#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk5 n SER 319 N 0.00 -2.19 -3.98 0.00 2.88 -1.26 -5.03 113.62 104.04 1pk5 n SER 319 Ca 0.00 -0.01 -0.30 0.00 -1.33 0.00 0.00 58.87 57.23 1pk5 n SER 319 Cb 0.00 -1.56 -0.16 0.00 -0.75 0.00 0.00 64.21 61.74 1pk5 n SER 319 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1pk5 s ILE 320 N -2.26 1.63 0.90 2.46 1.01 -1.26 -4.82 121.20 118.87 1pk5 s ILE 320 Ca 0.00 -1.11 -0.11 0.00 0.00 0.00 0.00 60.65 59.43 1pk5 s ILE 320 Cb -0.00 -1.77 0.11 0.00 0.01 0.00 0.00 42.46 40.80 1pk5 s ILE 320 CO 0.00 0.07 0.99 -0.81 0.00 0.00 0.00 174.94 175.19 1pk5 n PRO 321 N 4.67 -0.27 -0.26 2.79 -0.04 -1.26 -4.80 135.00 135.83 1pk5 n PRO 321 Ca -0.14 -0.01 -0.06 0.00 -0.04 0.00 0.00 63.50 63.25 1pk5 n PRO 321 Cb 0.45 -2.27 0.05 0.00 -0.04 0.00 0.00 33.50 31.70 1pk5 n PRO 321 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1pk5 h HIS 322 N -1.57 0.97 -1.00 0.54 3.86 -1.99 -2.61 115.15 113.34 1pk5 h HIS 322 Ca -0.44 -0.02 0.09 0.00 -1.16 0.00 0.00 60.37 58.85 1pk5 h HIS 322 Cb 1.28 -0.31 -0.08 0.00 1.06 0.00 0.00 27.41 29.36 1pk5 h HIS 322 CO 0.46 0.68 0.64 1.25 0.86 0.00 0.00 177.93 181.83 1pk5 h LEU 323 N 0.98 0.98 -0.40 2.43 5.85 -1.98 -1.78 115.31 121.38 1pk5 h LEU 323 Ca 0.25 0.03 -0.17 0.00 0.84 0.00 0.00 57.88 58.83 1pk5 h LEU 323 Cb 0.03 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 40.88 1pk5 h LEU 323 CO -0.04 0.57 -0.56 0.40 -0.34 0.00 0.00 178.44 178.48 1pk5 h ILE 324 N 1.08 1.30 -0.42 4.05 2.04 -1.85 -2.57 117.51 121.14 1pk5 h ILE 324 Ca 0.47 -1.78 0.05 0.00 1.00 0.00 0.00 64.86 64.60 1pk5 h ILE 324 Cb 0.33 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.10 1pk5 h ILE 324 CO -0.22 0.57 0.28 -0.07 0.00 0.00 0.00 178.15 178.71 1pk5 h LEU 325 N 0.55 0.32 -0.15 1.44 3.38 -0.98 -1.04 115.31 118.82 1pk5 h LEU 325 Ca 0.01 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.75 1pk5 h LEU 325 Cb 1.13 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 41.82 1pk5 h LEU 325 CO 0.11 0.21 -0.95 -0.33 0.09 0.00 0.00 178.44 177.58 1pk5 h GLU 326 N 0.36 0.48 -0.30 1.13 4.39 -1.17 -2.78 114.58 116.69 1pk5 h GLU 326 Ca 0.18 -0.51 -0.04 0.00 0.34 0.00 0.00 59.36 59.33 1pk5 h GLU 326 Cb 0.25 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1pk5 h GLU 326 CO -0.04 1.15 0.02 -0.07 -1.16 0.00 0.00 179.01 178.91 1pk5 h LEU 327 N 0.28 0.50 -1.29 1.33 3.38 -0.99 -2.72 115.31 115.80 1pk5 h LEU 327 Ca -0.09 -0.29 0.08 0.00 0.09 0.00 0.00 57.88 57.68 1pk5 h LEU 327 Cb 1.58 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 42.14 1pk5 h LEU 327 CO 0.17 0.67 0.53 -0.07 0.09 0.00 0.00 178.44 179.83 1pk5 h LEU 328 N 0.32 0.73 -2.05 1.67 3.38 -1.24 0.40 115.31 118.53 1pk5 h LEU 328 Ca 0.09 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1pk5 h LEU 328 Cb 0.40 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 1pk5 h LEU 328 CO 0.01 0.45 -0.07 0.11 0.09 0.00 0.00 178.44 179.03 1pk5 h LYS 329 N 0.82 0.00 -0.00 1.13 1.57 -1.19 -1.17 116.57 117.72 1pk5 h LYS 329 Ca 0.37 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.15 1pk5 h LYS 329 Cb 0.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1pk5 h LYS 329 CO -0.14 0.07 -0.04 0.00 -0.57 0.00 0.00 179.45 178.77 1pk5 s GLU 331 N -2.38 4.71 0.62 0.00 0.41 -0.44 -4.90 118.70 116.72 1pk5 s GLU 331 Ca 0.33 1.71 -0.14 0.00 -0.41 0.00 0.00 54.97 56.46 1pk5 s GLU 331 Cb 0.21 -3.22 -0.03 0.00 -1.78 0.00 0.00 34.13 29.31 1pk5 s GLU 331 CO 0.44 0.31 1.05 -2.14 -0.49 0.00 0.00 175.26 174.42 1pk5 s PRO 332 N -1.34 3.29 -0.48 0.39 0.02 -1.26 -4.95 135.00 130.67 1pk5 s PRO 332 Ca 0.43 1.07 -0.28 0.00 0.02 0.00 0.00 61.00 62.24 1pk5 s PRO 332 Cb -0.30 -2.03 0.03 0.00 0.02 0.00 0.00 34.50 32.21 1pk5 s PRO 332 CO 0.38 -0.82 1.11 0.16 -0.33 0.00 0.00 177.00 177.50 1pk5 s ASP 333 N -3.20 6.61 0.24 2.53 -4.77 -1.26 -4.90 116.67 111.93 1pk5 s ASP 333 Ca 0.61 0.42 -0.06 0.00 -3.30 0.00 0.00 52.55 50.22 1pk5 s ASP 333 Cb -0.14 -2.54 0.45 0.00 -1.09 0.00 0.00 42.92 39.61 1pk5 s ASP 333 CO 0.43 -1.22 1.67 -0.08 0.70 0.00 0.00 175.17 176.66 1pk5 h GLU 334 N 9.20 0.19 -0.97 2.11 4.81 -2.00 -2.58 114.58 125.35 1pk5 h GLU 334 Ca -0.23 -0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.10 1pk5 h GLU 334 Cb 1.06 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 30.32 1pk5 h GLU 334 CO 1.11 0.13 0.60 -1.35 -0.73 0.00 0.00 179.01 178.77 1pk5 h PRO 335 N 0.20 0.92 0.00 0.92 0.11 -1.99 -0.74 132.00 131.41 1pk5 h PRO 335 Ca 0.41 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.35 1pk5 h PRO 335 Cb 0.72 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.61 1pk5 h PRO 335 CO -0.56 0.61 -0.57 0.37 -0.21 0.00 0.00 178.00 177.64 1pk5 h GLN 336 N 0.95 0.00 -0.30 1.05 5.75 -1.88 -1.99 115.11 118.68 1pk5 h GLN 336 Ca 0.48 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.81 1pk5 h GLN 336 Cb 0.48 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.02 1pk5 h GLN 336 CO -0.27 0.57 -0.48 0.28 -2.65 0.00 0.00 178.83 176.28 1pk5 h VAL 337 N 0.00 1.28 -0.28 2.39 2.07 -1.16 -1.09 116.25 119.47 1pk5 h VAL 337 Ca -0.01 -1.67 -0.05 0.00 0.82 0.00 0.00 66.70 65.79 1pk5 h VAL 337 Cb 1.27 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1pk5 h VAL 337 CO 0.07 0.54 -0.03 1.56 0.02 0.00 0.00 177.57 179.73 1pk5 h GLN 338 N 0.65 0.51 -0.32 1.57 4.20 -1.06 -0.88 115.11 119.78 1pk5 h GLN 338 Ca 0.03 -0.18 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 1pk5 h GLN 338 Cb 1.06 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.79 1pk5 h GLN 338 CO 0.11 0.69 0.17 0.00 -0.67 0.00 0.00 178.83 179.13 1pk5 h ALA 339 N 0.80 0.41 -0.78 3.87 0.00 -1.31 0.22 119.26 122.47 1pk5 h ALA 339 Ca 0.07 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1pk5 h ALA 339 Cb 0.49 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1pk5 h ALA 339 CO 0.02 -0.05 0.40 -0.22 0.00 0.00 0.00 179.25 179.40 1pk5 h LYS 340 N 0.39 1.10 -0.20 0.00 3.64 -1.13 -1.76 116.57 118.62 1pk5 h LYS 340 Ca 0.11 -0.14 -0.20 0.00 -1.27 0.00 0.00 60.65 59.14 1pk5 h LYS 340 Cb 0.08 -0.21 0.01 0.00 -0.41 0.00 0.00 32.23 31.70 1pk5 h LYS 340 CO -0.02 0.84 -0.67 0.82 -2.27 0.00 0.00 179.45 178.14 1pk5 h ILE 341 N 1.09 1.28 -0.19 2.00 2.04 -0.87 -2.66 117.51 120.19 1pk5 h ILE 341 Ca 0.27 -1.87 0.04 0.00 1.00 0.00 0.00 64.86 64.30 1pk5 h ILE 341 Cb 0.07 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 1pk5 h ILE 341 CO -0.04 0.60 -0.04 -0.03 0.00 0.00 0.00 178.15 178.64 1pk5 h MET 342 N 0.55 0.01 -0.08 2.37 4.05 -0.40 -2.00 114.93 119.44 1pk5 h MET 342 Ca -0.03 -0.00 0.02 0.00 -0.28 0.00 0.00 59.70 59.41 1pk5 h MET 342 Cb 1.30 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.08 1pk5 h MET 342 CO 0.14 0.01 -0.03 0.00 0.23 0.00 0.00 176.91 177.26 1pk5 h ALA 343 N 1.18 0.04 -0.47 0.39 0.00 -1.34 -0.91 119.26 118.16 1pk5 h ALA 343 Ca 0.09 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1pk5 h ALA 343 Cb 0.13 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.92 1pk5 h ALA 343 CO -0.18 -0.50 -0.06 -0.92 0.00 0.00 0.00 179.25 177.59 1pk5 h TYR 344 N -0.02 -0.13 -0.27 0.00 5.03 -1.18 0.25 116.97 120.63 1pk5 h TYR 344 Ca 0.04 0.04 -0.09 0.00 2.58 0.00 0.00 58.73 61.30 1pk5 h TYR 344 Cb 0.09 0.13 -0.01 0.00 1.55 0.00 0.00 36.73 38.49 1pk5 h TYR 344 CO -0.14 -0.15 -0.23 -0.07 -1.32 0.00 0.00 178.16 176.24 1pk5 h LEU 345 N 0.05 0.51 -0.97 2.82 3.38 -1.10 0.91 115.31 120.92 1pk5 h LEU 345 Ca 0.23 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 1pk5 h LEU 345 Cb 0.35 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1pk5 h LEU 345 CO -0.43 0.74 -0.33 1.56 0.09 0.00 0.00 178.44 180.07 1pk5 h GLN 346 N 0.46 0.34 0.41 1.13 4.20 -0.24 -1.08 115.11 120.33 1pk5 h GLN 346 Ca 0.07 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.62 1pk5 h GLN 346 Cb 0.65 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.42 1pk5 h GLN 346 CO 0.05 0.63 -0.20 1.96 -0.67 0.00 0.00 178.83 180.60 1pk5 h GLN 347 N 0.30 -0.53 -1.01 1.46 1.08 -0.40 1.46 115.11 117.47 1pk5 h GLN 347 Ca 0.04 0.04 0.24 0.00 -1.45 0.00 0.00 58.65 57.51 1pk5 h GLN 347 Cb 0.73 0.12 -0.11 0.00 -0.05 0.00 0.00 27.48 28.16 1pk5 h GLN 347 CO 0.06 -0.27 0.61 1.49 -0.95 0.00 0.00 178.83 179.77 1pk5 h GLU 348 N -1.07 0.57 0.00 1.46 4.57 -0.84 1.33 114.58 120.59 1pk5 h GLU 348 Ca -0.06 -0.03 -0.20 0.00 -1.18 0.00 0.00 59.36 57.89 1pk5 h GLU 348 Cb 0.51 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.93 1pk5 h GLU 348 CO 0.09 0.37 -1.30 0.37 -1.18 0.00 0.00 