#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk0 s ILE 293 N 0.00 3.59 -1.09 5.15 -4.36 -1.26 -5.06 121.20 118.17 1pk0 s ILE 293 Ca 0.00 -1.82 -0.13 0.00 -0.26 0.00 0.00 60.65 58.44 1pk0 s ILE 293 Cb 0.00 -2.92 0.21 0.00 1.25 0.00 0.00 42.46 41.00 1pk0 s ILE 293 CO 0.00 -0.36 1.19 -0.62 0.24 0.00 0.00 174.94 175.40 1pk0 s ASP 294 N -3.65 7.06 0.02 4.36 2.15 -1.26 -5.00 116.67 120.34 1pk0 s ASP 294 Ca 0.31 -3.03 0.08 0.00 0.43 0.00 0.00 52.55 50.35 1pk0 s ASP 294 Cb -0.07 -2.31 -0.02 0.00 -0.30 0.00 0.00 42.92 40.22 1pk0 s ASP 294 CO 0.20 -0.61 -0.24 0.54 -0.17 0.00 0.00 175.17 174.89 1pk0 s VAL 295 N 0.58 1.90 0.69 1.11 0.11 -1.26 -4.31 120.40 119.22 1pk0 s VAL 295 Ca 0.34 -1.18 -0.13 0.00 -2.93 0.00 0.00 61.98 58.08 1pk0 s VAL 295 Cb -0.06 -1.61 0.02 0.00 -1.53 0.00 0.00 36.38 33.19 1pk0 s VAL 295 CO -0.05 0.40 1.10 -0.76 -3.33 0.00 0.00 175.10 172.45 1pk0 s LEU 296 N -0.92 3.27 0.05 2.54 1.43 -0.99 -4.80 118.68 119.25 1pk0 s LEU 296 Ca 0.10 1.90 0.02 0.00 -1.03 0.00 0.00 54.13 55.11 1pk0 s LEU 296 Cb -0.09 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.56 1pk0 s LEU 296 CO 0.01 -1.71 -0.07 -0.54 0.23 0.00 0.00 176.35 174.28 1pk0 s LYS 297 N -4.42 0.54 0.64 1.70 1.02 -1.26 -1.04 119.74 116.91 1pk0 s LYS 297 Ca 0.64 -0.83 0.00 0.00 0.02 0.00 0.00 55.97 55.80 1pk0 s LYS 297 Cb -0.19 -0.18 0.00 0.00 -0.52 0.00 0.00 37.83 36.94 1pk0 s LYS 297 CO 0.47 0.01 0.00 0.41 -0.92 0.00 0.00 175.35 175.32 1pk0 n GLY 298 N 1.21 0.48 0.00 -3.33 0.00 -0.17 -3.44 105.19 99.93 1pk0 n GLY 298 Ca -0.21 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.03 1pk0 n GLY 298 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1pk0 n GLU 299 N -0.07 0.00 -0.22 1.61 4.07 -1.26 0.26 120.64 125.03 1pk0 n GLU 299 Ca 0.00 0.00 -0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1pk0 n GLU 299 Cb 0.00 0.00 0.11 0.00 -0.06 0.00 0.00 31.44 31.49 1pk0 n GLU 299 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 1pk0 h LYS 300 N 0.00 0.51 -0.08 5.31 1.57 -1.98 0.59 116.57 122.49 1pk0 h LYS 300 Ca 0.00 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1pk0 h LYS 300 Cb 0.00 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 1pk0 h LYS 300 CO 0.00 0.34 -0.05 0.00 -0.57 0.00 0.00 179.45 179.17 1pk0 h ALA 301 N 1.40 0.11 -0.94 3.86 0.00 0.35 -2.89 119.26 121.15 1pk0 h ALA 301 Ca 0.32 -0.26 0.15 0.00 0.00 0.00 0.00 54.91 55.12 1pk0 h ALA 301 Cb 0.33 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.01 1pk0 h ALA 301 CO -0.26 -0.12 0.60 1.25 0.00 0.00 0.00 179.25 180.72 1pk0 h LEU 302 N -0.23 0.72 -0.77 0.00 5.85 -1.07 0.13 115.31 119.94 1pk0 h LEU 302 Ca 0.02 0.05 0.07 0.00 0.84 0.00 0.00 57.88 58.86 1pk0 h LEU 302 Cb 0.52 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.40 1pk0 h LEU 302 CO 0.01 0.34 0.44 0.50 -0.34 0.00 0.00 178.44 179.40 1pk0 h LYS 303 N 0.75 0.77 0.00 1.25 3.64 -0.69 -2.19 116.57 120.10 1pk0 h LYS 303 Ca 0.49 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1pk0 h LYS 303 Cb 0.75 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1pk0 h LYS 303 CO -0.25 0.51 -0.36 0.00 -2.27 0.00 0.00 179.45 177.08 1pk0 h ALA 304 N 1.40 0.78 -0.37 5.00 0.00 -0.70 -3.33 119.26 122.03 1pk0 h ALA 304 Ca 0.35 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.17 1pk0 h ALA 304 Cb 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1pk0 h ALA 304 CO -0.20 0.00 -0.15 0.66 0.00 0.00 0.00 179.25 179.56 1pk0 h SER 305 N 0.00 0.67 0.00 0.00 4.64 -0.21 -3.45 113.55 115.20 1pk0 h SER 305 Ca 0.00 -0.20 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 1pk0 h SER 305 Cb 0.82 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1pk0 h SER 305 CO 0.00 0.83 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 1pk0 n GLY 306 N -0.44 1.75 3.79 -0.77 0.00 -1.21 -2.57 105.19 105.74 1pk0 n GLY 306 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 1pk0 n GLY 306 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pk0 s LEU 307 N 0.00 3.34 -0.10 0.99 1.02 -1.26 -4.46 118.68 118.21 1pk0 s LEU 307 Ca 0.00 1.84 -0.30 0.00 0.02 0.00 0.00 54.13 55.70 1pk0 s LEU 307 Cb 0.00 -4.53 -0.03 0.00 0.02 0.00 0.00 46.19 41.65 1pk0 s LEU 307 CO 0.00 -1.47 1.29 -0.69 0.02 0.00 0.00 176.35 175.49 1pk0 s VAL 308 N -2.57 4.15 0.10 -1.59 1.01 -1.26 -4.89 120.40 115.36 1pk0 s VAL 308 Ca 0.63 1.44 -0.20 0.00 0.00 0.00 0.00 61.98 63.86 1pk0 s VAL 308 Cb -0.17 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1pk0 s VAL 308 CO 0.44 -0.07 1.15 -2.65 0.00 0.00 0.00 175.10 173.97 1pk0 n PRO 309 N 6.05 -0.28 -0.26 2.72 -0.02 -1.26 0.15 135.00 142.09 1pk0 n PRO 309 Ca 0.13 1.13 0.06 0.00 -2.02 0.00 0.00 63.50 62.81 1pk0 n PRO 309 Cb 0.45 -1.67 0.18 0.00 -0.02 0.00 0.00 33.50 32.44 1pk0 n PRO 309 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1pk0 h GLU 310 N 0.00 0.13 -0.70 -0.52 3.07 -1.99 0.13 114.58 114.70 1pk0 h GLU 310 Ca 0.10 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.96 1pk0 h GLU 310 Cb 0.26 -0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 28.11 1pk0 h GLU 310 CO -0.60 0.09 0.46 0.45 -1.40 0.00 0.00 179.01 178.00 1pk0 h HIS 311 N 0.13 0.89 0.23 4.33 3.86 -0.67 0.11 115.15 124.03 1pk0 h HIS 311 Ca 0.44 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.65 1pk0 h HIS 311 Cb 0.79 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1pk0 h HIS 311 CO -0.38 0.57 -0.11 0.00 0.86 0.00 0.00 177.93 178.87 1pk0 h ALA 312 N 1.25 -0.30 -0.52 2.45 0.00 0.44 -0.68 119.26 121.90 1pk0 h ALA 312 Ca 0.26 -0.14 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1pk0 h ALA 312 Cb -0.09 0.12 -0.09 0.00 0.00 0.00 0.00 17.79 17.73 1pk0 h ALA 312 CO -0.05 -0.57 -0.01 -0.44 0.00 0.00 0.00 179.25 178.17 1pk0 h ASP 313 N -0.50 -0.25 -0.45 0.00 3.45 -0.69 0.66 116.42 118.64 1pk0 h ASP 313 Ca -0.03 0.13 0.12 0.00 0.43 0.00 0.00 57.03 57.67 1pk0 h ASP 313 Cb 0.37 0.23 -0.02 0.00 -0.56 0.00 0.00 39.33 39.35 1pk0 h ASP 313 CO 0.05 -0.09 0.32 0.00 -1.57 0.00 0.00 179.24 177.95 1pk0 h ALA 314 N 1.47 2.33 -0.05 3.45 0.00 -0.48 -1.47 119.26 124.51 1pk0 h ALA 314 Ca 0.26 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 1pk0 h ALA 314 Cb 0.40 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1pk0 h ALA 314 CO -0.44 -0.46 -0.74 0.74 0.00 0.00 0.00 179.25 178.35 1pk0 h PHE 315 N 0.07 0.44 -0.75 0.00 0.05 0.19 -3.12 116.94 113.82 1pk0 h PHE 315 Ca 0.22 -0.20 0.17 0.00 3.82 0.00 0.00 57.97 61.97 1pk0 h PHE 315 Cb 0.76 -0.07 -0.11 0.00 2.00 0.00 0.00 35.95 38.53 1pk0 h PHE 315 CO -0.00 0.95 0.19 0.87 -0.18 0.00 0.00 178.31 180.14 1pk0 h LYS 316 N 0.22 0.26 -0.39 1.51 1.57 -0.46 -0.34 116.57 118.94 1pk0 h LYS 316 Ca -0.03 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1pk0 h LYS 316 Cb 1.32 -0.06 -0.09 0.00 0.08 0.00 0.00 32.23 33.48 1pk0 h LYS 316 CO 0.12 0.17 -0.40 -0.22 -0.57 0.00 0.00 179.45 178.56 1pk0 h LYS 317 N 0.27 -0.31 -0.29 3.15 1.63 -1.59 -0.76 116.57 118.67 1pk0 h LYS 317 Ca 0.43 0.02 -0.10 0.00 -0.85 0.00 0.00 60.65 60.15 1pk0 h LYS 317 Cb 0.75 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 1pk0 h LYS 317 CO -0.52 -0.20 -0.24 0.82 -3.45 0.00 0.00 179.45 175.86 1pk0 h ILE 318 N -0.32 1.27 -0.46 2.00 5.03 -1.24 -0.34 117.51 123.45 1pk0 h ILE 318 Ca 0.14 -1.28 -0.01 0.00 -0.12 0.00 0.00 64.86 63.60 1pk0 h ILE 318 Cb 0.58 1.30 -0.02 0.00 -3.03 0.00 0.00 36.82 35.65 1pk0 h ILE 318 CO -0.55 0.41 0.27 0.00 -0.68 0.00 0.00 178.15 177.59 1pk0 h ALA 319 N 1.25 0.59 0.46 1.87 0.00 -0.56 -1.73 119.26 121.14 1pk0 h ALA 319 Ca 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1pk0 h ALA 319 Cb 0.68 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1pk0 h ALA 319 CO 0.05 0.10 -0.22 -0.09 0.00 0.00 0.00 179.25 179.09 1pk0 h ARG 320 N 0.61 -0.60 -0.76 0.00 2.43 -0.98 -1.25 114.38 113.84 1pk0 h ARG 320 Ca 0.16 0.04 0.17 0.00 -0.81 0.00 0.00 59.98 59.55 1pk0 h ARG 320 Cb 0.03 0.14 -0.13 0.00 -0.42 0.00 0.00 29.97 29.58 1pk0 h ARG 320 CO -0.03 -0.40 -0.01 1.49 -1.51 0.00 0.00 179.97 179.51 1pk0 h GLU 321 N -1.01 0.09 -0.40 0.20 4.81 -1.11 0.44 114.58 117.60 1pk0 h GLU 321 Ca -0.06 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1pk0 h GLU 321 Cb 0.48 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1pk0 h GLU 321 CO 0.10 0.06 0.00 1.28 -0.73 0.00 0.00 179.01 179.72 1pk0 n LEU 322 N -5.36 2.52 -3.56 1.64 4.77 -0.65 -4.98 117.00 111.37 1pk0 n LEU 322 Ca 0.14 -1.20 -0.30 0.00 -0.03 0.00 0.00 56.01 54.62 1pk0 n LEU 322 Cb 0.48 -0.27 0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1pk0 n LEU 322 CO 0.04 0.60 -0.25 -3.20 -1.33 0.00 0.00 177.39 173.24 1pk0 n ASN 323 N 0.87 -4.82 -3.65 -1.43 4.05 0.14 -4.58 115.26 105.84 1pk0 n ASN 323 Ca 0.17 -0.56 -0.09 0.00 0.45 0.00 0.00 54.58 54.54 1pk0 n ASN 323 Cb 0.42 -1.50 -0.08 0.00 1.23 0.00 0.00 39.78 39.85 1pk0 n ASN 323 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 177.26 174.49 1pk0 s THR 324 N -2.18 -0.00 0.28 -0.44 -1.32 -0.58 -2.00 115.64 109.40 1pk0 s THR 324 Ca 0.18 0.01 -0.29 0.00 -1.21 0.00 0.00 61.69 60.38 1pk0 s THR 324 Cb -0.02 -0.92 -0.10 0.00 -1.51 0.00 0.00 72.50 69.96 1pk0 s THR 324 CO 0.84 0.01 1.11 -0.31 -2.21 0.00 0.00 174.62 174.05 1pk0 s TYR 325 N 1.27 3.55 -0.14 9.09 1.51 0.31 -4.19 117.35 128.74 1pk0 s TYR 325 Ca -0.07 1.69 0.02 0.00 -1.01 0.00 0.00 57.07 57.69 1pk0 s TYR 325 Cb -0.05 -3.30 0.02 0.00 -0.11 0.00 0.00 41.96 38.51 1pk0 s TYR 325 CO -0.14 -0.61 -0.19 0.42 -1.11 0.00 0.00 175.55 173.93 1pk0 s ILE 326 N -1.17 1.85 -0.14 2.71 1.01 -0.75 -1.31 121.20 123.41 1pk0 s ILE 326 Ca 0.45 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 60.28 1pk0 s ILE 326 Cb -0.32 -1.67 0.01 0.00 0.01 0.00 0.00 42.46 40.49 1pk0 s ILE 326 CO 0.41 0.51 -0.19 -0.76 0.00 0.00 0.00 174.94 174.91 1pk0 s LEU 327 N 1.10 1.95 0.02 2.97 1.02 -0.34 -1.16 118.68 124.23 1pk0 s LEU 327 Ca -0.02 -0.54 0.03 0.00 0.02 0.00 0.00 54.13 53.61 1pk0 s LEU 327 Cb -0.14 -1.31 -0.04 0.00 0.02 0.00 0.00 46.19 44.72 1pk0 s LEU 327 CO -0.06 0.04 -0.01 -0.36 0.02 0.00 0.00 176.35 175.98 1pk0 s PHE 328 N 1.00 3.03 0.57 0.29 0.40 0.12 0.25 117.98 123.64 1pk0 s PHE 328 Ca -0.04 0.04 -0.09 0.00 -0.60 0.00 0.00 56.93 56.24 1pk0 s PHE 328 Cb -0.15 -1.63 -0.03 0.00 0.51 0.00 0.00 43.02 41.72 1pk0 s PHE 328 CO -0.04 0.45 0.94 1.03 0.70 0.00 0.00 175.22 178.30 1pk0 s ARG 329 N -1.73 3.52 0.73 0.44 0.52 0.28 -1.83 118.95 120.88 1pk0 s ARG 329 Ca 0.21 0.51 -0.17 0.00 -0.52 0.00 0.00 55.73 55.77 1pk0 s ARG 329 Cb -0.11 -2.19 -0.07 0.00 0.52 0.00 0.00 34.95 33.09 1pk0 s ARG 329 CO 0.12 -0.46 0.19 -2.30 0.02 0.00 0.00 175.30 172.86 1pk0 n PRO 330 N -2.58 0.16 -4.86 3.54 -0.02 -1.26 -4.61 135.00 125.37 1pk0 n PRO 330 Ca 0.04 0.08 -0.27 0.00 -2.02 0.00 0.00 63.50 61.33 1pk0 n PRO 330 Cb 0.55 -1.53 -0.16 0.00 -0.02 0.00 0.00 33.50 32.33 1pk0 n PRO 330 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pk0 s VAL 331 N -1.97 1.50 -0.37 -1.45 1.01 -1.06 -4.79 120.40 113.27 1pk0 s VAL 331 Ca 0.59 -0.73 -0.38 0.00 0.00 0.00 0.00 61.98 61.47 1pk0 s VAL 331 Cb -0.35 -1.30 -0.13 0.00 0.00 0.00 0.00 36.38 34.59 1pk0 s VAL 331 CO 0.64 0.43 2.13 -3.20 0.00 0.00 0.00 175.10 175.10 1pk0 n ASN 332 N 3.35 1.89 -0.33 3.32 5.15 -1.26 -4.48 115.26 122.90 1pk0 n ASN 332 Ca -0.19 0.54 0.05 0.00 -0.60 0.00 0.00 54.58 54.38 1pk0 n ASN 332 Cb 0.53 -1.18 0.23 0.00 -0.53 0.00 0.00 39.78 38.83 1pk0 n ASN 332 CO 0.00 0.00 0.00 0.11 1.40 0.00 0.00 177.26 178.77 1pk0 h LYS 333 N 11.14 1.01 0.00 1.20 1.57 -1.93 0.55 116.57 130.10 1pk0 h LYS 333 Ca -0.26 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 1pk0 h LYS 333 Cb 1.34 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 33.42 1pk0 h LYS 333 CO 1.03 0.67 0.00 1.28 -0.57 0.00 0.00 179.45 181.86 1pk0 n LEU 334 N -4.52 0.00 -0.10 2.94 7.99 -1.26 -2.33 117.00 119.72 1pk0 n LEU 334 Ca 0.16 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 56.04 1pk0 n LEU 334 Cb 0.25 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.42 1pk0 n LEU 334 CO 0.31 0.00 -1.14 0.00 -1.51 0.00 0.00 177.39 175.05 1pk0 n ALA 335 N -0.69 1.53 -0.05 -1.18 0.00 0.19 -3.83 120.51 116.49 1pk0 n ALA 335 Ca 0.06 -1.15 -0.01 0.00 0.00 0.00 0.00 53.44 52.34 1pk0 n ALA 335 Cb 0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 19.45 19.36 1pk0 n ALA 335 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1pk0 n THR 336 N -2.82 -0.09 -0.25 0.00 -1.04 -0.98 -0.85 114.28 108.25 1pk0 n THR 336 Ca -0.33 1.39 0.05 0.00 -2.04 0.00 0.00 64.05 63.12 1pk0 n THR 336 Cb 1.05 -1.82 0.18 0.00 -1.82 0.00 0.00 70.33 67.92 1pk0 n THR 336 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 1pk0 h ASN 337 N 0.00 0.22 -0.32 8.00 2.35 -1.84 0.15 115.58 124.14 1pk0 h ASN 337 Ca 0.02 0.11 0.05 0.00 -0.55 0.00 0.00 56.30 55.93 1pk0 h ASN 337 Cb 0.05 0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.49 1pk0 h ASN 337 CO -0.12 0.08 0.06 -0.07 -1.65 0.00 0.00 177.43 175.73 1pk0 h LEU 338 N 0.40 0.01 0.26 1.61 3.38 -1.35 0.45 115.31 120.08 1pk0 h LEU 338 Ca 0.40 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.43 1pk0 h LEU 338 Cb 0.62 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 1pk0 h LEU 338 CO -0.42 0.04 -0.51 0.40 0.09 0.00 0.00 178.44 178.04 1pk0 h ILE 339 N 0.18 0.00 -0.98 1.22 2.04 0.12 -1.45 117.51 118.64 1pk0 h ILE 339 Ca 0.15 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.26 1pk0 h ILE 339 Cb 0.17 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.12 1pk0 h ILE 339 CO -0.20 0.00 0.55 0.50 0.00 0.00 0.00 178.15 179.00 1pk0 h LYS 340 N -0.84 0.50 -0.44 2.37 3.64 -0.35 0.93 116.57 122.38 1pk0 h LYS 340 Ca -0.03 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1pk0 h LYS 340 Cb 0.79 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 1pk0 h LYS 340 CO -0.20 0.33 0.00 -1.13 -2.27 0.00 0.00 179.45 176.18 1pk0 n SER 341 N -4.94 0.44 -0.12 4.20 3.41 0.09 -4.79 113.62 111.91 1pk0 n SER 341 Ca 0.26 -1.32 -0.02 0.00 -0.26 0.00 0.00 58.87 57.54 1pk0 n SER 341 Cb 0.75 -0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 64.47 1pk0 n SER 341 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pk0 n GLY 342 N 0.17 0.48 3.79 5.00 0.00 0.32 -5.01 105.19 109.94 1pk0 n GLY 342 Ca 0.00 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.66 1pk0 n GLY 342 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pk0 s VAL 343 N -2.06 3.88 0.46 1.61 1.01 -0.97 -3.52 120.40 120.82 1pk0 s VAL 343 Ca 0.00 1.38 -0.22 0.00 0.00 0.00 0.00 61.98 63.14 1pk0 s VAL 343 Cb 0.00 -3.68 -0.08 0.00 0.00 0.00 0.00 36.38 32.62 1pk0 s VAL 343 CO 0.00 -0.05 1.09 0.00 0.00 0.00 0.00 175.10 176.14 1pk0 s ALA 344 N -1.76 2.94 0.18 5.51 0.00 -1.25 -4.69 121.76 122.69 1pk0 s ALA 344 Ca 0.59 0.76 0.04 0.00 0.00 0.00 0.00 51.96 53.35 1pk0 s ALA 344 Cb -0.19 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 1pk0 s ALA 344 CO 0.24 -0.45 0.27 0.95 0.00 0.00 0.00 175.76 176.77 1pk0 s THR 345 N -1.73 5.10 0.00 0.00 -4.23 -1.26 -0.58 115.64 112.94 1pk0 s THR 345 Ca 0.64 -0.89 -0.30 0.00 -1.18 0.00 0.00 61.69 59.96 1pk0 s THR 345 Cb -0.23 -3.67 -0.03 0.00 1.34 0.00 0.00 72.50 69.91 1pk0 s THR 345 CO 0.27 -0.18 1.00 -1.59 -0.54 0.00 0.00 174.62 173.59 1pk0 s LYS 346 N -3.46 4.54 0.37 3.99 -2.85 -0.64 -4.78 119.74 116.90 1pk0 s LYS 346 Ca 0.34 1.46 0.01 0.00 -1.00 0.00 0.00 55.97 56.77 1pk0 s LYS 346 Cb -0.10 -3.45 0.07 0.00 -2.06 0.00 0.00 37.83 32.29 1pk0 s LYS 346 CO 0.27 -0.09 0.51 0.41 0.10 0.00 0.00 175.35 176.56 1pk0 n GLY 347 N 2.94 0.91 0.00 0.59 0.00 -1.26 -4.69 105.19 103.68 1pk0 n GLY 347 Ca 0.06 -2.03 0.01 0.00 0.00 0.00 0.00 46.02 44.07 1pk0 n GLY 347 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pk0 n LEU 348 N 0.00 0.00 -0.45 0.99 4.77 -1.26 -0.71 117.00 120.33 1pk0 n LEU 348 Ca 0.09 0.45 0.10 0.00 -0.03 0.00 0.00 56.01 56.62 1pk0 n LEU 348 Cb 0.31 -0.45 0.39 0.00 -2.33 0.00 0.00 43.42 41.34 1pk0 n LEU 348 CO 0.21 -0.41 0.78 -0.46 -1.33 0.00 0.00 177.39 176.18 1pk0 n ASN 349 N -1.45 1.35 -3.70 -1.43 0.23 -1.26 -4.59 115.26 104.41 1pk0 n ASN 349 Ca 0.01 -1.67 -0.27 0.00 -0.53 0.00 0.00 54.58 52.12 1pk0 n ASN 349 Cb 0.03 -0.09 -0.17 0.00 -2.08 0.00 0.00 39.78 37.47 1pk0 n ASN 349 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1pk0 s VAL 350 N -1.82 0.35 -0.70 3.53 1.01 0.11 -4.67 120.40 118.21 1pk0 s VAL 350 Ca 0.31 -0.40 0.12 0.00 0.00 0.00 0.00 61.98 62.01 1pk0 s VAL 350 Cb 0.16 -0.87 0.34 0.00 0.00 0.00 0.00 36.38 36.02 1pk0 s VAL 350 CO 0.25 -0.19 1.28 1.41 0.00 0.00 0.00 175.10 177.84 1pk0 n HIS 351 N 5.12 0.55 -2.41 5.22 8.25 -1.26 -4.60 115.22 126.09 1pk0 n HIS 351 Ca -0.08 -0.59 -0.37 0.00 -0.26 0.00 0.00 57.72 56.42 1pk0 n HIS 351 Cb 0.48 -0.10 -0.03 0.00 1.12 0.00 0.00 29.99 31.47 1pk0 n HIS 351 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1pk0 s GLY 352 N -1.23 2.76 0.19 -1.41 0.00 -1.26 -4.96 107.32 101.41 1pk0 s GLY 352 Ca 0.27 0.82 -0.20 0.00 0.00 0.00 0.00 44.72 45.60 1pk0 s GLY 352 CO 0.13 1.26 0.70 0.54 0.00 0.00 0.00 173.10 175.73 1pk0 