#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk5 s ILE 320 N 0.00 0.11 0.54 2.46 1.01 -1.26 -4.80 121.20 119.26 1pk5 s ILE 320 Ca 0.00 -0.52 -0.21 0.00 0.00 0.00 0.00 60.65 59.92 1pk5 s ILE 320 Cb 0.00 -0.87 -0.06 0.00 0.01 0.00 0.00 42.46 41.54 1pk5 s ILE 320 CO 0.00 -0.44 1.15 -0.81 0.00 0.00 0.00 174.94 174.84 1pk5 n PRO 321 N 5.19 1.34 -0.26 2.79 -0.04 -1.26 -4.83 135.00 137.93 1pk5 n PRO 321 Ca -0.07 0.50 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 1pk5 n PRO 321 Cb 0.46 -2.33 0.40 0.00 -0.04 0.00 0.00 33.50 31.99 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 1.11 0.77 -0.73 0.54 3.86 -2.00 -2.09 115.15 116.61 1pk5 h HIS 322 Ca -0.49 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 58.74 1pk5 h HIS 322 Cb 1.33 -0.24 -0.04 0.00 1.06 0.00 0.00 27.41 29.52 1pk5 h HIS 322 CO 0.42 0.28 0.45 1.25 0.86 0.00 0.00 177.93 181.19 1pk5 h LEU 323 N 0.65 0.87 -0.45 2.43 5.85 -1.99 -2.25 115.31 120.41 1pk5 h LEU 323 Ca 0.44 -0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.95 1pk5 h LEU 323 Cb 0.76 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.57 1pk5 h LEU 323 CO -0.20 0.66 -0.50 0.40 -0.34 0.00 0.00 178.44 178.46 1pk5 h ILE 324 N 1.00 1.29 -0.32 4.05 2.04 -1.74 -2.82 117.51 121.02 1pk5 h ILE 324 Ca 0.26 -1.71 -0.04 0.00 1.00 0.00 0.00 64.86 64.38 1pk5 h ILE 324 Cb -0.06 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 1pk5 h ILE 324 CO -0.05 0.55 0.04 -0.07 0.00 0.00 0.00 178.15 178.62 1pk5 h LEU 325 N 0.57 0.44 -0.72 1.44 3.38 -1.27 -1.93 115.31 117.23 1pk5 h LEU 325 Ca 0.02 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1pk5 h LEU 325 Cb 1.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1pk5 h LEU 325 CO 0.11 0.48 -0.52 -0.33 0.09 0.00 0.00 178.44 178.26 1pk5 h GLU 326 N 0.47 0.00 -0.11 1.13 4.39 -1.29 -2.79 114.58 116.38 1pk5 h GLU 326 Ca 0.11 0.00 -0.18 0.00 0.34 0.00 0.00 59.36 59.63 1pk5 h GLU 326 Cb 0.25 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1pk5 h GLU 326 CO 0.00 0.52 -0.68 -0.07 -1.16 0.00 0.00 179.01 177.62 1pk5 h LEU 327 N 0.00 0.54 -0.94 1.33 3.38 -1.14 -3.15 115.31 115.34 1pk5 h LEU 327 Ca -0.01 -0.33 -0.10 0.00 0.09 0.00 0.00 57.88 57.53 1pk5 h LEU 327 Cb 1.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.66 1pk5 h LEU 327 CO 0.07 1.07 -0.28 -0.07 0.09 0.00 0.00 178.44 179.31 1pk5 h LEU 328 N 0.33 0.44 -2.43 1.67 3.38 -1.22 -2.45 115.31 115.03 1pk5 h LEU 328 Ca -0.02 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 1pk5 h LEU 328 Cb 1.25 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.87 1pk5 h LEU 328 CO 0.12 0.72 -0.01 0.11 0.09 0.00 0.00 178.44 179.47 1pk5 h LYS 329 N 0.38 0.00 -0.01 1.13 1.57 -1.45 -1.45 116.57 116.74 1pk5 h LYS 329 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1pk5 h LYS 329 Cb 0.70 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.01 1pk5 h LYS 329 CO 0.05 0.01 -0.20 0.00 -0.57 0.00 0.00 179.45 178.75 1pk5 s GLU 331 N -2.45 2.72 0.43 0.00 0.41 -0.55 -4.88 118.70 114.38 1pk5 s GLU 331 Ca 0.27 1.94 -0.05 0.00 -0.41 0.00 0.00 54.97 56.72 1pk5 s GLU 331 Cb 0.20 -1.88 -0.04 0.00 -1.78 0.00 0.00 34.13 30.62 1pk5 s GLU 331 CO 0.49 -1.43 0.72 -1.25 -0.49 0.00 0.00 175.26 173.30 1pk5 s PRO 332 N -3.39 3.56 -0.81 0.39 0.04 -1.26 -5.01 135.00 128.52 1pk5 s PRO 332 Ca 0.80 0.11 -0.26 0.00 0.04 0.00 0.00 61.00 61.69 1pk5 s PRO 332 Cb -0.34 -2.45 0.03 0.00 0.04 0.00 0.00 34.50 31.78 1pk5 s PRO 332 CO 0.37 -0.09 1.39 0.34 0.04 0.00 0.00 177.00 179.05 1pk5 s ASP 333 N -3.91 6.15 0.18 6.66 -1.08 -1.26 -4.92 116.67 118.49 1pk5 s ASP 333 Ca 0.46 -0.67 -0.25 0.00 -0.52 0.00 0.00 52.55 51.57 1pk5 s ASP 333 Cb -0.10 -2.56 0.06 0.00 -1.46 0.00 0.00 42.92 38.86 1pk5 s ASP 333 CO 0.41 -1.82 1.56 -0.33 0.52 0.00 0.00 175.17 175.51 1pk5 h GLU 334 N 10.37 -0.15 -0.53 4.34 5.08 -1.98 -0.48 114.58 131.22 1pk5 h GLU 334 Ca -0.14 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.33 1pk5 h GLU 334 Cb 1.05 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.25 1pk5 h GLU 334 CO 1.31 -0.10 0.08 -1.35 -1.00 0.00 0.00 179.01 177.96 1pk5 h PRO 335 N -0.16 0.21 -0.06 2.33 0.11 -1.98 0.78 132.00 133.23 1pk5 h PRO 335 Ca 0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.31 1pk5 h PRO 335 Cb 0.55 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.61 1pk5 h PRO 335 CO -0.77 0.14 0.04 1.96 -0.21 0.00 0.00 178.00 179.15 1pk5 h GLN 336 N 0.21 0.08 -0.85 1.05 4.20 -1.70 0.97 115.11 119.08 1pk5 h GLN 336 Ca 0.27 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 1pk5 h GLN 336 Cb 0.39 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 1pk5 h GLN 336 CO -0.38 0.08 0.43 0.28 -0.67 0.00 0.00 178.83 178.57 1pk5 h VAL 337 N 0.06 1.25 -0.46 -0.54 2.07 -0.36 -1.77 116.25 116.51 1pk5 h VAL 337 Ca 0.02 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 1pk5 h VAL 337 Cb 0.01 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.91 1pk5 h VAL 337 CO -0.00 0.30 0.06 -0.61 0.02 0.00 0.00 177.57 177.34 1pk5 h GLN 338 N 1.20 0.77 -0.59 1.57 4.15 0.96 -2.31 115.11 120.87 1pk5 h GLN 338 Ca 0.29 -0.21 -0.09 0.00 0.77 0.00 0.00 58.65 59.41 1pk5 h GLN 338 Cb 0.08 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1pk5 h GLN 338 CO -0.04 0.79 0.01 0.00 -1.93 0.00 0.00 178.83 177.66 1pk5 h ALA 339 N 0.95 0.91 0.10 3.38 0.00 -0.54 -2.28 119.26 121.77 1pk5 h ALA 339 Ca 0.14 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1pk5 h ALA 339 Cb 0.40 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1pk5 h ALA 339 CO 0.01 0.65 -0.05 -0.22 0.00 0.00 0.00 179.25 179.65 1pk5 h LYS 340 N 0.93 -0.12 -0.38 0.00 3.64 -1.22 -1.47 116.57 117.95 1pk5 h LYS 340 Ca 0.17 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1pk5 h LYS 340 Cb 0.53 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1pk5 h LYS 340 CO 0.03 0.09 0.16 0.82 -2.27 0.00 0.00 179.45 178.28 1pk5 h ILE 341 N -0.33 1.18 -0.97 2.00 2.04 -1.43 -0.95 117.51 119.06 1pk5 h ILE 341 Ca -0.01 -0.55 0.01 0.00 1.00 0.00 0.00 64.86 65.30 1pk5 h ILE 341 Cb 0.27 0.85 -0.05 0.00 -0.74 0.00 0.00 36.82 37.16 1pk5 h ILE 341 CO 0.02 0.20 0.63 -0.03 0.00 0.00 0.00 178.15 178.97 1pk5 h MET 342 N 0.46 1.29 -0.47 2.37 4.05 -1.41 -1.04 114.93 120.19 1pk5 h MET 342 Ca 0.13 -0.09 -0.10 0.00 -0.28 0.00 0.00 59.70 59.36 1pk5 h MET 342 Cb 0.16 -0.28 -0.02 0.00 -0.80 0.00 0.00 31.60 30.66 1pk5 h MET 342 CO -0.01 0.86 -0.09 0.00 0.23 0.00 0.00 176.91 177.90 1pk5 h ALA 343 N 1.37 0.95 -0.51 0.39 0.00 -1.03 -2.30 119.26 118.13 1pk5 h ALA 343 Ca 0.35 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1pk5 h ALA 343 Cb -0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1pk5 h ALA 343 