179.01 177.37 1pk5 h GLN 349 N 0.58 0.00 0.23 1.92 -0.00 -1.19 -3.34 115.11 113.31 1pk5 h GLN 349 Ca 0.62 0.00 -0.33 0.00 -0.00 0.00 0.00 58.65 58.94 1pk5 h GLN 349 Cb 1.21 0.00 0.03 0.00 0.00 0.00 0.00 27.48 28.72 1pk5 h GLN 349 CO -0.42 0.49 -1.45 1.03 0.00 0.00 0.00 178.83 178.49 1pk5 h SER 350 N 0.00 0.76 0.00 -0.69 0.87 0.48 -3.42 113.55 111.55 1pk5 h SER 350 Ca -0.15 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 59.59 1pk5 h SER 350 Cb 1.71 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 1pk5 h SER 350 CO 0.07 1.64 0.00 0.59 -0.53 0.00 0.00 176.83 178.61 1pk5 n ASN 351 N -3.67 0.00 -4.58 6.23 3.02 0.43 -3.59 115.26 113.09 1pk5 n ASN 351 Ca -0.15 0.84 -0.40 0.00 -0.03 0.00 0.00 54.58 54.83 1pk5 n ASN 351 Cb 1.09 -0.34 -0.03 0.00 -0.61 0.00 0.00 39.78 39.89 1pk5 n ASN 351 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pk5 s ARG 352 N -2.37 2.87 -0.41 3.52 3.03 -1.25 -4.84 118.95 119.49 1pk5 s ARG 352 Ca 0.00 1.38 0.04 0.00 2.03 0.00 0.00 55.73 59.18 1pk5 s ARG 352 Cb 0.00 -4.36 0.63 0.00 -1.03 0.00 0.00 34.95 30.19 1pk5 s ARG 352 CO 0.00 -2.41 1.85 0.27 -1.13 0.00 0.00 175.30 173.88 1pk5 n ASN 353 N 12.36 3.78 0.00 -2.89 2.04 -1.24 -4.77 115.26 124.55 1pk5 n ASN 353 Ca 0.27 -3.48 0.00 0.00 -0.44 0.00 0.00 54.58 50.93 1pk5 n ASN 353 Cb 0.49 -0.81 0.00 0.00 -2.53 0.00 0.00 39.78 36.93 1pk5 n ASN 353 CO 0.00 0.00 0.00 -1.14 -0.44 0.00 0.00 177.26 175.68 1pk5 n ARG 354 N -0.97 0.00 -2.24 -3.83 3.00 -1.26 -5.13 116.66 106.23 1pk5 n ARG 354 Ca 0.55 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.98 1pk5 n ARG 354 Cb 1.59 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 34.02 1pk5 n ARG 354 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.63 178.77 1pk5 s GLN 355 N 0.00 3.29 0.00 -0.14 0.00 -1.26 -4.08 119.66 117.47 1pk5 s GLN 355 Ca 0.00 0.83 0.00 0.00 -0.00 0.00 0.00 55.36 56.19 1pk5 s GLN 355 Cb 0.00 -4.15 0.00 0.00 0.00 0.00 0.00 33.01 28.86 1pk5 s GLN 355 CO 0.00 -1.93 0.00 -1.91 0.00 0.00 0.00 175.29 171.45 1pk5 n GLU 356 N 8.51 0.00 0.00 9.60 2.13 -1.26 -5.05 120.64 134.58 1pk5 n GLU 356 Ca 0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.99 1pk5 n GLU 356 Cb 0.49 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.20 1pk5 n GLU 356 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1pk5 n LYS 357 N 0.00 0.00 -3.52 5.31 3.00 -1.26 -5.06 118.16 116.63 1pk5 n LYS 357 Ca 0.00 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.95 1pk5 n LYS 357 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.97 1pk5 n LYS 357 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1pk5 n LEU 358 N 0.00 4.46 0.00 3.14 4.77 -1.26 -5.03 117.00 123.08 1pk5 n LEU 358 Ca 0.00 -5.19 0.00 0.00 -0.03 0.00 0.00 56.01 50.79 1pk5 n LEU 358 Cb 0.00 -1.07 0.00 0.00 -2.33 0.00 0.00 43.42 40.02 1pk5 n LEU 358 CO 0.00 1.64 0.00 -1.54 -1.33 0.00 0.00 177.39 176.16 1pk5 n SER 359 N 1.98 0.00 0.00 -1.43 3.41 -1.26 -5.06 113.62 111.26 1pk5 n SER 359 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 1pk5 n SER 359 Cb 0.37 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1pk5 n SER 359 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pk5 n ALA 360 N -3.00 0.17 -0.08 7.33 0.00 -1.26 -4.57 120.51 119.10 1pk5 n ALA 360 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1pk5 n ALA 360 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1pk5 n ALA 360 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1pk5 h PHE 361 N 0.00 0.05 0.00 0.00 3.57 -1.94 -3.27 116.94 115.34 1pk5 h PHE 361 Ca 0.00 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.46 1pk5 h PHE 361 Cb 0.00 -0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1pk5 h PHE 361 CO 0.00 1.35 -0.03 0.78 -2.23 0.00 0.00 178.31 178.18 1pk5 h GLY 362 N -0.87 0.00 1.02 2.40 0.00 -1.86 -1.93 103.07 101.82 1pk5 h GLY 362 Ca -0.23 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.90 1pk5 h GLY 362 CO -0.11 0.00 -0.69 1.41 0.00 0.00 0.00 176.54 177.15 1pk5 h LEU 363 N 0.00 0.77 -1.88 3.11 3.38 -1.81 0.42 115.31 119.30 1pk5 h LEU 363 Ca -0.00 -0.67 -0.03 0.00 0.09 0.00 0.00 57.88 57.28 1pk5 h LEU 363 Cb 0.08 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 1pk5 h LEU 363 CO 0.00 1.32 -0.13 -0.07 0.09 0.00 0.00 178.44 179.65 1pk5 h LEU 364 N 0.28 0.00 -0.22 1.67 3.38 -1.48 0.21 115.31 119.14 1pk5 h LEU 364 Ca -0.06 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.70 1pk5 h LEU 364 Cb 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 1pk5 h LEU 364 CO 0.14 0.13 -0.92 0.00 0.09 0.00 0.00 178.44 177.88 1pk5 h LYS 366 N 0.13 0.50 0.00 0.00 1.63 0.18 -2.12 116.57 116.88 1pk5 h LYS 366 Ca -0.06 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1pk5 h LYS 366 Cb 1.56 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 33.16 1pk5 h LYS 366 CO 0.15 0.71 0.00 0.00 -3.45 0.00 0.00 179.45 176.86 1pk5 h MET 367 N 0.25 0.00 -0.05 1.90 -0.00 -1.23 -2.75 114.93 113.05 1pk5 h MET 367 Ca 0.07 0.00 -0.25 0.00 -0.00 0.00 0.00 59.70 59.51 1pk5 h MET 367 Cb 0.53 0.00 0.02 0.00 -0.00 0.00 0.00 31.60 32.15 1pk5 h MET 367 CO 0.03 0.00 -0.96 0.00 -0.00 0.00 0.00 176.91 175.97 1pk5 h ALA 368 N 2.38 0.20 -0.12 -3.00 0.00 -1.19 -1.89 119.26 115.64 1pk5 h ALA 368 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1pk5 h ALA 368 Cb 0.75 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1pk5 h ALA 368 CO 0.00 0.69 0.08 0.22 0.00 0.00 0.00 179.25 180.24 1pk5 h ASP 369 N 0.43 0.14 -0.66 0.00 3.58 -1.23 0.06 116.42 118.74 1pk5 h ASP 369 Ca -0.10 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.32 1pk5 h ASP 369 Cb 1.60 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 42.59 1pk5 h ASP 369 CO 0.19 0.12 0.38 1.56 -2.88 0.00 0.00 179.24 178.60 1pk5 h GLN 370 N 0.15 0.91 -0.88 0.28 1.08 -1.52 -1.26 115.11 113.88 1pk5 h GLN 370 Ca 0.04 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 1pk5 h GLN 370 Cb -0.00 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.20 1pk5 h GLN 370 CO -0.01 0.67 0.57 1.15 -0.95 0.00 0.00 178.83 180.26 1pk5 h THR 371 N 0.90 1.23 -0.66 -0.54 2.02 -1.03 -1.18 112.91 113.66 1pk5 h THR 371 Ca 0.23 -0.44 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 1pk5 h THR 371 Cb 0.01 -0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.34 1pk5 h THR 371 CO -0.04 0.23 0.21 0.25 0.37 0.00 0.00 175.52 176.54 1pk5 h LEU 372 N 1.20 0.96 -0.65 2.58 6.46 -0.19 -0.25 115.31 125.41 1pk5 h LEU 372 Ca 0.32 -0.21 -0.05 0.00 -0.12 0.00 0.00 57.88 57.82 1pk5 h LEU 372 Cb -0.11 -0.25 -0.03 0.00 -0.73 0.00 0.00 40.66 39.54 1pk5 h LEU 372 CO -0.07 0.91 0.21 0.15 -0.62 0.00 0.00 178.44 179.02 1pk5 h PHE 373 N 0.96 1.05 -0.34 1.25 3.57 -0.52 -0.92 116.94 121.98 1pk5 h PHE 373 Ca 0.21 -0.11 -0.03 0.00 3.53 0.00 0.00 57.97 61.58 1pk5 h PHE 373 Cb 0.29 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 1pk5 h PHE 373 CO 0.02 0.85 0.09 1.03 -2.23 0.00 0.00 178.31 178.07 1pk5 h SER 374 N 0.95 0.46 -0.27 0.41 0.87 -0.79 -1.43 113.55 113.75 1pk5 h SER 374 Ca 0.21 -0.06 -0.17 0.00 -1.23 0.00 0.00 61.79 60.54 1pk5 h SER 374 Cb 0.29 -0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1pk5 h SER 374 CO -0.01 0.46 -0.47 0.40 -0.53 0.00 0.00 176.83 176.68 1pk5 h ILE 375 N 0.49 1.28 -0.57 2.23 2.04 -0.30 -1.72 117.51 120.97 1pk5 h ILE 375 Ca 0.12 -1.66 -0.10 0.00 1.00 0.00 0.00 64.86 64.22 1pk5 h ILE 375 Cb 0.19 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.79 1pk5 h ILE 375 CO -0.00 0.54 -0.05 0.58 0.00 0.00 0.00 178.15 179.22 1pk5 h VAL 376 N 0.67 1.27 -0.64 1.67 2.07 -0.76 -1.51 116.25 119.01 1pk5 h VAL 376 Ca 0.03 -1.20 -0.09 0.00 0.82 0.00 0.00 66.70 66.27 1pk5 h VAL 376 Cb 1.06 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1pk5 h VAL 376 CO 0.11 0.43 0.05 -0.33 0.02 0.00 0.00 177.57 177.84 1pk5 h GLU 377 N 0.92 1.10 -0.26 1.57 5.08 -1.23 -1.56 114.58 120.22 1pk5 h GLU 377 Ca 0.15 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1pk5 h GLU 377 Cb 0.61 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 1pk5 h GLU 377 CO 0.04 1.04 0.16 2.35 -1.00 0.00 0.00 179.01 181.60 1pk5 h TRP 378 N 1.02 0.33 -0.29 4.33 7.01 -1.01 -1.39 115.95 125.95 1pk5 h TRP 378 Ca 0.19 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.19 1pk5 h TRP 378 Cb 0.52 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 27.45 1pk5 h TRP 378 CO 0.04 0.24 0.17 0.00 -2.79 0.00 0.00 178.44 176.09 1pk5 h ALA 379 N 1.07 0.37 -0.56 2.65 0.00 -1.10 -0.60 119.26 121.08 1pk5 h ALA 379 Ca 