s LYS 353 N -2.57 4.26 1.08 2.90 -0.14 -1.26 -5.04 119.74 118.97 1pk0 s LYS 353 Ca 0.60 0.86 -0.13 0.00 -1.36 0.00 0.00 55.97 55.94 1pk0 s LYS 353 Cb -0.25 -2.96 0.23 0.00 -1.68 0.00 0.00 37.83 33.17 1pk0 s LYS 353 CO 0.31 0.45 1.07 -1.54 -0.76 0.00 0.00 175.35 174.88 1pk0 s SER 354 N -1.55 1.89 0.09 2.83 1.04 -1.26 -4.53 113.70 112.21 1pk0 s SER 354 Ca 0.40 1.24 0.05 0.00 0.48 0.00 0.00 55.95 58.12 1pk0 s SER 354 Cb -0.18 -1.94 -0.04 0.00 0.10 0.00 0.00 66.02 63.96 1pk0 s SER 354 CO 0.21 -3.60 -0.00 -0.55 0.98 0.00 0.00 173.24 170.28 1pk0 s SER 355 N -3.16 5.02 -0.09 7.02 0.15 -0.52 -1.50 113.70 120.62 1pk0 s SER 355 Ca 0.67 -0.17 0.16 0.00 0.70 0.00 0.00 55.95 57.31 1pk0 s SER 355 Cb -0.21 -1.20 0.35 0.00 -1.71 0.00 0.00 66.02 63.26 1pk0 s SER 355 CO 0.60 0.18 1.16 -0.90 1.20 0.00 0.00 173.24 175.48 1pk0 n ASP 356 N 0.60 1.29 -3.67 5.45 3.85 -1.26 -0.09 116.55 122.71 1pk0 n ASP 356 Ca -0.11 -2.82 -0.09 0.00 -0.71 0.00 0.00 54.79 51.06 1pk0 n ASP 356 Cb 0.52 -0.39 -0.02 0.00 -1.35 0.00 0.00 41.12 39.88 1pk0 n ASP 356 CO 0.00 0.00 0.00 -1.66 -1.01 0.00 0.00 177.20 174.53 1pk0 s TRP 357 N -1.52 -0.34 0.35 2.11 1.48 -1.26 -4.96 118.94 114.80 1pk0 s TRP 357 Ca 0.31 -0.01 0.00 0.00 -1.06 0.00 0.00 56.10 55.33 1pk0 s TRP 357 Cb 0.32 0.65 0.00 0.00 -1.16 0.00 0.00 33.47 33.27 1pk0 s TRP 357 CO -0.09 -1.07 0.00 0.41 -4.06 0.00 0.00 176.95 172.14 1pk0 n GLY 358 N -0.43 -2.41 0.42 3.67 0.00 -1.26 -2.90 105.19 102.28 1pk0 n GLY 358 Ca -0.10 -1.21 0.23 0.00 0.00 0.00 0.00 46.02 44.95 1pk0 n GLY 358 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pk0 h PRO 359 N -1.02 0.32 -0.05 1.61 0.13 -1.93 0.18 132.00 131.25 1pk0 h PRO 359 Ca -0.06 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.05 1pk0 h PRO 359 Cb 1.00 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1pk0 h PRO 359 CO 0.03 0.21 0.00 1.55 -0.23 0.00 0.00 178.00 179.57 1pk0 n VAL 360 N -4.52 0.07 -1.69 1.56 3.14 -1.26 -4.90 118.33 110.74 1pk0 n VAL 360 Ca 0.23 -0.07 -0.44 0.00 -2.96 0.00 0.00 64.34 61.09 1pk0 n VAL 360 Cb 0.86 -0.01 -0.03 0.00 -1.06 0.00 0.00 33.84 33.60 1pk0 n VAL 360 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pk0 n ALA 361 N -0.39 1.49 0.00 1.55 0.00 0.63 -1.64 120.51 122.16 1pk0 n ALA 361 Ca 0.05 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1pk0 n ALA 361 Cb 0.06 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.18 1pk0 n ALA 361 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pk0 n GLY 362 N 2.36 3.21 0.08 0.00 0.00 0.87 -4.92 105.19 106.79 1pk0 n GLY 362 Ca 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 1pk0 n GLY 362 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1pk0 n TYR 363 N -1.46 -3.05 -3.86 1.61 4.02 -0.65 -4.04 117.16 109.73 1pk0 n TYR 363 Ca 0.00 -0.04 -0.33 0.00 -0.01 0.00 0.00 57.90 57.52 1pk0 n TYR 363 Cb 0.00 -0.01 -0.12 0.00 -0.02 0.00 0.00 39.34 39.18 1pk0 n TYR 363 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1pk0 s ILE 364 N 0.80 3.02 0.31 -0.72 -1.09 -1.25 -1.44 121.20 120.83 1pk0 s ILE 364 Ca 0.01 -2.91 -0.29 0.00 -2.23 0.00 0.00 60.65 55.24 1pk0 s ILE 364 Cb -0.00 -3.05 -0.10 0.00 -1.58 0.00 0.00 42.46 37.72 1pk0 s ILE 364 CO 0.01 -0.78 1.32 -2.16 -1.23 0.00 0.00 174.94 172.09 1pk0 s PRO 365 N 0.13 4.35 0.22 2.79 0.04 -1.26 -0.11 135.00 141.16 1pk0 s PRO 365 Ca 0.15 2.20 -0.05 0.00 0.04 0.00 0.00 61.00 63.34 1pk0 s PRO 365 Cb -0.23 -3.09 0.20 0.00 0.04 0.00 0.00 34.50 31.42 1pk0 s PRO 365 CO -0.03 -0.22 1.70 0.35 0.04 0.00 0.00 177.00 178.84 1pk0 h PHE 366 N 3.80 1.01 -1.94 0.56 3.57 -1.62 -3.30 116.94 119.02 1pk0 h PHE 366 Ca -0.48 -0.16 -0.67 0.00 3.53 0.00 0.00 57.97 60.19 1pk0 h PHE 366 Cb 1.22 -0.27 -0.15 0.00 2.79 0.00 0.00 35.95 39.55 1pk0 h PHE 366 CO 0.57 0.91 1.16 0.34 -2.23 0.00 0.00 178.31 179.06 1pk0 s ASP 367 N -6.61 6.66 0.00 0.41 3.68 -1.26 -4.77 116.67 114.77 1pk0 s ASP 367 Ca -0.11 -2.03 0.00 0.00 2.13 0.00 0.00 52.55 52.55 1pk0 s ASP 367 Cb 0.14 -2.46 0.00 0.00 -1.45 0.00 0.00 42.92 39.16 1pk0 s ASP 367 CO 0.84 -1.15 0.55 0.00 0.13 0.00 0.00 175.17 175.54 1pk0 n GLN 368 N 7.17 0.00 0.00 4.34 1.13 -1.24 0.03 117.38 128.81 1pk0 n GLN 368 Ca 0.29 0.14 0.15 0.00 -1.94 0.00 0.00 57.00 55.64 1pk0 n GLN 368 Cb 0.49 -1.56 0.78 0.00 0.11 0.00 0.00 30.24 30.06 1pk0 n GLN 368 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1pk0 n ASP 369 N -1.05 0.38 -0.83 1.08 2.03 -1.26 -2.08 116.55 114.82 1pk0 n ASP 369 Ca 0.00 -0.91 0.10 0.00 0.52 0.00 0.00 54.79 54.50 1pk0 n ASP 369 Cb 0.06 -0.05 0.10 0.00 -0.72 0.00 0.00 41.12 40.51 1pk0 n ASP 369 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1pk0 n LEU 370 N -0.80 2.75 0.00 -2.67 4.77 0.10 -4.39 117.00 116.76 1pk0 n LEU 370 Ca 0.20 -1.07 -0.05 0.00 -0.03 0.00 0.00 56.01 55.06 1pk0 n LEU 370 Cb 0.20 -0.03 0.03 0.00 -2.33 0.00 0.00 43.42 41.29 1pk0 n LEU 370 CO 0.19 0.49 0.13 -1.54 -1.33 0.00 0.00 177.39 175.33 1pk0 n SER 371 N 1.15 0.23 0.24 -1.43 3.41 -0.88 -4.70 113.62 111.64 1pk0 n SER 371 Ca 0.12 -1.21 0.09 0.00 -0.26 0.00 0.00 58.87 57.62 1pk0 n SER 371 Cb 0.51 -0.15 0.62 0.00 -0.26 0.00 0.00 64.21 64.93 1pk0 n SER 371 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 175.04 174.95 1pk0 h LYS 372 N 0.00 0.00 0.00 4.33 2.10 -1.53 -1.15 116.57 120.32 1pk0 h LYS 372 Ca -0.07 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.58 1pk0 h LYS 372 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1pk0 h LYS 372 CO 0.07 0.16 0.00 1.63 -2.00 0.00 0.00 179.45 179.31 1pk0 n LYS 373 N -3.93 0.80 -1.44 0.07 4.01 -1.26 -4.89 118.16 111.51 1pk0 n LYS 373 Ca -0.02 0.00 -0.50 0.00 -0.51 0.00 0.00 58.31 57.28 1pk0 n LYS 373 Cb 0.25 -1.07 -0.04 0.00 -0.51 0.00 0.00 35.03 33.66 1pk0 n LYS 373 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1pk0 n HIS 374 N -0.57 -0.05 -1.00 2.13 -0.00 -0.44 -1.65 115.22 113.65 1pk0 n HIS 374 Ca 0.03 0.95 0.00 0.00 -0.00 0.00 0.00 57.72 58.69 1pk0 n HIS 374 Cb 0.01 -2.02 0.00 0.00 -0.00 0.00 0.00 29.99 27.98 1pk0 n HIS 374 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1pk0 n GLY 375 N 1.85 0.35 2.92 1.57 0.00 -1.26 -4.96 105.19 105.65 1pk0 n GLY 375 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 1pk0 n GLY 375 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pk0 n GLN 376 N -1.72 2.10 -0.11 1.61 6.02 -0.66 -4.99 117.38 119.62 1pk0 n GLN 376 Ca 0.00 -4.51 -0.03 0.00 -0.01 0.00 0.00 57.00 52.45 1pk0 n GLN 376 Cb 0.16 -2.32 -0.03 0.00 1.02 0.00 0.00 30.24 29.07 1pk0 n GLN 376 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1pk0 n GLN 377 N 1.95 -0.12 -0.18 -1.09 7.27 -1.26 0.34 117.38 124.30 1pk0 n GLN 377 Ca 0.21 0.44 -0.07 0.00 0.07 0.00 0.00 57.00 57.65 1pk0 n GLN 377 Cb 0.36 -0.64 0.02 0.00 2.41 0.00 0.00 30.24 32.39 1pk0 n GLN 377 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1pk0 h LEU 378 N 0.00 0.62 -0.50 1.69 5.85 -1.97 0.06 115.31 121.06 1pk0 h LEU 378 Ca 0.04 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.67 1pk0 h LEU 378 Cb 0.11 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1pk0 h LEU 378 CO -0.26 0.47 0.09 0.00 -0.34 0.00 0.00 178.44 178.41 1pk0 h ALA 379 N 1.17 0.67 0.30 1.25 0.00 -0.47 0.26 119.26 122.44 1pk0 h ALA 379 Ca 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1pk0 h ALA 379 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1pk0 h ALA 379 CO -0.04 0.39 -0.20 0.28 0.00 0.00 0.00 179.25 179.68 1pk0 h VAL 380 N 0.70 0.57 -0.35 0.00 2.07 -0.59 0.49 116.25 119.15 1pk0 h VAL 380 Ca 0.15 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.72 1pk0 h VAL 380 Cb 0.38 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 1pk0 h VAL 380 CO 0.01 0.00 0.09 -0.33 0.02 0.00 0.00 177.57 177.36 1pk0 h GLU 381 N -0.49 0.22 -0.49 1.57 5.08 -0.80 0.31 114.58 119.98 1pk0 h GLU 381 Ca -0.03 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 1pk0 h GLU 381 Cb 0.42 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1pk0 h GLU 381 CO 0.02 0.15 0.11 -0.22 -1.00 0.00 0.00 179.01 178.06 1pk0 h LYS 382 N 0.23 0.75 -0.09 2.33 1.63 -0.31 -1.88 116.57 119.22 1pk0 h LYS 382 Ca 0.16 -0.15 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1pk0 h LYS 382 Cb 0.16 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1pk0 h LYS 382 CO -0.19 0.69 0.05 0.78 -3.45 0.00 0.00 179.45 177.33 1pk0 h GLY 383 N 0.93 0.14 0.85 5.01 0.00 0.17 -2.51 103.07 107.66 1pk0 h GLY 383 Ca 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 1pk0 h GLY 383 CO 0.00 0.06 -0.05 3.43 0.00 0.00 0.00 176.54 179.98 1pk0 h ASN 384 N 0.06 -0.12 -0.87 0.19 2.35 -0.22 -2.31 115.58 114.65 1pk0 h ASN 384 Ca 0.03 -0.13 0.22 0.00 -0.55 0.00 0.00 56.30 55.88 1pk0 h ASN 384 Cb 0.08 0.03 -0.13 0.00 0.05 0.00 0.00 38.32 38.35 1pk0 h ASN 384 CO -0.01 0.05 0.31 0.25 -1.65 0.00 0.00 177.43 176.39 1pk0 h LEU 385 N -0.30 0.17 -0.96 1.61 7.12 -1.33 0.61 115.31 122.24 1pk0 h LEU 385 Ca -0.02 0.17 0.02 0.00 0.13 0.00 0.00 57.88 58.19 1pk0 h LEU 385 Cb 0.24 0.19 -0.05 0.00 -0.53 0.00 0.00 40.66 40.51 1pk0 h LEU 385 CO 0.02 -0.07 0.63 -0.33 -0.13 0.00 0.00 178.44 178.57 1pk0 h GLU 386 N 0.31 1.21 -0.14 1.25 4.39 -0.98 0.16 114.58 120.78 1pk0 h GLU 386 Ca 0.54 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 60.12 1pk0 h GLU 386 Cb 1.05 -0.27 -0.00 0.00 -0.10 0.00 0.00 28.75 29.42 1pk0 h GLU 386 CO -0.57 0.80 -0.10 -0.91 -1.16 0.00 0.00 179.01 177.07 1pk0 h ASN 387 N 1.25 0.34 -0.81 1.42 2.35 0.55 -0.13 115.58 120.55 1pk0 h ASN 387 Ca 0.37 -0.44 0.10 0.00 -0.55 0.00 0.00 56.30 55.77 1pk0 h ASN 387 Cb -0.06 -0.09 -0.07 0.00 0.05 0.00 0.00 38.32 38.14 1pk0 h ASN 387 CO -0.10 0.71 0.45 0.11 -1.65 0.00 0.00 177.43 176.95 1pk0 h LYS 388 N -0.03 0.73 -0.20 0.81 1.57 -0.14 0.22 116.57 119.53 1pk0 h LYS 388 Ca 0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.76 1pk0 h LYS 388 Cb 0.60 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1pk0 h LYS 388 CO 0.03 0.48 0.09 0.87 -0.57 0.00 0.00 179.45 180.35 1pk0 h LYS 389 N 0.75 0.29 -0.87 3.15 1.57 -0.50 -1.16 116.57 119.79 1pk0 h LYS 389 Ca 0.39 -0.04 0.10 0.00 -1.87 0.00 0.00 60.65 59.22 1pk0 h LYS 389 Cb 0.38 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.56 1pk0 h LYS 389 CO -0.25 0.32 0.51 0.77 -0.57 0.00 0.00 179.45 180.23 1pk0 h SER 390 N 0.18 0.75 -0.43 0.86 0.02 0.55 0.16 113.55 115.63 1pk0 h SER 390 Ca 0.07 0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 60.96 1pk0 h SER 390 Cb 0.13 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 1pk0 h SER 390 CO -0.01 0.43 -0.11 0.40 -1.14 0.00 0.00 176.83 176.40 1pk0 h ILE 391 N 0.86 1.26 0.00 3.27 1.08 -0.30 -3.20 117.51 120.48 1pk0 h ILE 391 Ca 0.42 -1.22 -0.18 0.00 -0.39 0.00 0.00 64.86 63.49 1pk0 h ILE 391 Cb 0.37 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 35.09 1pk0 h ILE 391 CO -0.24 0.42 -1.23 0.35 -0.69 0.00 0.00 178.15 176.76 1pk0 n THR 392 N -4.15 1.50 0.77 -0.27 -2.24 -0.47 -3.48 114.28 105.94 1pk0 n THR 392 Ca 0.01 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.85 1pk0 n THR 392 Cb 0.38 -2.15 0.30 0.00 -2.10 0.00 0.00 70.33 66.77 1pk0 n THR 392 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1pk0 n GLU 393 N -4.46 0.38 -1.24 -0.78 1.02 0.47 -2.50 120.64 113.54 1pk0 n GLU 393 Ca -0.27 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 56.89 1pk0 n GLU 393 Cb 0.58 -1.41 0.01 0.00 -0.02 0.00 0.00 31.44 30.59 1pk0 n GLU 393 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1pk0 n HIS 394 N -0.91 0.00 -1.02 -0.32 8.25 -1.21 -5.03 115.22 114.97 1pk0 n HIS 394 Ca 0.08 -0.39 -0.34 0.00 -0.26 0.00 0.00 57.72 56.81 1pk0 n HIS 394 Cb 0.04 -0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.07 1pk0 n HIS 394 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 1pk0 n GLU 395 N 0.35 0.00 0.00 -0.41 2.13 -1.04 -0.09 120.64 121.58 1pk0 n GLU 395 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1pk0 n GLU 395 Cb 1.01 -0.77 0.00 0.00 0.27 0.00 0.00 31.44 31.95 1pk0 n GLU 395 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pk0 n GLY 396 N 1.74 1.02 0.09 8.31 0.00 -1.26 -4.58 105.19 110.50 1pk0 n GLY 396 Ca 0.10 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 1pk0 n GLY 396 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1pk0 h GLU 397 N 0.49 0.00 -6.63 1.61 4.57 -0.87 -3.40 114.58 110.34 1pk0 h GLU 397 Ca 0.00 0.00 -0.65 0.00 -1.18 0.00 0.00 59.36 57.53 1pk0 h GLU 397 Cb 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 28.75 28.37 1pk0 h GLU 397 CO 0.00 0.57 -0.86 0.42 -1.18 0.00 0.00 179.01 177.96 1pk0 s ILE 398 N -2.30 2.06 0.05 2.32 -1.09 -1.00 -0.74 121.20 120.49 1pk0 s ILE 398 Ca -0.23 -1.64 -0.01 0.00 -2.23 0.00 0.00 60.65 56.54 1pk0 s ILE 398 Cb 0.04 -1.83 0.01 0.00 -1.58 0.00 0.00 42.46 39.10 1pk0 s ILE 398 CO 0.43 0.07 0.08 0.61 -1.23 0.00 0.00 174.94 174.90 1pk0 n GLY 399 N 1.08 2.23 3.23 6.18 0.00 0.77 -4.60 105.19 114.07 1pk0 n GLY 399 Ca -0.18 -1.15 -0.18 0.00 0.00 0.00 0.00 46.02 44.51 1pk0 n GLY 399 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pk0 s LYS 400 N -2.04 1.00 0.09 1.61 -2.85 -1.26 0.55 119.74 116.85 1pk0 s LYS 400 Ca 0.02 -1.22 -0.11 0.00 -1.00 0.00 0.00 55.97 53.66 1pk0 s LYS 400 Cb -0.00 -0.88 0.01 0.00 -2.06 0.00 0.00 37.83 34.90 1pk0 s LYS 400 CO 0.02 0.17 0.26 0.96 0.10 0.00 0.00 175.35 176.86 1pk0 s ILE 401 N -2.12 0.11 0.40 3.79 -4.36 -0.26 -4.88 121.20 113.88 1pk0 s ILE 401 Ca 0.08 -0.93 -0.26 0.00 -0.26 0.00 0.00 60.65 59.28 1pk0 s ILE 401 Cb -0.05 -1.22 -0.09 0.00 1.25 0.00 0.00 42.46 42.35 1pk0 s ILE 401 CO 0.03 -0.51 1.30 -2.84 0.24 0.00 0.00 174.94 173.16 1pk0 s PRO 402 N -3.61 4.02 -0.05 0.37 0.02 -1.26 -0.05 135.00 134.43 1pk0 s PRO 402 Ca 0.03 2.17 -0.30 0.00 0.02 0.00 0.00 61.00 62.91 1pk0 s PRO 402 Cb 0.03 -2.80 -0.02 0.00 0.02 0.00 0.00 34.50 31.73 1pk0 s PRO 402 CO -0.10 -0.46 0.99 -1.17 -0.33 0.00 0.00 177.00 175.94 1pk0 s LEU 403 N -2.35 4.31 -0.15 -5.54 2.96 0.04 -4.82 118.68 113.13 1pk0 s LEU 403 Ca 0.56 1.59 0.02 0.00 -0.22 0.00 0.00 54.13 56.08 1pk0 s LEU 403 Cb -0.38 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 42.76 1pk0 s LEU 403 CO 0.49 -0.36 -0.20 -0.54 -1.32 0.00 0.00 176.35 174.43 1pk0 s LYS 404 N 1.53 3.07 -0.44 1.98 1.02 -1.26 -1.76 119.74 123.87 1pk0 s LYS 404 Ca 0.50 -0.83 -0.16 0.00 0.02 0.00 0.00 55.97 55.50 1pk0 s LYS 404 Cb -0.20 -2.49 0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1pk0 s LYS 404 CO 0.23 -0.01 0.42 -0.51 -0.92 0.00 0.00 175.35 174.55 1pk0 s LEU 405 N 0.83 5.13 0.67 3.17 1.43 -0.96 -5.02 118.68 123.93 1pk0 s LEU 405 Ca -0.06 -0.92 -0.17 0.00 -1.03 0.00 0.00 54.13 51.95 1pk0 s LEU 405 Cb -0.15 -2.29 0.00 0.00 0.03 0.00 0.00 46.19 43.78 1pk0 s LEU 405 CO -0.02 -0.60 1.23 -0.62 0.23 0.00 0.00 176.35 176.57 1pk0 s ASP 406 N 2.08 4.59 0.30 2.29 3.68 -1.26 -4.77 116.67 123.59 1pk0 s ASP 406 Ca 0.09 2.44 0.05 0.00 2.13 0.00 0.00 52.55 57.26 1pk0 s ASP 406 Cb -0.20 -2.60 0.79 0.00 -1.45 0.00 0.00 42.92 39.47 1pk0 s ASP 406 CO 0.11 -2.00 1.67 0.45 0.13 0.00 0.00 175.17 175.53 1pk0 h HIS 407 N 0.28 0.58 -0.26 -5.34 3.86 -1.99 -0.86 115.15 111.42 1pk0 h HIS 407 Ca -0.49 0.04 -0.19 0.00 -1.16 0.00 0.00 60.37 58.57 1pk0 h HIS 407 Cb 1.31 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 29.67 1pk0 h HIS 407 CO 0.45 -0.14 -0.57 -0.07 0.86 0.00 0.00 177.93 178.46 1pk0 h LEU 408 N 0.31 0.92 -0.78 2.43 3.38 -2.00 -3.25 115.31 116.31 1pk0 h LEU 408 Ca 0.59 -0.51 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1pk0 h LEU 408 Cb 1.20 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 1pk0 h LEU 408 CO -0.60 1.29 0.51 -0.09 0.09 0.00 0.00 178.44 179.65 1pk0 h ARG 409 N 0.62 0.99 -0.57 1.13 9.65 -1.51 -0.44 114.38 124.26 1pk0 h ARG 409 Ca 0.01 -0.06 0.07 0.00 -1.10 0.00 0.00 59.98 58.90 1pk0 h ARG 409 Cb 1.18 -0.22 -0.06 0.00 -1.39 0.00 0.00 29.97 29.47 1pk0 h ARG 409 CO 0.12 0.66 0.25 0.82 2.80 0.00 0.00 179.97 184.62 1pk0 h ILE 410 N 1.02 0.87 0.12 1.20 1.08 -1.51 0.87 117.51 121.16 1pk0 h ILE 410 Ca 0.30 -0.16 0.01 0.00 -0.39 0.00 0.00 64.86 64.62 1pk0 h ILE 410 Cb -0.06 0.36 -0.02 0.00 -3.07 0.00 0.00 36.82 34.03 1pk0 h ILE 410 CO -0.09 0.09 -0.14 -0.08 -0.69 0.00 0.00 178.15 177.24 1pk0 h GLU 411 N 0.47 -0.29 -0.63 2.37 4.57 -1.37 0.16 114.58 119.86 1pk0 h GLU 411 Ca 0.27 0.02 0.12 0.00 -1.18 0.00 0.00 59.36 58.59 1pk0 h GLU 411 Cb 0.25 0.07 -0.09 0.00 -0.16 0.00 0.00 28.75 28.82 1pk0 h GLU 411 CO -0.23 -0.19 0.13 0.93 -1.18 0.00 0.00 179.01 178.46 1pk0 h GLU 412 N -0.30 0.24 -0.83 1.92 5.08 -0.21 0.04 114.58 120.53 1pk0 h GLU 412 Ca 0.01 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 1pk0 h GLU 412 Cb 0.30 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1pk0 h GLU 412 CO -0.06 0.16 0.36 -0.07 -1.00 0.00 0.00 179.01 178.40 1pk0 h LEU 413 N 0.25 1.12 -0.36 1.33 3.38 -0.22 -2.16 115.31 118.65 1pk0 h LEU 413 Ca 0.34 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1pk0 h LEU 413 Cb 0.52 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1pk0 h LEU 413 CO -0.44 