CO -0.07 0.62 0.11 -0.92 0.00 0.00 0.00 179.25 178.98 1pk5 h TYR 344 N 0.76 0.81 0.00 0.00 3.20 -0.25 -1.80 116.97 119.70 1pk5 h TYR 344 Ca 0.13 -0.08 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1pk5 h TYR 344 Cb 0.59 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.62 1pk5 h TYR 344 CO 0.03 0.70 -0.27 -0.07 -1.64 0.00 0.00 178.16 176.91 1pk5 h LEU 345 N 0.76 0.00 0.15 2.82 -0.00 -0.93 -2.04 115.31 116.07 1pk5 h LEU 345 Ca 0.17 0.00 -0.33 0.00 -0.00 0.00 0.00 57.88 57.71 1pk5 h LEU 345 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1pk5 h LEU 345 CO 0.00 0.14 -1.67 1.56 -0.00 0.00 0.00 178.44 178.47 1pk5 h GLN 346 N 0.00 0.33 -0.62 1.13 4.20 -1.30 -2.81 115.11 116.03 1pk5 h GLN 346 Ca -0.01 -0.56 -0.03 0.00 0.06 0.00 0.00 58.65 58.12 1pk5 h GLN 346 Cb 1.11 0.21 -0.03 0.00 0.30 0.00 0.00 27.48 29.07 1pk5 h GLN 346 CO 0.02 1.21 0.26 1.96 -0.67 0.00 0.00 178.83 181.61 1pk5 h GLN 347 N 0.09 0.89 0.41 1.46 4.20 -1.38 0.38 115.11 121.17 1pk5 h GLN 347 Ca -0.30 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.25 1pk5 h GLN 347 Cb 2.06 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 29.69 1pk5 h GLN 347 CO 0.17 0.72 -0.20 1.49 -0.67 0.00 0.00 178.83 180.34 1pk5 h GLU 348 N 0.88 -0.54 0.00 1.46 4.57 -1.41 -1.33 114.58 118.22 1pk5 h GLU 348 Ca 0.21 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1pk5 h GLU 348 Cb 0.15 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 1pk5 h GLU 348 CO -0.02 -0.27 0.00 0.37 -1.18 0.00 0.00 179.01 177.91 1pk5 h GLN 349 N -0.73 0.00 0.26 1.92 5.75 -1.29 -3.11 115.11 117.91 1pk5 h GLN 349 Ca -0.06 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 1pk5 h GLN 349 Cb 0.52 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.07 1pk5 h GLN 349 CO 0.09 0.00 -0.13 1.03 -2.65 0.00 0.00 178.83 177.18 1pk5 h SER 350 N 0.00 -0.30 0.00 -0.69 0.87 -0.12 -3.19 113.55 110.12 1pk5 h SER 350 Ca 0.00 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1pk5 h SER 350 Cb 0.61 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1pk5 h SER 350 CO 0.00 0.10 0.00 0.59 -0.53 0.00 0.00 176.83 176.99 1pk5 n ASN 351 N -4.67 0.04 0.00 6.23 3.02 -0.51 -5.08 115.26 114.29 1pk5 n ASN 351 Ca -0.04 -0.21 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 1pk5 n ASN 351 Cb 0.14 -0.02 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 1pk5 n ASN 351 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1pk5 n ARG 352 N -0.15 1.82 0.00 3.52 1.74 -1.18 -5.05 116.66 117.36 1pk5 n ARG 352 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1pk5 n ARG 352 Cb 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.45 1pk5 n ARG 352 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1pk5 n LEU 358 N 0.00 0.00 0.00 0.55 4.32 -1.26 -5.05 117.00 115.56 1pk5 n LEU 358 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1pk5 n LEU 358 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1pk5 n LEU 358 CO 0.00 0.00 0.00 -1.54 -1.22 0.00 0.00 177.39 174.63 1pk5 n SER 359 N 0.00 0.00 0.30 -1.43 3.41 -1.26 -4.53 113.62 110.11 1pk5 n SER 359 Ca 0.00 0.04 -0.13 0.00 -0.26 0.00 0.00 58.87 58.52 1pk5 n SER 359 Cb 0.00 -0.10 -0.06 0.00 -0.26 0.00 0.00 64.21 63.78 1pk5 n SER 359 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pk5 h ALA 360 N -2.00 -0.81 0.24 7.33 0.00 -2.02 -3.20 119.26 118.80 1pk5 h ALA 360 Ca 0.00 -0.19 -0.32 0.00 0.00 0.00 0.00 54.91 54.40 1pk5 h ALA 360 Cb 0.00 0.31 0.03 0.00 0.00 0.00 0.00 17.79 18.14 1pk5 h ALA 360 CO 0.00 -0.76 -1.45 0.35 0.00 0.00 0.00 179.25 177.39 1pk5 h PHE 361 N -1.19 0.92 0.00 0.00 3.57 -1.93 -3.38 116.94 114.93 1pk5 h PHE 361 Ca -0.08 -0.67 0.00 0.00 3.53 0.00 0.00 57.97 60.75 1pk5 h PHE 361 Cb 0.64 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.34 1pk5 h PHE 361 CO 0.00 1.56 0.00 0.78 -2.23 0.00 0.00 178.31 178.42 1pk5 h GLY 362 N 0.15 0.00 1.20 2.40 0.00 -1.83 -2.98 103.07 101.99 1pk5 h GLY 362 Ca -0.26 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.82 1pk5 h GLY 362 CO 0.25 0.00 -0.98 1.41 0.00 0.00 0.00 176.54 177.23 1pk5 h LEU 363 N 0.00 0.93 -0.15 3.11 3.38 -1.73 -2.79 115.31 118.05 1pk5 h LEU 363 Ca 0.00 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1pk5 h LEU 363 Cb 0.51 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1pk5 h LEU 363 CO 0.00 1.51 0.00 -0.07 0.09 0.00 0.00 178.44 179.97 1pk5 h LEU 364 N 0.43 0.00 0.05 1.67 3.38 -1.73 -1.32 115.31 117.79 1pk5 h LEU 364 Ca -0.11 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.64 1pk5 h LEU 364 Cb 1.63 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.40 1pk5 h LEU 364 CO 0.19 0.00 -0.87 0.00 0.09 0.00 0.00 178.44 177.86 1pk5 h LYS 366 N 0.04 0.03 0.05 0.00 6.56 -1.43 0.55 116.57 122.36 1pk5 h LYS 366 Ca -0.12 -0.01 -0.00 0.00 -1.06 0.00 0.00 60.65 59.45 1pk5 h LYS 366 Cb 1.58 -0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.24 1pk5 h LYS 366 CO 0.17 0.48 -0.02 1.98 -2.06 0.00 0.00 179.45 179.99 1pk5 h MET 367 N 0.02 -0.06 -0.51 3.15 4.05 -1.21 -1.09 114.93 119.28 1pk5 h MET 367 Ca -0.00 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.36 1pk5 h MET 367 Cb 0.81 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.60 1pk5 h MET 367 CO 0.06 0.23 0.07 0.00 0.23 0.00 0.00 176.91 177.50 1pk5 h ALA 368 N 0.58 1.16 -0.25 0.39 0.00 -1.29 -0.33 119.26 119.53 1pk5 h ALA 368 Ca -0.01 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.71 1pk5 h ALA 368 Cb 0.32 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1pk5 h ALA 368 CO 0.01 0.55 0.03 0.22 0.00 0.00 0.00 179.25 180.06 1pk5 h ASP 369 N 0.77 -0.04 -0.35 0.00 -0.00 -0.73 0.42 116.42 116.48 1pk5 h ASP 369 Ca 0.16 0.05 -0.04 0.00 -0.00 0.00 0.00 57.03 57.19 1pk5 h ASP 369 Cb 0.37 0.07 -0.01 0.00 -0.00 0.00 0.00 39.33 39.76 1pk5 h ASP 369 CO 0.01 0.01 0.05 1.56 -0.00 0.00 0.00 179.24 180.87 1pk5 h GLN 370 N 0.11 0.59 -0.95 0.28 1.08 -0.82 -2.01 115.11 113.40 1pk5 h GLN 370 Ca 0.12 -0.16 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1pk5 h GLN 370 Cb 0.13 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.45 1pk5 h GLN 370 CO -0.17 0.66 0.63 1.15 -0.95 0.00 0.00 178.83 180.15 1pk5 h THR 371 N 0.42 1.25 -0.57 -0.54 2.02 -0.62 -1.54 112.91 113.33 1pk5 h THR 371 Ca 0.11 -0.45 -0.06 0.00 0.77 0.00 0.00 66.41 66.77 1pk5 h THR 371 Cb 0.36 -0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 1pk5 h THR 371 CO 0.01 0.24 0.11 0.25 0.37 0.00 0.00 175.52 176.50 1pk5 h LEU 372 N 1.29 0.85 -0.91 2.58 6.46 0.11 -1.02 115.31 124.66 1pk5 h LEU 372 Ca 0.35 -0.17 -0.09 0.00 -0.12 0.00 0.00 57.88 57.85 1pk5 h LEU 372 Cb -0.14 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 39.55 1pk5 h LEU 