0.09 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.98 1pk5 h ALA 379 Cb -0.00 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.63 1pk5 h ALA 379 CO -0.02 -0.12 0.33 0.00 0.00 0.00 0.00 179.25 179.44 1pk5 h ARG 380 N 0.36 0.64 -0.00 0.00 2.47 -1.11 -1.27 114.38 115.47 1pk5 h ARG 380 Ca 0.10 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1pk5 h ARG 380 Cb 0.03 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 28.21 1pk5 h ARG 380 CO -0.02 0.42 -0.02 0.43 0.56 0.00 0.00 179.97 181.34 1pk5 n SER 381 N -4.78 0.02 -4.72 7.04 7.64 -0.54 -4.17 113.62 114.11 1pk5 n SER 381 Ca 0.05 0.46 -0.42 0.00 1.01 0.00 0.00 58.87 59.96 1pk5 n SER 381 Cb 0.09 -0.47 -0.03 0.00 -1.01 0.00 0.00 64.21 62.79 1pk5 n SER 381 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1pk5 s SER 382 N -2.99 6.40 0.23 6.43 0.15 -0.24 -4.91 113.70 118.77 1pk5 s SER 382 Ca 0.14 2.84 -0.01 0.00 0.70 0.00 0.00 55.95 59.63 1pk5 s SER 382 Cb 0.19 -2.60 0.52 0.00 -1.71 0.00 0.00 66.02 62.42 1pk5 s SER 382 CO 0.53 -0.97 1.19 0.00 1.20 0.00 0.00 173.24 175.20 1pk5 n ILE 383 N 4.07 -0.32 -0.03 6.45 3.06 -1.26 -2.06 119.36 129.27 1pk5 n ILE 383 Ca 0.16 1.70 0.05 0.00 -2.50 0.00 0.00 62.75 62.16 1pk5 n ILE 383 Cb 0.36 -2.44 -0.15 0.00 0.54 0.00 0.00 39.64 37.95 1pk5 n ILE 383 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 1pk5 n PHE 384 N -5.11 0.00 -0.13 9.51 3.72 -1.26 -4.39 117.46 119.79 1pk5 n PHE 384 Ca 0.16 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.51 1pk5 n PHE 384 Cb 0.53 -0.54 0.12 0.00 -0.94 0.00 0.00 39.48 38.64 1pk5 n PHE 384 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1pk5 h PHE 385 N 0.00 0.93 0.00 1.38 3.57 -1.68 -2.60 116.94 118.54 1pk5 h PHE 385 Ca -0.11 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.24 1pk5 h PHE 385 Cb 1.17 -0.25 0.00 0.00 2.79 0.00 0.00 35.95 39.66 1pk5 h PHE 385 CO 0.00 0.86 0.00 2.89 -2.23 0.00 0.00 178.31 179.83 1pk5 n ARG 386 N -4.19 0.12 0.00 1.11 1.85 -0.87 -1.30 116.66 113.37 1pk5 n ARG 386 Ca 0.02 0.58 0.13 0.00 -1.00 0.00 0.00 57.85 57.58 1pk5 n ARG 386 Cb 0.32 -1.86 0.43 0.00 -1.05 0.00 0.00 32.46 30.31 1pk5 n ARG 386 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 1pk5 n GLU 387 N -2.10 0.41 -3.37 2.89 -0.58 -0.98 -4.88 120.64 112.03 1pk5 n GLU 387 Ca -0.01 -0.19 -0.31 0.00 -0.42 0.00 0.00 57.16 56.23 1pk5 n GLU 387 Cb 0.06 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.39 1pk5 n GLU 387 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1pk5 s LEU 388 N -2.73 4.12 0.46 -4.62 1.43 -0.42 -5.06 118.68 111.86 1pk5 s LEU 388 Ca 0.20 0.85 -0.21 0.00 -1.03 0.00 0.00 54.13 53.94 1pk5 s LEU 388 Cb 0.19 -3.64 -0.09 0.00 0.03 0.00 0.00 46.19 42.68 1pk5 s LEU 388 CO 0.57 -0.13 1.01 -0.54 0.23 0.00 0.00 176.35 177.50 1pk5 s LYS 389 N -3.10 3.97 0.58 1.70 1.02 -1.26 -4.77 119.74 117.88 1pk5 s LYS 389 Ca 0.46 1.32 0.37 0.00 0.02 0.00 0.00 55.97 58.14 1pk5 s LYS 389 Cb -0.11 -2.19 1.41 0.00 -0.52 0.00 0.00 37.83 36.42 1pk5 s LYS 389 CO 0.25 -0.28 1.57 0.28 -0.92 0.00 0.00 175.35 176.25 1pk5 h VAL 390 N 1.75 0.13 -0.18 3.17 2.07 -1.97 0.36 116.25 121.58 1pk5 h VAL 390 Ca -0.49 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 66.93 1pk5 h VAL 390 Cb 1.21 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1pk5 h VAL 390 CO 0.60 0.00 -0.29 -0.78 0.02 0.00 0.00 177.57 177.12 1pk5 h ASP 391 N 0.00 0.57 -0.10 0.57 3.58 -2.00 -2.51 116.42 116.53 1pk5 h ASP 391 Ca 0.63 -0.53 -0.15 0.00 0.42 0.00 0.00 57.03 57.40 1pk5 h ASP 391 Cb 2.87 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 43.75 1pk5 h ASP 391 CO -0.01 0.99 -0.47 0.44 -2.88 0.00 0.00 179.24 177.31 1pk5 h ASP 392 N 0.17 0.72 0.56 2.28 3.45 -0.67 -2.96 116.42 119.96 1pk5 h ASP 392 Ca 0.02 -0.35 -0.02 0.00 0.43 0.00 0.00 57.03 57.10 1pk5 h ASP 392 Cb 0.87 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 39.44 1pk5 h ASP 392 CO 0.07 1.07 -0.30 1.56 -1.57 0.00 0.00 179.24 180.07 1pk5 h GLN 393 N 0.52 -0.77 -0.86 3.56 4.20 -1.30 -2.46 115.11 118.01 1pk5 h GLN 393 Ca 0.03 0.05 0.11 0.00 0.06 0.00 0.00 58.65 58.91 1pk5 h GLN 393 Cb 1.02 0.18 -0.08 0.00 0.30 0.00 0.00 27.48 28.89 1pk5 h GLN 393 CO 0.10 -0.51 0.49 0.52 -0.67 0.00 0.00 178.83 178.75 1pk5 h MET 394 N -0.80 0.75 0.00 1.46 2.86 -1.49 -0.77 114.93 116.93 1pk5 h MET 394 Ca -0.07 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.46 1pk5 h MET 394 Cb 0.63 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 1pk5 h MET 394 CO 0.10 0.49 -0.29 0.87 1.06 0.00 0.00 176.91 179.14 1pk5 h LYS 395 N 0.77 0.00 0.23 1.72 1.57 -1.41 0.23 116.57 119.68 1pk5 h LYS 395 Ca 0.43 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.88 1pk5 h LYS 395 Cb 0.47 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.82 1pk5 h LYS 395 CO -0.29 0.29 -1.44 -0.07 -0.57 0.00 0.00 179.45 177.37 1pk5 h LEU 396 N 0.00 0.82 -0.58 2.94 3.38 -0.71 -3.07 115.31 118.10 1pk5 h LEU 396 Ca -0.00 -0.87 -0.16 0.00 0.09 0.00 0.00 57.88 56.94 1pk5 h LEU 396 Cb 0.56 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1pk5 h LEU 396 CO 0.04 1.68 -0.65 -0.07 0.09 0.00 0.00 178.44 179.52 1pk5 h LEU 397 N 0.16 0.29 -0.51 1.67 3.38 -1.09 -2.84 115.31 116.38 1pk5 h LEU 397 Ca -0.24 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.40 1pk5 h LEU 397 Cb 2.13 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 42.79 1pk5 h LEU 397 CO 0.27 0.86 -0.44 1.56 0.09 0.00 0.00 178.44 180.78 1pk5 h GLN 398 N 0.18 0.72 -0.00 1.13 4.20 -1.05 -0.50 115.11 119.78 1pk5 h GLN 398 Ca -0.01 -0.40 -0.11 0.00 0.06 0.00 0.00 58.65 58.19 1pk5 h GLN 398 Cb 1.18 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 1pk5 h GLN 398 CO 0.10 1.02 -0.52 -0.97 -0.67 0.00 0.00 178.83 177.79 1pk5 h ASN 399 N 0.58 0.01 0.00 1.46 -1.24 -1.51 -3.36 115.58 111.52 1pk5 h ASN 399 Ca 0.04 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.04 1pk5 h ASN 399 Cb 0.99 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.04 1pk5 h ASN 399 CO 0.09 0.53 0.00 0.00 -1.29 0.00 0.00 177.43 176.76 1pk5 h TRP 401 N 0.00 0.65 -0.13 0.00 5.08 -1.24 -0.74 115.95 119.56 1pk5 h TRP 401 Ca 0.00 0.03 -0.16 0.00 1.08 0.00 0.00 58.89 59.84 1pk5 h TRP 401 Cb 0.57 -0.17 -0.01 0.00 -3.00 0.00 0.00 29.16 26.55 1pk5 h TRP 401 CO 0.00 0.17 -0.59 0.66 -1.28 0.00 0.00 178.44 177.40 1pk5 h SER 402 N 0.57 0.50 -0.69 0.11 4.64 -1.88 -1.87 113.55 114.93 1pk5 h SER 402 Ca 0.41 -0.28 -0.05 0.00 -0.47 0.00 0.00 61.79 61.40 1pk5 h SER 402 Cb 0.53 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 1pk5 h SER 402 CO -0.34 0.97 0.24 -0.33 -0.87 0.00 0.00 176.83 176.51 1pk5 h GLU 403 N 0.33 1.07 -0.59 4.77 5.08 -1.71 -1.38 114.58 122.15 1pk5 h GLU 403 Ca -0.00 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.09 1pk5 h GLU 403 Cb 1.12 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.18 1pk5 h GLU 403 CO 0.10 0.89 0.14 -0.07 -1.00 0.00 0.00 179.01 179.07 1pk5 h LEU 404 N 1.03 0.90 -0.33 1.33 3.38 -0.92 -0.67 115.31 120.04 1pk5 h LEU 404 Ca 0.23 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1pk5 h LEU 404 Cb 0.25 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1pk5 h LEU 404 CO -0.01 0.91 0.21 -0.07 0.09 0.00 0.00 178.44 179.57 1pk5 h LEU 405 N 0.86 0.36 -0.50 1.67 3.38 -0.80 -0.34 115.31 119.94 1pk5 h LEU 405 Ca 0.19 -0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.01 1pk5 h LEU 405 Cb 0.36 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1pk5 h LEU 405 CO 0.00 0.26 -0.32 0.40 0.09 0.00 0.00 178.44 178.88 1pk5 h ILE 406 N 0.43 1.27 -0.72 1.22 2.04 -1.16 -1.89 117.51 118.71 1pk5 h ILE 406 Ca 0.12 -1.48 -0.05 0.00 1.00 0.00 0.00 64.86 64.46 1pk5 h ILE 406 Cb -0.04 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 1pk5 h ILE 406 CO -0.03 0.50 0.26 0.25 0.00 0.00 0.00 178.15 179.13 1pk5 h LEU 407 N 0.75 0.99 -0.42 1.44 5.85 -0.94 0.07 115.31 123.06 1pk5 h LEU 407 Ca 0.08 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.63 1pk5 h LEU 407 Cb 0.88 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 1pk5 h LEU 407 CO 0.08 0.90 0.21 -0.78 -0.34 0.00 0.00 178.44 178.51 1pk5 h ASP 408 N 1.05 0.55 -0.01 1.25 1.82 -0.83 -1.35 116.42 118.90 1pk5 h ASP 408 Ca 0.24 -0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 56.75 1pk5 h ASP 408 Cb 0.23 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.10 1pk5 h ASP 408 CO -0.02 0.52 0.00 -0.74 -1.61 0.00 0.00 179.24 177.40 1pk5 h HIS 409 N 0.54 0.01 -0.31 0.28 2.76 -0.79 -2.23 115.15 115.42 1pk5 h HIS 409 Ca 