0.97 0.17 0.50 0.09 0.00 0.00 178.44 179.73 1pk0 h LYS 414 N 1.19 0.35 0.65 1.13 3.64 0.12 -1.24 116.57 122.41 1pk0 h LYS 414 Ca 0.28 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1pk0 h LYS 414 Cb 0.18 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1pk0 h LYS 414 CO -0.03 0.23 -0.38 0.93 -2.27 0.00 0.00 179.45 177.93 1pk0 h GLU 415 N 0.36 -0.92 0.00 1.90 4.39 -1.04 -0.44 114.58 118.83 1pk0 h GLU 415 Ca 0.15 0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.91 1pk0 h GLU 415 Cb 0.06 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1pk0 h GLU 415 CO -0.11 -0.61 0.18 0.09 -1.16 0.00 0.00 179.01 177.40 1pk0 n ASN 416 N -4.80 0.00 -3.30 1.42 5.03 -0.84 -4.76 115.26 108.00 1pk0 n ASN 416 Ca -0.12 0.25 -0.16 0.00 0.87 0.00 0.00 54.58 55.42 1pk0 n ASN 416 Cb 0.39 -0.25 0.08 0.00 -1.02 0.00 0.00 39.78 38.99 1pk0 n ASN 416 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pk0 n GLY 417 N -1.21 -0.72 0.21 7.41 0.00 -0.17 -4.95 105.19 105.75 1pk0 n GLY 417 Ca 0.00 0.32 -0.13 0.00 0.00 0.00 0.00 46.02 46.21 1pk0 n GLY 417 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1pk0 n ILE 418 N -3.65 0.91 -3.95 -0.61 2.08 -0.65 -5.05 119.36 108.45 1pk0 n ILE 418 Ca -0.18 -0.31 -0.09 0.00 0.56 0.00 0.00 62.75 62.73 1pk0 n ILE 418 Cb 0.64 -1.28 -0.07 0.00 -0.75 0.00 0.00 39.64 38.18 1pk0 n ILE 418 CO 0.00 0.00 0.00 0.27 0.56 0.00 0.00 176.55 177.38 1pk0 s ILE 419 N -2.31 0.08 -0.03 1.39 -4.36 -1.25 -4.37 121.20 110.35 1pk0 s ILE 419 Ca -0.22 -1.36 0.01 0.00 -0.26 0.00 0.00 60.65 58.82 1pk0 s ILE 419 Cb 0.07 -1.77 0.02 0.00 1.25 0.00 0.00 42.46 42.03 1pk0 s ILE 419 CO 0.34 -0.35 -0.01 -0.76 0.24 0.00 0.00 174.94 174.40 1pk0 s LEU 420 N -2.95 1.36 -0.19 0.37 1.43 -0.99 -3.93 118.68 113.77 1pk0 s LEU 420 Ca 0.15 -0.05 -0.29 0.00 -1.03 0.00 0.00 54.13 52.91 1pk0 s LEU 420 Cb 0.04 -0.24 -0.02 0.00 0.03 0.00 0.00 46.19 45.99 1pk0 s LEU 420 CO -0.02 -0.06 1.40 -0.75 0.23 0.00 0.00 176.35 177.15 1pk0 s LYS 421 N 0.78 4.06 0.00 1.70 2.20 -1.26 -0.84 119.74 126.38 1pk0 s LYS 421 Ca -0.08 1.63 0.00 0.00 -0.36 0.00 0.00 55.97 57.16 1pk0 s LYS 421 Cb -0.11 -3.88 0.00 0.00 -1.51 0.00 0.00 37.83 32.33 1pk0 s LYS 421 CO -0.01 -0.95 0.00 0.41 -0.36 0.00 0.00 175.35 174.44 1pk0 n GLY 422 N 4.07 2.44 3.70 5.54 0.00 0.19 -4.97 105.19 116.17 1pk0 n GLY 422 Ca 0.16 -1.85 -0.32 0.00 0.00 0.00 0.00 46.02 44.01 1pk0 n GLY 422 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pk0 s LYS 423 N 3.99 1.46 0.60 1.61 -2.85 -1.26 -4.44 119.74 118.85 1pk0 s LYS 423 Ca 0.00 1.58 -0.06 0.00 -1.00 0.00 0.00 55.97 56.49 1pk0 s LYS 423 Cb 0.00 -1.77 0.01 0.00 -2.06 0.00 0.00 37.83 34.01 1pk0 s LYS 423 CO 0.00 -2.31 0.90 -1.59 0.10 0.00 0.00 175.35 172.45 1pk0 s LYS 424 N -4.46 2.86 -0.11 1.78 -2.85 -1.26 -1.37 119.74 114.33 1pk0 s LYS 424 Ca 0.68 -0.05 -0.19 0.00 -1.00 0.00 0.00 55.97 55.42 1pk0 s LYS 424 Cb -0.24 -2.27 0.04 0.00 -2.06 0.00 0.00 37.83 33.30 1pk0 s LYS 424 CO 0.54 -0.73 0.47 -2.00 0.10 0.00 0.00 175.35 173.73 1pk0 s GLU 425 N -5.00 0.70 -0.11 1.78 2.12 0.12 -4.85 118.70 113.47 1pk0 s GLU 425 Ca 0.54 0.33 0.02 0.00 0.36 0.00 0.00 54.97 56.23 1pk0 s GLU 425 Cb -0.11 0.33 0.01 0.00 0.26 0.00 0.00 34.13 34.63 1pk0 s GLU 425 CO 0.45 -0.16 -0.17 0.42 -0.54 0.00 0.00 175.26 175.27 1pk0 s ILE 426 N -0.51 1.58 -0.03 -3.70 1.01 -1.26 0.65 121.20 118.94 1pk0 s ILE 426 Ca -0.06 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 59.91 1pk0 s ILE 426 Cb -0.03 -1.43 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 1pk0 s ILE 426 CO 0.04 0.46 0.00 -0.67 0.00 0.00 0.00 174.94 174.76 1pk0 n ASP 427 N 4.06 4.17 -3.37 3.58 -0.08 -0.36 -4.89 116.55 119.66 1pk0 n ASP 427 Ca -0.20 -0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 52.98 1pk0 n ASP 427 Cb 0.52 0.46 -0.08 0.00 2.34 0.00 0.00 41.12 44.35 1pk0 n ASP 427 CO 0.00 0.00 0.00 0.21 0.12 0.00 0.00 177.20 177.53 1pk0 s ASN 428 N -3.55 0.41 0.00 1.67 2.47 -1.26 -4.84 114.94 109.84 1pk0 s ASN 428 Ca -0.02 0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.38 1pk0 s ASN 428 Cb 0.01 1.02 0.00 0.00 -1.45 0.00 0.00 41.25 40.83 1pk0 s ASN 428 CO 0.11 -0.31 0.00 0.61 -3.72 0.00 0.00 177.10 173.80 1pk0 n GLY 429 N 5.36 0.00 3.18 1.21 0.00 -1.26 -4.70 105.19 108.97 1pk0 n GLY 429 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1pk0 n GLY 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pk0 s LYS 430 N -0.15 1.66 -0.17 1.61 1.02 -1.26 -5.12 119.74 117.33 1pk0 s LYS 430 Ca 0.00 -0.67 -0.20 0.00 0.02 0.00 0.00 55.97 55.11 1pk0 s LYS 430 Cb 0.00 -1.54 -0.03 0.00 -0.52 0.00 0.00 37.83 35.74 1pk0 s LYS 430 CO 0.00 0.36 0.59 0.21 -0.92 0.00 0.00 175.35 175.60 1pk0 s LYS 431 N -0.30 4.25 0.14 1.68 2.20 -1.26 -1.22 119.74 125.22 1pk0 s LYS 431 Ca 0.04 0.58 0.05 0.00 -0.36 0.00 0.00 55.97 56.28 1pk0 s LYS 431 Cb -0.09 -3.54 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 1pk0 s LYS 431 CO 0.00 -0.14 -0.11 0.71 -0.36 0.00 0.00 175.35 175.45 1pk0 s TYR 432 N 1.57 1.31 -0.11 4.03 1.51 0.21 -1.85 117.35 124.01 1pk0 s TYR 432 Ca 0.28 -0.70 -0.01 0.00 -1.01 0.00 0.00 57.07 55.64 1pk0 s TYR 432 Cb -0.16 -0.66 0.03 0.00 -0.11 0.00 0.00 41.96 41.05 1pk0 s TYR 432 CO 0.11 0.11 -0.06 0.71 -1.11 0.00 0.00 175.55 175.31 1pk0 s TYR 433 N -3.01 1.34 0.54 2.71 4.12 -0.34 0.11 117.35 122.82 1pk0 s TYR 433 Ca 0.15 -0.67 -0.22 0.00 0.02 0.00 0.00 57.07 56.35 1pk0 s TYR 433 Cb 0.00 -1.16 -0.05 0.00 -1.52 0.00 0.00 41.96 39.24 1pk0 s TYR 433 CO 0.02 -0.49 1.35 1.28 0.02 0.00 0.00 175.55 177.72 1pk0 n LEU 434 N 4.98 5.42 -4.05 -1.29 4.32 -0.47 -0.60 117.00 125.30 1pk0 n LEU 434 Ca -0.11 0.98 -0.31 0.00 -0.02 0.00 0.00 56.01 56.55 1pk0 n LEU 434 Cb 0.50 -1.57 -0.16 0.00 -1.62 0.00 0.00 43.42 40.56 1pk0 n LEU 434 CO 0.15 -0.61 -0.50 -0.76 -1.22 0.00 0.00 177.39 174.45 1pk0 s LEU 435 N -3.32 1.79 0.40 2.23 1.43 0.92 0.54 118.68 122.67 1pk0 s LEU 435 Ca 0.71 -0.52 0.05 0.00 -1.03 0.00 0.00 54.13 53.34 1pk0 s LEU 435 Cb -0.42 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.56 1pk0 s LEU 435 CO 0.50 -0.03 0.56 -1.61 0.23 0.00 0.00 176.35 176.00 1pk0 s GLU 436 N 1.37 3.00 -0.11 1.70 8.01 -0.02 -3.65 118.70 128.99 1pk0 s GLU 436 Ca 0.03 -0.91 -0.30 0.00 0.01 0.00 0.00 54.97 53.80 1pk0 s GLU 436 Cb -0.13 -2.72 0.08 0.00 -4.31 0.00 0.00 34.13 27.05 1pk0 s GLU 436 CO -0.10 -0.15 0.72 -1.54 0.01 0.00 0.00 175.26 174.21 1pk0 s SER 437 N -4.24 -0.65 0.00 -0.19 1.04 -1.26 -2.34 113.70 106.06 1pk0 s SER 437 Ca 0.49 0.84 0.00 0.00 0.48 0.00 0.00 55.95 57.76 1pk0 s SER 437 Cb -0.10 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.74 1pk0 s SER 437 CO 0.34 -0.50 0.34 -0.46 0.98 0.00 0.00 173.24 173.93 1pk0 n ASN 438 N 1.29 0.01 -4.79 7.02 2.04 -1.26 -4.75 115.26 114.81 1pk0 n ASN 438 Ca -0.17 -0.68 -0.35 0.00 -0.44 0.00 0.00 54.58 52.93 1pk0 n ASN 438 Cb 0.57 -0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.78 1pk0 n ASN 438 CO 0.00 0.00 0.00 0.21 -0.44 0.00 0.00 177.26 177.03 1pk0 s ASN 439 N -1.64 6.36 -0.01 0.53 3.84 -1.26 -4.99 114.94 117.78 1pk0 s ASN 439 Ca 0.00 2.03 0.16 0.00 0.21 0.00 0.00 52.86 55.26 1pk0 s ASN 439 Cb 0.00 -2.57 -0.20 0.00 -0.55 0.00 0.00 41.25 37.93 1pk0 s ASN 439 CO 0.00 -0.77 0.57 0.00 -2.79 0.00 0.00 177.10 174.12 1pk0 n GLN 440 N -0.71 1.35 -0.05 0.43 0.00 -1.26 -4.68 117.38 112.46 1pk0 n GLN 440 Ca 0.08 -0.05 -0.21 0.00 0.00 0.00 0.00 57.00 56.82 1pk0 n GLN 440 Cb 0.51 -1.30 -0.13 0.00 0.00 0.00 0.00 30.24 29.33 1pk0 n GLN 440 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1pk0 n VAL 441 N -1.60 1.66 -3.95 -0.39 0.31 -1.26 -4.77 118.33 108.34 1pk0 n VAL 441 Ca 0.01 -0.56 -0.22 0.00 -0.01 0.00 0.00 64.34 63.56 1pk0 n VAL 441 Cb 0.31 -1.68 -0.04 0.00 -0.91 0.00 0.00 33.84 31.51 1pk0 n VAL 441 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1pk0 s TYR 442 N -2.53 2.89 -0.04 3.52 1.51 -1.26 -0.24 117.35 121.20 1pk0 s TYR 442 Ca -0.28 -0.28 0.01 0.00 -1.01 0.00 0.00 57.07 55.51 1pk0 s TYR 442 Cb 0.08 -1.67 0.02 0.00 -0.11 0.00 0.00 41.96 40.28 1pk0 s TYR 442 CO 0.69 0.29 -0.05 -2.00 -1.11 0.00 0.00 175.55 173.37 1pk0 s GLU 443 N -3.92 0.80 0.11 -0.62 2.12 0.37 -4.76 118.70 112.80 1pk0 s GLU 443 Ca 0.38 -0.13 0.10 0.00 0.36 0.00 0.00 54.97 55.69 1pk0 s GLU 443 Cb -0.05 -0.79 -0.04 0.00 0.26 0.00 0.00 34.13 33.50 1pk0 s GLU 443 CO 0.25 -0.04 -0.26 -0.06 -0.54 0.00 0.00 175.26 174.61 1pk0 s PHE 444 N 0.74 2.34 0.07 5.30 0.40 -1.24 -1.39 117.98 124.21 1pk0 s PHE 444 Ca -0.10 -0.37 -0.07 0.00 -0.60 0.00 0.00 56.93 55.79 1pk0 s PHE 444 Cb -0.13 -1.29 -0.01 0.00 0.51 0.00 0.00 43.02 42.10 1pk0 s PHE 444 CO 0.00 0.30 0.13 -0.98 0.70 0.00 0.00 175.22 175.38 1pk0 s ARG 445 N -1.91 0.77 0.00 0.44 3.03 -0.46 -0.06 118.95 120.76 1pk0 s ARG 445 Ca 0.14 -0.98 0.06 0.00 2.03 0.00 0.00 55.73 56.97 1pk0 s ARG 445 Cb -0.10 0.30 -0.02 0.00 -1.03 0.00 0.00 34.95 34.11 1pk0 s ARG 445 CO 0.06 -0.22 -0.18 -1.50 -1.13 0.00 0.00 175.30 172.33 1pk0 s ILE 446 N -3.71 1.41 0.21 4.99 2.07 0.23 -0.49 121.20 125.90 1pk0 s ILE 446 Ca 0.04 -0.85 -0.30 0.00 -1.41 0.00 0.00 60.65 58.13 1pk0 s ILE 446 Cb 0.05 -1.19 -0.08 0.00 0.13 0.00 0.00 42.46 41.36 1pk0 s ILE 446 CO -0.10 0.32 1.06 -0.55 -1.91 0.00 0.00 174.94 173.76 1pk0 s SER 447 N -0.62 7.36 0.15 4.50 0.15 0.78 -1.19 113.70 124.82 1pk0 s SER 447 Ca 0.06 2.08 -0.03 0.00 0.70 0.00 0.00 55.95 58.76 1pk0 s SER 447 Cb -0.07 -2.61 -0.03 0.00 -1.71 0.00 0.00 66.02 61.59 1pk0 s SER 447 CO -0.00 -0.12 1.36 -0.78 1.20 0.00 0.00 173.24 174.90 1pk0 h ASP 448 N 4.68 0.49 0.00 5.45 1.82 -1.71 -1.79 116.42 125.36 1pk0 h ASP 448 Ca -0.45 -0.37 0.00 0.00 -0.39 0.00 0.00 57.03 55.82 1pk0 h ASP 448 Cb 1.21 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 41.07 1pk0 h ASP 448 CO 0.70 1.15 0.00 -0.62 -1.61 0.00 0.00 179.24 178.86 1pk0 n GLU 449 N -3.77 0.00 0.00 0.28 1.02 -1.26 -4.28 120.64 112.63 1pk0 n GLU 449 Ca -0.06 0.30 0.12 0.00 -0.02 0.00 0.00 57.16 57.51 1pk0 n GLU 449 Cb 0.79 -1.20 0.24 0.00 -0.02 0.00 0.00 31.44 31.25 1pk0 n GLU 449 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1pk0 n ASN 450 N -1.41 1.35 -1.59 1.62 0.23 -1.26 -4.97 115.26 109.22 1pk0 n ASN 450 Ca 0.00 -1.09 -0.13 0.00 -0.53 0.00 0.00 54.58 52.83 1pk0 n ASN 450 Cb 0.00 0.26 0.00 0.00 -2.08 0.00 0.00 39.78 37.97 1pk0 n ASN 450 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1pk0 n ASN 451 N -0.47 -4.07 -4.81 0.53 3.02 -0.67 -4.92 115.26 103.87 1pk0 n ASN 451 Ca 0.11 -0.06 -0.38 0.00 -0.03 0.00 0.00 54.58 54.21 1pk0 n ASN 451 Cb 0.39 -3.17 -0.06 0.00 -0.61 0.00 0.00 39.78 36.33 1pk0 n ASN 451 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1pk0 s GLU 452 N -4.82 4.27 -0.12 3.52 2.02 -1.25 -2.27 118.70 120.05 1pk0 s GLU 452 Ca 0.06 0.83 -0.09 0.00 0.02 0.00 0.00 54.97 55.79 1pk0 s GLU 452 Cb -0.03 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 30.99 1pk0 s GLU 452 CO 0.07 0.58 0.18 0.08 0.02 0.00 0.00 175.26 176.19 1pk0 s VAL 453 N -1.21 5.42 0.23 2.63 1.01 -0.72 -0.16 120.40 127.60 1pk0 s VAL 453 Ca 0.33 0.31 0.08 0.00 0.00 0.00 0.00 61.98 62.70 1pk0 s VAL 453 Cb -0.20 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 1pk0 s VAL 453 CO 0.21 0.57 -0.12 -1.10 0.00 0.00 0.00 175.10 174.66 1pk0 s GLN 454 N -0.72 1.43 0.08 2.72 -0.21 0.36 -2.18 119.66 121.13 1pk0 s GLN 454 Ca 0.15 -1.66 -0.11 0.00 0.02 0.00 0.00 55.36 53.76 1pk0 s GLN 454 Cb -0.13 -1.19 0.01 0.00 1.00 0.00 0.00 33.01 32.70 1pk0 s GLN 454 CO 0.04 0.16 0.25 1.52 -2.12 0.00 0.00 175.29 175.13 1pk0 s TYR 455 N -2.94 0.03 0.14 0.91 -0.00 0.04 -1.35 117.35 114.18 1pk0 s TYR 455 Ca 0.25 -0.35 -0.11 0.00 -0.00 0.00 0.00 57.07 56.86 1pk0 s TYR 455 Cb 0.00 0.02 0.01 0.00 -0.00 0.00 0.00 41.96 41.99 1pk0 s TYR 455 CO 0.09 -0.54 0.31 -1.59 -0.00 0.00 0.00 175.55 173.82 1pk0 s LYS 456 N -3.39 1.08 0.29 -3.49 -2.85 -0.49 -2.09 119.74 108.80 1pk0 s LYS 456 Ca 0.01 -0.99 -0.22 0.00 -1.00 0.00 0.00 55.97 53.77 1pk0 s LYS 456 Cb 0.02 0.40 -0.09 0.00 -2.06 0.00 0.00 37.83 36.10 1pk0 s LYS 456 CO -0.09 -0.40 0.83 0.95 0.10 0.00 0.00 175.35 176.75 1pk0 s THR 457 N -3.90 4.43 0.92 3.79 -4.23 -0.83 -0.47 115.64 115.35 1pk0 s THR 457 Ca 0.10 1.48 -0.12 0.00 -1.18 0.00 0.00 61.69 61.97 1pk0 s THR 457 Cb 0.03 -3.87 0.15 0.00 1.34 0.00 0.00 72.50 70.14 1pk0 s THR 457 CO -0.06 0.10 1.09 -0.54 -0.54 0.00 0.00 174.62 174.67 1pk0 s LYS 458 N -2.20 1.02 0.22 3.99 1.02 0.66 -4.82 119.74 119.64 1pk0 s LYS 458 Ca 0.48 0.87 -0.32 0.00 0.02 0.00 0.00 55.97 57.03 1pk0 s LYS 458 Cb -0.16 -1.78 -0.13 0.00 -0.52 0.00 0.00 37.83 35.24 1pk0 s LYS 458 CO 0.21 -2.42 1.57 -1.91 -0.92 0.00 0.00 175.35 171.88 1pk0 n GLU 459 N -4.01 2.37 0.00 1.68 2.13 -1.26 -1.75 120.64 119.80 1pk0 n GLU 459 Ca 0.07 0.85 0.00 0.00 0.66 0.00 0.00 57.16 58.74 1pk0 n GLU 459 Cb 0.55 -2.61 0.00 0.00 0.27 0.00 0.00 31.44 29.65 1pk0 n GLU 459 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pk0 n GLY 460 N 2.96 0.28 3.80 8.31 0.00 -1.26 -4.92 105.19 114.36 1pk0 n GLY 460 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1pk0 n GLY 460 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pk0 s LYS 461 N 0.00 3.36 0.01 1.61 -0.14 -0.72 -5.06 119.74 118.80 1pk0 s LYS 461 Ca 0.00 1.30 0.06 0.00 -1.36 0.00 0.00 55.97 55.97 1pk0 s LYS 461 Cb 0.00 -2.03 -0.02 0.00 -1.68 0.00 0.00 37.83 34.10 1pk0 s LYS 461 CO 0.00 -0.79 -0.18 -1.50 -0.76 0.00 0.00 175.35 172.12 1pk0 s ILE 462 N -2.28 1.45 0.92 2.17 2.07 -1.26 -4.72 121.20 119.55 1pk0 s ILE 462 Ca 0.66 -0.91 -0.11 0.00 -1.41 0.00 0.00 60.65 58.88 1pk0 s ILE 462 Cb -0.17 -1.23 0.14 0.00 0.13 0.00 0.00 42.46 41.33 1pk0 s ILE 462 CO 0.33 0.31 1.09 -0.89 -1.91 0.00 0.00 174.94 173.87 1pk0 s THR 463 N -0.57 2.55 0.14 4.00 2.01 -0.45 -4.85 115.64 118.47 1pk0 s THR 463 Ca 0.06 0.18 -0.18 0.00 0.31 0.00 0.00 61.69 62.06 1pk0 s THR 463 Cb -0.07 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 1pk0 s THR 463 CO 0.00 -0.23 1.79 0.58 -0.69 0.00 0.00 174.62 176.07 1pk0 h VAL 464 N -1.71 1.06 0.00 3.82 2.07 -1.97 0.36 116.25 119.88 1pk0 h VAL 464 Ca -0.49 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.90 1pk0 h VAL 464 Cb 1.28 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 1pk0 h VAL 464 CO 0.51 0.07 0.00 0.18 0.02 0.00 0.00 177.57 178.35 1pk0 n LEU 465 N -4.90 0.00 -2.43 2.57 4.77 -1.26 -4.84 117.00 110.91 1pk0 n LEU 465 Ca -0.01 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.89 1pk0 n LEU 465 Cb 0.03 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.16 1pk0 n LEU 465 CO 0.33 0.00 0.02 0.61 -1.33 0.00 0.00 177.39 177.02 1pk0 n GLY 466 N 0.18 -0.18 3.49 -0.72 0.00 0.12 -5.06 105.19 103.01 1pk0 n GLY 466 Ca 0.06 0.16 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 1pk0 n GLY 466 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pk0 s GLU 467 N -3.82 1.75 -0.29 1.61 2.02 -1.25 -4.86 118.70 113.87 1pk0 s GLU 467 Ca 0.23 -2.00 -0.20 0.00 0.02 0.00 0.00 54.97 53.02 1pk0 s GLU 467 Cb -0.03 -0.92 0.13 0.00 0.10 0.00 0.00 34.13 33.41 1pk0 s GLU 467 CO 0.40 -0.23 0.97 -1.59 0.02 0.00 0.00 175.26 174.82 1pk0 s LYS 468 N -3.85 0.46 0.24 1.61 -2.85 -1.26 -1.34 119.74 112.75 1pk0 s LYS 468 Ca 0.33 0.68 -0.21 0.00 -1.00 0.00 0.00 55.97 55.77 1pk0 s LYS 468 Cb 0.07 0.16 0.04 0.00 -2.06 0.00 0.00 37.83 36.04 1pk0 s LYS 468 CO 0.15 -0.08 0.67 -0.59 0.10 0.00 0.00 175.35 175.60 1pk0 s PHE 469 N 0.89 -0.30 0.00 1.78 -0.12 -1.26 -5.03 117.98 113.94 1pk0 s PHE 469 Ca -0.04 -0.08 0.00 0.00 -0.05 0.00 0.00 56.93 56.76 1pk0 s PHE 469 Cb -0.04 0.65 0.00 0.00 -0.63 0.00 0.00 43.02 42.99 1pk0 s PHE 469 CO -0.12 -1.10 0.00 -1.71 -0.05 0.00 0.00 175.22 172.24 1pk0 n ASN 470 N -0.43 0.00 -4.64 1.98 5.15 -1.26 -1.96 115.26 114.10 1pk0 n ASN 470 Ca -0.08 0.00 -0.51 0.00 -0.60 0.00 0.00 54.58 53.39 1pk0 n ASN 470 Cb 0.61 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.81 1pk0 n ASN 470 CO 0.00 0.00 0.00 0.79 1.40 0.00 0.00 177.26 179.45 1pk0 n TRP 471 N 0.00 1.92 -3.56 1.20 7.02 -1.26 -4.24 117.44 118.52 1pk0 n TRP 471 Ca 0.00 0.44 -0.14 0.00 -1.02 0.00 0.00 57.50 56.78 1pk0 n TRP 471 Cb 0.00 -2.45 -0.06 0.00 -2.42 0.00 0.00 31.31 26.38 1pk0 n TRP 471 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1pk0 s ARG 472 N 1.61 0.82 0.59 -0.99 1.70 -0.89 -4.94 118.95 116.86 1pk0 s ARG 472 Ca 0.87 0.28 -0.20 0.00 -0.47 0.00 0.00 55.73 56.21 1pk0 s ARG 472 Cb -0.87 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 33.86 1pk0 s ARG 472 CO 0.49 -0.24 1.27 0.09 -1.08 0.00 0.00 175.30 175.82 1pk0 n ASN 473 N 1.03 2.14 -4.45 -2.89 4.13 -1.26 -0.78 115.26 113.17 1pk0 n ASN 473 Ca -0.15 0.90 -0.44 0.00 1.68 0.00 0.00 54.58 56.58 1pk0 n ASN 473 Cb 0.57 -1.54 -0.07 0.00 -1.54 0.00 0.00 39.78 37.20 1pk0 n ASN 473 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1pk0 s ILE 474 N -1.36 4.99 0.33 2.41 1.01 -0.93 -4.80 121.20 122.86 1pk0 s ILE 474 Ca 0.76 -0.49 -0.16 0.00 0.00 0.00 0.00 60.65 60.76 1pk0 s ILE 474 Cb -0.41 -4.19 -0.09 0.00 0.01 0.00 0.00 42.46 37.78 1pk0 s ILE 474 CO 0.46 -0.64 0.75 -1.61 0.00 0.00 0.00 174.94 173.90 1pk0 s GLU 475 N 2.34 4.03 0.02 2.79 2.02 -1.26 -0.78 118.70 127.86 1pk0 s GLU 475 Ca 0.13 0.72 0.03 0.00 0.02 0.00 0.00 54.97 55.87 1pk0 s GLU 475 Cb -0.19 -2.43 -0.01 0.00 0.10 0.00 0.00 34.13 31.59 1pk0 s GLU 475 CO 0.12 0.15 -0.11 0.14 0.02 0.00 0.00 175.26 175.59 1pk0 s VAL 476 N -1.98 0.83 0.35 2.63 -7.23 0.93 -1.57 120.40 114.37 1pk0 s VAL 476 Ca 0.54 -0.71 -0.29 0.00 -1.81 0.00 0.00 61.98 59.72 1pk0 s VAL 476 Cb -0.10 -0.75 -0.11 0.00 0.56 0.00 0.00 36.38 35.98 1pk0 s VAL 476 CO 0.17 0.05 1.53 -0.04 -0.31 0.00 0.00 175.10 176.50 1pk0 s MET 477 N -0.74 4.10 0.08 4.82 1.00 0.84 -1.10 119.30 128.30 1pk0 s MET 477 Ca 0.01 2.59 -0.06 0.00 0.00 0.00 0.00 55.69 58.24 1pk0 s MET 477 Cb -0.06 -2.98 -0.02 0.00 0.00 0.00 0.00 34.83 31.77 1pk0 s MET 477 CO 0.00 -0.58 0.11 0.00 0.00 0.00 0.00 175.02 174.55 1pk0 s ALA 478 N -0.76 0.11 0.26 3.03 0.00 0.19 -1.79 121.76 122.80 1pk0 s ALA 478 Ca 0.56 -0.89 0.10 0.00 0.00 0.00 0.00 51.96 51.74 1pk0 s ALA 478 Cb -0.47 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 1pk0 s ALA 478 CO 0.59 -0.47 -0.06 -1.59 0.00 0.00 0.00 175.76 174.23 1pk0 s LYS 479 N -3.90 2.12 -0.17 0.00 -2.85 -0.19 -0.17 119.74 114.59 1pk0 s LYS 479 Ca 0.07 -1.49 -0.23 0.00 -1.00 0.00 0.00 55.97 53.32 1pk0 s LYS 479 Cb 0.06 -2.06 -0.02 0.00 -2.06 0.00 0.00 37.83 33.75 1pk0 s LYS 479 CO -0.09 0.36 0.74 1.21 0.10 0.00 0.00 175.35 177.67 1pk0 s ASN 480 N -3.56 6.85 -0.24 0.03 3.84 0.08 -0.99 114.94 120.96 1pk0 s ASN 480 Ca 0.30 1.04 -0.01 0.00 0.21 0.00 0.00 52.86 54.41 1pk0 s ASN 480 Cb -0.06 -2.41 0.07 0.00 -0.55 0.00 0.00 41.25 38.30 1pk0 s ASN 480 CO 0.18 -0.32 0.02 -0.69 -2.79 0.00 0.00 177.10 173.50 1pk0 s VAL 481 N 1.92 1.01 -1.32 -5.21 1.01 0.31 -4.82 120.40 113.30 1pk0 s VAL 481 Ca 0.34 -1.02 -0.03 0.00 0.00 0.00 0.00 61.98 61.27 1pk0 s VAL 481 Cb -0.16 -1.49 0.01 0.00 0.00 0.00 0.00 36.38 34.74 1pk0 s VAL 481 CO 0.12 -0.27 0.86 -0.62 0.00 0.00 0.00 175.10 175.19 1pk0 n GLU 482 N 4.85 -5.72 0.00 2.72 -0.58 -1.26 -1.11 120.64 119.54 1pk0 n GLU 482 Ca -0.08 0.69 0.00 0.00 -0.42 0.00 0.00 57.16 57.35 1pk0 n GLU 482 Cb 0.45 -5.46 0.00 0.00 -0.57 0.00 0.00 31.44 25.86 1pk0 n GLU 482 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1pk0 n GLY 483 N -1.53 2.53 3.73 0.62 0.00 -1.26 -4.98 105.19 104.30 1pk0 n GLY 483 Ca -0.21 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 1pk0 n GLY 483 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pk0 s VAL 484 N -2.30 4.50 -0.38 1.61 1.01 -0.27 -5.08 120.40 119.50 1pk0 s VAL 484 Ca 0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 61.98 61.45 1pk0 s VAL 484 Cb 0.00 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.42 1pk0 s VAL 484 CO 0.00 0.49 0.67 -0.22 0.00 0.00 0.00 175.10 176.04 1pk0 s LEU 485 N -1.27 4.28 -0.10 3.92 2.96 -1.26 0.11 118.68 127.32 1pk0 s LEU 485 Ca 0.17 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 54.15 1pk0 s LEU 485 Cb -0.12 -2.82 -0.02 0.00 0.50 0.00 0.00 46.19 43.73 1pk0 s LEU 485 CO 0.07 -0.67 -0.13 -0.54 -1.32 0.00 0.00 176.35 173.76 1pk0 s LYS 486 N 2.83 3.09 0.67 1.98 1.02 -0.16 -4.93 119.74 124.24 1pk0 s LYS 486 Ca 0.25 -0.67 -0.17 0.00 0.02 0.00 0.00 55.97 55.40 1pk0 s LYS 486 Cb -0.14 -2.57 -0.01 0.00 -0.52 0.00 0.00 37.83 34.59 1pk0 s LYS 486 CO 0.17 0.37 1.11 -0.35 -0.92 0.00 0.00 175.35 175.72 1pk0 n PRO 487 N 3.08 0.83 -4.09 -1.68 -0.04 -1.26 -1.02 135.00 130.81 1pk0 n PRO 487 Ca -0.18 0.34 -0.23 0.00 -0.04 0.00 0.00 63.50 63.39 1pk0 n PRO 487 Cb 0.53 -2.34 -0.06 0.00 -0.04 0.00 0.00 33.50 31.58 1pk0 n PRO 487 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pk0 s LEU 488 N -3.47 3.36 0.24 1.53 1.43 -0.74 -3.93 118.68 117.10 1pk0 s LEU 488 Ca 0.78 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 53.11 1pk0 s LEU 488 Cb -0.38 -1.87 -0.01 0.00 0.03 0.00 0.00 46.19 43.97 1pk0 s LEU 488 CO 0.45 -0.23 0.43 0.28 0.23 0.00 0.00 176.35 177.51 1pk0 s THR 489 N -2.36 0.00 0.54 5.49 -1.32 0.25 -3.79 115.64 114.45 1pk0 s THR 489 Ca 0.37 -1.47 -0.20 0.00 -1.21 0.00 0.00 61.69 59.18 1pk0 s THR 489 Cb -0.04 -2.22 -0.07 0.00 -1.51 0.00 0.00 72.50 68.66 1pk0 s THR 489 CO 0.23 -0.01 0.90 0.00 -2.21 0.00 0.00 174.62 173.53 1pk0 n ALA 490 N -0.36 -0.06 -3.69 11.08 0.00 -1.26 -1.63 120.51 124.59 1pk0 n ALA 490 Ca -0.01 0.07 -0.15 0.00 0.00 0.00 0.00 53.44 53.35 1pk0 n ALA 490 Cb 0.62 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 18.03 1pk0 n ALA 490 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1pk0 n ASP 491 N -0.11 1.91 -4.49 0.00 5.75 -1.26 -4.70 116.55 113.65 1pk0 n ASP 491 Ca 0.12 -2.00 -0.43 0.00 -0.01 0.00 0.00 54.79 52.47 1pk0 n ASP 491 Cb 0.45 -0.03 -0.09 0.00 -1.03 0.00 0.00 41.12 40.42 1pk0 n ASP 491 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 1pk0 s TYR 492 N -1.43 3.17 -0.27 2.11 2.02 0.12 -4.88 117.35 118.20 1pk0 s TYR 492 Ca 0.17 -0.36 -0.17 0.00 -0.37 0.00 0.00 57.07 56.33 1pk0 s TYR 492 Cb -0.01 -2.87 -0.03 0.00 -0.40 0.00 0.00 41.96 38.65 1pk0 s TYR 492 CO 0.11 -0.68 0.49 -0.51 -1.57 0.00 0.00 175.55 173.38 1pk0 s ASP 493 N 1.80 6.39 -0.06 2.29 1.11 -1.26 -4.47 116.67 122.46 1pk0 s ASP 493 Ca 0.12 0.43 -0.30 0.00 0.18 0.00 0.00 52.55 52.98 1pk0 s ASP 493 Cb -0.17 -2.27 -0.03 0.00 1.07 0.00 0.00 42.92 41.52 1pk0 s ASP 493 CO 0.13 -0.29 1.22 -0.76 1.18 0.00 0.00 175.17 176.65 1pk0 s LEU 494 N 2.28 4.27 0.04 1.23 1.43 -1.26 -0.56 118.68 126.11 1pk0 s LEU 494 Ca 0.20 1.82 -0.17 0.00 -1.03 0.00 0.00 54.13 54.94 1pk0 s LEU 494 Cb -0.16 -3.56 -0.20 0.00 0.03 0.00 0.00 46.19 42.31 1pk0 s LEU 494 CO 0.10 -0.61 1.20 0.15 0.23 0.00 0.00 176.35 177.42 1pk0 h PHE 495 N 7.56 0.75 -1.37 0.29 3.04 0.30 0.04 116.94 127.54 1pk0 h PHE 495 Ca -0.33 -0.36 0.14 0.00 3.98 0.00 0.00 57.97 61.39 1pk0 h PHE 495 Cb 1.16 -0.11 -0.26 0.00 2.56 0.00 0.00 35.95 39.30 1pk0 h PHE 495 CO 0.74 1.16 0.69 0.00 -2.02 0.00 0.00 178.31 178.87 1pk0 s ALA 496 N -3.53 -2.02 -0.26 2.41 0.00 -0.88 -3.15 121.76 114.34 1pk0 s ALA 496 Ca -0.12 1.72 -0.01 0.00 0.00 0.00 0.00 51.96 53.55 1pk0 s ALA 496 Cb 0.05 -1.14 0.03 0.00 0.00 0.00 0.00 23.12 22.07 1pk0 s ALA 496 CO 0.84 -0.26 -0.05 -0.51 0.00 0.00 0.00 175.76 175.78 1pk0 s LEU 497 N -0.80 3.36 -0.39 0.00 1.43 -1.26 -1.20 118.68 119.81 1pk0 s LEU 497 Ca 0.03 -1.01 -0.03 0.00 -1.03 0.00 0.00 54.13 52.08 1pk0 s LEU 497 Cb -0.02 -1.66 0.10 0.00 0.03 0.00 0.00 46.19 44.64 1pk0 s LEU 497 CO -0.04 -0.16 0.18 0.00 0.23 0.00 0.00 176.35 176.56 1pk0 s ALA 498 N 1.29 3.12 0.47 4.21 0.00 -0.43 -4.86 121.76 125.56 1pk0 s ALA 498 Ca -0.02 -2.38 -0.02 0.00 0.00 0.00 0.00 51.96 49.54 1pk0 s ALA 498 Cb -0.18 -2.37 -0.01 0.00 0.00 0.00 0.00 23.12 20.56 1pk0 s ALA 498 CO -0.04 -1.71 0.72 -1.25 0.00 0.00 0.00 175.76 173.48 1pk0 s PRO 499 N 1.19 3.20 0.33 0.00 0.04 -1.24 0.11 135.00 138.63 1pk0 s PRO 499 Ca 0.06 -0.22 -0.27 0.00 0.04 0.00 0.00 61.00 60.61 1pk0 s PRO 499 Cb -0.22 -2.48 -0.09 0.00 0.04 0.00 0.00 34.50 31.75 1pk0 s PRO 499 CO -0.03 -0.28 1.03 0.45 0.04 0.00 0.00 177.00 178.21 1pk0 s SER 500 N -4.18 7.11 0.27 6.66 0.15 -0.85 0.13 113.70 122.98 1pk0 s SER 500 Ca 0.48 2.06 -0.01 0.00 0.70 0.00 0.00 55.95 59.18 1pk0 s SER 500 Cb -0.10 -2.60 0.57 0.00 -1.71 0.00 0.00 66.02 62.18 1pk0 s SER 500 CO 0.40 -0.24 1.73 -0.07 1.20 0.00 0.00 173.24 176.26 1pk0 h LEU 501 N 3.17 0.37 0.02 3.45 3.38 -1.88 -0.11 115.31 123.71 1pk0 h LEU 501 Ca -0.47 0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.64 1pk0 h LEU 501 Cb 1.21 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.01 1pk0 h LEU 501 CO 0.65 0.11 -0.15 0.71 0.09 0.00 0.00 178.44 179.84 1pk0 h THR 502 N 0.49 0.63 -0.99 0.22 1.35 -1.91 -0.15 112.91 112.54 1pk0 h THR 502 Ca 0.48 0.00 0.26 0.00 -0.55 0.00 0.00 66.41 66.60 1pk0 h THR 502 Cb 0.78 0.63 -0.06 0.00 -1.73 0.00 0.00 68.15 67.76 1pk0 h THR 502 CO -0.43 0.00 0.68 -0.08 -0.25 0.00 0.00 175.52 175.43 1pk0 h GLU 503 N -0.27 0.22 -0.23 4.72 4.57 -1.38 0.77 114.58 122.98 1pk0 h GLU 503 Ca 0.05 -0.01 -0.15 0.00 -1.18 0.00 0.00 59.36 58.06 1pk0 h GLU 503 Cb 0.32 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1pk0 h GLU 503 CO -0.14 0.14 -0.48 0.82 -1.18 0.00 0.00 179.01 178.17 1pk0 h ILE 504 N 0.23 1.31 -0.54 2.32 1.08 -0.31 -3.06 117.51 118.54 1pk0 h ILE 504 Ca 0.51 -1.69 0.10 0.00 -0.39 0.00 0.00 64.86 63.39 1pk0 h ILE 504 Cb 1.61 1.65 -0.08 0.00 -3.07 0.00 0.00 36.82 36.92 1pk0 h ILE 504 CO -0.14 0.53 0.06 0.50 -0.69 0.00 0.00 178.15 178.41 1pk0 h LYS 505 N 0.49 0.18 0.00 2.37 1.63 0.15 0.31 116.57 121.69 1pk0 h LYS 505 Ca 0.02 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1pk0 h LYS 505 Cb 1.02 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.61 1pk0 h LYS 505 CO 0.10 0.12 0.19 1.63 -3.45 0.00 0.00 179.45 178.03 1pk0 n LYS 506 N -5.18 0.10 0.03 1.90 5.02 -1.01 0.32 118.16 119.34 1pk0 n LYS 506 Ca 0.07 0.58 -0.08 0.00 -2.02 0.00 0.00 58.31 56.86 1pk0 n LYS 506 Cb 0.29 -2.01 -0.13 0.00 -0.02 0.00 0.00 35.03 33.15 1pk0 n LYS 506 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1pk0 h GLN 507 N 0.00 0.00 -6.47 1.97 5.75 -0.49 -3.45 115.11 112.42 1pk0 h GLN 507 Ca 0.00 -0.00 -0.53 0.00 -0.15 0.00 0.00 58.65 57.96 1pk0 h GLN 507 Cb 0.38 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.92 1pk0 h GLN 507 CO 0.00 0.80 0.51 0.42 -2.65 0.00 0.00 178.83 177.91 1pk0 s ILE 508 N -2.67 4.22 0.06 2.39 1.01 0.15 -4.98 121.20 121.39 1pk0 s ILE 508 Ca -0.01 1.61 -0.31 0.00 0.00 0.00 0.00 60.65 61.94 1pk0 s ILE 508 Cb 0.09 -4.03 -0.08 0.00 0.01 0.00 0.00 42.46 38.45 1pk0 s ILE 508 CO 0.82 0.13 1.64 -2.16 0.00 0.00 0.00 174.94 175.38 1pk0 s PRO 509 N 0.97 4.20 0.12 2.79 0.04 -1.26 -4.95 135.00 136.92 1pk0 s PRO 509 Ca 0.57 2.31 -0.27 0.00 0.04 0.00 0.00 61.00 63.65 1pk0 s PRO 509 Cb -0.27 -3.60 -0.08 0.00 0.04 0.00 0.00 34.50 30.59 1pk0 s PRO 509 CO 0.29 -0.73 1.45 0.37 0.04 0.00 0.00 177.00 178.43 1pk0 h GLN 510 N 8.31 -0.20 0.00 4.56 5.75 -1.93 -2.24 115.11 129.36 1pk0 h GLN 510 Ca -0.42 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.09 1pk0 h GLN 510 Cb 1.20 0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.79 1pk0 h GLN 510 CO 0.93 -0.13 0.00 0.36 -2.65 0.00 0.00 178.83 177.34 1pk0 n LYS 511 N -4.91 0.16 0.25 1.69 2.85 -1.26 -3.30 118.16 113.64 1pk0 n LYS 511 Ca -0.01 0.29 0.14 0.00 -1.05 0.00 0.00 58.31 57.69 1pk0 n LYS 511 Cb 0.26 -1.75 0.55 0.00 -0.65 0.00 0.00 35.03 33.44 1pk0 n LYS 511 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1pk0 h GLU 512 N 0.00 0.00 0.13 -1.58 4.81 -1.80 -2.60 114.58 113.54 1pk0 h GLU 512 Ca 0.00 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.91 1pk0 h GLU 512 Cb 0.46 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.83 1pk0 h GLU 512 CO 0.00 0.07 -1.68 2.35 -0.73 0.00 0.00 179.01 179.02 1pk0 h TRP 513 N 0.00 0.51 -0.59 0.92 7.01 -1.49 -3.34 115.95 118.98 1pk0 h TRP 513 Ca -0.00 -0.37 0.04 0.00 2.11 0.00 0.00 58.89 60.67 1pk0 h TRP 513 Cb 0.64 -0.02 -0.03 0.00 -2.10 0.00 0.00 29.16 27.65 1pk0 h TRP 513 CO 0.00 1.66 0.39 -0.44 -2.79 0.00 0.00 178.44 177.26 1pk0 h ASP 514 N -0.12 0.57 0.00 2.65 5.19 -1.51 0.57 116.42 123.77 1pk0 h ASP 514 Ca -0.36 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.05 1pk0 h ASP 514 Cb 1.91 -0.13 0.00 0.00 0.18 0.00 0.00 39.33 41.29 1pk0 h ASP 514 CO 0.09 0.39 0.00 1.17 -3.12 0.00 0.00 179.24 177.76 1pk0 n LYS 515 N -4.47 0.32 0.09 3.56 4.81 -1.00 -0.82 118.16 120.65 1pk0 n LYS 515 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 1pk0 n LYS 515 Cb 0.16 -1.15 0.00 0.00 0.02 0.00 0.00 35.03 34.06 1pk0 n LYS 515 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 1pk0 n VAL 516 N -0.65 0.78 -0.39 3.15 0.31 -0.03 -4.79 118.33 116.71 1pk0 n VAL 516 Ca 0.02 0.26 -0.05 0.00 -0.01 0.00 0.00 64.34 64.56 1pk0 n VAL 516 Cb 0.01 -1.18 -0.01 0.00 -0.91 0.00 0.00 33.84 31.75 1pk0 n VAL 516 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1pk0 h VAL 517 N 0.00 0.00 -1.64 2.52 2.07 -0.84 -2.60 116.25 115.76 1pk0 h VAL 517 Ca 0.00 0.00 -0.72 0.00 0.82 0.00 0.00 66.70 66.80 1pk0 h VAL 517 Cb 0.00 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.64 1pk0 h VAL 517 CO 0.00 0.00 1.71 0.59 0.02 0.00 0.00 177.57 179.89 1pk0 n ASN 518 N -5.39 5.10 -3.65 0.57 5.03 -0.00 -4.89 115.26 112.03 1pk0 n ASN 518 Ca 0.07 -2.96 -0.16 0.00 0.87 0.00 0.00 54.58 52.41 1pk0 n ASN 518 Cb 0.35 -1.64 -0.14 0.00 -1.02 0.00 0.00 39.78 37.33 1pk0 n ASN 518 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1pk0 s THR 519 N 2.59 -0.33 0.17 3.41 2.01 -0.98 -4.78 115.64 117.72 1pk0 s THR 519 Ca 0.47 0.27 -0.26 0.00 0.31 0.00 0.00 61.69 62.48 1pk0 s THR 519 Cb 0.00 -0.40 0.03 0.00 0.01 0.00 0.00 72.50 72.15 1pk0 s THR 519 CO 0.03 0.10 1.56 -0.65 -0.69 0.00 0.00 174.62 174.97 1pk0 h PRO 520 N 8.33 -0.19 -6.70 4.92 0.11 -1.90 -3.42 132.00 133.14 1pk0 h PRO 520 Ca -0.14 0.01 -0.51 0.00 0.11 0.00 0.00 66.00 65.48 1pk0 h PRO 520 Cb 1.12 0.04 0.22 0.00 0.11 0.00 0.00 31.00 32.50 1pk0 h PRO 520 CO 0.15 -0.13 -0.82 -1.71 -0.21 0.00 0.00 178.00 175.28 1pk0 n ASN 521 N -5.40 -2.38 -0.02 -2.05 4.05 -1.26 -4.98 115.26 103.22 1pk0 n ASN 521 Ca 0.02 0.18 -0.04 0.00 0.45 0.00 0.00 54.58 55.19 1pk0 n ASN 521 Cb 0.34 -1.10 -0.02 0.00 1.23 0.00 0.00 39.78 40.24 1pk0 n ASN 521 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1pk0 n SER 522 N -1.13 2.64 0.37 1.20 3.41 -1.26 -4.54 113.62 114.31 1pk0 n SER 522 Ca 0.04 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.51 1pk0 n SER 522 Cb 0.57 -0.09 -0.07 0.00 -0.26 0.00 0.00 64.21 64.35 1pk0 n SER 522 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1pk0 h LEU 523 N -0.05 -0.81 0.00 1.04 5.85 -1.97 -1.40 115.31 117.97 1pk0 h LEU 523 Ca -0.11 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.64 1pk0 h LEU 523 Cb 1.14 0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1pk0 h LEU 523 CO -0.03 -0.49 0.00 -0.62 -0.34 0.00 0.00 178.44 176.96 1pk0 n GLU 524 N -5.06 0.15 -0.06 1.25 4.71 -1.26 -2.33 120.64 118.03 1pk0 n GLU 524 Ca -0.12 0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 56.98 1pk0 n GLU 524 Cb 0.38 -1.48 -0.02 0.00 -1.01 0.00 0.00 31.44 29.31 1pk0 n GLU 524 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1pk0 n LYS 525 N -0.98 0.39 0.32 3.49 4.81 -1.02 -3.41 118.16 121.76 1pk0 n LYS 525 Ca 0.03 0.35 0.09 0.00 -0.87 0.00 0.00 58.31 57.92 1pk0 n LYS 525 Cb 0.02 -1.41 0.48 0.00 0.02 0.00 0.00 35.03 34.14 1pk0 n LYS 525 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1pk0 h GLN 526 N -0.81 0.00 0.00 1.64 4.15 -0.86 0.51 115.11 119.75 1pk0 h GLN 526 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1pk0 h GLN 526 Cb 0.58 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.27 1pk0 h GLN 526 CO 0.00 0.00 -0.07 -0.22 -1.93 0.00 0.00 178.83 176.61 1pk0 h LYS 527 N 0.00 0.00 -0.03 1.69 3.64 -1.64 -3.05 116.57 117.18 1pk0 h LYS 527 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1pk0 h LYS 527 Cb 1.14 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1pk0 h LYS 527 CO 0.00 0.00 0.04 0.78 -2.27 0.00 0.00 179.45 178.00 1pk0 h GLY 528 N -0.81 0.00 1.45 5.01 0.00 -0.53 0.43 103.07 108.62 1pk0 h GLY 528 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 1pk0 h GLY 528 CO 0.00 0.00 -0.79 -0.24 0.00 0.00 0.00 176.54 175.51 1pk0 h VAL 529 N 0.00 1.35 -0.04 4.60 3.04 -0.30 -2.01 116.25 122.89 1pk0 h VAL 529 Ca 0.01 -2.15 -0.04 0.00 -1.01 0.00 0.00 66.70 63.51 1pk0 h VAL 529 Cb 0.09 2.