372 CO -0.07 0.84 -0.17 0.15 -0.62 0.00 0.00 178.44 178.57 1pk5 h PHE 373 N 0.86 0.67 -0.57 1.25 3.57 -0.62 -0.33 116.94 121.76 1pk5 h PHE 373 Ca 0.18 -0.13 -0.09 0.00 3.53 0.00 0.00 57.97 61.47 1pk5 h PHE 373 Cb 0.35 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 1pk5 h PHE 373 CO 0.02 0.74 0.01 0.77 -2.23 0.00 0.00 178.31 177.63 1pk5 h SER 374 N 0.55 0.94 -0.51 0.41 0.02 -0.64 -1.50 113.55 112.82 1pk5 h SER 374 Ca 0.09 -0.25 -0.13 0.00 -0.84 0.00 0.00 61.79 60.67 1pk5 h SER 374 Cb 0.60 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1pk5 h SER 374 CO 0.04 0.99 -0.17 0.40 -1.14 0.00 0.00 176.83 176.95 1pk5 h ILE 375 N 0.90 1.27 -0.52 3.27 2.04 -0.79 0.20 117.51 123.88 1pk5 h ILE 375 Ca 0.17 -1.34 -0.07 0.00 1.00 0.00 0.00 64.86 64.61 1pk5 h ILE 375 Cb 0.51 1.06 -0.02 0.00 -0.74 0.00 0.00 36.82 37.62 1pk5 h ILE 375 CO 0.02 0.47 0.04 0.58 0.00 0.00 0.00 178.15 179.26 1pk5 h VAL 376 N 0.89 1.26 -0.05 1.67 2.07 -0.88 -1.63 116.25 119.57 1pk5 h VAL 376 Ca 0.12 -1.03 -0.12 0.00 0.82 0.00 0.00 66.70 66.50 1pk5 h VAL 376 Cb 0.75 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1pk5 h VAL 376 CO 0.06 0.36 -0.50 -0.33 0.02 0.00 0.00 177.57 177.18 1pk5 h GLU 377 N 0.76 0.14 0.03 1.57 4.39 -1.13 -2.44 114.58 117.89 1pk5 h GLU 377 Ca 0.15 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1pk5 h GLU 377 Cb 0.47 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1pk5 h GLU 377 CO 0.02 0.61 -0.01 2.35 -1.16 0.00 0.00 179.01 180.82 1pk5 h TRP 378 N 0.11 -0.03 -0.06 4.33 7.01 -0.62 -1.69 115.95 125.00 1pk5 h TRP 378 Ca 0.00 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.02 1pk5 h TRP 378 Cb 0.93 0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 27.98 1pk5 h TRP 378 CO 0.01 0.23 -0.04 0.00 -2.79 0.00 0.00 178.44 175.84 1pk5 h ALA 379 N 0.68 0.01 -0.51 2.65 0.00 -1.26 -0.63 119.26 120.19 1pk5 h ALA 379 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1pk5 h ALA 379 Cb 0.27 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 1pk5 h ALA 379 CO 0.01 -0.52 0.34 0.00 0.00 0.00 0.00 179.25 179.08 1pk5 h ARG 380 N -0.05 0.68 0.00 0.00 3.08 -1.43 -1.03 114.38 115.63 1pk5 h ARG 380 Ca 0.04 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1pk5 h ARG 380 Cb 0.11 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.01 1pk5 h ARG 380 CO -0.09 0.45 -0.32 0.43 -1.07 0.00 0.00 179.97 179.37 1pk5 n SER 381 N -4.46 0.33 -4.76 7.04 7.64 -0.64 -4.12 113.62 114.65 1pk5 n SER 381 Ca 0.05 0.04 -0.36 0.00 1.01 0.00 0.00 58.87 59.60 1pk5 n SER 381 Cb 0.05 -0.04 0.01 0.00 -1.01 0.00 0.00 64.21 63.23 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 -3.06 5.68 0.00 6.43 0.15 -0.26 -4.91 113.70 117.73 1pk5 s SER 382 Ca 0.12 2.37 0.00 0.00 0.70 0.00 0.00 55.95 59.14 1pk5 s SER 382 Cb 0.18 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 1pk5 s SER 382 CO 0.64 -1.26 0.70 0.00 1.20 0.00 0.00 173.24 174.52 1pk5 n ILE 383 N -1.04 0.00 0.70 6.45 3.06 -1.26 -2.46 119.36 124.80 1pk5 n ILE 383 Ca 0.10 1.05 0.12 0.00 -2.50 0.00 0.00 62.75 61.52 1pk5 n ILE 383 Cb 0.49 -1.41 0.12 0.00 0.54 0.00 0.00 39.64 39.37 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 -2.61 0.28 0.02 9.51 3.72 -1.26 -3.39 117.46 123.73 1pk5 n PHE 384 Ca 0.00 0.08 -0.17 0.00 -0.05 0.00 0.00 57.45 57.31 1pk5 n PHE 384 Cb 0.00 -0.44 -0.07 0.00 -0.94 0.00 0.00 39.48 38.03 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 0.96 0.00 1.38 3.57 -1.80 -3.19 116.94 117.86 1pk5 h PHE 385 Ca 0.00 -0.48 -0.01 0.00 3.53 0.00 0.00 57.97 61.01 1pk5 h PHE 385 Cb 0.67 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.28 1pk5 h PHE 385 CO 0.00 1.31 -0.04 0.07 -2.23 0.00 0.00 178.31 177.42 1pk5 h ARG 386 N 0.42 0.00 0.00 1.11 0.11 -1.49 -1.51 114.38 113.02 1pk5 h ARG 386 Ca -0.09 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.98 1pk5 h ARG 386 Cb 1.54 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.62 1pk5 h ARG 386 CO 0.18 0.04 -0.07 1.49 0.10 0.00 0.00 179.97 181.70 1pk5 h GLU 387 N 0.00 0.00 -7.10 0.08 4.57 -1.72 -3.44 114.58 106.97 1pk5 h GLU 387 Ca -0.00 0.00 -0.47 0.00 -1.18 0.00 0.00 59.36 57.71 1pk5 h GLU 387 Cb 0.08 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1pk5 h GLU 387 CO 0.00 0.07 0.32 -0.51 -1.18 0.00 0.00 179.01 177.72 1pk5 s LEU 388 N -6.57 3.73 0.32 1.64 1.43 -0.57 -5.05 118.68 113.61 1pk5 s LEU 388 Ca -0.01 1.52 -0.22 0.00 -1.03 0.00 0.00 54.13 54.39 1pk5 s LEU 388 Cb 0.11 -4.43 -0.10 0.00 0.03 0.00 0.00 46.19 41.81 1pk5 s LEU 388 CO 0.55 -0.50 0.87 -0.54 0.23 0.00 0.00 176.35 176.95 1pk5 s LYS 389 N -3.83 4.36 0.45 1.70 1.02 -1.26 -4.82 119.74 117.36 1pk5 s LYS 389 Ca 0.58 1.10 0.34 0.00 0.02 0.00 0.00 55.97 58.01 1pk5 s LYS 389 Cb -0.10 -2.64 1.49 0.00 -0.52 0.00 0.00 37.83 36.06 1pk5 s LYS 389 CO 0.27 0.23 1.52 0.28 -0.92 0.00 0.00 175.35 176.73 1pk5 n VAL 390 N 0.23 -0.21 -0.08 3.17 0.31 -1.26 0.26 118.33 120.75 1pk5 n VAL 390 Ca 0.02 1.72 -0.13 0.00 -0.01 0.00 0.00 64.34 65.94 1pk5 n VAL 390 Cb 0.51 -2.82 -0.05 0.00 -0.91 0.00 0.00 33.84 30.58 1pk5 n VAL 390 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1pk5 h ASP 391 N 0.00 0.60 -0.17 4.52 3.58 -1.99 0.03 116.42 122.99 1pk5 h ASP 391 Ca 0.87 -0.45 -0.11 0.00 0.42 0.00 0.00 57.03 57.77 1pk5 h ASP 391 Cb 2.91 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 43.78 1pk5 h ASP 391 CO -0.39 0.92 -0.24 0.44 -2.88 0.00 0.00 179.24 177.09 1pk5 h ASP 392 N 0.28 0.63 -0.47 2.28 5.19 -0.56 -1.57 116.42 122.19 1pk5 h ASP 392 Ca 0.05 -0.22 -0.09 0.00 -0.62 0.00 0.00 57.03 56.15 1pk5 h ASP 392 Cb 0.72 -0.17 -0.02 0.00 0.18 0.00 0.00 39.33 40.04 1pk5 h ASP 392 CO 0.05 0.86 -0.02 1.56 -3.12 0.00 0.00 179.24 178.57 1pk5 h GLN 393 N 0.55 0.91 0.17 3.56 4.20 -1.17 -1.80 115.11 121.54 1pk5 h GLN 393 Ca 0.08 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 1pk5 h GLN 393 Cb 0.70 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1pk5 h GLN 393 CO 0.05 0.91 -0.13 0.52 -0.67 0.00 0.00 178.83 179.51 1pk5 h MET 394 N 0.83 -0.30 -0.77 1.46 2.86 -0.54 -0.43 114.93 118.03 1pk5 h MET 394 Ca 0.15 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1pk5 h MET 394 Cb 0.52 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.22 1pk5 h MET 394 CO 0.03 -0.20 0.43 0.87 1.06 0.00 0.00 176.91 179.09 1pk5 h LYS 395 N -0.32 1.07 -0.52 1.72 1.57 -1.19 -0.65 116.57 118.26 1pk5 h LYS 395 Ca -0.01 -0.12 -0.10 0.00 -1.87 0.00 0.00 60.65 58.55 1pk5 h LYS 395 Cb 0.28 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1pk5 h LYS 395 CO -0.01 0.79 -0.05 -0.07 -0.57 0.00 0.00 179.45 179.54 1pk5 h LEU 396 N 1.06 0.95 -0.27 2.94 4.07 -1.15 -2.74 115.31 120.17 1pk5 h LEU 396 