 689 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1zzr h PRO 689 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1zzr h PRO 689 CO 0.74 0.15 -0.07 -0.39 -0.23 0.00 0.00 178.00 178.20 1zzr h VAL 690 N 0.00 0.34 -0.90 1.56 -1.51 -1.88 -2.53 116.25 111.34 1zzr h VAL 690 Ca -0.00 -0.40 0.02 0.00 -1.23 0.00 0.00 66.70 65.09 1zzr h VAL 690 Cb 0.33 1.29 -0.05 0.00 -2.13 0.00 0.00 31.29 30.73 1zzr h VAL 690 CO 0.02 0.07 0.59 0.15 -1.23 0.00 0.00 177.57 177.16 1zzr h PHE 691 N 0.00 1.11 -0.05 5.19 3.57 -1.70 -2.27 116.94 122.79 1zzr h PHE 691 Ca -0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1zzr h PHE 691 Cb 0.28 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.65 1zzr h PHE 691 CO 0.00 0.66 0.00 0.72 -2.23 0.00 0.00 178.31 177.46 1zzr n HIS 692 N -4.49 0.05 -3.35 0.41 8.25 -0.96 -4.84 115.22 110.29 1zzr n HIS 692 Ca 0.11 -0.03 -0.41 0.00 -0.26 0.00 0.00 57.72 57.13 1zzr n HIS 692 Cb 0.05 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.08 1zzr n HIS 692 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 1zzr s GLN 693 N -1.95 3.55 0.46 -0.41 2.00 -0.85 -0.90 119.66 121.55 1zzr s GLN 693 Ca 0.37 -0.37 -0.24 0.00 -2.00 0.00 0.00 55.36 53.12 1zzr s GLN 693 Cb 0.19 -3.82 -0.07 0.00 0.80 0.00 0.00 33.01 30.11 1zzr s GLN 693 CO 0.31 -0.58 1.30 -1.21 -0.50 0.00 0.00 175.29 174.62 1zzr s GLU 694 N 2.13 3.69 0.04 1.67 2.02 -0.62 -5.01 118.70 122.62 1zzr s GLU 694 Ca 0.14 2.13 0.02 0.00 0.02 0.00 0.00 54.97 57.28 1zzr s GLU 694 Cb -0.16 -2.56 -0.02 0.00 0.10 0.00 0.00 34.13 31.49 1zzr s GLU 694 CO 0.12 -0.71 -0.06 -1.64 0.02 0.00 0.00 175.26 172.98 1zzr s MET 695 N -2.52 0.49 -0.13 1.61 -1.94 -1.26 -4.72 119.30 110.83 1zzr s MET 695 Ca 0.62 -0.75 -0.01 0.00 -1.71 0.00 0.00 55.69 53.84 1zzr s MET 695 Cb -0.37 -0.18 -0.02 0.00 2.01 0.00 0.00 34.83 36.27 1zzr s MET 695 CO 0.47 0.02 -0.10 -0.51 -0.01 0.00 0.00 175.02 174.88 1zzr s LEU 696 N -1.63 2.88 -0.16 -0.03 1.43 -1.26 -4.92 118.68 114.99 1zzr s LEU 696 Ca -0.10 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 52.70 1zzr s LEU 696 Cb -0.09 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 1zzr s LEU 696 CO -0.00 0.18 -0.02 0.21 0.23 0.00 0.00 176.35 176.94 1zzr s ASN 697 N 0.29 4.88 0.16 2.29 3.04 -1.22 -0.61 114.94 123.77 1zzr s ASN 697 Ca -0.08 -0.11 -0.22 0.00 0.04 0.00 0.00 52.86 52.48 1zzr s ASN 697 Cb -0.15 -1.80 0.07 0.00 -1.54 0.00 0.00 41.25 37.82 1zzr s ASN 697 CO 0.05 0.16 0.58 -0.72 -3.04 0.00 0.00 177.10 174.13 1zzr s TYR 698 N 0.42 -0.50 -0.30 0.43 -0.85 -1.26 -4.96 117.35 110.33 1zzr s TYR 698 Ca -0.03 0.27 -0.11 0.00 -0.52 0.00 0.00 57.07 56.69 1zzr s TYR 698 Cb -0.14 0.54 -0.03 0.00 0.38 0.00 0.00 41.96 42.70 1zzr s TYR 698 CO 0.03 -0.85 0.19 1.03 -1.52 0.00 0.00 175.55 174.43 1zzr s ARG 699 N -3.76 3.73 0.16 -3.49 0.52 -1.26 -4.82 118.95 110.02 1zzr s ARG 699 Ca 0.01 -0.47 0.08 0.00 -0.52 0.00 0.00 55.73 54.83 1zzr s ARG 699 Cb -0.01 -3.66 -0.04 0.00 0.52 0.00 0.00 34.95 31.76 1zzr s ARG 699 CO -0.12 -0.28 -0.06 -0.51 0.02 0.00 0.00 175.30 174.34 1zzr s LEU 700 N 1.72 3.12 0.12 2.53 1.43 -1.26 -2.77 118.68 123.57 1zzr s LEU 700 Ca 0.06 -0.46 0.10 0.00 -1.03 0.00 0.00 54.13 52.81 1zzr s LEU 700 Cb -0.16 -1.82 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 1zzr s LEU 700 CO 0.10 0.12 -0.25 0.28 0.23 0.00 0.00 176.35 176.82 1zzr s THR 701 N -1.59 2.10 0.83 5.49 -1.32 -1.26 -4.15 115.64 115.75 1zzr s THR 701 Ca 0.25 -1.68 -0.13 0.00 -1.21 0.00 0.00 61.69 58.92 1zzr s THR 701 Cb -0.10 -1.87 0.06 0.00 -1.51 0.00 0.00 72.50 69.09 1zzr s THR 701 CO 0.16 0.07 0.94 -2.65 -2.21 0.00 0.00 174.62 170.93 1zzr n PRO 702 N 1.02 0.05 -3.81 7.08 -0.02 -1.26 -5.02 135.00 133.05 1zzr n PRO 702 Ca -0.18 0.09 -0.09 0.00 -2.02 0.00 0.00 63.50 61.29 1zzr n PRO 702 Cb 0.53 -2.22 -0.05 0.00 -0.02 0.00 0.00 33.50 31.74 1zzr n PRO 702 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1zzr s SER 703 N -2.04 -0.18 -0.17 2.55 1.04 -1.09 -3.91 113.70 109.90 1zzr s SER 703 Ca 0.68 -0.60 -0.06 0.00 0.48 0.00 0.00 55.95 56.46 1zzr s SER 703 Cb -0.28 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.35 1zzr s SER 703 CO 0.56 -1.03 0.03 -0.36 0.98 0.00 0.00 173.24 173.42 1zzr s PHE 704 N -3.90 3.17 0.19 5.02 0.40 -1.26 -1.61 117.98 119.99 1zzr s PHE 704 Ca 0.12 -0.06 0.07 0.00 -0.60 0.00 0.00 56.93 56.46 1zzr s PHE 704 Cb -0.00 -2.04 -0.05 0.00 0.51 0.00 0.00 43.02 41.44 1zzr s PHE 704 CO -0.01 0.08 -0.14 -1.21 0.70 0.00 0.00 175.22 174.64 1zzr s GLU 705 N 0.39 1.27 0.60 0.44 0.41 0.06 -4.94 118.70 116.92 1zzr s GLU 705 Ca 0.01 -1.54 -0.13 0.00 -0.41 0.00 0.00 54.97 52.89 1zzr s GLU 705 Cb -0.13 -1.03 -0.04 0.00 -1.78 0.00 0.00 34.13 31.14 1zzr s GLU 705 CO 0.01 0.17 1.02 0.71 -0.49 0.00 0.00 175.26 176.68 1zzr s TYR 706 N -2.96 3.46 0.00 1.61 4.12 -1.26 -0.95 117.35 121.37 1zzr s TYR 706 Ca 0.21 1.38 -0.14 0.00 0.02 0.00 0.00 57.07 58.53 1zzr s TYR 706 Cb -0.01 -2.79 0.02 0.00 -1.52 0.00 0.00 41.96 37.67 1zzr s TYR 706 CO 0.06 -0.70 0.31 1.14 0.02 0.00 0.00 175.55 176.37 1zzr s GLN 707 N -4.74 0.70 0.46 -0.62 -2.07 -1.26 -4.76 119.66 107.37 1zzr s GLN 707 Ca 0.57 -0.28 -0.24 0.00 -1.82 0.00 0.00 55.36 53.59 1zzr s GLN 707 Cb -0.11 0.31 -0.09 0.00 -1.09 0.00 0.00 33.01 32.03 1zzr s GLN 707 CO 0.46 -0.20 1.26 -2.30 -1.32 0.00 0.00 175.29 173.19 1zzr n PRO 708 N 1.09 1.82 -1.77 9.60 -0.02 -1.26 -4.92 135.00 139.53 1zzr n PRO 708 Ca -0.21 0.65 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 1zzr n PRO 708 Cb 0.57 -2.40 -0.01 0.00 -0.02 0.00 0.00 33.50 31.64 1zzr n PRO 708 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1zzr s ASP 709 N -0.65 6.33 0.23 2.55 1.01 -1.26 -4.90 116.67 119.99 1zzr s ASP 709 Ca 0.64 3.03 -0.08 0.00 0.71 0.00 0.00 52.55 56.85 1zzr s ASP 709 Cb -0.48 -2.65 0.25 0.00 1.01 0.00 0.00 42.92 41.04 1zzr s ASP 709 CO 0.56 -0.91 1.88 1.55 0.21 0.00 0.00 175.17 178.46 1zzr h PRO 710 N 3.79 1.03 0.00 8.23 0.13 -1.93 -2.37 132.00 140.88 1zzr h PRO 710 Ca -0.49 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 1zzr h PRO 710 Cb 1.23 -0.23 0.00 0.00 0.13 0.00 0.00 31.00 32.13 1zzr h PRO 710 CO 0.71 0.68 0.00 -2.67 -0.23 0.00 0.00 178.00 176.49 1zzr n TRP 711 N -4.55 0.35 -0.94 1.56 2.14 -1.26 -0.23 117.44 114.50 1zzr n TRP 711 Ca 0.10 0.18 0.08 0.00 2.07 0.00 0.00 57.50 59.93 1zzr n TRP 711 Cb 0.08 -0.78 0.32 0.00 -0.81 0.00 0.00 31.31 30.11 1zzr n TRP 711 CO 0.00 0.00 0.00 0.09 2.07 0.00 0.00 177.69 179.85 1zzr n ASN 712 N -1.85 4.60 0.00 -0.67 3.02 -0.89 -4.46 115.26 115.01 1zzr n ASN 712 Ca -0.00 -2.96 0.00 0.00 -0.03 0.00 0.00 54.58 51.59 1zzr n ASN 712 Cb 0.03 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 1zzr n ASN 712 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1zzr n THR 713 N -0.03 0.00 -2.34 3.41 -1.04 0.35 -4.98 114.28 109.66 1zzr n THR 713 Ca 0.24 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.83 1zzr n THR 713 Cb 1.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.48 1zzr n THR 713 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1zzr s HIS 714 N -0.03 3.31 -0.95 -1.42 5.04 0.68 -4.99 115.29 116.93 1zzr s HIS 714 Ca 0.00 1.15 -0.14 0.00 -1.54 0.00 0.00 55.06 54.53 1zzr s HIS 714 Cb 0.00 -3.52 0.21 0.00 0.04 0.00 0.00 32.58 29.31 1zzr s HIS 714 CO 0.00 -1.70 0.98 0.14 -2.34 0.00 0.00 174.74 171.82 1zzr s VAL 715 N 1.30 5.47 -1.03 0.89 -7.23 -1.26 -5.00 120.40 113.54 1zzr s VAL 715 Ca 0.61 -2.53 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 1zzr s VAL 715 Cb -0.31 -4.61 0.00 0.00 0.56 0.00 0.00 36.38 32.02 1zzr s VAL 715 CO 0.29 -1.22 0.26 0.79 -0.31 0.00 0.00 175.10 174.90