0.15 -0.00 0.05 0.00 -2.20 0.00 0.00 60.37 58.37 1pk5 h HIS 409 Cb 0.11 -0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.02 1pk5 h HIS 409 CO -0.01 0.14 0.02 0.82 -1.30 0.00 0.00 177.93 177.60 1pk5 h ILE 410 N -0.12 0.80 -0.68 6.26 2.04 -0.89 -1.52 117.51 123.41 1pk5 h ILE 410 Ca 0.00 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 1pk5 h ILE 410 Cb 0.13 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1pk5 h ILE 410 CO -0.00 0.02 0.23 0.22 0.00 0.00 0.00 178.15 178.63 1pk5 h TYR 411 N 0.12 1.05 -0.24 1.37 5.03 -1.23 -0.79 116.97 122.29 1pk5 h TYR 411 Ca 0.15 -0.09 -0.03 0.00 2.58 0.00 0.00 58.73 61.34 1pk5 h TYR 411 Cb 0.19 -0.31 -0.01 0.00 1.55 0.00 0.00 36.73 38.14 1pk5 h TYR 411 CO -0.21 0.83 0.02 -0.09 -1.32 0.00 0.00 178.16 177.39 1pk5 h ARG 412 N 1.00 0.34 -0.18 1.82 2.43 -0.85 -0.78 114.38 118.17 1pk5 h ARG 412 Ca 0.23 -0.05 -0.18 0.00 -0.81 0.00 0.00 59.98 59.16 1pk5 h ARG 412 Cb 0.25 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 29.74 1pk5 h ARG 412 CO -0.01 0.35 -0.62 1.96 -1.51 0.00 0.00 179.97 180.14 1pk5 h GLN 413 N 0.34 0.62 -0.17 0.20 1.08 -0.19 -0.88 115.11 116.11 1pk5 h GLN 413 Ca 0.08 -0.43 -0.02 0.00 -1.45 0.00 0.00 58.65 56.83 1pk5 h GLN 413 Cb 0.20 0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 1pk5 h GLN 413 CO 0.00 1.05 0.02 0.28 -0.95 0.00 0.00 178.83 179.24 1pk5 h VAL 414 N 0.46 1.23 0.00 -0.54 2.07 -0.62 0.36 116.25 119.21 1pk5 h VAL 414 Ca -0.01 -0.73 -0.08 0.00 0.82 0.00 0.00 66.70 66.70 1pk5 h VAL 414 Cb 1.20 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1pk5 h VAL 414 CO 0.12 0.22 -0.40 0.00 0.02 0.00 0.00 177.57 177.53 1pk5 h ALA 415 N 0.81 0.76 0.00 1.67 0.00 -1.20 -3.40 119.26 117.91 1pk5 h ALA 415 Ca 0.05 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1pk5 h ALA 415 Cb 0.31 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1pk5 h ALA 415 CO 0.00 0.50 0.00 0.72 0.00 0.00 0.00 179.25 180.47 1pk5 n HIS 416 N -3.22 0.00 -1.59 0.00 8.25 -0.34 -5.09 115.22 113.23 1pk5 n HIS 416 Ca 0.02 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.15 1pk5 n HIS 416 Cb 0.68 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.86 1pk5 n HIS 416 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1pk5 s GLY 417 N -0.33 2.26 0.00 -1.41 0.00 0.13 -4.83 107.32 103.13 1pk5 s GLY 417 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 44.72 45.44 1pk5 s GLY 417 CO 0.00 1.10 0.00 0.28 0.00 0.00 0.00 173.10 174.48 1pk5 n LYS 418 N -2.57 3.99 0.00 2.90 5.02 -1.26 -4.95 118.16 121.29 1pk5 n LYS 418 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 1pk5 n LYS 418 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 1pk5 n LYS 418 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1pk5 n GLU 419 N 0.00 0.00 -2.57 1.97 0.28 -1.26 -4.18 120.64 114.88 1pk5 n GLU 419 Ca 0.00 0.51 -0.20 0.00 -0.16 0.00 0.00 57.16 57.30 1pk5 n GLU 419 Cb 0.00 -1.01 0.01 0.00 1.43 0.00 0.00 31.44 31.87 1pk5 n GLU 419 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1pk5 n GLY 420 N -0.99 4.36 3.37 -1.84 0.00 -1.26 -5.05 105.19 103.77 1pk5 n GLY 420 Ca 0.00 -2.23 -0.18 0.00 0.00 0.00 0.00 46.02 43.61 1pk5 n GLY 420 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pk5 s THR 421 N -4.59 1.04 -0.10 2.61 -4.23 -1.26 -0.13 115.64 108.98 1pk5 s THR 421 Ca 0.40 -2.02 -0.00 0.00 -1.18 0.00 0.00 61.69 58.89 1pk5 s THR 421 Cb 0.42 -2.52 0.02 0.00 1.34 0.00 0.00 72.50 71.76 1pk5 s THR 421 CO -0.11 -0.19 -0.07 -0.63 -0.54 0.00 0.00 174.62 173.09 1pk5 s ILE 422 N -3.41 0.91 -0.14 2.99 -1.09 0.12 -4.29 121.20 116.28 1pk5 s ILE 422 Ca 0.32 -0.24 -0.26 0.00 -2.23 0.00 0.00 60.65 58.24 1pk5 s ILE 422 Cb 0.07 -0.94 -0.02 0.00 -1.58 0.00 0.00 42.46 39.99 1pk5 s ILE 422 CO 0.11 0.34 0.87 0.12 -1.23 0.00 0.00 174.94 175.16 1pk5 s PHE 423 N 1.57 3.46 0.31 3.97 5.36 -1.26 -1.41 117.98 129.97 1pk5 s PHE 423 Ca 0.02 1.35 -0.05 0.00 -0.96 0.00 0.00 56.93 57.29 1pk5 s PHE 423 Cb -0.13 -3.05 -0.05 0.00 -0.34 0.00 0.00 43.02 39.45 1pk5 s PHE 423 CO -0.06 -0.21 0.57 -0.51 -1.46 0.00 0.00 175.22 173.55 1pk5 s LEU 424 N 2.02 4.03 0.62 6.12 1.43 0.13 -4.78 118.68 128.25 1pk5 s LEU 424 Ca 0.41 0.71 0.33 0.00 -1.03 0.00 0.00 54.13 54.55 1pk5 s LEU 424 Cb -0.17 -3.54 1.90 0.00 0.03 0.00 0.00 46.19 44.42 1pk5 s LEU 424 CO 0.14 -0.23 2.20 1.62 0.23 0.00 0.00 176.35 180.31 1pk5 h VAL 425 N 1.24 0.32 0.00 -1.59 3.04 -1.96 0.31 116.25 117.61 1pk5 h VAL 425 Ca -0.48 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1pk5 h VAL 425 Cb 1.19 0.91 0.00 0.00 -2.01 0.00 0.00 31.29 31.38 1pk5 h VAL 425 CO 0.65 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.56 1pk5 n THR 426 N -3.54 0.75 -0.29 3.17 -2.24 -1.26 -4.27 114.28 106.59 1pk5 n THR 426 Ca -0.01 0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1pk5 n THR 426 Cb 0.19 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 67.52 1pk5 n THR 426 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pk5 n GLY 427 N 0.38 0.82 3.63 3.38 0.00 0.11 -4.66 105.19 108.84 1pk5 n GLY 427 Ca 0.04 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.45 1pk5 n GLY 427 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pk5 s GLU 428 N -0.59 2.31 -0.19 1.61 2.02 -1.22 -4.90 118.70 117.74 1pk5 s GLU 428 Ca 0.00 -0.98 -0.09 0.00 0.02 0.00 0.00 54.97 53.92 1pk5 s GLU 428 Cb 0.00 -2.39 -0.05 0.00 0.10 0.00 0.00 34.13 31.79 1pk5 s GLU 428 CO 0.00 0.51 0.13 -1.01 0.02 0.00 0.00 175.26 174.90 1pk5 s HIS 429 N -1.33 3.42 -0.02 1.61 3.76 -1.26 0.22 115.29 121.68 1pk5 s HIS 429 Ca 0.24 0.33 0.05 0.00 -0.15 0.00 0.00 55.06 55.53 1pk5 s HIS 429 Cb -0.11 -2.13 -0.01 0.00 1.11 0.00 0.00 32.58 31.44 1pk5 s HIS 429 CO 0.16 0.33 -0.18 0.08 -0.85 0.00 0.00 174.74 174.27 1pk5 s VAL 430 N 0.22 1.47 0.18 -0.90 1.01 -0.50 -4.93 120.40 116.94 1pk5 s VAL 430 Ca 0.08 -0.78 -0.31 0.00 0.00 0.00 0.00 61.98 60.97 1pk5 s VAL 430 Cb -0.11 -1.23 -0.10 0.00 0.00 0.00 0.00 36.38 34.94 1pk5 s VAL 430 CO -0.01 0.42 1.52 -1.81 0.00 0.00 0.00 175.10 175.21 1pk5 s ASP 431 N -0.33 6.63 0.58 3.32 1.01 -1.26 0.14 116.67 126.75 1pk5 s ASP 431 Ca 0.05 2.60 0.28 0.00 0.71 0.00 0.00 52.55 56.18 1pk5 s ASP 431 Cb -0.08 -2.60 1.59 0.00 1.01 0.00 0.00 42.92 42.83 1pk5 s ASP 431 CO -0.00 -0.78 2.07 0.22 0.21 0.00 0.00 175.17 176.89 1pk5 h TYR 432 N 6.37 0.00 -0.21 4.23 5.03 -0.81 -0.93 116.97 130.65 1pk5 h TYR 432 Ca -0.43 0.00 -0.19 0.00 2.58 0.00 0.00 58.73 60.68 1pk5 h TYR 432 Cb 1.21 0.00 0.01 0.00 1.55 0.00 0.00 36.73 39.49 1pk5 h TYR 432 CO 0.64 0.00 -0.62 0.66 -1.32 0.00 0.00 178.16 177.52 1pk5 h SER 433 N 0.00 0.90 -0.78 -2.11 4.64 -1.90 -2.45 113.55 111.86 1pk5 h SER 433 Ca 0.11 -0.59 -0.03 0.00 -0.47 0.00 0.00 61.79 60.81 1pk5 h SER 433 Cb 0.59 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 1pk5 h SER 433 CO -0.00 1.33 0.36 0.74 -0.87 0.00 0.00 176.83 178.39 1pk5 h THR 434 N 0.52 1.25 0.22 2.95 2.02 -1.55 -1.57 112.91 116.75 1pk5 h THR 434 Ca -0.02 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 1pk5 h THR 434 Cb 1.24 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 1pk5 h THR 434 CO 0.13 0.31 -0.11 0.40 0.37 0.00 0.00 175.52 176.62 1pk5 h ILE 435 N 1.12 0.85 -0.02 3.11 1.08 -1.47 -2.67 117.51 119.51 1pk5 h ILE 435 Ca 0.27 -0.65 0.01 0.00 -0.39 0.00 0.00 64.86 64.10 1pk5 h ILE 435 Cb 0.14 1.21 -0.03 0.00 -3.07 0.00 0.00 36.82 35.08 1pk5 h ILE 435 CO -0.03 0.14 -0.29 0.40 -0.69 0.00 0.00 178.15 177.68 1pk5 h ILE 436 N -0.64 0.00 -0.74 -0.67 1.08 -1.29 -2.91 117.51 112.34 1pk5 h ILE 436 Ca -0.03 0.00 0.16 0.00 -0.39 0.00 0.00 64.86 64.60 1pk5 h ILE 436 Cb 0.46 0.