Ca 0.27 -0.33 -0.21 0.00 0.08 0.00 0.00 57.88 57.69 1pk5 h LEU 396 Cb 0.03 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.51 1pk5 h LEU 396 CO -0.04 1.05 -0.82 -0.07 -1.08 0.00 0.00 178.44 177.47 1pk5 h LEU 397 N 0.83 0.58 -1.57 1.67 3.38 -0.87 -2.81 115.31 116.51 1pk5 h LEU 397 Ca 0.14 -0.41 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 1pk5 h LEU 397 Cb 0.60 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1pk5 h LEU 397 CO 0.04 1.18 -0.12 1.56 0.09 0.00 0.00 178.44 181.19 1pk5 h GLN 398 N 0.30 0.00 0.00 1.13 4.20 -1.12 0.60 115.11 120.22 1pk5 h GLN 398 Ca -0.05 0.00 -0.19 0.00 0.06 0.00 0.00 58.65 58.47 1pk5 h GLN 398 Cb 1.43 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.18 1pk5 h GLN 398 CO 0.15 0.12 -1.23 -0.97 -0.67 0.00 0.00 178.83 176.23 1pk5 h ASN 399 N 0.00 0.00 0.00 1.46 -0.73 -1.38 -3.40 115.58 111.53 1pk5 h ASN 399 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1pk5 h ASN 399 Cb 0.52 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.11 1pk5 h ASN 399 CO 0.02 0.71 0.00 0.00 -0.37 0.00 0.00 177.43 177.78 1pk5 h TRP 401 N 0.00 0.22 -0.58 0.00 5.08 -1.10 -0.87 115.95 118.71 1pk5 h TRP 401 Ca 0.00 0.04 -0.02 0.00 1.08 0.00 0.00 58.89 59.99 1pk5 h TRP 401 Cb 0.50 -0.01 -0.03 0.00 -3.00 0.00 0.00 29.16 26.63 1pk5 h TRP 401 CO 0.00 -0.02 0.29 1.03 -1.28 0.00 0.00 178.44 178.46 1pk5 h SER 402 N 0.27 0.74 -0.59 0.11 0.87 -1.88 -1.05 113.55 112.03 1pk5 h SER 402 Ca 0.31 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1pk5 h SER 402 Cb 0.46 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.20 1pk5 h SER 402 CO -0.39 0.65 0.28 -0.33 -0.53 0.00 0.00 176.83 176.50 1pk5 h GLU 403 N 0.78 0.85 -0.57 2.24 5.08 -1.64 -1.59 114.58 119.72 1pk5 h GLU 403 Ca 0.20 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.37 1pk5 h GLU 403 Cb 0.09 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1pk5 h GLU 403 CO -0.03 0.69 0.09 -0.07 -1.00 0.00 0.00 179.01 178.69 1pk5 h LEU 404 N 0.80 0.87 -0.35 1.33 3.38 -0.95 0.39 115.31 120.77 1pk5 h LEU 404 Ca 0.20 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1pk5 h LEU 404 Cb 0.12 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1pk5 h LEU 404 CO -0.02 0.88 0.19 0.25 0.09 0.00 0.00 178.44 179.83 1pk5 h LEU 405 N 0.87 0.44 -0.21 1.67 6.46 -0.86 -0.53 115.31 123.15 1pk5 h LEU 405 Ca 0.18 -0.09 -0.21 0.00 -0.12 0.00 0.00 57.88 57.63 1pk5 h LEU 405 Cb 0.39 -0.11 0.01 0.00 -0.73 0.00 0.00 40.66 40.21 1pk5 h LEU 405 CO 0.01 0.40 -0.74 0.40 -0.62 0.00 0.00 178.44 177.89 1pk5 h ILE 406 N 0.44 1.29 -0.15 4.05 2.04 -0.95 -2.41 117.51 121.82 1pk5 h ILE 406 Ca 0.12 -1.96 -0.06 0.00 1.00 0.00 0.00 64.86 63.97 1pk5 h ILE 406 Cb 0.06 1.94 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1pk5 h ILE 406 CO -0.02 0.62 -0.18 0.25 0.00 0.00 0.00 178.15 178.82 1pk5 h LEU 407 N 0.53 0.25 -0.36 1.44 5.85 -0.14 0.18 115.31 123.06 1pk5 h LEU 407 Ca -0.04 -0.06 -0.15 0.00 0.84 0.00 0.00 57.88 58.47 1pk5 h LEU 407 Cb 1.36 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1pk5 h LEU 407 CO 0.15 0.45 -0.36 -0.78 -0.34 0.00 0.00 178.44 177.56 1pk5 h ASP 408 N 0.24 0.94 -0.44 1.25 3.58 -1.01 -1.05 116.42 119.93 1pk5 h ASP 408 Ca 0.04 -0.47 -0.05 0.00 0.42 0.00 0.00 57.03 56.98 1pk5 h ASP 408 Cb 0.47 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 1pk5 h ASP 408 CO 0.03 1.21 0.09 -0.74 -2.88 0.00 0.00 179.24 176.95 1pk5 h HIS 409 N 0.68 0.75 -0.40 0.28 2.76 -0.86 -2.28 115.15 116.08 1pk5 h HIS 409 Ca 0.06 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 1pk5 h HIS 409 Cb 0.95 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.68 1pk5 h HIS 409 CO 0.07 0.71 0.20 0.82 -1.30 0.00 0.00 177.93 178.42 1pk5 h ILE 410 N 0.58 1.17 -0.37 6.26 2.04 -0.49 -2.63 117.51 124.07 1pk5 h ILE 410 Ca 0.13 -0.47 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 1pk5 h ILE 410 Cb 0.35 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 1pk5 h ILE 410 CO 0.00 0.18 -0.17 0.22 0.00 0.00 0.00 178.15 178.38 1pk5 h TYR 411 N 0.51 0.77 -0.98 1.37 5.03 -1.18 -2.26 116.97 120.23 1pk5 h TYR 411 Ca 0.14 -0.15 0.12 0.00 2.58 0.00 0.00 58.73 61.41 1pk5 h TYR 411 Cb 0.10 -0.19 -0.08 0.00 1.55 0.00 0.00 36.73 38.11 1pk5 h TYR 411 CO -0.02 0.82 0.61 -0.09 -1.32 0.00 0.00 178.16 178.17 1pk5 h ARG 412 N 0.62 0.94 -0.02 1.82 2.43 -1.06 0.49 114.38 119.61 1pk5 h ARG 412 Ca 0.10 -0.06 -0.15 0.00 -0.81 0.00 0.00 59.98 59.06 1pk5 h ARG 412 Cb 0.64 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.96 1pk5 h ARG 412 CO 0.05 0.62 -0.69 1.96 -1.51 0.00 0.00 179.97 180.40 1pk5 h GLN 413 N 0.97 0.09 -0.03 0.20 1.08 -1.14 -0.34 115.11 115.94 1pk5 h GLN 413 Ca 0.49 -0.08 -0.05 0.00 -1.45 0.00 0.00 58.65 57.56 1pk5 h GLN 413 Cb 0.48 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 1pk5 h GLN 413 CO -0.27 0.75 -0.19 0.28 -0.95 0.00 0.00 178.83 178.45 1pk5 h VAL 414 N 0.06 1.48 -0.08 -0.54 2.07 -0.42 0.08 116.25 118.90 1pk5 h VAL 414 Ca -0.01 -1.70 -0.10 0.00 0.82 0.00 0.00 66.70 65.70 1pk5 h VAL 414 Cb 1.22 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 33.49 1pk5 h VAL 414 CO 0.10 0.47 -0.35 0.00 0.02 0.00 0.00 177.57 177.80 1pk5 h ALA 415 N 0.37 0.15 0.00 1.67 0.00 -0.14 -3.39 119.26 117.91 1pk5 h ALA 415 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1pk5 h ALA 415 Cb 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1pk5 h ALA 415 CO 0.04 0.23 0.00 0.72 0.00 0.00 0.00 179.25 180.24 1pk5 n HIS 416 N -4.39 0.00 -1.31 0.00 8.25 -0.17 -5.07 115.22 112.54 1pk5 n HIS 416 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.38 1pk5 n HIS 416 Cb 0.52 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.63 1pk5 n HIS 416 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pk5 n GLY 417 N 0.07 0.18 0.30 -1.41 0.00 0.02 -4.94 105.19 99.41 1pk5 n GLY 417 Ca 0.00 -1.82 -0.01 0.00 0.00 0.00 0.00 46.02 44.19 1pk5 n GLY 417 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1pk5 n LYS 418 N -0.52 0.08 0.08 1.61 2.85 -1.26 -4.90 118.16 116.11 1pk5 n LYS 418 Ca 0.00 -0.16 -0.04 0.00 -1.05 0.00 0.00 58.31 57.07 1pk5 n LYS 418 Cb 0.00 0.20 -0.02 0.00 -0.65 0.00 0.00 35.03 34.56 1pk5 n LYS 418 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 1pk5 h GLU 419 N 0.00 -0.23 -0.04 -1.58 5.08 -1.99 -3.37 114.58 112.45 1pk5 h GLU 419 Ca -0.03 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1pk5 h GLU 419 Cb 0.10 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1pk5 h GLU 419 CO 0.03 -0.15 0.00 0.41 -1.00 0.00 0.00 179.01 178.30 1pk5 n GLY 420 N 0.50 0.32 3.55 -3.84 0.00 -1.26 -4.96 105.19 99.51 1pk5 n GLY 420 Ca -0.03 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 