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.51 1pk0 h VAL 529 CO -0.00 0.65 -0.15 0.74 -1.01 0.00 0.00 177.57 177.81 1pk0 h THR 530 N 0.35 1.46 -0.00 3.17 2.02 -0.58 -2.72 112.91 116.61 1pk0 h THR 530 Ca -0.05 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.56 1pk0 h THR 530 Cb 1.40 2.38 -0.00 0.00 -1.74 0.00 0.00 68.15 70.19 1pk0 h THR 530 CO 0.15 0.43 0.01 -1.13 0.37 0.00 0.00 175.52 175.35 1pk0 h ASN 531 N -0.38 0.00 1.26 4.18 -0.73 -0.35 0.80 115.58 120.37 1pk0 h ASN 531 Ca -0.01 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.03 1pk0 h ASN 531 Cb 0.78 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.35 1pk0 h ASN 531 CO 0.03 0.00 -0.76 -0.07 -0.37 0.00 0.00 177.43 176.26 1pk0 h LEU 532 N 0.00 0.00 0.08 0.34 3.38 -1.20 -2.39 115.31 115.51 1pk0 h LEU 532 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pk0 h LEU 532 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1pk0 h LEU 532 CO -0.00 0.60 -0.04 0.25 0.09 0.00 0.00 178.44 179.34 1pk0 h LEU 533 N 0.00 -0.09 0.00 1.67 5.85 -0.60 -3.13 115.31 119.02 1pk0 h LEU 533 Ca -0.04 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.19 1pk0 h LEU 533 Cb 1.49 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.54 1pk0 h LEU 533 CO 0.07 0.49 0.00 -0.38 -0.34 0.00 0.00 178.44 178.28 1pk0 n ILE 534 N -4.86 0.00 -0.34 4.05 5.41 -0.32 0.18 119.36 123.47 1pk0 n ILE 534 Ca -0.08 1.33 -0.01 0.00 1.00 0.00 0.00 62.75 64.99 1pk0 n ILE 534 Cb 0.29 -2.09 0.04 0.00 -0.71 0.00 0.00 39.64 37.17 1pk0 n ILE 534 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1pk0 n LYS 535 N -1.90 -0.21 0.06 0.38 3.00 -0.90 -0.13 118.16 118.46 1pk0 n LYS 535 Ca 0.00 1.38 0.08 0.00 -0.00 0.00 0.00 58.31 59.77 1pk0 n LYS 535 Cb 0.00 -2.04 -0.06 0.00 0.00 0.00 0.00 35.03 32.93 1pk0 n LYS 535 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1pk0 n TYR 536 N -5.32 0.77 -0.05 5.64 4.01 -1.18 -4.49 117.16 116.54 1pk0 n TYR 536 Ca 0.09 0.23 -0.10 0.00 -0.16 0.00 0.00 57.90 57.97 1pk0 n TYR 536 Cb 0.36 -0.91 -0.03 0.00 -0.31 0.00 0.00 39.34 38.45 1pk0 n TYR 536 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pk0 n GLY 537 N 1.26 -0.33 0.09 2.72 0.00 0.47 -4.69 105.19 104.70 1pk0 n GLY 537 Ca -0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 1pk0 n GLY 537 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pk0 h ILE 538 N -0.63 0.21 -2.05 -0.61 2.04 0.04 -3.48 117.51 113.03 1pk0 h ILE 538 Ca -0.13 -1.07 -0.62 0.00 1.00 0.00 0.00 64.86 64.03 1pk0 h ILE 538 Cb 0.86 0.39 0.11 0.00 -0.74 0.00 0.00 36.82 37.45 1pk0 h ILE 538 CO -0.08 0.07 -0.08 1.21 0.00 0.00 0.00 178.15 179.27 1pk0 n GLU 539 N -4.83 0.94 -4.22 2.37 2.13 -0.33 -4.95 120.64 111.75 1pk0 n GLU 539 Ca -0.02 0.33 -0.15 0.00 0.66 0.00 0.00 57.16 57.98 1pk0 n GLU 539 Cb 0.09 -1.59 -0.11 0.00 0.27 0.00 0.00 31.44 30.11 1pk0 n GLU 539 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1pk0 s ARG 540 N -1.40 0.96 0.01 5.31 0.52 -1.26 -4.56 118.95 118.52 1pk0 s ARG 540 Ca 0.60 -1.29 -0.03 0.00 -0.52 0.00 0.00 55.73 54.49 1pk0 s ARG 540 Cb -0.76 -0.62 -0.01 0.00 0.52 0.00 0.00 34.95 34.08 1pk0 s ARG 540 CO 0.59 0.09 0.05 0.15 0.02 0.00 0.00 175.30 176.19 1pk0 s LYS 541 N -3.18 0.34 -0.47 3.54 1.02 -0.20 -4.93 119.74 115.85 1pk0 s LYS 541 Ca 0.11 -0.43 -0.28 0.00 0.02 0.00 0.00 55.97 55.40 1pk0 s LYS 541 Cb -0.01 0.13 -0.02 0.00 -0.52 0.00 0.00 37.83 37.42 1pk0 s LYS 541 CO 0.01 -0.07 1.78 -1.25 -0.92 0.00 0.00 175.35 174.90 1pk0 s PRO 542 N -1.21 3.03 0.72 -1.68 0.04 -1.26 -2.67 135.00 131.97 1pk0 s PRO 542 Ca -0.13 0.98 -0.11 0.00 0.04 0.00 0.00 61.00 61.78 1pk0 s PRO 542 Cb -0.08 -4.27 0.02 0.00 0.04 0.00 0.00 34.50 30.22 1pk0 s PRO 542 CO 0.00 -2.23 1.10 0.34 0.04 0.00 0.00 177.00 176.25 1pk0 s ASP 543 N 6.76 5.31 0.05 6.66 2.15 0.44 -4.95 116.67 133.09 1pk0 s ASP 543 Ca 0.72 1.14 -0.23 0.00 0.43 0.00 0.00 52.55 54.60 1pk0 s ASP 543 Cb -0.17 -1.92 -0.12 0.00 -0.30 0.00 0.00 42.92 40.42 1pk0 s ASP 543 CO 0.27 -1.43 1.36 0.77 -0.17 0.00 0.00 175.17 175.98 1pk0 h SER 544 N -0.72 -0.86 -0.00 -0.34 4.64 -1.94 -3.32 113.55 111.01 1pk0 h SER 544 Ca -0.45 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1pk0 h SER 544 Cb 1.26 0.27 0.00 0.00 -0.31 0.00 0.00 62.40 63.62 1pk0 h SER 544 CO 0.63 -0.46 -0.23 0.35 -0.87 0.00 0.00 176.83 176.26 1pk0 n THR 545 N -4.36 0.00 0.17 2.95 -2.24 -1.26 -4.52 114.28 105.02 1pk0 n THR 545 Ca -0.09 -0.39 0.08 0.00 -2.27 0.00 0.00 64.05 61.39 1pk0 n THR 545 Cb 0.31 1.05 0.25 0.00 -2.10 0.00 0.00 70.33 69.84 1pk0 n THR 545 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pk0 n LYS 546 N -0.67 2.54 0.00 -0.78 5.02 -1.26 -4.41 118.16 118.60 1pk0 n LYS 546 Ca 0.02 -1.99 0.00 0.00 -2.02 0.00 0.00 58.31 54.32 1pk0 n LYS 546 Cb 0.14 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.61 1pk0 n LYS 546 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1pk0 n GLY 547 N 1.18 0.46 3.50 0.72 0.00 -1.25 0.14 105.19 109.94 1pk0 n GLY 547 Ca 0.18 -0.87 -0.43 0.00 0.00 0.00 0.00 46.02 44.90 1pk0 n GLY 547 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1pk0 s THR 548 N 0.00 4.94 0.25 2.61 2.01 -1.26 -0.42 115.64 123.76 1pk0 s THR 548 Ca 0.00 -0.08 -0.02 0.00 0.31 0.00 0.00 61.69 61.89 1pk0 s THR 548 Cb 0.00 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.35 1pk0 s THR 548 CO 0.00 -0.52 0.27 -1.48 -0.69 0.00 0.00 174.62 172.20 1pk0 s LEU 549 N 2.53 1.05 0.00 4.42 0.05 -1.09 -4.32 118.68 121.31 1pk0 s LEU 549 Ca 0.18 -1.36 0.00 0.00 0.05 0.00 0.00 54.13 53.00 1pk0 s LEU 549 Cb -0.15 0.85 0.05 0.00 -2.05 0.00 0.00 46.19 44.88 1pk0 s LEU 549 CO 0.17 -1.00 0.32 -1.54 -0.55 0.00 0.00 176.35 173.75 1pk0 n SER 550 N -0.65 0.45 0.04 1.48 3.41 -1.26 -1.04 113.62 116.05 1pk0 n SER 550 Ca 0.02 -1.37 -0.21 0.00 -0.26 0.00 0.00 58.87 57.04 1pk0 n SER 550 Cb 0.64 -0.21 -0.14 0.00 -0.26 0.00 0.00 64.21 64.24 1pk0 n SER 550 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 1pk0 h ASN 551 N -0.18 0.46 -0.62 4.04 2.35 -1.91 -2.68 115.58 117.05 1pk0 h ASN 551 Ca -0.11 -0.90 -0.03 0.00 -0.55 0.00 0.00 56.30 54.72 1pk0 h ASN 551 Cb 0.40 -0.15 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 1pk0 h ASN 551 CO 0.12 1.54 0.30 4.11 -1.65 0.00 0.00 177.43 181.85 1pk0 h TRP 552 N -0.28 0.92 -0.96 1.19 5.08 -1.93 -1.25 115.95 118.72 1pk0 h TRP 552 Ca -0.24 -0.04 0.01 0.00 1.08 0.00 0.00 58.89 59.71 1pk0 h TRP 552 Cb 1.76 -0.29 -0.05 0.00 -3.00 0.00 0.00 29.16 27.58 1pk0 h TRP 552 CO 0.15 0.68 0.64 1.96 -1.28 0.00 0.00 178.44 180.60 1pk0 h GLN 553 N 0.92 1.26 -0.46 0.12 4.20 -1.96 -0.25 115.11 118.95 1pk0 h GLN 553 Ca 0.22 -0.08 0.05 0.00 0.06 0.00 0.00 58.65 58.91 1pk0 h GLN 553 Cb 0.12 -0.28 -0.05 0.00 0.30 0.00 0.00 27.48 27.57 1pk0 h GLN 553 CO -0.03 0.84 0.20 0.87 -0.67 0.00 0.00 178.83 180.04 1pk0 h LYS 554 N 1.30 0.39 0.80 1.46 1.57 -0.88 0.32 116.57 121.53 1pk0 h LYS 554 Ca 0.36 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 59.07 1pk0 h LYS 554 Cb -0.14 -0.09 0.01 0.00 0.08 0.00 0.00 32.23 32.09 1pk0 h LYS 554 CO -0.08 0.26 -0.38 1.96 -0.57 0.00 0.00 179.45 180.63 1pk0 h GLN 555 N 0.40 -1.03 -1.05 3.15 4.20 -0.85 -2.19 115.11 117.74 1pk0 h GLN 555 Ca 0.21 0.07 0.33 0.00 0.06 0.00 0.00 58.65 59.32 1pk0 h GLN 555 Cb 0.16 0.23 -0.14 0.00 0.30 0.00 0.00 27.48 28.04 1pk0 h GLN 555 CO -0.18 -0.69 0.62 1.98 -0.67 0.00 0.00 178.83 179.90 1pk0 h MET 556 N -1.09 0.30 0.66 1.46 4.05 -0.87 0.41 114.93 119.84 1pk0 h MET 556 Ca -0.11 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.27 1pk0 h MET 556 Cb 0.82 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.55 1pk0 h MET 556 CO 0.18 0.20 -0.41 1.25 0.23 0.00 0.00 176.91 178.35 1pk0 h LEU 557 N 0.30 -1.04 -1.18 3.39 5.85 0.03 -2.17 115.31 120.49 1pk0 h LEU 557 Ca 0.73 0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.62 1pk0 h LEU 557 Cb 1.78 0.31 -0.07 0.00 0.37 0.00 0.00 40.66 43.05 1pk0 h LEU 557 CO -0.54 -0.64 0.59 0.44 -0.34 0.00 0.00 178.44 177.95 1pk0 h ASP 558 N -1.01 0.79 -0.68 1.25 3.32 0.37 -0.45 116.42 120.01 1pk0 h ASP 558 Ca -0.08 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.01 1pk0 h ASP 558 Cb 0.82 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.20 1pk0 h ASP 558 CO 0.08 0.45 0.44 0.03 -1.72 0.00 0.00 179.24 178.52 1pk0 h ARG 559 N 0.87 0.87 -0.19 3.56 2.47 -0.89 0.11 114.38 121.18 1pk0 h ARG 559 Ca 0.44 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 59.11 1pk0 h ARG 559 Cb 0.49 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.60 1pk0 h ARG 559 CO -0.20 0.57 0.12 -0.07 0.56 0.00 0.00 179.97 180.96 1pk0 h LEU 560 N 0.89 0.22 -1.02 3.04 3.38 -0.46 0.33 115.31 121.68 1pk0 h LEU 560 Ca 0.26 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.12 1pk0 h LEU 560 Cb -0.06 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1pk0 h LEU 560 CO -0.07 0.16 -0.30 0.78 0.09 0.00 0.00 178.44 179.10 1pk0 h ASN 561 N 0.25 0.33 0.68 -0.43 2.35 -1.06 -2.66 115.58 115.03 1pk0 h ASN 561 Ca 0.07 -0.11 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1pk0 h ASN 561 Cb -0.02 -0.09 0.01 0.00 0.05 0.00 0.00 38.32 38.27 1pk0 h ASN 561 CO -0.01 0.62 -0.33 -0.33 -1.65 0.00 0.00 177.43 175.73 1pk0 h GLU 562 N 0.28 -0.89 -0.82 0.81 5.08 -0.11 -2.64 114.58 116.30 1pk0 h GLU 562 Ca 0.04 0.06 0.14 0.00 -1.00 0.00 0.00 59.36 58.60 1pk0 h GLU 562 Cb 0.68 0.20 -0.15 0.00 0.50 0.00 0.00 28.75 29.99 1pk0 h GLU 562 CO 0.05 -0.57 -0.31 0.00 -1.00 0.00 0.00 179.01 177.18 1pk0 h ALA 563 N -0.75 0.23 0.00 3.43 0.00 -0.15 0.18 119.26 122.20 1pk0 h ALA 563 Ca -0.09 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1pk0 h ALA 563 Cb 0.73 0.82 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1pk0 h ALA 563 CO 0.15 -0.57 -0.11 -0.39 0.00 0.00 0.00 179.25 178.34 1pk0 h VAL 564 N -0.05 0.31 0.00 0.00 -1.51 -1.44 -2.44 116.25 111.12 1pk0 h VAL 564 Ca 0.33 -0.71 -0.14 0.00 -1.23 0.00 0.00 66.70 64.95 1pk0 h VAL 564 Cb 0.59 1.54 -0.02 0.00 -2.13 0.00 0.00 31.29 31.27 1pk0 h VAL 564 CO -0.85 0.10 -0.69 0.11 -1.23 0.00 0.00 177.57 175.01 1pk0 h LYS 565 N 0.00 0.00 0.00 5.19 1.57 -0.29 -2.27 116.57 120.77 1pk0 h LYS 565 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1pk0 h LYS 565 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 1pk0 h LYS 565 CO 0.01 0.69 -0.32 -0.92 -0.57 0.00 0.00 179.45 178.35 1pk0 h TYR 566 N 0.00 0.00 0.00 -1.35 3.20 -0.85 -1.90 116.97 116.07 1pk0 h TYR 566 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1pk0 h TYR 566 Cb 1.37 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.64 1pk0 h TYR 566 CO 0.00 0.32 0.00 0.25 -1.64 0.00 0.00 178.16 177.09 1pk0 n THR 567 N -3.82 0.60 0.00 1.81 -2.24 -1.04 -4.92 114.28 104.67 1pk0 n THR 567 Ca -0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1pk0 n THR 567 Cb 0.40 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.00 1pk0 n THR 567 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pk0 n GLY 568 N 1.22 1.44 3.58 3.38 0.00 -0.71 -5.07 105.19 109.03 1pk0 n GLY 568 Ca 0.05 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.59 1pk0 n GLY 568 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1pk0 n TYR 569 N 0.00 1.98 0.38 1.61 9.36 -0.88 -4.81 117.16 124.80 1pk0 n TYR 569 Ca 0.00 0.08 0.10 0.00 3.32 0.00 0.00 57.90 61.41 1pk0 n TYR 569 Cb 0.00 -2.63 0.16 0.00 -0.63 0.00 0.00 39.34 36.25 1pk0 n TYR 569 CO 0.00 0.00 0.00 0.25 0.22 0.00 0.00 176.86 177.33 1pk0 n THR 570 N 6.43 0.40 0.24 2.97 -2.24 -1.26 -4.45 114.28 116.37 1pk0 n THR 570 Ca 0.31 -0.70 0.13 0.00 -2.27 0.00 0.00 64.05 61.52 1pk0 n THR 570 Cb 0.30 1.05 0.36 0.00 -2.10 0.00 0.00 70.33 69.94 1pk0 n THR 570 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1pk0 h GLY 571 N 3.86 0.00 0.00 3.38 0.00 -1.84 -3.50 103.07 104.98 1pk0 h GLY 571 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1pk0 h GLY 571 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1pk0 n GLY 572 N 0.68 0.09 3.83 4.60 0.00 -1.26 -4.53 105.19 108.60 1pk0 n GLY 572 Ca 0.02 -1.55 -0.34 0.00 0.00 0.00 0.00 46.02 44.16 1pk0 n GLY 572 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pk0 s ASP 573 N -4.00 6.90 -0.02 1.61 1.01 -1.26 -4.91 116.67 116.00 1pk0 s ASP 573 Ca 0.00 1.41 0.10 0.00 0.71 0.00 0.00 52.55 54.76 1pk0 s ASP 573 Cb 0.00 -2.42 -0.15 0.00 1.01 0.00 0.00 42.92 41.36 1pk0 s ASP 573 CO 0.00 -0.16 0.20 0.55 0.21 0.00 0.00 175.17 175.97 1pk0 n VAL 574 N -0.07 0.05 -4.09 -1.27 3.14 -1.26 -4.22 118.33 110.61 1pk0 n VAL 574 Ca 0.02 -0.23 -0.33 0.00 -2.96 0.00 0.00 64.34 60.84 1pk0 n VAL 574 Cb 0.53 0.20 -0.16 0.00 -1.06 0.00 0.00 33.84 33.35 1pk0 n VAL 574 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1pk0 s VAL 575 N -2.63 2.27 -0.60 1.55 1.01 -1.26 0.14 120.40 120.87 1pk0 s VAL 575 Ca -0.04 -0.88 0.07 0.00 0.00 0.00 0.00 61.98 61.14 1pk0 s VAL 575 Cb 0.06 -1.97 0.19 0.00 0.00 0.00 0.00 36.38 34.65 1pk0 s VAL 575 CO 0.40 0.52 1.14 0.59 0.00 0.00 0.00 175.10 177.74 1pk0 n ASN 576 N 4.65 2.53 -3.76 3.32 3.02 -1.26 -4.93 115.26 118.83 1pk0 n ASN 576 Ca -0.20 -1.96 0.03 0.00 -0.03 0.00 0.00 54.58 52.41 1pk0 n ASN 576 Cb 0.50 -0.14 0.01 0.00 -0.61 0.00 0.00 39.78 39.54 1pk0 n ASN 576 CO 0.00 0.00 0.00 -1.38 -2.62 0.00 0.00 177.26 173.26 1pk0 s HIS 577 N -0.98 0.00 0.69 3.10 -3.43 -1.26 -4.47 115.29 108.94 1pk0 s HIS 577 Ca 0.14 -0.09 -0.09 0.00 -0.80 0.00 0.00 55.06 54.21 1pk0 s HIS 577 Cb 0.08 0.54 -0.04 0.00 -1.43 0.00 0.00 32.58 31.73 1pk0 s HIS 577 CO 0.10 -0.22 -0.42 0.41 -2.00 0.00 0.00 174.74 172.61 1pk0 n GLY 578 N -0.76 -1.71 4.01 -1.38 0.00 0.36 -4.82 105.19 100.89 1pk0 n GLY 578 Ca -0.01 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 1pk0 n GLY 578 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pk0 s THR 579 N -2.01 2.03 0.13 2.61 -4.23 -1.26 -4.71 115.64 108.20 1pk0 s THR 579 Ca 0.14 -0.74 -0.12 0.00 -1.18 0.00 0.00 61.69 59.79 1pk0 s THR 579 Cb 0.02 -2.29 -0.06 0.00 1.34 0.00 0.00 72.50 71.51 1pk0 s THR 579 CO 0.22 0.00 1.45 -0.08 -0.54 0.00 0.00 174.62 175.67 1pk0 h GLU 580 N -0.36 0.89 0.00 3.99 4.57 -0.98 -3.17 114.58 119.52 1pk0 h GLU 580 Ca -0.33 -0.50 0.00 0.00 -1.18 0.00 0.00 59.36 57.36 1pk0 h GLU 580 Cb 1.27 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 1pk0 h GLU 580 CO 0.38 1.15 0.02 1.04 -1.18 0.00 0.00 179.01 180.42 1pk0 n GLN 581 N -4.07 0.00 -0.01 1.92 1.13 -1.19 0.86 117.38 116.01 1pk0 n GLN 581 Ca -0.03 0.14 0.01 0.00 -1.94 0.00 0.00 57.00 55.18 1pk0 n GLN 581 Cb 0.56 -1.52 0.01 0.00 0.11 0.00 0.00 30.24 29.41 1pk0 n GLN 581 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1pk0 n ASP 582 N -1.09 1.46 -4.13 1.08 8.00 -1.20 -3.32 116.55 117.35 1pk0 n ASP 582 Ca 0.00 -1.35 -0.43 0.00 0.71 0.00 0.00 54.79 53.72 1pk0 n ASP 582 Cb 0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 1pk0 n ASP 582 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1pk0 n ASN 583 N -0.00 5.13 0.19 -2.24 5.15 0.25 -4.77 115.26 118.97 1pk0 n ASN 583 Ca 0.02 -3.05 0.08 0.00 -0.60 0.00 0.00 54.58 51.03 1pk0 n ASN 583 Cb 0.12 -1.52 0.18 0.00 -0.53 0.00 0.00 39.78 38.02 1pk0 n ASN 583 CO 0.00 0.00 0.00 -0.33 1.40 0.00 0.00 177.26 178.33 1pk0 h GLU 584 N 6.36 0.00 0.14 1.20 5.08 -1.86 -3.27 114.58 122.23 1pk0 h GLU 584 Ca 0.37 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.40 1pk0 h GLU 584 Cb 0.74 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.98 1pk0 h GLU 584 CO 1.46 0.24 -1.61 0.93 -1.00 0.00 0.00 179.01 179.03 1pk0 h GLU 585 N 0.00 0.29 -2.06 2.33 5.08 -1.97 -3.40 114.58 114.85 1pk0 h GLU 585 Ca -0.00 -0.50 -0.57 0.00 -1.00 0.00 0.00 59.36 57.29 1pk0 h GLU 585 Cb 1.10 0.18 -0.40 0.00 0.50 0.00 0.00 28.75 30.14 1pk0 h GLU 585 CO 0.03 1.16 -0.95 1.19 -1.00 0.00 0.00 179.01 179.45 1pk0 n PHE 586 N -3.49 0.92 -2.22 4.33 3.01 -1.26 -0.79 117.46 117.96 1pk0 n PHE 586 Ca -0.19 -3.75 -0.41 0.00 1.01 0.00 0.00 57.45 54.10 1pk0 n PHE 586 Cb 1.05 -0.42 -0.03 0.00 -0.01 0.00 0.00 39.48 40.08 1pk0 n PHE 586 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1pk0 s PRO 587 N -1.63 4.40 -0.19 -1.08 0.04 -1.23 -5.00 135.00 130.30 1pk0 s PRO 587 Ca 0.37 2.06 -0.10 0.00 0.04 0.00 0.00 61.00 63.37 1pk0 s PRO 587 Cb 0.17 -3.18 -0.05 0.00 0.04 0.00 0.00 34.50 31.48 1pk0 s PRO 587 CO -0.08 -0.23 0.15 -1.21 0.04 0.00 0.00 177.00 175.67 1pk0 s GLU 588 N -0.32 4.13 -0.60 4.56 0.41 -1.26 -4.90 118.70 120.72 1pk0 s GLU 588 Ca 0.55 -0.18 -0.08 0.00 -0.41 0.00 0.00 54.97 54.85 1pk0 s GLU 588 Cb -0.37 -3.40 0.16 0.00 -1.78 0.00 0.00 34.13 28.74 1pk0 s GLU 588 CO 0.40 0.34 0.47 0.21 -0.49 0.00 0.00 175.26 176.18 1pk0 s LYS 589 N 0.25 2.74 0.41 1.61 2.36 -1.26 -5.07 119.74 120.78 1pk0 s LYS 589 Ca 0.09 -2.19 -0.12 0.00 -2.55 0.00 0.00 55.97 51.20 1pk0 s LYS 589 Cb -0.11 -3.96 -0.07 0.00 -1.05 0.00 0.00 37.83 32.64 1pk0 s LYS 589 CO -0.01 -1.20 0.80 -0.51 1.55 0.00 0.00 175.35 175.98 1pk0 s ASP 590 N 1.83 6.58 -0.12 1.43 1.01 -1.26 -5.02 116.67 121.13 1pk0 s ASP 590 Ca 0.12 1.23 -0.17 0.00 0.71 0.00 0.00 52.55 54.45 1pk0 s ASP 590 Cb -0.20 -2.36 -0.15 0.00 1.01 0.00 0.00 42.92 41.21 1pk0 s ASP 590 CO -0.04 -0.40 0.47 0.78 0.21 0.00 0.00 175.17 176.20 1pk0 h ASN 591 N 1.37 -0.01 -3.78 0.27 2.35 -1.96 -3.39 115.58 110.43 1pk0 h ASN 591 Ca -0.47 -0.57 -0.63 0.00 -0.55 0.00 0.00 56.30 54.07 1pk0 h ASN 591 Cb 1.18 0.00 -0.16 0.00 0.05 0.00 0.00 38.32 39.40 1pk0 h ASN 591 CO 0.64 0.77 -0.41 -1.61 -1.65 0.00 0.00 177.43 175.17 1pk0 s GLU 592 N -2.01 4.00 -0.07 0.81 2.02 -1.26 -3.20 118.70 118.99 1pk0 s GLU 592 Ca -0.11 -0.17 -0.02 0.00 0.02 0.00 0.00 54.97 54.69 1pk0 s GLU 592 Cb -0.02 -3.64 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 1pk0 s GLU 592 CO 0.41 -0.17 0.05 0.42 0.02 0.00 0.00 175.26 175.98 1pk0 s ILE 593 N 1.74 4.63 -0.28 -1.63 -1.09 -1.22 -3.98 121.20 119.37 1pk0 s ILE 593 Ca 0.10 -0.22 -0.08 0.00 -2.23 0.00 0.00 60.65 58.23 1pk0 s ILE 593 Cb -0.16 -3.01 -0.01 0.00 -1.58 0.00 0.00 42.46 37.71 1pk0 s ILE 593 CO 0.10 0.54 0.09 0.12 -1.23 0.00 0.00 174.94 174.56 1pk0 s PHE 594 N -1.00 3.13 -0.05 3.97 5.36 -0.76 -1.52 117.98 127.11 1pk0 s PHE 594 Ca 0.16 -0.70 0.04 0.00 -0.96 0.00 0.00 56.93 55.47 1pk0 s PHE 594 Cb -0.12 -2.27 -0.02 0.00 -0.34 0.00 0.00 43.02 40.27 1pk0 s PHE 594 CO 0.06 -0.48 -0.15 0.42 -1.46 0.00 0.00 175.22 173.61 1pk0 s ILE 595 N 1.57 2.99 -0.25 3.12 1.01 0.80 -0.70 121.20 129.73 1pk0 s ILE 595 Ca 0.04 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 59.97 1pk0 s ILE 595 Cb -0.16 -2.17 0.06 0.00 0.01 0.00 0.00 42.46 40.20 1pk0 s ILE 595 CO 0.04 0.59 -0.08 -0.63 