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.10 1pk5 h ILE 436 CO 0.05 0.00 0.18 0.28 -0.69 0.00 0.00 178.15 177.97 1pk5 h SER 437 N -0.35 0.03 -0.16 1.72 0.02 -1.38 -2.26 113.55 111.16 1pk5 h SER 437 Ca 0.01 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1pk5 h SER 437 Cb 0.38 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.11 1pk5 h SER 437 CO -0.20 -0.03 0.00 1.41 -1.14 0.00 0.00 176.83 176.87 1pk5 n HIS 438 N -5.15 0.55 -3.94 3.45 8.25 -1.01 -4.84 115.22 112.54 1pk5 n HIS 438 Ca 0.14 -0.19 -0.09 0.00 -0.26 0.00 0.00 57.72 57.31 1pk5 n HIS 438 Cb 0.46 -0.20 -0.10 0.00 1.12 0.00 0.00 29.99 31.27 1pk5 n HIS 438 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1pk5 s THR 439 N -1.51 0.12 0.68 1.59 -4.23 -0.85 -4.84 115.64 106.61 1pk5 s THR 439 Ca 0.15 -1.02 -0.14 0.00 -1.18 0.00 0.00 61.69 59.49 1pk5 s THR 439 Cb 0.11 -0.70 0.01 0.00 1.34 0.00 0.00 72.50 73.26 1pk5 s THR 439 CO 0.05 -0.56 1.12 -1.83 -0.54 0.00 0.00 174.62 172.85 1pk5 s GLU 440 N -2.19 2.67 0.36 3.99 -1.05 -1.26 -4.79 118.70 116.42 1pk5 s GLU 440 Ca -0.09 1.40 0.12 0.00 -0.15 0.00 0.00 54.97 56.26 1pk5 s GLU 440 Cb -0.04 -1.93 0.94 0.00 -0.44 0.00 0.00 34.13 32.65 1pk5 s GLU 440 CO -0.03 -1.36 1.79 0.28 0.95 0.00 0.00 175.26 176.89 1pk5 h VAL 441 N -0.14 0.63 -0.20 1.83 2.07 -1.98 -1.36 116.25 117.11 1pk5 h VAL 441 Ca -0.46 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 66.91 1pk5 h VAL 441 Cb 1.25 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1pk5 h VAL 441 CO 0.53 0.10 -0.13 0.00 0.02 0.00 0.00 177.57 178.10 1pk5 h ALA 442 N 1.64 0.03 -0.51 1.67 0.00 -2.00 0.13 119.26 120.21 1pk5 h ALA 442 Ca 0.56 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 55.44 1pk5 h ALA 442 Cb 1.16 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1pk5 h ALA 442 CO -0.32 -0.55 -0.11 0.35 0.00 0.00 0.00 179.25 178.62 1pk5 h PHE 443 N -0.12 1.07 -0.83 0.00 3.57 -1.68 -2.95 116.94 116.00 1pk5 h PHE 443 Ca 0.12 -0.21 0.15 0.00 3.53 0.00 0.00 57.97 61.56 1pk5 h PHE 443 Cb 0.29 -0.27 -0.10 0.00 2.79 0.00 0.00 35.95 38.67 1pk5 h PHE 443 CO -0.28 1.00 0.39 -0.91 -2.23 0.00 0.00 178.31 176.28 1pk5 h ASN 444 N 0.86 0.44 -0.41 0.41 4.21 -0.15 -1.12 115.58 119.81 1pk5 h ASN 444 Ca 0.14 0.10 -0.11 0.00 1.21 0.00 0.00 56.30 57.64 1pk5 h ASN 444 Cb 0.65 0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 37.87 1pk5 h ASN 444 CO 0.05 0.17 -0.13 0.78 -1.29 0.00 0.00 177.43 177.00 1pk5 h ASN 445 N 0.55 0.88 -0.32 5.81 2.35 -0.63 -1.19 115.58 123.04 1pk5 h ASN 445 Ca 0.46 -0.29 -0.09 0.00 -0.55 0.00 0.00 56.30 55.82 1pk5 h ASN 445 Cb 0.69 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.81 1pk5 h ASN 445 CO -0.39 1.02 -0.17 -0.07 -1.65 0.00 0.00 177.43 176.17 1pk5 h LEU 446 N 0.79 0.70 -1.49 1.61 3.38 -1.35 0.49 115.31 119.43 1pk5 h LEU 446 Ca 0.12 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1pk5 h LEU 446 Cb 0.66 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1pk5 h LEU 446 CO 0.05 0.96 0.05 0.25 0.09 0.00 0.00 178.44 179.84 1pk5 h LEU 447 N 0.44 0.35 -0.18 1.67 5.85 -1.11 -1.63 115.31 120.70 1pk5 h LEU 447 Ca 0.07 -0.04 -0.21 0.00 0.84 0.00 0.00 57.88 58.54 1pk5 h LEU 447 Cb 0.71 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1pk5 h LEU 447 CO 0.05 0.37 -0.94 -1.28 -0.34 0.00 0.00 178.44 176.30 1pk5 h SER 448 N 0.38 0.16 0.46 1.25 0.87 -0.87 -2.66 113.55 113.15 1pk5 h SER 448 Ca 0.09 -0.14 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 1pk5 h SER 448 Cb 0.17 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1pk5 h SER 448 CO -0.00 1.01 -0.40 -0.07 -0.53 0.00 0.00 176.83 176.84 1pk5 h LEU 449 N 0.05 0.00 0.04 2.23 3.38 -0.28 -2.77 115.31 117.95 1pk5 h LEU 449 Ca -0.04 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.65 1pk5 h LEU 449 Cb 1.62 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.39 1pk5 h LEU 449 CO 0.14 0.40 -1.14 0.00 0.09 0.00 0.00 178.44 177.93 1pk5 h ALA 450 N 1.60 0.09 -0.06 1.53 0.00 -1.25 -3.24 119.26 117.93 1pk5 h ALA 450 Ca -0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 54.91 54.13 1pk5 h ALA 450 Cb 0.75 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1pk5 h ALA 450 CO 0.05 0.71 -0.13 1.96 0.00 0.00 0.00 179.25 181.85 1pk5 h GLN 451 N 0.31 0.09 -0.43 0.00 1.08 -1.31 -1.26 115.11 113.59 1pk5 h GLN 451 Ca -0.15 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 1pk5 h GLN 451 Cb 1.80 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 29.19 1pk5 h GLN 451 CO 0.22 0.22 0.23 0.93 -0.95 0.00 0.00 178.83 179.48 1pk5 h GLU 452 N 0.08 0.61 -0.49 1.46 5.08 -1.52 0.25 114.58 120.05 1pk5 h GLU 452 Ca 0.02 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 1pk5 h GLU 452 Cb 0.29 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 1pk5 h GLU 452 CO 0.02 0.49 0.07 -0.07 -1.00 0.00 0.00 179.01 178.52 1pk5 h LEU 453 N 0.56 0.72 -0.66 1.33 4.07 -1.46 -0.54 115.31 119.32 1pk5 h LEU 453 Ca 0.15 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1pk5 h LEU 453 Cb 0.06 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.58 1pk5 h LEU 453 CO -0.02 0.74 0.38 0.58 -1.08 0.00 0.00 178.44 179.04 1pk5 h VAL 454 N 0.73 1.20 -0.60 1.22 2.07 -0.25 0.11 116.25 120.74 1pk5 h VAL 454 Ca 0.16 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.16 1pk5 h VAL 454 Cb 0.34 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.39 1pk5 h VAL 454 CO 0.01 0.21 0.22 0.58 0.02 0.00 0.00 177.57 178.61 1pk5 h VAL 455 N 0.90 1.23 -0.51 2.57 2.07 0.07 -0.08 116.25 122.51 1pk5 h VAL 455 Ca 0.24 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.91 1pk5 h VAL 455 Cb 0.01 0.60 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1pk5 h VAL 455 CO -0.04 0.29 -0.04 0.03 0.02 0.00 0.00 177.57 177.83 1pk5 h ARG 456 N 0.84 0.93 -0.08 1.57 3.08 -0.47 -2.68 114.38 117.57 1pk5 h ARG 456 Ca 0.20 -0.32 -0.12 0.00 0.07 0.00 0.00 59.98 59.80 1pk5 h ARG 456 Cb 0.23 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 1pk5 h ARG 456 CO -0.01 0.97 -0.51 -0.07 -1.07 0.00 0.00 179.97 179.28 1pk5 h LEU 457 N 0.80 0.23 -0.75 3.04 -0.00 -0.61 -2.81 115.31 115.21 1pk5 h LEU 457 Ca 0.14 -0.12 -0.04 0.00 -0.00 0.00 0.00 57.88 57.86 1pk5 h LEU 457 Cb 0.58 -0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 41.14 1pk5 h LEU 457 CO 0.03 0.71 0.30 -0.09 -0.00 0.00 0.00 178.44 179.38 1pk5 h ARG 458 N 0.17 1.13 -0.26 1.13 2.43 -0.86 -1.36 114.38 116.77 1pk5 h ARG 458 Ca 0.01 -0.21 -0.07 0.00 -0.81 0.00 0.00 59.98 58.89 1pk5 h ARG 458 Cb 0.96 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1pk5 h ARG 458 CO 0.08 0.93 -0.15 0.77 -1.51 0.00 0.00 179.97 180.08 1pk5 h SER 459 N 1.09 0.43 0.32 -3.80 0.02 -1.30 -2.31 113.55 107.99 1pk5 h SER 459 Ca 0.25 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.09 1pk5 h SER 459 Cb 0.22 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.65 1pk5 h SER 459 CO -0.02 0.61 -0.02 0.18 -1.14 0.00 0.00 176.83 176.44 1pk5 n LEU 460 N -4.19 0.17 -2.97 5.07 4.77 -1.00 -4.90 117.00 113.94 1pk5 n LEU 460 Ca 0.00 0.10 -0.19 0.00 -0.03 0.00 0.00 56.01 55.89 1pk5 n LEU 460 Cb 0.33 -0.16 0.06 0.00 -2.33 0.00 0.00 43.42 41.32 1pk5 n LEU 460 CO 0.40 0.03 0.19 0.00 -1.33 0.00 0.00 177.39 176.68 1pk5 n GLN 461 N -1.06 -6.33 -1.68 3.23 6.02 -0.87 -4.88 117.38 111.80 1pk5 n GLN 461 Ca 0.18 0.67 -0.49 0.00 -0.01 0.00 0.00 57.00 57.35 1pk5 n GLN 461 Cb 0.21 -5.23 -0.05 0.00 1.02 0.00 0.00 30.24 26.19 1pk5 n GLN 461 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1pk5 n PHE 462 N -4.52 2.32 -4.42 1.08 7.35 -0.56 -4.96 117.46 113.76 1pk5 n PHE 462 Ca 0.00 0.02 -0.30 0.00 -0.76 0.00 0.00 57.45 56.42 1pk5 n PHE 462 Cb 0.55 -2.66 -0.06 0.00 0.35 0.00 0.00 39.48 37.67 1pk5 n PHE 462 CO 0.00 0.00 0.00 0.16 -0.76 0.00 0.00 176.76 176.16 1pk5 s ASP 463 N 4.07 4.29 0.26 -2.13 3.84 -1.26 -4.92 116.67 120.83 1pk5 s ASP 463 Ca 0.93 -1.44 -0.02 0.00 -0.00 0.00 0.00 52.55 52.03 1pk5 s ASP 463 Cb -0.71 0.28 0.47 0.00 -1.38 0.00 0.00 42.92 41.57 1pk5 s ASP 463 CO 0.53 -0.85 1.83 -0.61 -0.00 0.00 0.00 175.17 176.06 1pk5 h GLN 464 N 1.23 0.88 -0.12 2.11 4.15 -1.98 -0.57 115.11 120.79 1pk5 h GLN 464 Ca -0.42 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 58.89 1pk5 h GLN 464 Cb 1.30 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 28.78 1pk5 h GLN 464 CO 0.69 0.58 -0.20 0.00 -1.93 0.00 0.00 178.83 177.97 1pk5 h ARG 465 N 0.91 0.21 0.00 1.69 3.08 -1.99 -1.23 114.38 117.05 1pk5 h ARG 465 Ca 0.44 -0.06 -0.17 0.00 0.07 0.00 0.00 59.98 60.27 1pk5 h ARG 465 Cb 0.41 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.41 1pk5 h ARG 465 CO -0.25 0.41 -0.81 0.93 -1.07 0.00 0.00 179.97 179.17 1pk5 h GLU 466 N 0.19 0.00 -0.31 0.04 5.08 -1.72 -3.07 114.58 114.80 1pk5 h GLU 466 Ca 0.03 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1pk5 h GLU 466 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1pk5 h GLU 466 CO 0.03 0.81 0.01 0.35 -1.00 0.00 0.00 179.01 179.22 1pk5 h PHE 467 N 0.00 0.58 0.00 4.33 3.57 -0.29 -0.90 116.94 124.22 1pk5 h PHE 467 Ca -0.01 -0.10 -0.07 0.00 3.53 0.00 0.00 57.97 61.33 1pk5 h PHE 467 Cb 1.62 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 40.20 1pk5 h PHE 467 CO 0.00 0.66 -0.32 -0.39 -2.23 0.00 0.00 178.31 176.03 1pk5 h VAL 468 N 0.33 0.92 -0.17 1.41 -1.51 -1.31 -2.05 116.25 113.87 1pk5 h VAL 468 Ca 0.09 -1.24 -0.07 0.00 -1.23 0.00 0.00 66.70 64.25 