1pk5 n GLY 420 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pk5 s THR 421 N -1.98 2.29 -0.13 2.61 -1.32 -1.26 0.49 115.64 116.34 1pk5 s THR 421 Ca 0.35 -2.18 0.03 0.00 -1.21 0.00 0.00 61.69 58.68 1pk5 s THR 421 Cb 0.21 -2.66 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 1pk5 s THR 421 CO 0.32 -0.20 -0.22 -0.63 -2.21 0.00 0.00 174.62 171.68 1pk5 s ILE 422 N -2.60 2.14 -0.18 5.08 -1.09 0.01 -4.60 121.20 119.95 1pk5 s ILE 422 Ca 0.33 -0.97 -0.19 0.00 -2.23 0.00 0.00 60.65 57.59 1pk5 s ILE 422 Cb 0.02 -1.84 -0.03 0.00 -1.58 0.00 0.00 42.46 39.03 1pk5 s ILE 422 CO 0.17 0.55 0.55 0.12 -1.23 0.00 0.00 174.94 175.10 1pk5 s PHE 423 N 0.61 3.40 0.29 3.97 5.36 -1.26 -2.83 117.98 127.52 1pk5 s PHE 423 Ca -0.12 0.85 0.01 0.00 -0.96 0.00 0.00 56.93 56.71 1pk5 s PHE 423 Cb -0.16 -2.69 -0.04 0.00 -0.34 0.00 0.00 43.02 39.79 1pk5 s PHE 423 CO 0.03 -0.07 0.47 -0.51 -1.46 0.00 0.00 175.22 173.68 1pk5 s LEU 424 N 1.51 4.13 0.61 6.12 1.43 -0.30 -4.80 118.68 127.39 1pk5 s LEU 424 Ca 0.26 0.38 0.32 0.00 -1.03 0.00 0.00 54.13 54.06 1pk5 s LEU 424 Cb -0.16 -3.20 1.87 0.00 0.03 0.00 0.00 46.19 44.74 1pk5 s LEU 424 CO 0.10 -0.18 2.19 1.62 0.23 0.00 0.00 176.35 180.31 1pk5 h VAL 425 N 1.06 0.35 0.00 -1.59 3.04 -1.98 0.83 116.25 117.96 1pk5 h VAL 425 Ca -0.50 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1pk5 h VAL 425 Cb 1.21 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.39 1pk5 h VAL 425 CO 0.63 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.54 1pk5 n THR 426 N -3.58 0.06 -0.59 3.17 -2.24 -1.26 -4.49 114.28 105.35 1pk5 n THR 426 Ca -0.01 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1pk5 n THR 426 Cb 0.21 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 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 0.80 0.84 3.80 3.38 0.00 0.29 -4.85 105.19 109.44 1pk5 n GLY 427 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.39 3.94 -0.60 1.61 2.02 -1.25 -4.84 118.70 119.19 1pk5 s GLU 428 Ca 0.00 1.33 0.04 0.00 0.02 0.00 0.00 54.97 56.36 1pk5 s GLU 428 Cb 0.00 -2.17 0.36 0.00 0.10 0.00 0.00 34.13 32.42 1pk5 s GLU 428 CO 0.00 -0.31 1.18 0.72 0.02 0.00 0.00 175.26 176.87 1pk5 n HIS 429 N -0.78 3.64 -1.81 1.61 8.25 -1.26 -1.15 115.22 123.72 1pk5 n HIS 429 Ca 0.08 -3.43 -0.42 0.00 -0.26 0.00 0.00 57.72 53.69 1pk5 n HIS 429 Cb 0.52 -0.48 -0.02 0.00 1.12 0.00 0.00 29.99 31.13 1pk5 n HIS 429 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1pk5 s VAL 430 N -4.86 2.19 0.55 1.59 1.01 -1.13 -4.71 120.40 115.04 1pk5 s VAL 430 Ca 0.48 0.15 -0.21 0.00 0.00 0.00 0.00 61.98 62.40 1pk5 s VAL 430 Cb 0.32 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 1pk5 s VAL 430 CO -0.18 0.02 1.28 -0.62 0.00 0.00 0.00 175.10 175.60 1pk5 s ASP 431 N 0.80 5.34 0.08 3.32 -1.08 -1.26 -0.81 116.67 123.05 1pk5 s ASP 431 Ca 0.68 2.58 -0.11 0.00 -0.52 0.00 0.00 52.55 55.18 1pk5 s ASP 431 Cb -0.47 -2.62 -0.24 0.00 -1.46 0.00 0.00 42.92 38.13 1pk5 s ASP 431 CO 0.40 -1.50 1.16 0.22 0.52 0.00 0.00 175.17 175.96 1pk5 h TYR 432 N 1.34 0.85 -1.01 -5.34 3.20 -0.25 -3.10 116.97 112.67 1pk5 h TYR 432 Ca -0.51 -0.53 0.07 0.00 3.14 0.00 0.00 58.73 60.91 1pk5 h TYR 432 Cb 1.29 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 39.42 1pk5 h TYR 432 CO 0.47 1.37 0.65 0.66 -1.64 0.00 0.00 178.16 179.67 1pk5 h SER 433 N 0.24 1.03 0.24 -2.11 4.64 -1.93 -1.85 113.55 113.82 1pk5 h SER 433 Ca -0.15 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.17 1pk5 h SER 433 Cb 1.84 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 1pk5 h SER 433 CO 0.22 0.65 -0.11 0.71 -0.87 0.00 0.00 176.83 177.42 1pk5 h THR 434 N 1.16 0.64 -0.80 2.95 1.35 -1.94 -2.90 112.91 113.37 1pk5 h THR 434 Ca 0.44 -0.93 0.13 0.00 -0.55 0.00 0.00 66.41 65.50 1pk5 h THR 434 Cb 0.20 1.04 -0.06 0.00 -1.73 0.00 0.00 68.15 67.61 1pk5 h THR 434 CO -0.18 0.16 0.52 0.40 -0.25 0.00 0.00 175.52 176.17 1pk5 h ILE 435 N -0.91 0.84 0.00 6.82 2.04 -1.46 0.62 117.51 125.47 1pk5 h ILE 435 Ca -0.03 -0.19 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 1pk5 h ILE 435 Cb 0.50 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1pk5 h ILE 435 CO 0.05 0.10 -0.42 0.40 0.00 0.00 0.00 178.15 178.29 1pk5 h ILE 436 N 0.57 1.26 0.00 -0.67 1.08 -1.41 -2.98 117.51 115.36 1pk5 h ILE 436 Ca 0.39 -1.45 -0.00 0.00 -0.39 0.00 0.00 64.86 63.41 1pk5 h ILE 436 Cb 0.71 1.79 0.00 0.00 -3.07 0.00 0.00 36.82 36.25 1pk5 h ILE 436 CO -0.15 0.41 -0.00 0.28 -0.69 0.00 0.00 178.15 178.00 1pk5 h SER 437 N 0.00 -0.00 0.00 1.72 0.02 0.12 -3.34 113.55 112.06 1pk5 h SER 437 Ca -0.00 -0.31 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1pk5 h SER 437 Cb 0.76 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1pk5 h SER 437 CO 0.05 0.65 0.00 1.41 -1.14 0.00 0.00 176.83 177.80 1pk5 n HIS 438 N -4.73 0.00 -4.20 3.45 8.25 0.16 -4.80 115.22 113.36 1pk5 n HIS 438 Ca -0.03 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.25 1pk5 n HIS 438 Cb 0.15 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.19 1pk5 n HIS 438 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1pk5 n THR 439 N -0.23 0.00 -1.46 1.59 -2.24 -1.13 -5.02 114.28 105.79 1pk5 n THR 439 Ca 0.00 -2.16 0.00 0.00 -2.27 0.00 0.00 64.05 59.62 1pk5 n THR 439 Cb 0.03 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.42 1pk5 n THR 439 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1pk5 n GLU 440 N -0.60 1.91 0.00 -0.78 -0.00 -1.26 -4.97 120.64 114.93 1pk5 n GLU 440 Ca 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.21 1pk5 n GLU 440 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.03 1pk5 n GLU 440 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 1pk5 n VAL 441 N -0.29 0.00 0.82 3.84 3.14 -1.26 -3.37 118.33 121.22 1pk5 n VAL 441 Ca 0.00 0.91 0.08 0.00 -2.96 0.00 0.00 64.34 62.37 1pk5 n VAL 441 Cb 0.00 -1.80 0.43 0.00 -1.06 0.00 0.00 33.84 31.41 1pk5 n VAL 441 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1pk5 n ALA 442 N -1.04 1.94 0.00 1.55 0.00 -1.26 -3.80 120.51 117.91 1pk5 n ALA 442 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 53.44 53.26 1pk5 n ALA 442 Cb 0.00 -1.27 -0.14 0.00 0.00 0.00 0.00 19.45 18.05 1pk5 n ALA 442 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1pk5 h PHE 443 N 0.00 0.08 -0.05 0.00 3.57 -1.98 -3.20 116.94 115.37 1pk5 h PHE 443 Ca 0.00 -0.06 -0.16 0.00 3.53 0.00 0.00 57.97 61.28 1pk5 h PHE 443 Cb 0.13 -0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1pk5 h PHE 443 CO 0.00 1.10 -0.68 -0.91 -2.23 0.00 0.00 178.31 175.58 1pk5 h ASN 444 N 0.01 0.27 0.39 0.41 2.35 -1.65 -2.08 115.58 115.27 1pk5 h ASN 444 Ca -0.24 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.32 