0.00 0.00 0.00 174.94 174.85 1pk0 s ILE 596 N -0.65 1.87 0.60 2.92 1.01 -0.31 -0.76 121.20 125.88 1pk0 s ILE 596 Ca 0.10 -1.47 -0.10 0.00 0.00 0.00 0.00 60.65 59.17 1pk0 s ILE 596 Cb -0.11 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.25 1pk0 s ILE 596 CO 0.01 -0.08 1.00 0.54 0.00 0.00 0.00 174.94 176.40 1pk0 s ASN 597 N 1.23 6.24 0.00 3.58 2.20 -1.09 -1.80 114.94 125.30 1pk0 s ASN 597 Ca -0.07 1.36 0.00 0.00 -0.94 0.00 0.00 52.86 53.22 1pk0 s ASN 597 Cb -0.19 -2.44 0.00 0.00 -2.00 0.00 0.00 41.25 36.61 1pk0 s ASN 597 CO -0.06 -0.83 0.76 -0.81 -2.94 0.00 0.00 177.10 173.22 1pk0 n PRO 598 N -2.67 0.00 0.11 3.55 -0.04 -1.26 0.13 135.00 134.82 1pk0 n PRO 598 Ca 0.05 0.28 -0.18 0.00 -0.04 0.00 0.00 63.50 63.61 1pk0 n PRO 598 Cb 0.54 -1.68 -0.14 0.00 -0.04 0.00 0.00 33.50 32.18 1pk0 n PRO 598 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1pk0 h GLU 599 N 0.00 0.33 0.00 0.54 3.07 -1.90 -3.31 114.58 113.31 1pk0 h GLU 599 Ca 0.00 -0.57 0.00 0.00 -0.50 0.00 0.00 59.36 58.29 1pk0 h GLU 599 Cb 0.35 0.21 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1pk0 h GLU 599 CO 0.00 1.27 0.00 0.41 -1.40 0.00 0.00 179.01 179.29 1pk0 n GLY 600 N 1.59 1.28 3.91 -3.84 0.00 0.35 -4.86 105.19 103.62 1pk0 n GLY 600 Ca -0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 1pk0 n GLY 600 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pk0 s GLU 601 N -0.44 3.17 -0.18 1.61 2.02 -1.25 -4.87 118.70 118.75 1pk0 s GLU 601 Ca 0.00 0.18 -0.02 0.00 0.02 0.00 0.00 54.97 55.15 1pk0 s GLU 601 Cb 0.00 -2.26 -0.01 0.00 0.10 0.00 0.00 34.13 31.96 1pk0 s GLU 601 CO 0.00 -0.58 -0.08 -0.06 0.02 0.00 0.00 175.26 174.57 1pk0 s PHE 602 N -2.98 2.91 0.02 1.61 2.99 -1.26 -2.69 117.98 118.59 1pk0 s PHE 602 Ca 0.53 -0.80 0.05 0.00 0.00 0.00 0.00 56.93 56.71 1pk0 s PHE 602 Cb -0.11 -2.00 -0.02 0.00 0.00 0.00 0.00 43.02 40.90 1pk0 s PHE 602 CO 0.47 -0.39 -0.15 0.42 -0.00 0.00 0.00 175.22 175.57 1pk0 s ILE 603 N 0.98 1.16 -0.28 0.64 -1.09 0.06 -1.00 121.20 121.66 1pk0 s ILE 603 Ca -0.01 -0.83 -0.01 0.00 -2.23 0.00 0.00 60.65 57.58 1pk0 s ILE 603 Cb -0.15 -1.01 0.09 0.00 -1.58 0.00 0.00 42.46 39.81 1pk0 s ILE 603 CO -0.00 0.17 0.06 -0.22 -1.23 0.00 0.00 174.94 173.72 1pk0 s LEU 604 N -0.75 2.30 0.47 2.97 0.20 -0.21 -0.14 118.68 123.51 1pk0 s LEU 604 Ca 0.04 -1.48 -0.24 0.00 0.69 0.00 0.00 54.13 53.14 1pk0 s LEU 604 Cb -0.07 -0.92 -0.08 0.00 -0.43 0.00 0.00 46.19 44.69 1pk0 s LEU 604 CO 0.00 -0.37 1.26 0.35 -0.29 0.00 0.00 176.35 177.30 1pk0 n THR 605 N 4.81 2.94 0.05 3.68 -2.24 -0.58 -2.36 114.28 120.58 1pk0 n THR 605 Ca -0.04 -0.50 -0.15 0.00 -2.27 0.00 0.00 64.05 61.09 1pk0 n THR 605 Cb 0.43 -1.55 -0.14 0.00 -2.10 0.00 0.00 70.33 66.97 1pk0 n THR 605 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1pk0 h LYS 606 N 1.79 0.18 -2.60 -0.78 1.79 -1.81 -3.24 116.57 111.89 1pk0 h LYS 606 Ca -0.49 -0.31 -0.08 0.00 -2.18 0.00 0.00 60.65 57.60 1pk0 h LYS 606 Cb 1.30 0.11 -0.18 0.00 -1.58 0.00 0.00 32.23 31.88 1pk0 h LYS 606 CO 0.58 1.00 -0.02 0.54 -1.08 0.00 0.00 179.45 180.48 1pk0 s ASN 607 N -6.81 -0.42 0.21 0.86 4.22 -1.22 -4.33 114.94 107.46 1pk0 s ASN 607 Ca -0.08 0.32 -0.13 0.00 -2.14 0.00 0.00 52.86 50.83 1pk0 s ASN 607 Cb 0.07 0.45 0.25 0.00 1.28 0.00 0.00 41.25 43.30 1pk0 s ASN 607 CO 0.84 -0.59 1.35 1.87 -2.04 0.00 0.00 177.10 178.52 1pk0 n TRP 608 N 0.86 0.09 -0.36 1.54 -0.00 -1.19 0.19 117.44 118.56 1pk0 n TRP 608 Ca -0.20 1.07 0.09 0.00 -0.00 0.00 0.00 57.50 58.46 1pk0 n TRP 608 Cb 0.58 -0.86 0.27 0.00 -0.00 0.00 0.00 31.31 31.29 1pk0 n TRP 608 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 177.69 178.62 1pk0 h GLU 609 N 0.00 0.90 -0.04 5.87 3.07 -1.96 -1.34 114.58 121.09 1pk0 h GLU 609 Ca 0.33 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.12 1pk0 h GLU 609 Cb 0.54 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 28.25 1pk0 h GLU 609 CO -0.87 0.60 -0.01 1.98 -1.40 0.00 0.00 179.01 179.31 1pk0 h MET 610 N 0.93 0.08 -0.93 2.33 4.05 0.16 -2.62 114.93 118.92 1pk0 h MET 610 Ca 0.52 -0.03 0.25 0.00 -0.28 0.00 0.00 59.70 60.16 1pk0 h MET 610 Cb 0.62 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.36 1pk0 h MET 610 CO -0.30 0.43 0.65 1.15 0.23 0.00 0.00 176.91 179.07 1pk0 h THR 611 N -0.27 0.57 -0.44 -0.77 2.02 -0.14 0.23 112.91 114.10 1pk0 h THR 611 Ca 0.01 -0.05 -0.12 0.00 0.77 0.00 0.00 66.41 67.01 1pk0 h THR 611 Cb 0.40 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1pk0 h THR 611 CO 0.00 0.03 -0.21 1.23 0.37 0.00 0.00 175.52 176.94 1pk0 h GLY 612 N 0.16 1.01 0.80 2.16 0.00 -0.91 -2.52 103.07 103.76 1pk0 h GLY 612 Ca 0.47 -0.90 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1pk0 h GLY 612 CO -0.09 0.82 -0.10 3.21 0.00 0.00 0.00 176.54 180.38 1pk0 h ARG 613 N 0.76 -0.28 -0.32 4.80 3.08 -0.44 -1.57 114.38 120.41 1pk0 h ARG 613 Ca 0.10 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.24 1pk0 h ARG 613 Cb 0.78 0.06 -0.08 0.00 0.08 0.00 0.00 29.97 30.81 1pk0 h ARG 613 CO 0.06 -0.04 -0.33 0.35 -1.07 0.00 0.00 179.97 178.95 1pk0 h PHE 614 N -0.50 -0.91 -0.68 3.04 3.57 -1.19 0.33 116.94 120.59 1pk0 h PHE 614 Ca -0.03 0.05 0.06 0.00 3.53 0.00 0.00 57.97 61.59 1pk0 h PHE 614 Cb 0.38 0.45 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 1pk0 h PHE 614 CO -0.00 -0.39 0.45 0.82 -2.23 0.00 0.00 178.31 176.96 1pk0 h ILE 615 N -0.29 1.01 0.42 1.41 2.04 -1.39 -0.44 117.51 120.26 1pk0 h ILE 615 Ca 0.15 -0.24 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1pk0 h ILE 615 Cb 0.54 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1pk0 h ILE 615 CO -0.49 0.13 -0.20 -0.08 0.00 0.00 0.00 178.15 177.51 1pk0 h GLU 616 N 0.70 -0.54 -0.71 2.37 4.81 0.25 0.37 114.58 121.82 1pk0 h GLU 616 Ca 0.30 0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.52 1pk0 h GLU 616 Cb 0.27 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1pk0 h GLU 616 CO -0.09 -0.27 0.26 -0.22 -0.73 0.00 0.00 179.01 177.96 1pk0 h LYS 617 N -1.06 1.07 -0.02 1.92 3.64 -0.33 -2.64 116.57 119.15 1pk0 h LYS 617 Ca -0.06 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1pk0 h LYS 617 Cb 0.52 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 1pk0 h LYS 617 CO 0.09 0.89 -0.07 0.09 -2.27 0.00 0.00 179.45 178.18 1pk0 n ASN 618 N -4.28 2.08 0.00 4.20 5.03 -0.19 -4.61 115.26 117.50 1pk0 n ASN 618 Ca 0.06 -1.54 0.00 0.00 0.87 0.00 0.00 54.58 53.97 1pk0 n ASN 618 Cb 0.20 0.11 0.00 0.00 -1.02 0.00 0.00 39.78 39.06 1pk0 n ASN 618 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1pk0 n ILE 619 N 0.62 0.00 0.15 2.41 5.41 -0.61 -4.64 119.36 122.70 1pk0 n ILE 619 Ca 0.08 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.85 1pk0 n ILE 619 Cb 0.36 -0.26 0.08 0.00 -0.71 0.00 0.00 39.64 39.10 1pk0 n ILE 619 CO 0.00 0.00 0.00 1.07 0.00 0.00 0.00 176.55 177.62 1pk0 n THR 620 N -1.72 0.72 -0.22 1.39 5.66 0.02 -0.99 114.28 119.14 1pk0 n THR 620 Ca 0.00 0.18 0.00 0.00 -3.05 0.00 0.00 64.05 61.18 1pk0 n THR 620 Cb 0.00 -1.13 0.00 0.00 -1.55 0.00 0.00 70.33 67.65 1pk0 n THR 620 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1pk0 n GLY 621 N -0.97 1.86 2.58 1.09 0.00 -0.99 -4.80 105.19 103.96 1pk0 n GLY 621 Ca 0.02 -0.02 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 1pk0 n GLY 621 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1pk0 n LYS 622 N -0.42 1.88 -3.79 1.61 3.00 -0.16 -4.97 118.16 115.30 1pk0 n LYS 622 Ca 0.00 -3.69 -0.25 0.00 -0.00 0.00 0.00 58.31 54.38 1pk0 n LYS 622 Cb 0.31 -1.61 0.01 0.00 0.00 0.00 0.00 35.03 33.74 1pk0 n LYS 622 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1pk0 n ASP 623 N -0.17 -1.70 -4.05 3.14 8.00 -1.25 -4.86 116.55 115.66 1pk0 n ASP 623 Ca 0.20 -0.93 -0.17 0.00 0.71 0.00 0.00 54.79 54.60 1pk0 n ASP 623 Cb 0.75 -3.53 -0.13 0.00 -0.02 0.00 0.00 41.12 38.18 1pk0 n ASP 623 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1pk0 s TYR 624 N -3.75 0.81 0.01 1.24 1.51 -1.22 -3.16 117.35 112.78 1pk0 s TYR 624 Ca 0.10 -0.28 -0.30 0.00 -1.01 0.00 0.00 57.07 55.58 1pk0 s TYR 624 Cb -0.03 -0.49 -0.05 0.00 -0.11 0.00 0.00 41.96 41.28 1pk0 s TYR 624 CO 0.85 -0.02 1.23 -1.17 -1.11 0.00 0.00 175.55 175.33 1pk0 s LEU 625 N -0.79 4.33 -0.25 -1.29 2.96 0.12 -4.63 118.68 119.12 1pk0 s LEU 625 Ca -0.01 1.95 -0.20 0.00 -0.22 0.00 0.00 54.13 55.65 1pk0 s LEU 625 Cb -0.06 -3.57 0.07 0.00 0.50 0.00 0.00 46.19 43.13 1pk0 s LEU 625 CO 0.00 -0.55 0.64 -0.47 -1.32 0.00 0.00 176.35 174.65 1pk0 s TYR 626 N 1.72 -0.78 -0.00 5.38 5.04 -1.26 -3.64 117.35 123.80 1pk0 s TYR 626 Ca 0.58 1.80 0.00 0.00 -2.44 0.00 0.00 57.07 57.01 1pk0 s TYR 626 Cb -0.28 0.33 -0.00 0.00 0.35 0.00 0.00 41.96 42.36 1pk0 s TYR 626 CO 0.26 -0.38 -0.00 1.52 -1.34 0.00 0.00 175.55 175.60 1pk0 s TYR 627 N 0.69 0.04 -0.04 4.97 -0.85 -1.26 -5.03 117.35 115.87 1pk0 s TYR 627 Ca -0.03 -0.01 -0.03 0.00 -0.52 0.00 0.00 57.07 56.48 1pk0 s TYR 627 Cb -0.05 -0.02 -0.04 0.00 0.38 0.00 0.00 41.96 42.23 1pk0 s TYR 627 CO -0.05 -0.00 0.13 -0.59 -1.52 0.00 0.00 175.55 173.52 1pk0 s PHE 628 N -0.01 3.45 -0.22 -3.49 -0.12 -1.26 -4.92 117.98 111.41 1pk0 s PHE 628 Ca 0.00 0.34 -0.27 0.00 -0.05 0.00 0.00 56.93 56.95 1pk0 s PHE 628 Cb -0.00 -1.82 -0.12 0.00 -0.63 0.00 0.00 43.02 40.44 1pk0 s PHE 628 CO -0.00 0.63 0.88 -1.71 -0.05 0.00 0.00 175.22 174.97 1pk0 n ASN 629 N 1.36 0.52 0.11 1.98 5.15 -1.21 -4.78 115.26 118.40 1pk0 n ASN 629 Ca -0.14 0.72 0.09 0.00 -0.60 0.00 0.00 54.58 54.65 1pk0 n ASN 629 Cb 0.53 -0.54 0.43 0.00 -0.53 0.00 0.00 39.78 39.67 1pk0 n ASN 629 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1pk0 n ARG 630 N 2.00 0.12 0.11 1.20 1.74 -1.26 -1.52 116.66 119.05 1pk0 n ARG 630 Ca 0.17 0.50 0.03 0.00 -0.77 0.00 0.00 57.85 57.78 1pk0 n ARG 630 Cb -0.01 -1.80 0.01 0.00 -1.02 0.00 0.00 32.46 29.63 1pk0 n ARG 630 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 1pk0 h SER 631 N 0.00 0.00 -2.93 0.55 0.02 -1.86 -3.46 113.55 105.87 1pk0 h SER 631 Ca 0.00 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.36 1pk0 h SER 631 Cb 0.15 0.00 0.16 0.00 0.14 0.00 0.00 62.40 62.85 1pk0 h SER 631 CO 0.00 0.43 -0.23 -1.22 -1.14 0.00 0.00 176.83 174.67 1pk0 n TYR 632 N -3.07 -0.12 -1.33 3.45 0.53 -0.58 -0.47 117.16 115.57 1pk0 n TYR 632 Ca -0.01 0.49 -0.11 0.00 -1.02 0.00 0.00 57.90 57.25 1pk0 n TYR 632 Cb 0.73 -2.03 -0.05 0.00 -1.03 0.00 0.00 39.34 36.95 1pk0 n TYR 632 CO 0.00 0.00 0.00 0.09 -1.02 0.00 0.00 176.86 175.93 1pk0 n ASN 633 N 0.48 -5.27 -3.85 7.72 5.03 0.12 -4.93 115.26 114.57 1pk0 n ASN 633 Ca 0.11 0.28 -0.16 0.00 0.87 0.00 0.00 54.58 55.69 1pk0 n ASN 633 Cb 0.44 -3.78 -0.09 0.00 -1.02 0.00 0.00 39.78 35.33 1pk0 n ASN 633 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1pk0 s LYS 634 N -2.86 1.47 -0.52 3.52 1.02 0.38 -5.06 119.74 117.68 1pk0 s LYS 634 Ca 0.00 -1.82 -0.20 0.00 0.02 0.00 0.00 55.97 53.97 1pk0 s LYS 634 Cb 0.00 0.23 0.06 0.00 -0.52 0.00 0.00 37.83 37.60 1pk0 s LYS 634 CO 0.00 -0.50 0.67 0.42 -0.92 0.00 0.00 175.35 175.03 1pk0 s ILE 635 N -3.80 4.80 0.10 2.17 1.01 -1.26 -4.36 121.20 119.86 1pk0 s ILE 635 Ca 0.39 -0.40 -0.35 0.00 0.00 0.00 0.00 60.65 60.28 1pk0 s ILE 635 Cb 0.05 -4.34 -0.15 0.00 0.01 0.00 0.00 42.46 38.03 1pk0 s ILE 635 CO 0.19 -0.86 1.51 0.00 0.00 0.00 0.00 174.94 175.77 1pk0 n ALA 636 N 6.36 0.33 -0.09 9.38 0.00 0.71 -4.84 120.51 132.36 1pk0 n ALA 636 Ca -0.05 0.46 -0.07 0.00 0.00 0.00 0.00 53.44 53.78 1pk0 n ALA 636 Cb 0.46 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1pk0 n ALA 636 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1pk0 h PRO 637 N 5.60 0.20 0.63 0.00 0.11 -1.77 0.15 132.00 136.93 1pk0 h PRO 637 Ca -0.46 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 1pk0 h PRO 637 Cb 1.29 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.36 1pk0 h PRO 637 CO 0.85 0.13 -0.30 0.78 -0.21 0.00 0.00 178.00 179.25 1pk0 h GLY 638 N 0.20 -0.89 -0.64 -0.55 0.00 -1.26 -3.34 103.07 96.60 1pk0 h GLY 638 Ca 0.14 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.80 1pk0 h GLY 638 CO -0.17 -0.32 0.00 1.16 0.00 0.00 0.00 176.54 177.21 1pk0 n ASN 639 N -5.43 2.65 -1.58 0.19 2.04 -1.02 -4.96 115.26 107.16 1pk0 n ASN 639 Ca -0.13 -2.38 -0.17 0.00 -0.44 0.00 0.00 54.58 51.47 1pk0 n ASN 639 Cb 0.36 -0.24 -0.06 0.00 -2.53 0.00 0.00 39.78 37.30 1pk0 n ASN 639 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1pk0 n LYS 640 N -0.39 -1.43 -1.90 -3.83 4.76 0.54 -4.91 118.16 111.00 1pk0 n LYS 640 Ca 0.10 0.96 -0.37 0.00 -2.87 0.00 0.00 58.31 56.13 1pk0 n LYS 640 Cb 0.48 -5.31 0.04 0.00 -1.84 0.00 0.00 35.03 28.41 1pk0 n LYS 640 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1pk0 s ALA 641 N -2.45 2.59 -0.55 7.82 0.00 -1.23 -4.55 121.76 123.39 1pk0 s ALA 641 Ca 0.00 1.14 0.06 0.00 0.00 0.00 0.00 51.96 53.16 1pk0 s ALA 641 Cb 0.00 -3.50 0.21 0.00 0.00 0.00 0.00 23.12 19.82 1pk0 s ALA 641 CO 0.00 -1.30 0.52 0.98 0.00 0.00 0.00 175.76 175.96 1pk0 n TYR 642 N -1.47 1.55 -3.00 0.00 9.36 -1.26 -0.21 117.16 122.13 1pk0 n TYR 642 Ca 0.13 -3.87 -0.41 0.00 3.32 0.00 0.00 57.90 57.08 1pk0 n TYR 642 Cb 0.48 -0.33 -0.05 0.00 -0.63 0.00 0.00 39.34 38.81 1pk0 n TYR 642 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1pk0 s ILE 643 N -1.27 4.95 0.23 2.97 1.09 -1.26 -4.88 121.20 123.01 1pk0 s ILE 643 Ca 0.33 1.42 -0.07 0.00 -1.10 0.00 0.00 60.65 61.23 1pk0 s ILE 643 Cb 0.07 -4.05 -0.06 0.00 -1.06 0.00 0.00 42.46 37.36 1pk0 s ILE 643 CO -0.13 0.07 0.51 -1.61 -0.10 0.00 0.00 174.94 173.68 1pk0 s GLU 644 N 2.04 3.70 0.00 2.79 2.02 -1.26 0.15 118.70 128.14 1pk0 s GLU 644 Ca 0.34 0.10 -0.19 0.00 0.02 0.00 0.00 54.97 55.23 1pk0 s GLU 644 Cb -0.16 -2.70 0.04 0.00 0.10 0.00 0.00 34.13 31.41 1pk0 s GLU 644 CO 0.11 0.32 0.42 -0.46 0.02 0.00 0.00 175.26 175.68 1pk0 s TRP 645 N -1.86 -0.31 -0.33 1.61 -0.11 -1.26 -4.86 118.94 111.81 1pk0 s TRP 645 Ca 0.45 0.42 -0.29 0.00 1.22 0.00 0.00 56.10 57.90 1pk0 s TRP 645 Cb -0.11 0.21 0.01 0.00 -1.50 0.00 0.00 33.47 32.07 1pk0 s TRP 645 CO 0.25 -0.50 1.22 0.99 -4.62 0.00 0.00 176.95 174.28 1pk0 s THR 646 N -1.74 4.25 -0.47 5.86 2.01 -1.26 -4.86 115.64 119.43 1pk0 s THR 646 Ca -0.10 1.39 0.01 0.00 0.31 0.00 0.00 61.69 63.30 1pk0 s THR 646 Cb -0.02 -4.29 0.12 0.00 0.01 0.00 0.00 72.50 68.32 1pk0 s THR 646 CO 0.03 -0.56 0.23 -0.62 -0.69 0.00 0.00 174.62 173.01 1pk0 s ASP 647 N 2.47 4.87 0.31 3.53 2.15 -1.26 -5.00 116.67 123.73 1pk0 s ASP 647 Ca 0.52 -2.52 0.07 0.00 0.43 0.00 0.00 52.55 51.05 1pk0 s ASP 647 Cb -0.14 -1.73 0.87 0.00 -0.30 0.00 0.00 42.92 41.62 1pk0 s ASP 647 CO 0.22 -0.38 1.47 -0.81 -0.17 0.00 0.00 175.17 175.50 1pk0 n PRO 648 N 3.84 -0.07 -0.15 4.34 -0.04 -1.26 -0.89 135.00 140.77 1pk0 n PRO 648 Ca 0.04 1.37 -0.03 0.00 -0.04 0.00 0.00 63.50 64.83 1pk0 n PRO 648 Cb 0.38 -2.25 0.04 0.00 -0.04 0.00 0.00 33.50 31.63 1pk0 n PRO 648 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1pk0 h ILE 649 N 0.00 0.56 0.34 0.52 2.04 -2.01 -2.11 117.51 116.84 1pk0 h ILE 649 Ca 0.63 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 66.47 1pk0 h ILE 649 Cb 1.43 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.01 1pk0 h ILE 649 CO -0.83 0.01 -0.30 0.74 0.00 0.00 0.00 178.15 177.76 1pk0 h THR 650 N 0.04 0.37 -0.59 -0.27 2.02 -1.46 -2.69 112.91 110.34 1pk0 h THR 650 Ca 0.23 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.53 1pk0 h THR 650 Cb 0.36 0.37 -0.11 0.00 -1.74 0.00 0.00 68.15 67.03 1pk0 h THR 650 CO -0.46 0.00 -0.14 0.29 0.37 0.00 0.00 175.52 175.58 1pk0 n LYS 651 N -5.42 -0.05 0.10 6.66 5.02 -0.81 0.62 118.16 124.27 1pk0 n LYS 651 Ca -0.10 0.91 -0.01 0.00 -2.02 0.00 0.00 58.31 57.10 1pk0 n LYS 651 Cb 0.33 -1.37 0.26 0.00 -0.02 0.00 0.00 35.03 34.23 1pk0 n LYS 651 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1pk0 h ALA 652 N 1.17 1.21 -0.69 7.82 0.00 -1.28 -3.33 119.26 124.15 1pk0 h ALA 652 Ca 0.28 -0.36 0.21 0.00 0.00 0.00 0.00 54.91 55.04 1pk0 h ALA 652 Cb 0.44 -0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.01 1pk0 h ALA 652 CO -0.60 0.53 0.07 1.17 0.00 0.00 0.00 179.25 180.42 1pk0 n LYS 653 N -4.09 -0.05 -0.11 0.00 4.81 0.20 0.83 118.16 119.75 1pk0 n LYS 653 Ca -0.01 1.02 0.16 0.00 -0.87 0.00 0.00 58.31 58.61 1pk0 n LYS 653 Cb 0.42 -1.66 0.55 0.00 0.02 0.00 0.00 35.03 34.37 1pk0 n LYS 653 CO 0.00 0.00 0.00 0.97 1.17 0.00 0.00 177.40 179.54 1pk0 h ILE 654 N 0.00 0.79 -0.40 3.15 6.09 -1.73 -1.42 117.51 123.99 1pk0 h ILE 654 Ca 0.44 -0.11 0.00 0.00 -1.37 0.00 0.00 64.86 63.83 1pk0 h ILE 654 Cb 0.97 0.45 0.00 0.00 0.47 0.00 0.00 36.82 38.71 1pk0 h ILE 654 CO -0.63 0.06 0.00 0.59 -3.07 0.00 0.00 178.15 175.09 1pk0 n ASN 655 N -4.45 3.24 -4.04 2.19 3.02 0.24 -4.39 115.26 111.08 1pk0 n ASN 655 Ca 0.13 -1.93 -0.31 0.00 -0.03 0.00 0.00 54.58 52.44 1pk0 n ASN 655 Cb 0.53 -0.26 -0.16 0.00 -0.61 0.00 0.00 39.78 39.28 1pk0 n ASN 655 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1pk0 s THR 656 N -1.19 1.73 0.64 3.41 -4.23 -0.54 -3.79 115.64 111.67 1pk0 s THR 656 Ca 0.34 -0.82 -0.18 0.00 -1.18 0.00 0.00 61.69 59.84 