1pk5 h VAL 468 Cb 0.42 1.74 -0.00 0.00 -2.13 0.00 0.00 31.29 31.32 1pk5 h VAL 468 CO 0.01 0.31 -0.15 0.00 -1.23 0.00 0.00 177.57 176.51 1pk5 h LEU 470 N 0.05 0.77 -0.36 0.00 3.38 -0.94 -0.90 115.31 117.31 1pk5 h LEU 470 Ca 0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1pk5 h LEU 470 Cb 0.68 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1pk5 h LEU 470 CO 0.04 0.66 0.24 0.11 0.09 0.00 0.00 178.44 179.57 1pk5 h LYS 471 N 0.85 0.48 0.00 1.13 1.57 -1.28 0.11 116.57 119.44 1pk5 h LYS 471 Ca 0.21 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.88 1pk5 h LYS 471 Cb 0.09 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1pk5 h LYS 471 CO -0.03 0.33 -0.36 0.74 -0.57 0.00 0.00 179.45 179.56 1pk5 h PHE 472 N 0.49 0.00 0.00 -1.35 -1.00 -1.00 0.13 116.94 114.22 1pk5 h PHE 472 Ca 0.13 0.00 -0.16 0.00 2.81 0.00 0.00 57.97 60.75 1pk5 h PHE 472 Cb -0.05 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.49 1pk5 h PHE 472 CO -0.05 0.36 -0.78 -0.07 -1.61 0.00 0.00 178.31 176.16 1pk5 h LEU 473 N 0.00 0.00 -0.05 1.54 3.38 -0.61 -0.23 115.31 119.33 1pk5 h LEU 473 Ca -0.00 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.75 1pk5 h LEU 473 Cb 0.85 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.61 1pk5 h LEU 473 CO 0.05 0.78 -0.81 0.58 0.09 0.00 0.00 178.44 179.13 1pk5 h VAL 474 N 0.00 1.32 0.16 1.22 2.07 -0.32 -3.35 116.25 117.35 1pk5 h VAL 474 Ca -0.01 -2.08 -0.01 0.00 0.82 0.00 0.00 66.70 65.42 1pk5 h VAL 474 Cb 1.41 2.30 0.00 0.00 -1.52 0.00 0.00 31.29 33.48 1pk5 h VAL 474 CO 0.10 0.64 -0.08 0.25 0.02 0.00 0.00 177.57 178.50 1pk5 h LEU 475 N 0.28 -0.18 -6.81 2.57 5.85 -0.96 -3.36 115.31 112.70 1pk5 h LEU 475 Ca -0.09 -0.34 -0.73 0.00 0.84 0.00 0.00 57.88 57.56 1pk5 h LEU 475 Cb 1.47 0.05 -0.11 0.00 0.37 0.00 0.00 40.66 42.43 1pk5 h LEU 475 CO 0.16 0.30 2.23 0.49 -0.34 0.00 0.00 178.44 181.29 1pk5 n PHE 476 N -4.96 3.80 -3.61 1.25 3.01 -0.10 -4.82 117.46 112.03 1pk5 n PHE 476 Ca -0.08 -2.96 -0.37 0.00 1.01 0.00 0.00 57.45 55.04 1pk5 n PHE 476 Cb 0.26 -2.28 -0.10 0.00 -0.01 0.00 0.00 39.48 37.36 1pk5 n PHE 476 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1pk5 s SER 477 N 2.46 6.14 0.42 4.37 0.15 -1.26 -4.61 113.70 121.37 1pk5 s SER 477 Ca 0.45 0.14 0.29 0.00 0.70 0.00 0.00 55.95 57.53 1pk5 s SER 477 Cb 0.07 -2.13 1.15 0.00 -1.71 0.00 0.00 66.02 63.41 1pk5 s SER 477 CO -0.01 0.02 1.86 0.28 1.20 0.00 0.00 173.24 176.58 1pk5 h SER 478 N 7.67 0.00 -1.57 5.45 0.02 -1.92 -3.31 113.55 119.89 1pk5 h SER 478 Ca -0.37 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 59.93 1pk5 h SER 478 Cb 1.17 0.00 -0.23 0.00 0.14 0.00 0.00 62.40 63.48 1pk5 h SER 478 CO 0.64 0.00 0.77 0.47 -1.14 0.00 0.00 176.83 177.58 1pk5 n ASP 479 N -2.73 7.08 -4.41 3.07 8.00 -1.26 -4.83 116.55 121.48 1pk5 n ASP 479 Ca 0.02 -3.57 -0.34 0.00 0.71 0.00 0.00 54.79 51.62 1pk5 n ASP 479 Cb 0.29 -1.14 -0.13 0.00 -0.02 0.00 0.00 41.12 40.12 1pk5 n ASP 479 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1pk5 s VAL 480 N -3.86 3.42 0.39 2.53 1.01 -1.25 -5.09 120.40 117.55 1pk5 s VAL 480 Ca 0.55 -0.52 -0.24 0.00 0.00 0.00 0.00 61.98 61.77 1pk5 s VAL 480 Cb 0.42 -2.48 -0.09 0.00 0.00 0.00 0.00 36.38 34.22 1pk5 s VAL 480 CO -0.32 0.50 1.02 -1.59 0.00 0.00 0.00 175.10 174.70 1pk5 s LYS 481 N 0.53 4.22 -0.96 2.72 0.00 -1.26 -4.17 119.74 120.82 1pk5 s LYS 481 Ca -0.06 1.43 -0.04 0.00 0.00 0.00 0.00 55.97 57.31 1pk5 s LYS 481 Cb -0.15 -2.53 0.00 0.00 0.00 0.00 0.00 37.83 35.16 1pk5 s LYS 481 CO 0.03 -0.07 0.82 0.09 0.00 0.00 0.00 175.35 176.22 1pk5 n ASN 482 N -0.07 -4.00 -4.75 0.03 3.02 -1.26 -5.00 115.26 103.22 1pk5 n ASN 482 Ca 0.05 -0.42 -0.39 0.00 -0.03 0.00 0.00 54.58 53.79 1pk5 n ASN 482 Cb 0.50 -3.88 -0.06 0.00 -0.61 0.00 0.00 39.78 35.74 1pk5 n ASN 482 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1pk5 s LEU 483 N -5.49 4.38 -0.02 3.41 1.43 -1.26 -4.94 118.68 116.19 1pk5 s LEU 483 Ca 0.27 1.10 -0.11 0.00 -1.03 0.00 0.00 54.13 54.35 1pk5 s LEU 483 Cb -0.12 -2.90 -0.06 0.00 0.03 0.00 0.00 46.19 43.14 1pk5 s LEU 483 CO 0.54 0.06 0.63 -0.08 0.23 0.00 0.00 176.35 177.73 1pk5 h GLU 484 N 5.95 -0.40 -2.92 1.70 4.22 -1.96 -3.35 114.58 117.82 1pk5 h GLU 484 Ca -0.44 0.03 -0.75 0.00 0.08 0.00 0.00 59.36 58.28 1pk5 h GLU 484 Cb 1.20 0.09 -0.14 0.00 0.50 0.00 0.00 28.75 30.40 1pk5 h GLU 484 CO 0.71 -0.27 2.25 -1.71 -2.18 0.00 0.00 179.01 177.81 1pk5 n ASN 485 N -4.11 7.00 0.07 1.04 2.85 -1.26 -4.72 115.26 116.13 1pk5 n ASN 485 Ca -0.05 -3.14 0.01 0.00 -0.11 0.00 0.00 54.58 51.29 1pk5 n ASN 485 Cb 0.16 -1.40 0.33 0.00 1.24 0.00 0.00 39.78 40.11 1pk5 n ASN 485 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1pk5 h LEU 486 N 6.35 0.33 -0.84 1.20 5.85 -2.00 -2.67 115.31 123.53 1pk5 h LEU 486 Ca 0.59 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 59.32 1pk5 h LEU 486 Cb 0.42 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 41.29 1pk5 h LEU 486 CO 1.53 0.49 0.50 -0.61 -0.34 0.00 0.00 178.44 180.01 1pk5 h GLN 487 N 0.33 0.83 -0.28 1.25 4.15 -1.94 -1.34 115.11 118.10 1pk5 h GLN 487 Ca 0.06 -0.05 -0.17 0.00 0.77 0.00 0.00 58.65 59.26 1pk5 h GLN 487 Cb 0.43 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1pk5 h GLN 487 CO 0.02 0.55 -0.50 1.25 -1.93 0.00 0.00 178.83 178.22 1pk5 h LEU 488 N 0.86 0.93 -0.41 -2.39 5.85 -1.88 -2.04 115.31 116.23 1pk5 h LEU 488 Ca 0.39 -0.53 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 1pk5 h LEU 488 Cb 0.30 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1pk5 h LEU 488 CO -0.22 1.28 0.12 0.58 -0.34 0.00 0.00 178.44 179.86 1pk5 h VAL 489 N 0.61 1.22 -0.40 1.05 2.07 -1.28 -1.05 116.25 118.48 1pk5 h VAL 489 Ca 0.02 -0.75 -0.15 0.00 0.82 0.00 0.00 66.70 66.64 1pk5 h VAL 489 Cb 1.11 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1pk5 h VAL 489 CO 0.11 0.26 -0.33 -0.33 0.02 0.00 0.00 177.57 177.31 1pk5 h GLU 490 N 0.52 0.92 0.24 1.57 5.08 -1.33 -2.04 114.58 119.54 1pk5 h GLU 490 Ca 0.13 -0.45 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 1pk5 h GLU 490 Cb 0.28 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1pk5 h GLU 490 CO -0.00 1.10 -0.16 0.78 -1.00 0.00 0.00 179.01 179.73 1pk5 h GLY 491 N 0.84 -0.40 0.94 -3.84 0.00 -1.19 -0.39 103.07 99.03 1pk5 h GLY 491 Ca 0.08 0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.60 1pk5 h GLY 491 CO 0.08 -0.17 0.09 -2.08 0.00 0.00 0.00 176.54 174.47 1pk5 h VAL 492 N -0.40 1.01 -0.50 4.60 2.07 -1.21 0.13 116.25 121.95 1pk5 h VAL 492 Ca -0.02 -0.07 0.09 0.00 0.82 0.00 0.00 66.70 67.52 1pk5 h VAL 492 Cb 0.34 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1pk5 h VAL 492 CO 0.01 0.04 0.07 -0.61 0.02 0.00 0.00 177.57 177.09 1pk5 h GLN 493 N 0.19 0.19 -0.30 1.57 4.15 -1.23 0.30 115.11 119.98 1pk5 h GLN 493 Ca 0.07 -0.01 -0.13 0.00 0.77 0.00 0.00 58.65 59.35 1pk5 h GLN 493 Cb 0.01 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1pk5 h GLN 493 CO -0.04 0.12 -0.34 1.49 -1.93 0.00 0.00 178.83 178.13 1pk5 h GLU 494 N 0.19 0.66 -0.37 1.69 4.81 -0.78 -1.92 114.58 118.87 1pk5 h GLU 494 Ca 0.25 -0.31 -0.12 0.00 -0.13 0.00 0.00 59.36 59.05 1pk5 h GLU 494 Cb 0.36 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 1pk5 h GLU 494 CO -0.36 0.91 -0.25 0.37 -0.73 0.00 0.00 179.01 178.95 1pk5 h GLN 495 N 0.56 0.74 -0.23 1.92 4.15 0.09 -2.14 115.11 120.20 1pk5 h GLN 495 Ca 0.06 -0.31 -0.18 0.00 0.77 0.00 0.00 58.65 58.99 1pk5 h GLN 495 Cb 0.85 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.51 1pk5 h GLN 495 CO 0.07 0.92 -0.56 0.28 -1.93 0.00 0.00 178.83 177.61 1pk5 h VAL 496 N 0.64 1.29 -0.54 2.39 2.07 -0.33 -1.72 116.25 120.05 1pk5 h VAL 496 Ca 0.08 -1.76 0.07 0.00 0.82 0.00 0.00 66.70 65.92 1pk5 h VAL 496 Cb 0.76 1.78 -0.06 0.00 -1.52 0.00 0.00 31.29 32.25 1pk5 h VAL 496 CO 0.06 0.56 0.21 0.78 0.02 0.00 0.00 177.57 179.21 1pk5 h ASN 497 N 0.54 0.24 -0.43 0.57 2.35 -1.23 0.34 115.58 117.95 1pk5 h ASN 497 Ca -0.00 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.77 1pk5 h ASN 497 Cb 1.17 0.03 -0.02 0.00 0.05 0.00 0.00 38.32 39.55 1pk5 h ASN 497 CO 0.12 0.16 0.15 0.00 -1.65 0.00 0.00 177.43 176.22 1pk5 h ALA 498 N 1.35 0.56 -0.42 -0.83 0.00 -1.29 -1.72 119.26 116.91 1pk5 h ALA 498 Ca 0.26 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1pk5 h ALA 498 Cb 0.26 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1pk5 h ALA 498 CO -0.24 0.19 -0.05 0.00 0.00 0.00 0.00 179.25 179.15 1pk5 h ALA 499 N 1.00 1.13 -0.04 0.00 0.00 -0.80 -1.79 119.26 118.76 