1pk5 h ASN 444 Cb 1.97 -0.08 -0.00 0.00 0.05 0.00 0.00 38.32 40.26 1pk5 h ASN 444 CO 0.10 0.87 -0.22 0.78 -1.65 0.00 0.00 177.43 177.31 1pk5 h ASN 445 N 0.16 -0.54 0.55 5.81 2.35 -1.66 -1.78 115.58 120.47 1pk5 h ASN 445 Ca -0.02 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1pk5 h ASN 445 Cb 1.22 0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.73 1pk5 h ASN 445 CO 0.11 -0.36 -0.43 -0.07 -1.65 0.00 0.00 177.43 175.03 1pk5 h LEU 446 N -0.57 -1.14 -1.79 1.61 3.38 -1.55 -0.67 115.31 114.59 1pk5 h LEU 446 Ca -0.04 0.08 0.37 0.00 0.09 0.00 0.00 57.88 58.38 1pk5 h LEU 446 Cb 0.46 0.36 -0.07 0.00 0.09 0.00 0.00 40.66 41.50 1pk5 h LEU 446 CO 0.06 -0.62 0.90 0.25 0.09 0.00 0.00 178.44 179.11 1pk5 h LEU 447 N -0.96 0.13 0.21 1.67 5.85 -1.31 0.12 115.31 121.02 1pk5 h LEU 447 Ca -0.06 0.04 -0.29 0.00 0.84 0.00 0.00 57.88 58.40 1pk5 h LEU 447 Cb 0.81 0.02 0.03 0.00 0.37 0.00 0.00 40.66 41.89 1pk5 h LEU 447 CO 0.00 -0.01 -1.33 0.28 -0.34 0.00 0.00 178.44 177.04 1pk5 h SER 448 N 0.09 0.68 0.03 1.25 0.02 -0.58 -2.64 113.55 112.39 1pk5 h SER 448 Ca 0.66 -0.93 -0.02 0.00 -0.84 0.00 0.00 61.79 60.67 1pk5 h SER 448 Cb 2.37 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 64.68 1pk5 h SER 448 CO -0.12 1.63 -0.05 -0.07 -1.14 0.00 0.00 176.83 177.08 1pk5 h LEU 449 N -0.04 0.06 -0.17 5.07 3.38 0.69 -1.33 115.31 122.97 1pk5 h LEU 449 Ca -0.24 -0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.50 1pk5 h LEU 449 Cb 1.99 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.72 1pk5 h LEU 449 CO 0.21 0.12 -0.96 0.00 0.09 0.00 0.00 178.44 177.90 1pk5 h ALA 450 N 1.89 0.40 0.00 1.53 0.00 -1.22 -3.17 119.26 118.69 1pk5 h ALA 450 Ca 0.02 -0.76 -0.08 0.00 0.00 0.00 0.00 54.91 54.09 1pk5 h ALA 450 Cb 0.13 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1pk5 h ALA 450 CO 0.01 0.91 -0.37 0.37 0.00 0.00 0.00 179.25 180.17 1pk5 h GLN 451 N 0.13 0.00 0.18 0.00 5.75 -0.90 -1.74 115.11 118.53 1pk5 h GLN 451 Ca -0.07 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.42 1pk5 h GLN 451 Cb 1.62 0.00 0.00 0.00 1.07 0.00 0.00 27.48 30.17 1pk5 h GLN 451 CO 0.15 0.37 -0.09 0.93 -2.65 0.00 0.00 178.83 177.54 1pk5 h GLU 452 N 0.00 -0.24 -1.00 1.69 5.08 -1.27 -1.86 114.58 116.98 1pk5 h GLU 452 Ca -0.00 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.43 1pk5 h GLU 452 Cb 0.78 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.02 1pk5 h GLU 452 CO 0.05 0.03 0.65 -0.07 -1.00 0.00 0.00 179.01 178.66 1pk5 h LEU 453 N -0.49 1.05 -0.24 1.33 4.07 -1.48 0.59 115.31 120.14 1pk5 h LEU 453 Ca -0.03 0.00 0.04 0.00 0.08 0.00 0.00 57.88 57.98 1pk5 h LEU 453 Cb 0.37 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 41.85 1pk5 h LEU 453 CO 0.04 0.69 -0.02 0.58 -1.08 0.00 0.00 178.44 178.65 1pk5 h VAL 454 N 1.20 0.81 -0.20 1.22 2.07 -1.12 0.70 116.25 120.93 1pk5 h VAL 454 Ca 0.42 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.92 1pk5 h VAL 454 Cb 0.12 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 1pk5 h VAL 454 CO -0.16 0.01 0.11 0.58 0.02 0.00 0.00 177.57 178.14 1pk5 h VAL 455 N 0.05 1.10 0.12 2.57 2.07 -0.52 0.33 116.25 121.97 1pk5 h VAL 455 Ca 0.11 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.40 1pk5 h VAL 455 Cb 0.16 0.90 -0.02 0.00 -1.52 0.00 0.00 31.29 30.81 1pk5 h VAL 455 CO -0.21 0.09 -0.16 -0.09 0.02 0.00 0.00 177.57 177.22 1pk5 h ARG 456 N 0.23 -0.32 -0.85 1.57 9.65 -0.42 0.19 114.38 124.43 1pk5 h ARG 456 Ca 0.07 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.96 1pk5 h ARG 456 Cb 0.05 0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.66 1pk5 h ARG 456 CO -0.01 -0.21 0.47 -0.07 2.80 0.00 0.00 179.97 182.95 1pk5 h LEU 457 N -0.33 1.05 -0.70 3.80 -0.00 0.59 -2.08 115.31 117.64 1pk5 h LEU 457 Ca 0.02 -0.08 -0.01 0.00 -0.00 0.00 0.00 57.88 57.80 1pk5 h LEU 457 Cb 0.34 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 40.70 1pk5 h LEU 457 CO -0.07 0.84 0.39 -0.09 -0.00 0.00 0.00 178.44 179.51 1pk5 h ARG 458 N 1.19 0.97 0.00 1.13 9.65 0.18 -1.70 114.38 125.79 1pk5 h ARG 458 Ca 0.30 -0.11 -0.02 0.00 -1.10 0.00 0.00 59.98 59.05 1pk5 h ARG 458 Cb 0.01 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.40 1pk5 h ARG 458 CO -0.05 0.71 -0.10 0.66 2.80 0.00 0.00 179.97 183.99 1pk5 h SER 459 N 0.96 0.00 0.22 -3.80 4.64 -0.05 -2.36 113.55 113.15 1pk5 h SER 459 Ca 0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1pk5 h SER 459 Cb 0.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 1pk5 h SER 459 CO -0.04 0.10 -0.15 0.18 -0.87 0.00 0.00 176.83 176.05 1pk5 n LEU 460 N -3.41 0.91 -1.22 5.97 4.77 -0.68 -4.93 117.00 118.42 1pk5 n LEU 460 Ca -0.01 -0.22 -0.11 0.00 -0.03 0.00 0.00 56.01 55.64 1pk5 n LEU 460 Cb 0.27 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 1pk5 n LEU 460 CO 0.29 0.16 -0.14 0.00 -1.33 0.00 0.00 177.39 176.38 1pk5 n GLN 461 N -0.59 -0.88 -1.42 3.23 6.02 -0.89 -4.91 117.38 117.93 1pk5 n GLN 461 Ca 0.15 0.61 -0.50 0.00 -0.01 0.00 0.00 57.00 57.24 1pk5 n GLN 461 Cb 0.32 -4.71 -0.08 0.00 1.02 0.00 0.00 30.24 26.79 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 -3.78 1.43 -3.27 1.08 7.35 -0.97 -4.95 117.46 114.35 1pk5 n PHE 462 Ca -0.13 0.35 -0.22 0.00 -0.76 0.00 0.00 57.45 56.69 1pk5 n PHE 462 Cb 0.56 -2.49 0.05 0.00 0.35 0.00 0.00 39.48 37.95 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 7.61 4.93 0.37 -2.13 3.84 -1.26 -4.92 116.67 125.10 1pk5 s ASP 463 Ca 1.13 -1.00 0.05 0.00 -0.00 0.00 0.00 52.55 52.73 1pk5 s ASP 463 Cb -0.95 0.43 0.70 0.00 -1.38 0.00 0.00 42.92 41.72 1pk5 s ASP 463 CO 0.50 -1.34 1.97 -0.61 -0.00 0.00 0.00 175.17 175.69 1pk5 h GLN 464 N 0.28 0.60 -0.07 2.11 4.15 -1.99 -2.08 115.11 118.11 1pk5 h GLN 464 Ca -0.31 -0.07 -0.10 0.00 0.77 0.00 0.00 58.65 58.94 1pk5 h GLN 464 Cb 1.29 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 1pk5 h GLN 464 CO 0.45 0.49 -0.40 0.00 -1.93 0.00 0.00 178.83 177.43 1pk5 h ARG 465 N 0.60 0.14 0.00 1.69 -0.00 -1.98 -1.97 114.38 112.86 1pk5 h ARG 465 Ca 0.15 -0.06 -0.15 0.00 -0.50 0.00 0.00 59.98 59.42 1pk5 h ARG 465 Cb 0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.05 1pk5 h ARG 465 CO -0.02 0.52 -0.71 0.93 0.00 0.00 0.00 179.97 180.70 1pk5 h GLU 466 N 0.12 0.00 -0.07 0.04 5.08 -1.87 -3.06 114.58 114.82 1pk5 h GLU 466 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1pk5 h GLU 466 Cb 0.76 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1pk5 h GLU 466 CO 0.06 0.71 -0.01 0.35 -1.00 0.00 0.00 179.01 179.12 1pk5 h PHE 467 N 0.00 0.14 -0.20 4.33 3.57 -0.92 -1.47 116.94 122.40 1pk5 h PHE 467 Ca -0.01 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 1pk5 h PHE 467 Cb 