1pk0 s THR 656 Cb 0.19 -1.65 -0.01 0.00 1.34 0.00 0.00 72.50 72.37 1pk0 s THR 656 CO 0.26 0.40 1.26 0.27 -0.54 0.00 0.00 174.62 176.27 1pk0 s ILE 657 N 1.41 2.22 0.49 2.99 -4.36 -1.26 -4.84 121.20 117.84 1pk0 s ILE 657 Ca 0.03 0.13 -0.05 0.00 -0.26 0.00 0.00 60.65 60.50 1pk0 s ILE 657 Cb -0.14 -3.01 -0.03 0.00 1.25 0.00 0.00 42.46 40.53 1pk0 s ILE 657 CO -0.11 -0.03 0.79 -2.16 0.24 0.00 0.00 174.94 173.67 1pk0 s PRO 658 N -3.43 3.46 0.60 0.37 0.04 -1.26 -5.08 135.00 129.70 1pk0 s PRO 658 Ca 0.80 0.14 -0.08 0.00 0.04 0.00 0.00 61.00 61.91 1pk0 s PRO 658 Cb -0.35 -2.38 -0.00 0.00 0.04 0.00 0.00 34.50 31.81 1pk0 s PRO 658 CO 0.39 -0.25 0.94 -0.08 0.04 0.00 0.00 177.00 178.03 1pk0 s THR 659 N -2.75 3.95 0.15 1.26 -1.32 -1.26 -4.85 115.64 110.82 1pk0 s THR 659 Ca 0.48 0.24 -0.17 0.00 -1.21 0.00 0.00 61.69 61.03 1pk0 s THR 659 Cb -0.10 -3.58 0.01 0.00 -1.51 0.00 0.00 72.50 67.32 1pk0 s THR 659 CO 0.44 -0.64 1.81 0.77 -2.21 0.00 0.00 174.62 174.79 1pk0 h SER 660 N -0.22 0.43 -0.08 8.08 4.64 -1.78 -0.75 113.55 123.86 1pk0 h SER 660 Ca -0.45 -0.01 0.02 0.00 -0.47 0.00 0.00 61.79 60.87 1pk0 h SER 660 Cb 1.24 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 1pk0 h SER 660 CO 0.62 0.31 -0.26 0.00 -0.87 0.00 0.00 176.83 176.63 1pk0 h ALA 661 N 1.14 -0.63 -0.68 5.18 0.00 -1.94 0.74 119.26 123.07 1pk0 h ALA 661 Ca 0.14 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.16 1pk0 h ALA 661 Cb -0.06 0.79 -0.13 0.00 0.00 0.00 0.00 17.79 18.40 1pk0 h ALA 661 CO -0.03 -0.73 -0.14 1.49 0.00 0.00 0.00 179.25 179.84 1pk0 h GLU 662 N -0.26 0.02 -0.95 0.00 4.57 -1.92 0.67 114.58 116.71 1pk0 h GLU 662 Ca 0.02 -0.00 0.14 0.00 -1.18 0.00 0.00 59.36 58.34 1pk0 h GLU 662 Cb 0.31 -0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 28.81 1pk0 h GLU 662 CO -0.21 0.01 0.56 0.35 -1.18 0.00 0.00 179.01 178.54 1pk0 h PHE 663 N 0.02 1.01 0.25 0.92 3.57 0.55 0.31 116.94 123.56 1pk0 h PHE 663 Ca 0.33 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.85 1pk0 h PHE 663 Cb 0.52 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1pk0 h PHE 663 CO -0.52 0.32 -0.12 0.82 -2.23 0.00 0.00 178.31 176.58 1pk0 h ILE 664 N 0.83 0.45 0.00 1.41 2.04 0.44 -3.02 117.51 119.67 1pk0 h ILE 664 Ca 0.50 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1pk0 h ILE 664 Cb 0.62 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1pk0 h ILE 664 CO -0.32 0.12 0.14 0.29 0.00 0.00 0.00 178.15 178.38 1pk0 n LYS 665 N -5.00 0.02 0.06 2.37 5.02 0.19 0.26 118.16 121.08 1pk0 n LYS 665 Ca -0.07 0.41 0.11 0.00 -2.02 0.00 0.00 58.31 56.75 1pk0 n LYS 665 Cb 0.23 -1.71 0.02 0.00 -0.02 0.00 0.00 35.03 33.55 1pk0 n LYS 665 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1pk0 n ASN 666 N -1.51 0.64 0.07 4.39 5.03 0.10 -2.99 115.26 121.00 1pk0 n ASN 666 Ca -0.00 0.06 0.11 0.00 0.87 0.00 0.00 54.58 55.63 1pk0 n ASN 666 Cb 0.15 0.70 0.00 0.00 -1.02 0.00 0.00 39.78 39.62 1pk0 n ASN 666 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1pk0 n LEU 667 N -2.28 0.68 0.01 3.41 4.77 0.72 -3.36 117.00 120.95 1pk0 n LEU 667 Ca 0.01 0.21 -0.01 0.00 -0.03 0.00 0.00 56.01 56.19 1pk0 n LEU 667 Cb 0.49 -0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 41.50 1pk0 n LEU 667 CO 0.40 -0.10 0.12 -1.28 -1.33 0.00 0.00 177.39 175.20 1pk0 h SER 668 N 0.00 -0.04 0.00 -1.43 0.87 -1.05 -3.16 113.55 108.73 1pk0 h SER 668 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1pk0 h SER 668 Cb 0.91 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1pk0 h SER 668 CO 0.00 0.03 0.00 -1.54 -0.53 0.00 0.00 176.83 174.79 1pk0 n SER 669 N -2.48 0.07 0.00 6.23 3.41 -1.16 0.18 113.62 119.87 1pk0 n SER 669 Ca -0.01 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 1pk0 n SER 669 Cb 0.02 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 1pk0 n SER 669 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pk0 n ILE 670 N 0.01 0.53 -0.20 -1.33 0.00 -1.22 -4.38 119.36 112.77 1pk0 n ILE 670 Ca 0.00 -0.72 0.10 0.00 0.00 0.00 0.00 62.75 62.12 1pk0 n ILE 670 Cb 0.02 0.77 0.25 0.00 0.00 0.00 0.00 39.64 40.67 1pk0 n ILE 670 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1pk0 n ARG 671 N -0.26 2.68 0.00 9.51 0.63 0.47 -4.37 116.66 125.32 1pk0 n ARG 671 Ca 0.00 -2.37 0.06 0.00 -0.92 0.00 0.00 57.85 54.62 1pk0 n ARG 671 Cb 0.16 -1.45 0.34 0.00 0.45 0.00 0.00 32.46 31.96 1pk0 n ARG 671 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 1pk0 n ARG 672 N 1.22 0.28 0.00 -0.14 5.12 -1.25 -5.10 116.66 116.79 1pk0 n ARG 672 Ca 0.19 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 56.19 1pk0 n ARG 672 Cb 0.54 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.34 1pk0 n ARG 672 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1pk0 n SER 673 N -1.14 0.00 0.00 0.55 3.41 -1.26 -5.21 113.62 109.98 1pk0 n SER 673 Ca 0.08 -0.54 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 1pk0 n SER 673 Cb 0.07 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.02 1pk0 n SER 673 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pk0 n SER 693 N 0.00 0.00 -3.72 4.04 3.41 -1.26 -5.09 113.62 111.00 1pk0 n SER 693 Ca 0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.49 1pk0 n SER 693 Cb 0.14 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 63.98 1pk0 n SER 693 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1pk0 s VAL 694 N 0.00 -0.02 -0.59 -3.33 -7.23 -1.26 -5.15 120.40 102.82 1pk0 s VAL 694 Ca 0.00 0.06 0.25 0.00 -1.81 0.00 0.00 61.98 60.47 1pk0 s VAL 694 Cb 0.00 -0.55 0.30 0.00 0.56 0.00 0.00 36.38 36.69 1pk0 s VAL 694 CO 0.00 0.02 1.68 0.50 -0.31 0.00 0.00 175.10 177.00 1pk0 h LYS 695 N 6.41 0.00 0.00 4.82 3.64 -2.03 -3.38 116.57 126.04 1pk0 h LYS 695 Ca -0.33 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.05 1pk0 h LYS 695 Cb 1.18 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1pk0 h LYS 695 CO 0.29 0.00 -0.01 0.87 -2.27 0.00 0.00 179.45 178.33 1pk0 h LYS 696 N 0.00 0.00 0.45 1.90 1.57 -1.99 -2.90 116.57 115.60 1pk0 h LYS 696 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1pk0 h LYS 696 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 1pk0 h LYS 696 CO 0.00 0.01 -0.22 0.82 -0.57 0.00 0.00 179.45 179.49 1pk0 h ILE 697 N 0.00 0.22 -0.11 1.86 5.03 -1.88 -0.27 117.51 122.36 1pk0 h ILE 697 Ca -0.00 -0.57 0.01 0.00 -0.12 0.00 0.00 64.86 64.18 1pk0 h ILE 697 Cb 0.40 0.35 -0.01 0.00 -3.03 0.00 0.00 36.82 34.53 1pk0 h ILE 697 CO 0.00 0.05 0.08 0.00 -0.68 0.00 0.00 178.15 177.59 1pk0 h ALA 698 N -0.92 1.97 0.72 1.87 0.00 -1.81 -0.92 119.26 120.18 1pk0 h ALA 698 Ca -0.06 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1pk0 h ALA 698 Cb 0.54 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1pk0 h ALA 698 CO 0.10 0.02 -0.34 0.78 0.00 0.00 0.00 179.25 179.80 1pk0 h GLY 699 N 0.11 -1.01 -0.30 0.00 0.00 -1.47 -2.41 103.07 98.00 1pk0 h GLY 699 Ca 0.04 0.37 0.16 0.00 0.00 0.00 0.00 47.33 47.91 1pk0 h GLY 699 CO -0.01 -0.37 -0.01 -0.97 0.00 0.00 0.00 176.54 175.19 1pk0 h TYR 700 N -1.25 -0.07 -0.25 5.60 0.99 -0.51 1.35 116.97 122.83 1pk0 h TYR 700 Ca -0.10 0.05 0.07 0.00 2.00 0.00 0.00 58.73 60.76 1pk0 h TYR 700 Cb 0.74 0.14 -0.01 0.00 1.00 0.00 0.00 36.73 38.61 1pk0 h TYR 700 CO 0.00 -0.23 0.19 -0.07 -0.00 0.00 0.00 178.16 178.05 1pk0 h LEU 701 N 0.10 0.00 -0.55 3.88 3.38 -1.18 0.86 115.31 121.81 1pk0 h LEU 701 Ca 0.39 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.31 1pk0 h LEU 701 Cb 0.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1pk0 h LEU 701 CO -0.64 0.00 -0.22 -1.28 0.09 0.00 0.00 178.44 176.39 1pk0 h SER 702 N 0.00 0.00 0.28 -0.43 0.87 0.23 -3.00 113.55 111.50 1pk0 h SER 702 Ca 0.12 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.38 1pk0 h SER 702 Cb 0.50 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.48 1pk0 h SER 702 CO -0.00 0.22 -1.27 0.44 -0.53 0.00 0.00 176.83 175.69 1pk0 h ASP 703 N 0.00 0.75 -0.05 6.23 3.45 0.20 -3.31 116.42 123.69 1pk0 h ASP 703 Ca -0.00 -0.72 0.02 0.00 0.43 0.00 0.00 57.03 56.75 1pk0 h ASP 703 Cb 0.97 -0.24 -0.02 0.00 -0.56 0.00 0.00 39.33 39.48 1pk0 h ASP 703 CO 0.03 1.54 -0.05 0.22 -1.57 0.00 0.00 179.24 179.41 1pk0 h TYR 704 N 0.21 -0.12 -2.30 4.55 3.20 -0.66 -3.20 116.97 118.64 1pk0 h TYR 704 Ca -0.18 0.01 -0.77 0.00 3.14 0.00 0.00 58.73 60.93 1pk0 h TYR 704 Cb 1.95 0.06 -0.20 0.00 1.54 0.00 0.00 36.73 40.08 1pk0 h TYR 704 CO 0.10 -0.08 1.31 0.66 -1.64 0.00 0.00 178.16 178.51 1pk0 n TYR 705 N -5.17 3.98 -4.01 -3.82 4.02 -1.14 -4.96 117.16 106.06 1pk0 n TYR 705 Ca -0.05 -3.16 -0.34 0.00 -0.01 0.00 0.00 57.90 54.34 1pk0 n TYR 705 Cb 0.10 -1.88 -0.15 0.00 -0.02 0.00 0.00 39.34 37.39 1pk0 n TYR 705 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1pk0 s ASN 706 N 1.22 4.01 0.18 7.72 3.84 -1.21 -4.90 114.94 125.79 1pk0 s ASN 706 Ca 0.38 -0.80 0.10 0.00 0.21 0.00 0.00 52.86 52.75 1pk0 s ASN 706 Cb 0.01 -1.61 0.57 0.00 -0.55 0.00 0.00 41.25 39.67 1pk0 s ASN 706 CO 0.01 -0.09 1.27 -1.20 -2.79 0.00 0.00 177.10 174.30 1pk0 n SER 707 N 4.65 0.27 0.20 -4.21 7.64 -1.26 -1.03 113.62 119.87 1pk0 n SER 707 Ca -0.18 0.58 0.06 0.00 1.01 0.00 0.00 58.87 60.34 1pk0 n SER 707 Cb 0.48 -0.59 0.55 0.00 -1.01 0.00 0.00 64.21 63.64 1pk0 n SER 707 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pk0 h ALA 708 N 1.73 1.85 0.00 -0.43 0.00 -1.98 -2.01 119.26 118.41 1pk0 h ALA 708 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1pk0 h ALA 708 Cb 0.17 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1pk0 h ALA 708 CO 0.00 0.12 0.09 0.09 0.00 0.00 0.00 179.25 179.55 1pk0 n ASN 709 N -4.46 0.00 -0.34 0.00 4.13 -0.20 -2.71 115.26 111.67 1pk0 n ASN 709 Ca -0.02 0.26 0.00 0.00 1.68 0.00 0.00 54.58 56.50 1pk0 n ASN 709 Cb 0.13 -0.26 0.00 0.00 -1.54 0.00 0.00 39.78 38.11 1pk0 n ASN 709 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1pk0 n HIS 710 N -1.22 0.00 -0.19 3.10 1.44 -0.76 -2.33 115.22 115.26 1pk0 n HIS 710 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1pk0 n HIS 710 Cb 0.09 -0.07 0.00 0.00 0.12 0.00 0.00 29.99 30.13 1pk0 n HIS 710 CO 0.00 0.00 0.00 0.44 -2.81 0.00 0.00 176.34 173.97 1pk0 n ILE 711 N -0.14 0.00 -3.27 0.61 -5.35 -1.10 -5.06 119.36 105.04 1pk0 n ILE 711 Ca 0.00 -0.37 -0.20 0.00 -0.27 0.00 0.00 62.75 61.91 1pk0 n ILE 711 Cb 0.17 1.19 0.02 0.00 -1.74 0.00 0.00 39.64 39.27 1pk0 n ILE 711 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 1pk0 s PHE 712 N -0.19 2.09 0.17 4.28 0.40 -0.99 -5.12 117.98 118.63 1pk0 s PHE 712 Ca 0.00 -0.61 -0.07 0.00 -0.60 0.00 0.00 56.93 55.65 1pk0 s PHE 712 Cb 0.00 -2.20 -0.06 0.00 0.51 0.00 0.00 43.02 41.27 1pk0 s PHE 712 CO 0.00 -0.63 0.45 -1.54 0.70 0.00 0.00 175.22 174.19 1pk0 s SER 713 N -4.41 6.56 0.17 1.36 1.04 -1.26 -4.85 113.70 112.31 1pk0 s SER 713 Ca 0.53 0.74 -0.25 0.00 0.48 0.00 0.00 55.95 57.45 1pk0 s SER 713 Cb -0.06 -2.15 0.05 0.00 0.10 0.00 0.00 66.02 63.96 1pk0 s SER 713 CO 0.32 0.02 1.57 1.56 0.98 0.00 0.00 173.24 177.69 1pk0 h GLN 714 N 2.83 -0.20 -0.94 4.02 1.08 -1.98 1.41 115.11 121.34 1pk0 h GLN 714 Ca -0.47 0.01 0.28 0.00 -1.45 0.00 0.00 58.65 57.03 1pk0 h GLN 714 Cb 1.17 0.04 -0.15 0.00 -0.05 0.00 0.00 27.48 28.49 1pk0 h GLN 714 CO 0.70 -0.13 0.36 1.49 -0.95 0.00 0.00 178.83 180.31 1pk0 h GLU 715 N -0.20 0.22 0.44 1.46 4.57 -2.00 0.15 114.58 119.21 1pk0 h GLU 715 Ca 0.19 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.34 1pk0 h GLU 715 Cb 0.56 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1pk0 h GLU 715 CO -0.72 0.15 -0.21 -0.22 -1.18 0.00 0.00 179.01 176.83 1pk0 h LYS 716 N 0.23 -0.57 -0.53 1.92 1.63 0.11 -3.14 116.57 116.21 1pk0 h LYS 716 Ca 0.64 0.04 0.05 0.00 -0.85 0.00 0.00 60.65 60.53 1pk0 h LYS 716 Cb 1.40 0.13 -0.07 0.00 -0.60 0.00 0.00 32.23 33.09 1pk0 h LYS 716 CO -0.66 -0.28 -0.33 0.87 -3.45 0.00 0.00 179.45 175.60 1pk0 h LYS 717 N -1.03 -0.02 -0.70 1.90 1.57 0.33 0.82 116.57 119.43 1pk0 h LYS 717 Ca -0.06 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.86 1pk0 h LYS 717 Cb 0.55 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.74 1pk0 h LYS 717 CO 0.10 -0.01 -0.19 0.00 -0.57 0.00 0.00 179.45 178.77 1pk0 h ARG 718 N -0.02 -0.01 0.13 3.15 3.08 -1.11 0.21 114.38 119.80 1pk0 h ARG 718 Ca 0.09 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 1pk0 h ARG 718 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1pk0 h ARG 718 CO -0.51 -0.01 -0.15 0.87 -1.07 0.00 0.00 179.97 179.10 1pk0 h LYS 719 N -0.01 -0.27 -1.00 0.04 1.57 -0.85 1.06 116.57 117.11 1pk0 h LYS 719 Ca 0.33 0.02 0.22 0.00 -1.87 0.00 0.00 60.65 59.36 1pk0 h LYS 719 Cb 0.52 0.06 -0.10 0.00 0.08 0.00 0.00 32.23 32.80 1pk0 h LYS 719 CO -0.73 -0.18 0.62 -0.84 -0.57 0.00 0.00 179.45 177.75 1pk0 h ILE 720 N -0.28 0.62 0.29 1.86 3.07 -0.55 -1.01 117.51 121.51 1pk0 h ILE 720 Ca -0.02 -0.19 -0.01 0.00 1.55 0.00 0.00 64.86 66.19 1pk0 h ILE 720 Cb 0.25 0.01 0.00 0.00 -0.27 0.00 0.00 36.82 36.81 1pk0 h ILE 720 CO -0.03 0.10 -0.14 0.28 -1.05 0.00 0.00 178.15 177.32 1pk0 h SER 721 N 0.57 -0.33 -1.00 2.16 0.02 -0.26 -1.61 113.55 113.11 1pk0 h SER 721 Ca 0.58 -0.19 0.36 0.00 -0.84 0.00 0.00 61.79 61.70 1pk0 h SER 721 Cb 1.18 0.08 -0.16 0.00 0.14 0.00 0.00 62.40 63.64 1pk0 h SER 721 CO -0.34 0.15 0.56 0.40 -1.14 0.00 0.00 176.83 176.47 1pk0 h ILE 722 N -0.96 0.19 0.52 3.27 2.04 0.19 0.94 117.51 123.70 1pk0 h ILE 722 Ca -0.04 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1pk0 h ILE 722 Cb 0.49 -0.03 0.01 0.00 -0.74 0.00 0.00 36.82 36.54 1pk0 h ILE 722 CO 0.06 0.04 -0.25 0.15 0.00 0.00 0.00 178.15 178.15 1pk0 h PHE 723 N 0.20 -0.64 -1.35 1.37 3.57 -1.19 -2.42 116.94 116.48 1pk0 h PHE 723 Ca 0.78 -0.02 0.41 0.00 3.53 0.00 0.00 57.97 62.67 1pk0 h PHE 723 Cb 1.89 0.21 -0.10 0.00 2.79 0.00 0.00 35.95 40.75 1pk0 h PHE 723 CO -0.01 -0.40 0.90 0.00 -2.23 0.00 0.00 178.31 176.57 1pk0 h ARG 724 N -1.16 0.11 0.14 1.11 3.08 0.08 0.73 114.38 118.47 1pk0 h ARG 724 Ca -0.07 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.97 1pk0 h ARG 724 Cb 0.53 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.56 1pk0 h ARG 724 CO 0.12 0.07 -0.07 0.78 -1.07 0.00 0.00 179.97 179.81 1pk0 h GLY 725 N 0.12 -0.19 1.24 0.04 0.00 -0.90 -2.15 103.07 101.23 1pk0 h GLY 725 Ca 0.76 0.07 0.10 0.00 0.00 0.00 0.00 47.33 48.26 1pk0 h GLY 725 CO -0.27 -0.07 0.29 -2.22 0.00 0.00 0.00 176.54 174.27 1pk0 h ILE 726 N -0.72 0.84 0.43 2.60 2.04 0.66 0.16 117.51 123.53 1pk0 h ILE 726 Ca -0.02 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1pk0 h ILE 726 Cb 0.52 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1pk0 h ILE 726 CO 0.03 0.02 -0.21 1.56 0.00 0.00 0.00 178.15 179.55 1pk0 h GLN 727 N 0.10 -0.56 -0.84 2.37 4.20 0.35 -2.70 115.11 118.04 1pk0 h GLN 727 Ca 0.19 0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 1pk0 h GLN 727 Cb 0.63 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.50 1pk0 h GLN 727 CO -0.02 -0.31 0.44 0.00 -0.67 0.00 0.00 178.83 178.27 1pk0 h ALA 728 N -0.16 1.08 0.00 3.87 0.00 -0.55 -0.79 119.26 122.71 1pk0 h ALA 728 Ca -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1pk0 h ALA 728 Cb 0.50 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1pk0 h ALA 728 CO 0.10 0.61 0.06 -0.92 0.00 0.00 0.00 179.25 179.09 1pk0 h TYR 729 N 1.18 0.00 0.00 0.00 3.20 -0.64 -1.65 116.97 119.06 1pk0 h TYR 729 Ca 0.29 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 62.15 1pk0 h TYR 729 Cb 0.06 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.33 1pk0 h TYR 729 CO 0.01 0.00 -0.51 -0.97 -1.64 0.00 0.00 178.16 175.05 1pk0 h ASN 730 N 0.00 0.00 0.00 -2.11 -1.24 -0.83 -2.64 115.58 108.77 1pk0 h ASN 730 Ca 0.00 -0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.98 1pk0 h ASN 730 Cb 0.11 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.16 1pk0 h ASN 730 CO 0.00 0.78 0.07 -0.62 -1.29 0.00 0.00 177.43 176.36 1pk0 n GLU 731 N -4.62 0.00 -0.10 6.67 -0.58 -0.91 -1.03 120.64 120.07 1pk0 n GLU 731 Ca -0.08 0.21 -0.19 0.00 -0.42 0.00 0.00 57.16 56.68 1pk0 n GLU 731 Cb 0.27 -1.57 -0.06 0.00 -0.57 0.00 0.00 31.44 29.51 1pk0 n GLU 731 CO 0.00 0.00 0.00 -0.89 -0.48 0.00 0.00 177.13 175.76 1pk0 n ILE 732 N -1.15 1.36 -0.31 -3.67 5.41 -0.66 -4.24 119.36 116.10 1pk0 n ILE 732 Ca 0.00 -0.14 0.23 0.00 1.00 0.00 0.00 62.75 63.84 1pk0 n ILE 732 Cb 0.07 -1.98 0.52 0.00 -0.71 0.00 0.00 39.64 37.54 1pk0 n ILE 732 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 1pk0 h GLU 733 N -0.85 0.36 0.00 0.38 4.57 -0.69 0.39 114.58 118.74 1pk0 h GLU 733 Ca -0.38 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 1pk0 h GLU 733 Cb 1.27 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1pk0 h GLU 733 CO -0.23 0.24 0.00 -2.95 -1.18 0.00 0.00 179.01 174.89 1pk0 h ASN 734 N 0.37 0.00 -0.24 1.04 7.08 -1.51 -1.33 115.58 120.98 1pk0 h ASN 734 Ca 0.58 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 53.60 1pk0 h ASN 734 Cb 1.52 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.77 1pk0 h ASN 734 CO -0.26 0.00 -0.62 0.58 -2.08 0.00 0.00 