1pk5 h ALA 499 Ca 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1pk5 h ALA 499 Cb 0.23 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1pk5 h ALA 499 CO -0.01 0.55 0.00 1.25 0.00 0.00 0.00 179.25 181.04 1pk5 h LEU 500 N 0.65 0.06 -0.49 0.00 5.85 -0.73 -1.11 115.31 119.55 1pk5 h LEU 500 Ca 0.12 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.54 1pk5 h LEU 500 Cb 0.48 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1pk5 h LEU 500 CO 0.02 0.35 0.32 0.25 -0.34 0.00 0.00 178.44 179.04 1pk5 h LEU 501 N -0.23 0.57 -0.84 2.25 5.85 -1.24 0.20 115.31 121.88 1pk5 h LEU 501 Ca 0.01 -0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.74 1pk5 h LEU 501 Cb 0.32 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1pk5 h LEU 501 CO 0.00 0.42 0.54 -0.78 -0.34 0.00 0.00 178.44 178.28 1pk5 h ASP 502 N 0.66 0.88 -0.16 1.25 1.82 -1.26 -2.40 116.42 117.21 1pk5 h ASP 502 Ca 0.18 -0.00 -0.08 0.00 -0.39 0.00 0.00 57.03 56.73 1pk5 h ASP 502 Cb -0.06 -0.19 -0.00 0.00 0.68 0.00 0.00 39.33 39.76 1pk5 h ASP 502 CO -0.04 0.60 -0.22 0.22 -1.61 0.00 0.00 179.24 178.19 1pk5 h TYR 503 N 1.03 0.54 -0.28 0.28 3.20 -0.43 -2.45 116.97 118.86 1pk5 h TYR 503 Ca 0.34 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1pk5 h TYR 503 Cb 0.04 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.19 1pk5 h TYR 503 CO -0.03 0.85 0.18 1.79 -1.64 0.00 0.00 178.16 179.31 1pk5 h THR 504 N 0.07 1.09 0.00 1.81 1.35 -0.46 -0.80 112.91 115.97 1pk5 h THR 504 Ca 0.02 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1pk5 h THR 504 Cb 0.79 0.71 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1pk5 h THR 504 CO 0.05 0.09 0.00 1.62 -0.25 0.00 0.00 175.52 177.03 1pk5 h VAL 505 N 0.37 0.00 0.03 6.82 3.04 -1.53 0.16 116.25 125.14 1pk5 h VAL 505 Ca 0.10 -0.95 -0.22 0.00 -1.01 0.00 0.00 66.70 64.63 1pk5 h VAL 505 Cb -0.01 1.95 -0.01 0.00 -2.01 0.00 0.00 31.29 31.20 1pk5 h VAL 505 CO -0.02 0.00 -0.98 0.00 -1.01 0.00 0.00 177.57 175.56 1pk5 n ASN 507 N -3.56 0.85 -2.92 0.00 3.02 -0.33 -4.61 115.26 107.72 1pk5 n ASN 507 Ca -0.04 -0.29 -0.15 0.00 -0.03 0.00 0.00 54.58 54.07 1pk5 n ASN 507 Cb 0.88 1.56 -0.00 0.00 -0.61 0.00 0.00 39.78 41.61 1pk5 n ASN 507 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1pk5 n TYR 508 N -1.90 1.00 -0.28 3.10 4.02 0.55 -4.97 117.16 118.68 1pk5 n TYR 508 Ca -0.01 -3.37 0.08 0.00 -0.01 0.00 0.00 57.90 54.60 1pk5 n TYR 508 Cb 0.41 -0.39 0.31 0.00 -0.02 0.00 0.00 39.34 39.65 1pk5 n TYR 508 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1pk5 h PRO 509 N 2.98 0.82 0.00 -0.72 0.13 -1.68 -0.80 132.00 132.72 1pk5 h PRO 509 Ca 0.03 -0.05 -0.01 0.00 -0.87 0.00 0.00 66.00 65.11 1pk5 h PRO 509 Cb 1.02 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.97 1pk5 h PRO 509 CO 0.54 0.54 -0.03 1.96 -0.23 0.00 0.00 178.00 180.78 1pk5 h GLN 510 N 0.84 0.00 -6.15 0.86 1.08 -1.93 -3.36 115.11 106.46 1pk5 h GLN 510 Ca 0.43 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 57.09 1pk5 h GLN 510 Cb 0.49 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.84 1pk5 h GLN 510 CO -0.19 0.03 1.23 -1.14 -0.95 0.00 0.00 178.83 177.80 1pk5 s GLN 511 N -3.99 3.21 0.12 1.46 2.00 -0.31 -4.88 119.66 117.27 1pk5 s GLN 511 Ca -0.02 -0.49 -0.33 0.00 -2.00 0.00 0.00 55.36 52.52 1pk5 s GLN 511 Cb 0.12 -4.76 -0.11 0.00 0.80 0.00 0.00 33.01 29.06 1pk5 s GLN 511 CO 0.50 -2.37 1.56 1.15 -0.50 0.00 0.00 175.29 175.62 1pk5 h THR 512 N 6.56 0.02 -2.07 -0.34 2.02 -1.82 -3.34 112.91 113.94 1pk5 h THR 512 Ca -0.05 0.00 -0.55 0.00 0.77 0.00 0.00 66.41 66.58 1pk5 h THR 512 Cb 1.04 0.02 -0.37 0.00 -1.74 0.00 0.00 68.15 67.10 1pk5 h THR 512 CO 1.32 0.00 -1.02 1.21 0.37 0.00 0.00 175.52 177.40 1pk5 n GLU 513 N -5.42 0.48 0.05 6.66 4.07 -1.26 -4.84 120.64 120.38 1pk5 n GLU 513 Ca -0.05 -3.12 -0.08 0.00 -0.06 0.00 0.00 57.16 53.85 1pk5 n GLU 513 Cb 0.37 -1.43 -0.12 0.00 -0.06 0.00 0.00 31.44 30.20 1pk5 n GLU 513 CO 0.00 0.00 0.00 1.57 -0.06 0.00 0.00 177.13 178.64 1pk5 h LYS 514 N 4.74 0.02 -0.40 5.31 2.10 -1.93 -2.52 116.57 123.89 1pk5 h LYS 514 Ca 0.15 -0.03 0.02 0.00 -2.00 0.00 0.00 60.65 58.80 1pk5 h LYS 514 Cb 0.90 0.01 -0.03 0.00 -0.90 0.00 0.00 32.23 32.21 1pk5 h LYS 514 CO 0.41 0.95 0.21 0.35 -2.00 0.00 0.00 179.45 179.37 1pk5 h PHE 515 N 0.00 0.39 -0.16 0.07 3.57 -1.89 0.54 116.94 119.48 1pk5 h PHE 515 Ca -0.05 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1pk5 h PHE 515 Cb 1.81 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 40.42 1pk5 h PHE 515 CO 0.00 0.22 0.06 0.78 -2.23 0.00 0.00 178.31 177.14 1pk5 h GLY 516 N 0.43 0.25 0.22 2.40 0.00 -1.93 -1.87 103.07 102.56 1pk5 h GLY 516 Ca 0.16 -0.14 0.12 0.00 0.00 0.00 0.00 47.33 47.47 1pk5 h GLY 516 CO -0.10 0.13 0.24 1.46 0.00 0.00 0.00 176.54 178.27 1pk5 h GLN 517 N 0.09 0.38 0.10 4.80 7.50 -0.94 0.67 115.11 127.70 1pk5 h GLN 517 Ca 0.05 -0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.17 1pk5 h GLN 517 Cb 0.19 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.63 1pk5 h GLN 517 CO -0.00 0.25 -0.05 -0.07 -1.50 0.00 0.00 178.83 177.46 1pk5 h LEU 518 N 0.39 -0.11 -1.38 1.46 3.38 0.33 -2.66 115.31 116.72 1pk5 h LEU 518 Ca 0.36 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 1pk5 h LEU 518 Cb 0.52 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1pk5 h LEU 518 CO -0.38 -0.03 0.11 -0.07 0.09 0.00 0.00 178.44 178.16 1pk5 h LEU 519 N -0.19 0.48 0.00 1.67 3.38 -0.76 -1.44 115.31 118.45 1pk5 h LEU 519 Ca -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1pk5 h LEU 519 Cb 0.15 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1pk5 h LEU 519 CO 0.02 0.47 0.00 0.18 0.09 0.00 0.00 178.44 179.20 1pk5 n LEU 520 N -4.36 0.00 0.03 1.67 4.77 0.18 -1.85 117.00 117.44 1pk5 n LEU 520 Ca 0.02 0.37 -0.04 0.00 -0.03 0.00 0.00 56.01 56.33 1pk5 n LEU 520 Cb 0.17 -0.37 -0.10 0.00 -2.33 0.00 0.00 43.42 40.79 1pk5 n LEU 520 CO 0.37 -0.26 -0.23 -0.09 -1.33 0.00 0.00 177.39 175.85 1pk5 h ARG 521 N 0.00 0.00 -0.48 3.23 9.65 -1.09 -3.38 114.38 122.31 1pk5 h ARG 521 Ca 0.00 0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.93 1pk5 h ARG 521 Cb 0.11 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 28.64 1pk5 h ARG 521 CO 0.00 0.49 0.21 -0.07 2.80 0.00 0.00 179.97 183.40 1pk5 h LEU 522 N 0.00 0.28 -1.55 3.80 3.38 -1.46 -0.44 115.31 119.32 1pk5 h LEU 522 Ca -0.17 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 1pk5 h LEU 522 Cb 1.75 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.48 1pk5 h LEU 522 CO 0.07 0.20 -0.05 -0.65 0.09 0.00 0.00 178.44 178.10 1pk5 h PRO 523 N 0.42 0.23 -0.36 1.13 0.11 -1.74 -0.23 132.00 131.56 1pk5 h PRO 523 Ca 0.22 -0.04 -0.16 0.00 0.11 0.00 0.00 66.00 66.13 1pk5 h PRO 523 Cb 0.17 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.23 1pk5 h PRO 523 CO -0.18 0.30 -0.39 0.93 -0.21 0.00 0.00 178.00 178.44 1pk5 h GLU 524 N 0.23 0.89 -0.28 1.05 5.08 -1.54 -2.05 114.58 117.95 1pk5 h GLU 524 Ca 0.05 -0.47 -0.07 0.00 -1.00 0.00 0.00 59.36 57.88 1pk5 h GLU 524 Cb 0.24 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 1pk5 h GLU 524 CO 0.01 1.12 -0.11 1.25 -1.00 0.00 0.00 179.01 180.27 1pk5 h LEU 525 N 0.72 0.46 0.31 1.33 5.85 -0.31 -1.64 115.31 122.03 1pk5 h LEU 525 Ca 0.06 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1pk5 h LEU 525 Cb 0.98 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.89 1pk5 h LEU 525 CO 0.09 0.61 -0.15 -0.09 -0.34 0.00 0.00 178.44 178.56 1pk5 h ARG 526 N 0.44 -0.40 -0.13 1.25 2.43 -0.73 -0.87 114.38 116.38 1pk5 h ARG 526 Ca 0.08 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1pk5 h ARG 526 Cb 0.47 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1pk5 h ARG 526 CO 0.03 -0.24 0.07 0.00 -1.51 0.00 0.00 179.97 178.31 1pk5 h ALA 527 N 0.23 0.16 -0.86 2.80 0.00 -1.15 -2.30 119.26 118.14 1pk5 h ALA 527 Ca -0.04 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1pk5 h ALA 527 Cb 0.35 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 1pk5 h ALA 527 CO 0.07 -0.29 0.56 0.82 0.00 0.00 0.00 179.25 180.41 1pk5 h ILE 528 N 0.10 1.17 -0.42 0.00 2.04 -1.31 -2.56 117.51 116.53 1pk5 h ILE 528 Ca 0.04 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1pk5 h ILE 528 Cb 0.09 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.11 1pk5 h ILE 528 CO -0.01 0.20 0.21 -1.28 0.00 0.00 0.00 178.15 177.27 1pk5 h SER 529 N 1.10 0.31 -0.39 1.72 0.87 -0.71 -1.08 113.55 115.37 1pk5 h SER 529 Ca 0.33 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.82 1pk5 