177.43 175.04 1pk0 h VAL 735 N 0.00 1.27 0.00 6.14 2.07 -0.40 -1.85 116.25 123.48 1pk0 h VAL 735 Ca 0.00 -1.81 -0.07 0.00 0.82 0.00 0.00 66.70 65.65 1pk0 h VAL 735 Cb 0.86 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.37 1pk0 h VAL 735 CO 0.00 0.58 -0.31 -0.07 0.02 0.00 0.00 177.57 177.79 1pk0 h LEU 736 N 0.62 0.00 0.00 2.57 3.38 -1.42 -2.11 115.31 118.35 1pk0 h LEU 736 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1pk0 h LEU 736 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 1pk0 h LEU 736 CO 0.14 0.31 0.00 1.17 0.09 0.00 0.00 178.44 180.15 1pk0 n LYS 737 N -3.30 0.08 -0.09 1.13 3.00 -0.51 -4.18 118.16 114.30 1pk0 n LYS 737 Ca 0.01 0.08 -0.10 0.00 -0.00 0.00 0.00 58.31 58.31 1pk0 n LYS 737 Cb 0.56 -1.50 -0.03 0.00 0.00 0.00 0.00 35.03 34.06 1pk0 n LYS 737 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1pk0 n SER 738 N -1.45 1.88 -3.47 3.14 7.64 -0.73 -5.04 113.62 115.59 1pk0 n SER 738 Ca 0.07 0.47 -0.14 0.00 1.01 0.00 0.00 58.87 60.28 1pk0 n SER 738 Cb 0.26 -0.82 -0.04 0.00 -1.01 0.00 0.00 64.21 62.60 1pk0 n SER 738 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1pk0 s LYS 739 N -2.55 1.15 0.79 1.43 2.47 -1.12 -5.07 119.74 116.84 1pk0 s LYS 739 Ca -0.23 -0.14 -0.11 0.00 -1.56 0.00 0.00 55.97 53.93 1pk0 s LYS 739 Cb 0.04 0.53 0.07 0.00 -1.46 0.00 0.00 37.83 37.01 1pk0 s LYS 739 CO 0.35 -0.44 1.09 -0.65 0.16 0.00 0.00 175.35 175.86 1pk0 s GLN 740 N -2.56 2.15 0.00 4.03 1.11 -1.26 -4.65 119.66 118.47 1pk0 s GLN 740 Ca -0.04 0.68 0.00 0.00 0.01 0.00 0.00 55.36 56.01 1pk0 s GLN 740 Cb -0.01 -1.92 0.00 0.00 -1.01 0.00 0.00 33.01 30.07 1pk0 s GLN 740 CO -0.03 -1.59 0.00 -0.89 0.01 0.00 0.00 175.29 172.80 1pk0 n ILE 741 N -3.42 0.00 -3.72 1.08 2.08 -1.26 -5.06 119.36 109.06 1pk0 n ILE 741 Ca 0.07 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.26 1pk0 n ILE 741 Cb 0.56 -0.73 -0.11 0.00 -0.75 0.00 0.00 39.64 38.60 1pk0 n ILE 741 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1pk0 s ALA 742 N -1.95 -0.86 0.24 -1.39 0.00 -1.26 -5.05 121.76 111.49 1pk0 s ALA 742 Ca 0.00 1.21 -0.05 0.00 0.00 0.00 0.00 51.96 53.11 1pk0 s ALA 742 Cb 0.00 -0.73 0.46 0.00 0.00 0.00 0.00 23.12 22.85 1pk0 s ALA 742 CO 0.00 -0.21 1.67 -1.35 0.00 0.00 0.00 175.76 175.87 1pk0 h PRO 743 N 6.60 0.22 0.00 0.00 0.11 -2.00 -1.61 132.00 135.31 1pk0 h PRO 743 Ca -0.34 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.63 1pk0 h PRO 743 Cb 1.18 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1pk0 h PRO 743 CO 0.31 0.15 -0.58 0.93 -0.21 0.00 0.00 178.00 178.60 1pk0 h GLU 744 N 0.23 0.00 -0.03 1.05 4.39 -1.99 -3.09 114.58 115.14 1pk0 h GLU 744 Ca 0.41 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 60.03 1pk0 h GLU 744 Cb 0.71 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.35 1pk0 h GLU 744 CO -0.54 0.58 -0.38 1.88 -1.16 0.00 0.00 179.01 179.39 1pk0 h TYR 745 N 0.00 0.07 -0.20 4.33 -1.99 -1.72 -2.04 116.97 115.43 1pk0 h TYR 745 Ca -0.01 -0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 1pk0 h TYR 745 Cb 1.31 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 40.01 1pk0 h TYR 745 CO 0.00 0.44 0.10 -0.22 -0.00 0.00 0.00 178.16 178.48 1pk0 h LYS 746 N 0.05 0.28 -0.74 4.88 3.64 -1.30 -2.79 116.57 120.60 1pk0 h LYS 746 Ca 0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 1pk0 h LYS 746 Cb 0.70 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 1pk0 h LYS 746 CO 0.05 0.29 0.39 -0.91 -2.27 0.00 0.00 179.45 177.00 1pk0 h ASN 747 N 0.20 0.94 -0.99 4.20 4.21 -1.50 -1.44 115.58 121.20 1pk0 h ASN 747 Ca 0.07 -0.11 0.14 0.00 1.21 0.00 0.00 56.30 57.61 1pk0 h ASN 747 Cb 0.09 -0.24 -0.09 0.00 -1.12 0.00 0.00 38.32 36.97 1pk0 h ASN 747 CO -0.01 0.78 0.62 0.22 -1.29 0.00 0.00 177.43 177.75 1pk0 h TYR 748 N 1.03 1.07 0.06 1.19 3.20 -1.12 0.14 116.97 122.54 1pk0 h TYR 748 Ca 0.26 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.92 1pk0 h TYR 748 Cb 0.06 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 37.99 1pk0 h TYR 748 CO 0.00 0.37 -1.08 0.74 -1.64 0.00 0.00 178.16 176.56 1pk0 h PHE 749 N 0.88 0.36 0.00 -3.82 0.05 -1.18 -0.40 116.94 112.83 1pk0 h PHE 749 Ca 0.51 -0.24 -0.01 0.00 3.82 0.00 0.00 57.97 62.05 1pk0 h PHE 749 Cb 0.64 -0.02 -0.00 0.00 2.00 0.00 0.00 35.95 38.56 1pk0 h PHE 749 CO -0.00 1.14 -0.06 -0.56 -0.18 0.00 0.00 178.31 178.64 1pk0 h GLN 750 N 0.08 0.00 0.00 1.51 3.07 -0.21 0.73 115.11 120.29 1pk0 h GLN 750 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.66 1pk0 h GLN 750 Cb 1.78 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.34 1pk0 h GLN 750 CO 0.17 0.06 -0.03 -0.92 0.09 0.00 0.00 178.83 178.20 1pk0 h TYR 751 N 0.00 0.00 -0.55 0.06 3.20 -0.78 -3.06 116.97 115.83 1pk0 h TYR 751 Ca -0.00 0.00 0.10 0.00 3.14 0.00 0.00 58.73 61.97 1pk0 h TYR 751 Cb 0.34 0.00 -0.11 0.00 1.54 0.00 0.00 36.73 38.50 1pk0 h TYR 751 CO 0.00 0.07 -0.34 -0.07 -1.64 0.00 0.00 178.16 176.18 1pk0 h LEU 752 N -1.00 -1.18 -0.73 2.82 3.38 -0.85 -0.11 115.31 117.65 1pk0 h LEU 752 Ca -0.00 0.22 0.07 0.00 0.09 0.00 0.00 57.88 58.26 1pk0 h LEU 752 Cb 0.09 0.57 -0.09 0.00 0.09 0.00 0.00 40.66 41.33 1pk0 h LEU 752 CO -0.00 -0.31 -0.43 0.11 0.09 0.00 0.00 178.44 177.90 1pk0 h LYS 753 N -0.19 -0.00 -0.50 1.13 1.57 -0.98 0.47 116.57 118.07 1pk0 h LYS 753 Ca 0.21 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 59.09 1pk0 h LYS 753 Cb 0.55 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.77 1pk0 h LYS 753 CO -0.65 -0.00 -0.03 1.49 -0.57 0.00 0.00 179.45 179.69 1pk0 h GLU 754 N -0.00 0.08 0.13 3.15 4.81 -0.97 0.49 114.58 122.27 1pk0 h GLU 754 Ca 0.12 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1pk0 h GLU 754 Cb 0.30 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 1pk0 h GLU 754 CO -0.69 0.06 -0.09 0.00 -0.73 0.00 0.00 179.01 177.56 1pk0 h ARG 755 N 0.09 -0.21 -0.97 1.92 3.08 0.59 0.29 114.38 119.18 1pk0 h ARG 755 Ca 0.25 0.01 0.31 0.00 0.07 0.00 0.00 59.98 60.63 1pk0 h ARG 755 Cb 0.38 0.05 -0.18 0.00 0.08 0.00 0.00 29.97 30.30 1pk0 h ARG 755 CO -0.44 -0.14 0.19 -0.89 -1.07 0.00 0.00 179.97 177.62 1pk0 n ILE 756 N -2.80 -0.41 0.21 2.04 2.08 0.14 0.23 119.36 120.85 1pk0 n ILE 756 Ca -0.03 2.08 -0.12 0.00 0.56 0.00 0.00 62.75 65.24 1pk0 n ILE 756 Cb 0.09 -3.14 -0.06 0.00 -0.75 0.00 0.00 39.64 35.78 1pk0 n ILE 756 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 1pk0 h THR 757 N 0.00 0.00 -0.58 1.39 2.02 0.74 -1.64 112.91 114.84 1pk0 h THR 757 Ca 0.67 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.96 1pk0 h THR 757 Cb 1.53 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.85 1pk0 h THR 757 CO -0.86 0.00 0.03 0.78 0.37 0.00 0.00 175.52 175.84 1pk0 h ASN 758 N -0.68 -0.20 0.27 4.18 2.35 0.35 0.19 115.58 122.05 1pk0 h ASN 758 Ca -0.05 0.14 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1pk0 h ASN 758 Cb 0.57 0.23 -0.03 0.00 0.05 0.00 0.00 38.32 39.14 1pk0 h ASN 758 CO -0.01 -0.08 -0.38 -0.61 -1.65 0.00 0.00 177.43 174.70 1pk0 h GLN 759 N 0.14 -0.69 0.22 0.81 5.75 -0.86 0.31 115.11 120.80 1pk0 h GLN 759 Ca 0.30 0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.84 1pk0 h GLN 759 Cb 0.48 0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.17 1pk0 h GLN 759 CO -0.47 -0.46 -0.23 0.28 -2.65 0.00 0.00 178.83 175.30 1pk0 h VAL 760 N -0.71 0.00 -1.27 2.39 2.07 -0.71 -0.31 116.25 117.70 1pk0 h VAL 760 Ca -0.01 0.00 0.37 0.00 0.82 0.00 0.00 66.70 67.88 1pk0 h VAL 760 Cb 0.68 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 1pk0 h VAL 760 CO -0.13 0.00 1.07 -0.61 0.02 0.00 0.00 177.57 177.91 1pk0 h GLN 761 N -0.46 0.00 -0.01 1.57 5.75 -0.51 0.43 115.11 121.89 1pk0 h GLN 761 Ca -0.03 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.45 1pk0 h GLN 761 Cb 0.40 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.95 1pk0 h GLN 761 CO -0.03 0.00 -0.08 1.25 -2.65 0.00 0.00 178.83 177.32 1pk0 h LEU 762 N 0.00 0.09 -0.99 -2.39 5.85 0.11 -2.69 115.31 115.29 1pk0 h LEU 762 Ca 0.60 -0.73 0.05 0.00 0.84 0.00 0.00 57.88 58.64 1pk0 h LEU 762 Cb 2.73 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 43.67 1pk0 h LEU 762 CO -0.01 0.80 0.64 -0.07 -0.34 0.00 0.00 178.44 179.47 1pk0 h LEU 763 N -0.63 1.05 -0.07 2.25 3.38 0.14 -1.74 115.31 119.70 1pk0 h LEU 763 Ca -0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1pk0 h LEU 763 Cb 0.81 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1pk0 h LEU 763 CO 0.02 0.70 0.03 -0.07 0.09 0.00 0.00 178.44 179.21 1pk0 h LEU 764 N 1.21 0.09 -0.23 1.67 3.38 -1.25 -1.11 115.31 119.07 1pk0 h LEU 764 Ca 0.41 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1pk0 h LEU 764 Cb 0.08 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1pk0 h LEU 764 CO -0.15 0.18 0.00 0.35 0.09 0.00 0.00 178.44 178.91 1pk0 n THR 765 N -4.98 1.04 0.23 0.22 -2.24 -1.01 0.17 114.28 107.70 1pk0 n THR 765 Ca -0.06 0.28 0.12 0.00 -2.27 0.00 0.00 64.05 62.12 1pk0 n THR 765 Cb 0.09 -1.11 0.47 0.00 -2.10 0.00 0.00 70.33 67.68 1pk0 n THR 765 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1pk0 h HIS 766 N 0.00 0.00 0.00 4.78 6.17 -0.28 -3.41 115.15 122.41 1pk0 h HIS 766 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1pk0 h HIS 766 Cb 0.25 0.00 0.00 0.00 2.52 0.00 0.00 27.41 30.18 1pk0 h HIS 766 CO 0.00 0.16 -0.60 1.04 0.71 0.00 0.00 177.93 179.24 1pk0 n GLN 767 N -3.27 0.00 0.00 5.26 6.02 0.35 -5.10 117.38 120.64 1pk0 n GLN 767 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1pk0 n GLN 767 Cb 0.42 -0.41 0.00 0.00 1.02 0.00 0.00 30.24 31.27 1pk0 n GLN 767 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 1pk0 n LYS 768 N -2.65 0.00 0.00 -1.09 4.81 0.44 -5.11 118.16 114.57 1pk0 n LYS 768 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1pk0 n LYS 768 Cb 0.30 -0.01 0.00 0.00 0.02 0.00 0.00 35.03 35.34 1pk0 n LYS 768 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1pk0 n PHE 773 N -1.65 0.00 -0.30 5.64 7.35 -1.26 -4.73 117.46 122.52 1pk0 n PHE 773 Ca 0.00 0.00 0.20 0.00 -0.76 0.00 0.00 57.45 56.89 1pk0 n PHE 773 Cb 0.00 0.00 0.49 0.00 0.35 0.00 0.00 39.48 40.32 1pk0 n PHE 773 CO 0.00 0.00 0.00 0.87 -0.76 0.00 0.00 176.76 176.87 1pk0 h LYS 774 N 0.00 0.42 -0.78 -4.13 1.57 -1.99 -0.18 116.57 111.49 1pk0 h LYS 774 Ca 0.00 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.89 1pk0 h LYS 774 Cb 0.00 -0.09 -0.14 0.00 0.08 0.00 0.00 32.23 32.08 1pk0 h LYS 774 CO 0.00 0.28 -0.31 1.37 -0.57 0.00 0.00 179.45 180.22 1pk0 h LEU 775 N 0.43 -1.13 -2.24 2.94 -0.00 -2.04 0.86 115.31 114.14 1pk0 h LEU 775 Ca 0.54 0.26 0.00 0.00 -0.00 0.00 0.00 57.88 58.68 1pk0 h LEU 775 Cb 1.32 0.61 0.00 0.00 -0.00 0.00 0.00 40.66 42.59 1pk0 h LEU 775 CO -0.25 -0.29 0.00 0.18 -0.00 0.00 0.00 178.44 178.08 1pk0 n LEU 776 N -5.47 3.35 -0.06 0.17 4.32 -0.11 -3.93 117.00 115.27 1pk0 n LEU 776 Ca 0.08 -1.69 0.00 0.00 -0.02 0.00 0.00 56.01 54.38 1pk0 n LEU 776 Cb 0.39 -0.54 -0.16 0.00 -1.62 0.00 0.00 43.42 41.48 1pk0 n LEU 776 CO -0.05 0.47 -0.96 0.00 -1.22 0.00 0.00 177.39 175.64 1pk0 n TYR 777 N 0.41 0.00 0.17 -1.77 9.36 0.30 -4.27 117.16 121.35 1pk0 n TYR 777 Ca 0.15 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.39 1pk0 n TYR 777 Cb 0.69 -0.74 0.30 0.00 -0.63 0.00 0.00 39.34 38.96 1pk0 n TYR 777 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1pk0 h LYS 778 N 0.00 0.00 -3.53 2.98 1.79 -1.63 -3.34 116.57 112.84 1pk0 h LYS 778 Ca -0.28 0.00 -0.79 0.00 -2.18 0.00 0.00 60.65 57.40 1pk0 h LYS 778 Cb 1.62 0.00 -0.29 0.00 -1.58 0.00 0.00 32.23 31.98 1pk0 h LYS 778 CO 0.02 0.45 0.42 0.00 -1.08 0.00 0.00 179.45 179.26 1pk0 n GLN 779 N -3.93 3.49 -3.52 3.15 10.64 -1.26 -4.96 117.38 120.99 1pk0 n GLN 779 Ca -0.01 -4.46 -0.09 0.00 -1.83 0.00 0.00 57.00 50.60 1pk0 n GLN 779 Cb 0.49 -2.54 -0.02 0.00 -0.86 0.00 0.00 30.24 27.30 1pk0 n GLN 779 CO 0.00 0.00 0.00 -0.48 -1.83 0.00 0.00 177.06 174.75 1pk0 s LEU 780 N -1.33 -0.37 0.26 2.61 0.05 -1.26 -4.94 118.68 113.71 1pk0 s LEU 780 Ca 0.31 0.07 -0.05 0.00 0.05 0.00 0.00 54.13 54.51 1pk0 s LEU 780 Cb -0.09 2.00 -0.05 0.00 -2.05 0.00 0.00 46.19 45.99 1pk0 s LEU 780 CO -0.08 -0.57 0.52 0.21 -0.55 0.00 0.00 176.35 175.88 1pk0 s ASN 781 N -2.26 6.46 0.00 1.48 3.04 -1.26 -4.98 114.94 117.41 1pk0 s ASN 781 Ca 0.04 0.69 0.00 0.00 0.04 0.00 0.00 52.86 53.63 1pk0 s ASN 781 Cb -0.01 -2.13 0.00 0.00 -1.54 0.00 0.00 41.25 37.57 1pk0 s ASN 781 CO -0.07 -0.15 0.00 0.49 -3.04 0.00 0.00 177.10 174.33 1pk0 n PHE 782 N -0.75 0.00 0.29 0.43 3.01 -1.26 -5.00 117.46 114.18 1pk0 n PHE 782 Ca -0.02 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.56 1pk0 n PHE 782 Cb 0.54 0.15 0.58 0.00 -0.01 0.00 0.00 39.48 40.73 1pk0 n PHE 782 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 1pk0 h THR 783 N 0.00 0.03 -1.32 4.37 1.35 -2.05 -3.41 112.91 111.88 1pk0 h THR 783 Ca 0.00 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.91 1pk0 h THR 783 Cb 0.69 0.46 -0.22 0.00 -1.73 0.00 0.00 68.15 67.35 1pk0 h THR 783 CO 0.00 0.00 -0.29 -1.61 -0.25 0.00 0.00 175.52 173.37 1pk0 s GLU 784 N -4.12 0.53 0.12 4.72 8.01 -1.26 -5.15 118.70 121.54 1pk0 s GLU 784 Ca -0.02 1.00 0.23 0.00 0.01 0.00 0.00 54.97 56.18 1pk0 s GLU 784 Cb 0.07 0.44 0.89 0.00 -4.31 0.00 0.00 34.13 31.23 1pk0 s GLU 784 CO 0.23 -0.55 1.70 0.27 0.01 0.00 0.00 175.26 176.91 1pk0 n ASN 785 N 5.42 0.37 -2.26 -0.19 0.23 -1.26 -4.63 115.26 112.94 1pk0 n ASN 785 Ca -0.03 0.57 0.00 0.00 -0.53 0.00 0.00 54.58 54.58 1pk0 n ASN 785 Cb 0.51 -0.65 0.00 0.00 -2.08 0.00 0.00 39.78 37.55 1pk0 n ASN 785 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1pk0 n GLU 786 N -1.88 1.68 -0.00 -3.83 -0.58 -1.26 -4.79 120.64 109.97 1pk0 n GLU 786 Ca 0.04 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.78 1pk0 n GLU 786 Cb 0.28 0.00 -0.00 0.00 -0.57 0.00 0.00 31.44 31.15 1pk0 n GLU 786 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 1pk0 n THR 787 N 0.00 0.01 0.00 2.62 -1.04 -1.26 -3.14 114.28 111.47 1pk0 n THR 787 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1pk0 n THR 787 Cb 0.00 -1.46 0.00 0.00 -1.82 0.00 0.00 70.33 67.05 1pk0 n THR 787 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1pk0 n ASP 788 N 2.91 0.94 0.24 8.00 2.03 -1.26 -4.59 116.55 124.82 1pk0 n ASP 788 Ca 0.00 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.47 1pk0 n ASP 788 Cb 0.00 0.00 0.85 0.00 -0.72 0.00 0.00 41.12 41.25 1pk0 n ASP 788 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 1pk0 h ASN 789 N 0.00 0.00 1.17 1.67 -0.26 -1.80 0.19 115.58 116.55 1pk0 h ASN 789 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1pk0 h ASN 789 Cb 0.57 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.83 1pk0 h ASN 789 CO 0.00 0.00 -0.48 0.15 -1.06 0.00 0.00 177.43 176.04 1pk0 h PHE 790 N 0.00 0.00 -0.02 1.19 3.57 -1.83 -3.37 116.94 116.48 1pk0 h PHE 790 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 1pk0 h PHE 790 Cb 0.05 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.79 1pk0 h PHE 790 CO 0.00 0.00 -0.03 0.93 -2.23 0.00 0.00 178.31 176.98 1pk0 h GLU 791 N 0.00 0.06 -0.16 1.11 4.39 -0.86 -3.14 114.58 115.97 1pk0 h GLU 791 Ca 0.00 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.70 1pk0 h GLU 791 Cb 0.83 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.45 1pk0 h GLU 791 CO 0.00 0.55 -0.05 0.28 -1.16 0.00 0.00 179.01 178.63 1pk0 h VAL 792 N -0.43 0.81 -0.71 3.13 2.07 -1.72 -2.81 116.25 116.59 1pk0 h VAL 792 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1pk0 h VAL 792 Cb 0.54 0.81 -0.12 0.00 -1.52 0.00 0.00 31.29 31.01 1pk0 h VAL 792 CO 0.01 0.00 -0.45 0.15 0.02 0.00 0.00 177.57 177.30 1pk0 h PHE 793 N -0.02 -1.33 -0.76 1.57 3.57 -1.72 -0.92 116.94 117.34 1pk0 h PHE 793 Ca 0.08 0.09 0.13 0.00 3.53 0.00 0.00 57.97 61.80 1pk0 h PHE 793 Cb 0.14 0.68 -0.13 0.00 2.79 0.00 0.00 35.95 39.43 1pk0 h PHE 793 CO -0.20 -0.41 -0.27 1.04 -2.23 0.00 0.00 178.31 176.24 1pk0 n GLN 794 N -5.40 -0.15 0.07 1.11 1.13 -1.06 0.57 117.38 113.66 1pk0 n GLN 794 Ca 0.03 1.17 -0.10 0.00 -1.94 0.00 0.00 57.00 56.16 1pk0 n GLN 794 Cb 0.35 -1.74 -0.01 0.00 0.11 0.00 0.00 30.24 28.95 1pk0 n GLN 794 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 1pk0 h LYS 795 N 0.00 0.32 -0.64 -1.09 1.57 -1.29 -3.32 116.57 112.12 1pk0 h LYS 795 Ca 0.29 -0.32 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1pk0 h LYS 795 Cb 0.48 0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 1pk0 h LYS 795 CO -0.76 1.00 0.33 0.82 -0.57 0.00 0.00 179.45 180.28 1pk0 h ILE 796 N 0.19 0.92 0.00 1.86 1.08 0.12 -2.21 117.51 119.47 1pk0 h ILE 796 Ca -0.05 -0.21 -0.00 0.00 -0.39 0.00 0.00 64.86 64.21 1pk0 h ILE 796 Cb 1.47 0.26 -0.00 0.00 -3.07 0.00 0.00 36.82 35.48 1pk0 h ILE 796 CO 0.14 0.11 -0.00 0.16 -0.69 0.00 0.00 178.15 177.87 1pk0 h ILE 797 N 0.61 0.01 -0.01 -0.67 -0.00 -1.50 -3.51 117.51 112.43 1pk0 h ILE 797 Ca 0.30 -0.25 0.00 0.00 -0.00 0.00 0.00 64.86 64.91 1pk0 h ILE 797 Cb 0.23 1.24 0.00 0.00 -0.00 0.00 0.00 36.82 38.29 1pk0 h ILE 797 CO -0.21 0.00 0.00 0.47 -0.00 0.00 0.00 178.15 178.42