h SER 529 Cb -0.04 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.87 1pk5 h SER 529 CO -0.09 0.22 -0.11 0.11 -0.53 0.00 0.00 176.83 176.44 1pk5 h LYS 530 N 0.42 0.76 -0.23 2.24 1.79 -1.11 -1.81 116.57 118.64 1pk5 h LYS 530 Ca 0.18 -0.30 -0.02 0.00 -2.18 0.00 0.00 60.65 58.33 1pk5 h LYS 530 Cb 0.08 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 1pk5 h LYS 530 CO -0.12 0.90 0.05 1.96 -1.08 0.00 0.00 179.45 181.16 1pk5 h GLN 531 N 0.57 0.32 -0.27 3.15 4.20 -1.23 -0.61 115.11 121.24 1pk5 h GLN 531 Ca 0.10 -0.04 -0.14 0.00 0.06 0.00 0.00 58.65 58.63 1pk5 h GLN 531 Cb 0.63 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.35 1pk5 h GLN 531 CO 0.04 0.31 -0.37 0.00 -0.67 0.00 0.00 178.83 178.14 1pk5 h ALA 532 N 1.74 0.41 -0.52 3.87 0.00 -0.90 -2.52 119.26 121.34 1pk5 h ALA 532 Ca 0.08 -0.44 -0.07 0.00 0.00 0.00 0.00 54.91 54.48 1pk5 h ALA 532 Cb 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1pk5 h ALA 532 CO -0.00 0.49 0.03 0.93 0.00 0.00 0.00 179.25 180.70 1pk5 h GLU 533 N 0.46 0.89 -0.96 0.00 5.08 -0.66 -0.22 114.58 119.17 1pk5 h GLU 533 Ca 0.03 -0.27 0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1pk5 h GLU 533 Cb 0.96 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 1pk5 h GLU 533 CO 0.09 0.90 0.63 -0.44 -1.00 0.00 0.00 179.01 179.19 1pk5 h ASP 534 N 0.77 1.07 -0.34 1.42 3.45 -1.12 0.37 116.42 122.03 1pk5 h ASP 534 Ca 0.15 -0.01 -0.16 0.00 0.43 0.00 0.00 57.03 57.44 1pk5 h ASP 534 Cb 0.48 -0.25 -0.00 0.00 -0.56 0.00 0.00 39.33 38.99 1pk5 h ASP 534 CO 0.02 0.74 -0.41 0.22 -1.57 0.00 0.00 179.24 178.24 1pk5 h TYR 535 N 1.24 1.07 -0.58 4.55 3.20 -1.21 -1.65 116.97 123.59 1pk5 h TYR 535 Ca 0.37 -0.34 -0.05 0.00 3.14 0.00 0.00 58.73 61.85 1pk5 h TYR 535 Cb -0.04 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 1pk5 h TYR 535 CO -0.01 1.16 0.15 1.25 -1.64 0.00 0.00 178.16 179.08 1pk5 h LEU 536 N 0.68 0.87 -0.27 2.82 5.85 -0.32 -1.20 115.31 123.75 1pk5 h LEU 536 Ca 0.05 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 1pk5 h LEU 536 Cb 1.01 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 1pk5 h LEU 536 CO 0.10 0.87 0.05 0.22 -0.34 0.00 0.00 178.44 179.34 1pk5 h TYR 537 N 0.84 0.48 0.05 1.25 3.20 -0.21 -1.46 116.97 121.11 1pk5 h TYR 537 Ca 0.18 -0.06 0.02 0.00 3.14 0.00 0.00 58.73 62.01 1pk5 h TYR 537 Cb 0.33 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 1pk5 h TYR 537 CO 0.02 0.54 -0.17 -0.92 -1.64 0.00 0.00 178.16 176.00 1pk5 h TYR 538 N 0.27 -0.44 -0.03 -3.82 3.20 -1.16 0.16 116.97 115.16 1pk5 h TYR 538 Ca 0.08 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.97 1pk5 h TYR 538 Cb 0.32 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.78 1pk5 h TYR 538 CO 0.02 -0.25 0.02 0.87 -1.64 0.00 0.00 178.16 177.18 1pk5 h LYS 539 N -0.30 0.01 0.00 1.82 1.79 -1.16 -2.47 116.57 116.27 1pk5 h LYS 539 Ca 0.04 -0.00 -0.18 0.00 -2.18 0.00 0.00 60.65 58.33 1pk5 h LYS 539 Cb 0.34 -0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.01 1pk5 h LYS 539 CO -0.12 0.01 -0.70 1.25 -1.08 0.00 0.00 179.45 178.81 1pk5 h HIS 540 N 0.01 0.69 -0.99 -1.35 2.76 -0.28 0.12 115.15 116.11 1pk5 h HIS 540 Ca 0.01 -0.38 0.16 0.00 -2.20 0.00 0.00 60.37 57.96 1pk5 h HIS 540 Cb 0.04 -0.08 -0.10 0.00 1.55 0.00 0.00 27.41 28.82 1pk5 h HIS 540 CO -0.00 1.21 0.60 0.28 -1.30 0.00 0.00 177.93 178.72 1pk5 h VAL 541 N -0.01 0.79 -1.75 5.26 2.07 -0.24 -0.80 116.25 121.56 1pk5 h VAL 541 Ca -0.09 -0.29 -0.70 0.00 0.82 0.00 0.00 66.70 66.45 1pk5 h VAL 541 Cb 1.40 -0.13 -0.33 0.00 -1.52 0.00 0.00 31.29 30.72 1pk5 h VAL 541 CO 0.14 0.15 0.39 -0.46 0.02 0.00 0.00 177.57 177.81 1pk5 n ASN 542 N -4.72 6.50 -1.79 0.57 6.94 -1.19 -4.94 115.26 116.62 1pk5 n ASN 542 Ca 0.21 -3.79 -0.14 0.00 -0.02 0.00 0.00 54.58 50.84 1pk5 n ASN 542 Cb 0.48 -0.83 0.01 0.00 -2.36 0.00 0.00 39.78 37.08 1pk5 n ASN 542 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1pk5 n GLY 543 N -0.54 -0.12 0.63 4.83 0.00 -0.31 -4.88 105.19 104.80 1pk5 n GLY 543 Ca 0.49 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 46.35 1pk5 n GLY 543 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pk5 n ASP 544 N -0.78 2.28 -4.57 1.61 9.92 0.03 -4.86 116.55 120.18 1pk5 n ASP 544 Ca -0.11 -1.64 -0.29 0.00 -0.53 0.00 0.00 54.79 52.22 1pk5 n ASP 544 Cb 0.60 0.20 -0.10 0.00 -0.64 0.00 0.00 41.12 41.18 1pk5 n ASP 544 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1pk5 s VAL 545 N -1.85 3.33 0.11 2.53 1.01 -1.25 -4.58 120.40 119.71 1pk5 s VAL 545 Ca 0.20 -1.32 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 1pk5 s VAL 545 Cb 0.16 -2.57 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 1pk5 s VAL 545 CO 0.34 0.09 1.60 -0.65 0.00 0.00 0.00 175.10 176.48 1pk5 h PRO 546 N 3.54 -0.59 0.00 2.72 0.11 -1.89 -3.49 132.00 132.39 1pk5 h PRO 546 Ca -0.49 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1pk5 h PRO 546 Cb 1.17 0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1pk5 h PRO 546 CO 0.52 -0.40 0.00 0.98 -0.21 0.00 0.00 178.00 178.89 1pk5 n TYR 547 N -5.45 0.00 -2.83 0.65 4.19 -1.26 -5.13 117.16 107.33 1pk5 n TYR 547 Ca -0.07 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.13 1pk5 n TYR 547 Cb 0.36 0.00 -0.01 0.00 0.49 0.00 0.00 39.34 40.19 1pk5 n TYR 547 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1pk5 n ASN 548 N 0.00 -6.75 0.28 2.98 4.13 -1.26 -4.45 115.26 110.19 1pk5 n ASN 548 Ca 0.00 1.17 0.16 0.00 1.68 0.00 0.00 54.58 57.59 1pk5 n ASN 548 Cb 0.00 -4.29 0.80 0.00 -1.54 0.00 0.00 39.78 34.75 1pk5 n ASN 548 CO 0.00 0.00 0.00 -1.13 0.28 0.00 0.00 177.26 176.41 1pk5 h ASN 549 N 3.41 0.00 0.20 6.41 -0.00 -1.99 -2.50 115.58 121.11 1pk5 h ASN 549 Ca -0.07 0.00 -0.29 0.00 -0.00 0.00 0.00 56.30 55.94 1pk5 h ASN 549 Cb 0.39 0.00 0.03 0.00 -0.00 0.00 0.00 38.32 38.74 1pk5 h ASN 549 CO 0.06 0.07 -1.23 -0.07 -0.00 0.00 0.00 177.43 176.26 1pk5 h LEU 550 N 0.00 0.80 0.23 0.34 3.38 -1.92 -1.66 115.31 116.49 1pk5 h LEU 550 Ca -0.00 -0.75 -0.01 0.00 0.09 0.00 0.00 57.88 57.21 1pk5 h LEU 550 Cb 0.33 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1pk5 h LEU 550 CO 0.01 1.56 -0.11 -0.07 0.09 0.00 0.00 178.44 179.92 1pk5 h LEU 551 N 0.25 -0.27 -0.52 1.67 3.38 -1.78 -2.58 115.31 115.46 1pk5 h LEU 551 Ca -0.18 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1pk5 h LEU 551 Cb 1.91 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.70 1pk5 h LEU 551 CO 0.23 0.00 0.17 0.40 0.09 0.00 0.00 178.44 179.33 1pk5 h ILE 552 N -0.54 1.23 -0.45 1.22 5.03 -1.60 -1.88 117.51 120.52 1pk5 h ILE 552 Ca -0.03 -0.78 0.05 0.00 -0.12 0.00 0.00 64.86 63.99 1pk5 h ILE 552 Cb 0.40 0.75 -0.05 0.00 -3.03 0.00 0.00 36.82 34.89 1pk5 h ILE 552 CO 0.05 0.29 0.17 -0.08 -0.68 0.00 0.00 178.15 177.90 1pk5 h GLU 553 N 0.72 0.34 -0.16 2.37 4.81 -1.33 0.15 114.58 121.49 1pk5 h GLU 553 Ca 0.17 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.21 1pk5 h GLU 553 Cb 0.27 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1pk5 h GLU 553 CO -0.01 0.23 -0.61 0.52 -0.73 0.00 0.00 179.01 178.41 1pk5 h MET 554 N 0.35 0.53 -0.20 1.92 2.86 -1.41 -2.10 114.93 116.88 1pk5 h MET 554 Ca 0.21 -0.37 -0.09 0.00 -2.06 0.00 0.00 59.70 57.40 1pk5 h MET 554 Cb 0.19 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.89 1pk5 h MET 554 CO -0.20 0.98 -0.25 1.25 1.06 0.00 0.00 176.91 179.74 1pk5 h LEU 555 N 0.40 0.38 -0.18 1.22 5.85 -0.91 -1.78 115.31 120.28 1pk5 h LEU 555 Ca -0.01 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1pk5 h LEU 555 Cb 1.17 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.09 1pk5 h LEU 555 CO 0.11 0.64 -0.11 1.41 -0.34 0.00 0.00 178.44 180.15 1pk5 n HIS 556 N -4.13 0.00 0.47 1.25 8.25 0.49 -2.45 115.22 119.10 1pk5 n HIS 556 Ca -0.01 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.58 1pk5 n HIS 556 Cb 0.39 -0.22 0.31 0.00 1.12 0.00 0.00 29.99 31.60 1pk5 n HIS 556 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1pk5 h ALA 557 N 3.52 0.99 0.17 -1.41 0.00 -0.62 -3.28 119.26 118.63 1pk5 h ALA 557 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1pk5 h ALA 557 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1pk5 h ALA 557 CO 0.00 0.00 -0.08 -0.22 0.00 0.00 0.00 179.25 178.95 1pk5 h LYS 558 N 0.00 -0.22 0.00 0.00 1.63 -1.44 -3.51 116.57 113.03 1pk5 h LYS 558 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1pk5 h LYS 558 Cb 0.84 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.52 1pk5 h LYS 558 CO 0.00 0.02 0.00 0.54 -3.45 0.00 0.00 179.45 176.56