1.51 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 40.20 1pk5 h PHE 467 CO 0.00 0.43 -0.11 -0.39 -2.23 0.00 0.00 178.31 176.00 1pk5 h VAL 468 N -0.18 1.19 -0.18 1.41 -1.51 -1.44 -0.33 116.25 115.22 1pk5 h VAL 468 Ca 0.02 -0.83 -0.02 0.00 -1.23 0.00 0.00 66.70 64.64 1pk5 h VAL 468 Cb 0.37 1.16 -0.01 0.00 -2.13 0.00 0.00 31.29 30.69 1pk5 h VAL 468 CO 0.01 0.26 0.04 0.00 -1.23 0.00 0.00 177.57 176.65 1pk5 h LEU 470 N 0.09 1.10 -0.93 0.00 4.07 -0.93 -0.76 115.31 117.95 1pk5 h LEU 470 Ca 0.05 -0.10 0.05 0.00 0.08 0.00 0.00 57.88 57.96 1pk5 h LEU 470 Cb 0.28 -0.28 -0.06 0.00 1.08 0.00 0.00 40.66 41.68 1pk5 h LEU 470 CO 0.00 0.88 0.60 0.11 -1.08 0.00 0.00 178.44 178.95 1pk5 h LYS 471 N 1.23 1.09 0.02 1.13 1.57 -0.84 -0.32 116.57 120.45 1pk5 h LYS 471 Ca 0.31 -0.07 -0.21 0.00 -1.87 0.00 0.00 60.65 58.81 1pk5 h LYS 471 Cb 0.03 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 1pk5 h LYS 471 CO -0.05 0.72 -0.95 0.74 -0.57 0.00 0.00 179.45 179.35 1pk5 h PHE 472 N 1.13 0.31 -0.38 -1.35 -1.00 -0.91 -1.92 116.94 112.82 1pk5 h PHE 472 Ca 0.39 -0.18 -0.05 0.00 2.81 0.00 0.00 57.97 60.93 1pk5 h PHE 472 Cb 0.08 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.59 1pk5 h PHE 472 CO -0.01 1.03 0.02 -0.07 -1.61 0.00 0.00 178.31 177.67 1pk5 h LEU 473 N 0.10 0.55 -0.13 1.54 4.07 -0.63 0.24 115.31 121.05 1pk5 h LEU 473 Ca -0.06 -0.10 -0.12 0.00 0.08 0.00 0.00 57.88 57.68 1pk5 h LEU 473 Cb 1.60 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 43.20 1pk5 h LEU 473 CO 0.15 0.61 -0.40 0.58 -1.08 0.00 0.00 178.44 178.29 1pk5 h VAL 474 N 0.56 1.37 -0.38 1.22 2.07 -1.00 -3.27 116.25 116.81 1pk5 h VAL 474 Ca 0.12 -1.71 -0.07 0.00 0.82 0.00 0.00 66.70 65.87 1pk5 h VAL 474 Cb 0.33 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1pk5 h VAL 474 CO 0.01 0.51 -0.02 0.25 0.02 0.00 0.00 177.57 178.34 1pk5 h LEU 475 N 0.10 0.68 -7.17 2.57 5.85 -1.03 -3.35 115.31 112.95 1pk5 h LEU 475 Ca -0.01 -0.32 -0.77 0.00 0.84 0.00 0.00 57.88 57.62 1pk5 h LEU 475 Cb 1.03 -0.18 -0.20 0.00 0.37 0.00 0.00 40.66 41.67 1pk5 h LEU 475 CO 0.09 0.84 1.32 0.49 -0.34 0.00 0.00 178.44 180.83 1pk5 n PHE 476 N -4.44 3.98 -3.16 1.25 3.01 0.80 -4.83 117.46 114.06 1pk5 n PHE 476 Ca -0.01 -3.16 -0.42 0.00 1.01 0.00 0.00 57.45 54.87 1pk5 n PHE 476 Cb 0.30 -1.88 -0.07 0.00 -0.01 0.00 0.00 39.48 37.81 1pk5 n PHE 476 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1pk5 s SER 477 N 1.22 6.33 0.00 4.37 0.01 -1.26 -4.67 113.70 119.70 1pk5 s SER 477 Ca 0.38 -0.21 0.00 0.00 1.31 0.00 0.00 55.95 57.43 1pk5 s SER 477 Cb 0.01 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.94 1pk5 s SER 477 CO 0.01 -0.65 0.44 -1.54 0.41 0.00 0.00 173.24 171.91 1pk5 n SER 478 N 6.02 1.11 -0.06 2.44 3.41 -1.26 -1.91 113.62 123.37 1pk5 n SER 478 Ca -0.03 -1.32 -0.02 0.00 -0.26 0.00 0.00 58.87 57.25 1pk5 n SER 478 Cb 0.48 -0.33 -0.16 0.00 -0.26 0.00 0.00 64.21 63.94 1pk5 n SER 478 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1pk5 n ASP 479 N 0.34 0.09 -4.69 4.04 2.03 -1.26 -4.93 116.55 112.17 1pk5 n ASP 479 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 1pk5 n ASP 479 Cb 0.22 1.39 -0.03 0.00 -0.72 0.00 0.00 41.12 41.98 1pk5 n ASP 479 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1pk5 s VAL 480 N -2.89 3.91 0.00 5.18 1.01 -0.80 -4.99 120.40 121.82 1pk5 s VAL 480 Ca -0.09 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.16 1pk5 s VAL 480 Cb 0.09 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1pk5 s VAL 480 CO 0.85 -0.01 0.67 2.29 0.00 0.00 0.00 175.10 178.90 1pk5 n LYS 481 N 5.36 0.00 -0.61 2.72 2.85 -1.26 -3.91 118.16 123.32 1pk5 n LYS 481 Ca 0.12 0.47 -0.03 0.00 -1.05 0.00 0.00 58.31 57.82 1pk5 n LYS 481 Cb 0.45 -1.32 -0.02 0.00 -0.65 0.00 0.00 35.03 33.49 1pk5 n LYS 481 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1pk5 n ASN 482 N -1.91 5.43 -4.73 -5.58 5.03 -1.26 -4.90 115.26 107.33 1pk5 n ASN 482 Ca 0.00 -2.48 -0.41 0.00 0.87 0.00 0.00 54.58 52.56 1pk5 n ASN 482 Cb 0.00 -1.16 -0.04 0.00 -1.02 0.00 0.00 39.78 37.56 1pk5 n ASN 482 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1pk5 s LEU 483 N -0.16 4.46 -0.01 3.41 1.02 -1.25 -4.94 118.68 121.22 1pk5 s LEU 483 Ca 0.12 2.03 -0.20 0.00 0.02 0.00 0.00 54.13 56.09 1pk5 s LEU 483 Cb 0.06 -3.60 -0.11 0.00 0.02 0.00 0.00 46.19 42.57 1pk5 s LEU 483 CO -0.00 -0.26 0.88 -0.08 0.02 0.00 0.00 176.35 176.91 1pk5 h GLU 484 N 5.56 -0.70 -3.44 1.70 4.81 -1.95 -3.35 114.58 117.22 1pk5 h GLU 484 Ca -0.43 0.05 -0.80 0.00 -0.13 0.00 0.00 59.36 58.05 1pk5 h GLU 484 Cb 1.21 0.16 -0.27 0.00 0.63 0.00 0.00 28.75 30.49 1pk5 h GLU 484 CO 0.74 -0.47 0.72 -1.71 -0.73 0.00 0.00 179.01 177.56 1pk5 n ASN 485 N -5.02 5.79 0.20 1.04 2.85 -1.26 -4.78 115.26 114.07 1pk5 n ASN 485 Ca -0.09 -3.16 0.06 0.00 -0.11 0.00 0.00 54.58 51.28 1pk5 n ASN 485 Cb 0.29 -1.36 0.40 0.00 1.24 0.00 0.00 39.78 40.34 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 6.54 0.00 -0.36 1.20 5.85 -1.99 -2.98 115.31 123.58 1pk5 h LEU 486 Ca 0.21 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 1pk5 h LEU 486 Cb 0.77 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.79 1pk5 h LEU 486 CO 1.17 0.33 -0.08 0.06 -0.34 0.00 0.00 178.44 179.59 1pk5 h GLN 487 N 0.00 0.68 -0.59 1.25 -0.00 -1.94 0.17 115.11 114.68 1pk5 h GLN 487 Ca -0.00 -0.26 -0.10 0.00 -0.00 0.00 0.00 58.65 58.29 1pk5 h GLN 487 Cb 0.79 -0.04 -0.02 0.00 -0.00 0.00 0.00 27.48 28.21 1pk5 h GLN 487 CO 0.04 0.84 -0.02 1.25 -0.00 0.00 0.00 178.83 180.94 1pk5 h LEU 488 N 0.48 1.02 -0.09 0.06 5.85 -1.95 -0.05 115.31 120.63 1pk5 h LEU 488 Ca 0.09 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1pk5 h LEU 488 Cb 0.58 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.34 1pk5 h LEU 488 CO 0.03 1.08 -0.04 0.58 -0.34 0.00 0.00 178.44 179.76 1pk5 h VAL 489 N 0.95 1.32 -0.10 1.05 2.07 -1.37 -0.26 116.25 119.90 1pk5 h VAL 489 Ca 0.16 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 1pk5 h VAL 489 Cb 0.58 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1pk5 h VAL 489 CO 0.03 0.29 -0.26 -0.33 0.02 0.00 0.00 177.57 177.33 1pk5 h GLU 490 N -0.18 0.18 -0.28 1.57 5.08 -0.65 -2.60 114.58 117.71 1pk5 h GLU 490 Ca 0.02 -0.06 -0.11 0.00 -1.00 0.00 0.00 59.36 58.21 1pk5 h GLU 490 Cb 0.49 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 1pk5 h GLU 490 CO 0.01 0.44 -0.25 0.78 -1.00 0.00 0.00 179.01 178.99 1pk5 h GLY 491 N 0.95 0.71 0.98 -3.84 0.00 -0.85 -2.83 103.07 98.19 1pk5 h GLY 491 Ca 0.03 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.62 1pk5 h GLY 491 CO 0.04 0.65 0.23 -2.08 0.00 0.00 0.00 176.54 175.38 1pk5 h VAL 492 N 0.39 1.20 -0.80 4.60 2.07 -0.89 -2.24 116.25 120.58 1pk5 h VAL 492 Ca 0.05 -0.60 0.03 0.00 0.82 0.00 0.00 66.70 67.00 1pk5 h VAL 492 Cb 0.81 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 1pk5 h VAL 492 CO 0.06 0.23 0.51 -0.61 0.02 0.00 0.00 177.57 177.79 1pk5 h GLN 493 N 0.70 0.97 -0.24 1.57 4.15 -1.47 0.20 115.11 120.99 1pk5 h GLN 493 Ca 0.18 -0.06 -0.15 0.00 0.77 0.00 0.00 58.65 59.39 1pk5 h GLN 493 Cb 0.15 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1pk5 h GLN 493 CO -0.02 0.64 -0.43 0.93 -1.93 0.00 0.00 178.83 178.02 1pk5 h GLU 494 N 1.00 0.72 -0.10 1.69 5.08 -1.41 -1.44 114.58 120.13 1pk5 h GLU 494 Ca 0.32 -0.45 0.03 0.00 -1.00 0.00 0.00 59.36 58.25 1pk5 h GLU 494 Cb 0.00 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 1pk5 h GLU 494 CO -0.11 1.07 -0.06 0.37 -1.00 0.00 0.00 179.01 179.29 1pk5 h GLN 495 N 0.45 -0.05 -0.79 2.33 5.75 -1.10 0.15 115.11 121.85 1pk5 h GLN 495 Ca 0.01 0.00 -0.05 0.00 -0.15 0.00 0.00 58.65 58.47 1pk5 h GLN 495 Cb 1.03 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.56 1pk5 h GLN 495 CO 0.10 -0.03 0.30 0.28 -2.65 0.00 0.00 178.83 176.83 1pk5 h VAL 496 N -0.05 1.26 0.13 2.39 2.07 -0.95 0.79 116.25 121.90 1pk5 h VAL 496 Ca 0.06 -0.84 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1pk5 h VAL 496 Cb 0.14 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 1pk5 h VAL 496 CO -0.13 0.34 -0.19 0.78 0.02 0.00 0.00 177.57 178.39 1pk5 h ASN 497 N 1.15 -0.51 -0.52 0.57 2.35 -0.76 0.78 115.58 118.64 1pk5 h ASN 497 Ca 0.26 0.06 0.05 0.00 -0.55 0.00 0.00 56.30 56.11 1pk5 h ASN 497 Cb 0.23 0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.75 1pk5 h ASN 497 CO -0.02 -0.27 0.26 0.00 -1.65 0.00 0.00 177.43 175.75 1pk5 h ALA 498 N 0.43 0.66 -0.60 -0.83 0.00 -0.36 -0.40 119.26 118.16 1pk5 h ALA 498 Ca 0.02 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1pk5 h ALA 498 Cb 0.38 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1pk5 h ALA 498 CO -0.08 -0.09 0.32 0.00 0.00 0.00 0.00 179.25 179.40 1pk5 h ALA 499 N 1.28 0.77 -0.68 0.00 0.00 -0.42 -0.98 119.26 119.22 1pk5 h ALA 499 Ca 0.23 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1pk5 h ALA 499 Cb 0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1pk5 h ALA 499 CO -0.16 0.31 0.16 1.25 0.00 0.00 0.00 179.25 180.81 1pk5 h LEU 500 N 0.82 1.04 0.20 0.00 5.85 -0.46 -0.52 115.31 122.24 1pk5 h LEU 500 Ca 0.21 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 1pk5 h LEU 500 Cb 0.07 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.83 1pk5 h LEU 500 CO -0.03 1.01 -0.09 0.25 -0.34 0.00 0.00 178.44 179.23 1pk5 h LEU 501 N 1.03 -0.22 -0.06 2.25 6.46 -0.70 -0.22 115.31 123.84 1pk5 h LEU 501 Ca 0.21 -0.02 0.02 0.00 -0.12 0.00 0.00 57.88 57.98 1pk5 h LEU 501 Cb 0.37 0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 40.34 1pk5 h LEU 501 CO 0.00 -0.13 -0.08 -0.78 -0.62 0.00 0.00 178.44 176.83 1pk5 h ASP 502 N -0.30 -0.26 -0.22 1.25 -0.00 -1.02 -2.87 116.42 113.00 1pk5 h ASP 502 Ca -0.03 0.05 0.05 0.00 -0.00 0.00 0.00 57.03 57.10 1pk5 h ASP 502 Cb 0.23 0.12 -0.05 0.00 -0.00 0.00 0.00 39.33 39.64 1pk5 h ASP 502 CO 0.04 -0.12 -0.09 0.22 -0.00 0.00 0.00 179.24 179.30 1pk5 h TYR 503 N -0.12 -0.20 -0.14 0.28 3.20 -0.91 -2.24 116.97 116.84 1pk5 h TYR 503 Ca 0.05 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.96 1pk5 h TYR 503 Cb 0.19 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1pk5 h TYR 503 CO -0.18 -0.14 0.06 1.15 -1.64 0.00 0.00 178.16 177.41 1pk5 h THR 504 N -0.05 0.99 -0.03 1.81 2.02 -0.94 -1.27 112.91 115.43 1pk5 h THR 504 Ca 0.11 -0.05 -0.21 0.00 0.77 0.00 0.00 66.41 67.04 1pk5 h THR 504 Cb 0.22 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1pk5 h THR 504 CO -0.26 0.03 -0.85 -0.37 0.37 0.00 0.00 175.52 174.44 1pk5 h VAL 505 N 0.14 1.40 -0.77 3.16 -1.51 -1.51 0.20 116.25 117.35 1pk5 h VAL 505 Ca 0.06 -2.33 -0.05 0.00 -1.23 0.00 0.00 66.70 63.14 1pk5 h VAL 505 Cb 0.02 2.29 -0.03 0.00 -2.13 0.00 0.00 31.29 31.43 1pk5 h VAL 505 CO -0.05 0.70 0.28 0.00 -1.23 0.00 0.00 177.57 177.27 1pk5 n ASN 507 N -4.27 0.37 -3.12 0.00 3.02 -0.49 -4.47 115.26 106.31 1pk5 n ASN 507 Ca 0.07 0.15 -0.22 0.00 -0.03 0.00 0.00 54.58 54.55 1pk5 n ASN 507 Cb 0.20 1.12 -0.04 0.00 -0.61 0.00 0.00 39.78 40.45 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 -2.56 1.48 0.17 3.10 4.02 0.69 -4.94 117.16 119.11 1pk5 n TYR 508 Ca -0.09 -3.87 0.05 0.00 -0.01 0.00 0.00 57.90 53.98 1pk5 n TYR 508 Cb 0.71 -0.44 0.49 0.00 -0.02 0.00 0.00 39.34 40.08 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 3.10 0.15 -0.96 -0.72 0.13 -1.41 -2.11 132.00 130.18 1pk5 h PRO 509 Ca 0.11 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 65.11 1pk5 h PRO 509 Cb 0.81 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 31.85 1pk5 h PRO 509 CO 0.61 0.23 0.14 1.04 -0.23 0.00 0.00 178.00 179.78 1pk5 n GLN 510 N -4.38 1.59 -3.79 0.86 1.13 -1.26 -4.25 117.38 107.29 1pk5 n GLN 510 Ca -0.01 -0.89 -0.29 0.00 -1.94 0.00 0.00 57.00 53.87 1pk5 n GLN 510 Cb 0.19 -1.45 -0.13 0.00 0.11 0.00 0.00 30.24 28.96 1pk5 n GLN 510 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 1pk5 s GLN 511 N -1.12 1.74 0.29 -1.09 -0.21 -0.79 -5.00 119.66 113.48 1pk5 s GLN 511 Ca 0.16 -2.54 0.04 0.00 0.02 0.00 0.00 55.36 53.04 1pk5 s GLN 511 Cb 0.14 -2.78 0.70 0.00 1.00 0.00 0.00 33.01 32.07 1pk5 s GLN 511 CO 0.04 -1.21 1.73 1.15 -2.12 0.00 0.00 175.29 174.88 1pk5 h THR 512 N 5.00 0.58 -1.56 -0.19 2.02 -1.83 -3.26 112.91 113.68 1pk5 h THR 512 Ca 0.05 -0.18 -0.43 0.00 0.77 0.00 0.00 66.41 66.62 1pk5 h THR 512 Cb 0.87 -0.00 -0.35 0.00 -1.74 0.00 0.00 68.15 66.92 1pk5 h THR 512 CO 0.59 0.10 -1.05 1.21 0.37 0.00 0.00 175.52 176.73 1pk5 n GLU 513 N -4.93 0.99 -0.08 6.66 4.07 -1.26 -4.83 120.64 121.26 1pk5 n GLU 513 Ca 0.22 -3.10 -0.15 0.00 -0.06 0.00 0.00 57.16 54.07 1pk5 n GLU 513 Cb 0.60 -1.54 -0.05 0.00 -0.06 0.00 0.00 31.44 30.39 1pk5 n GLU 513 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 1pk5 h LYS 514 N 2.99 0.84 0.08 5.31 3.64 -1.92 -2.66 116.57 124.85 1pk5 h LYS 514 Ca 0.05 -0.53 0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1pk5 h LYS 514 Cb 1.01 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 1pk5 h LYS 514 CO 0.43 1.17 -0.26 0.35 -2.27 0.00 0.00 179.45 178.87 1pk5 h PHE 515 N 0.62 -0.69 -0.77 1.91 3.57 -1.88 -0.10 116.94 119.60 1pk5 h PHE 515 Ca 0.01 0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.56 1pk5 h PHE 515 Cb 1.13 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 40.12 1pk5 h PHE 515 CO 0.08 -0.36 0.51 0.78 -2.23 0.00 0.00 178.31 177.08 1pk5 h GLY 516 N -0.44 1.07 1.59 2.40 0.00 -1.91 -1.03 103.07 104.75 1pk5 h GLY 516 Ca 0.04 -0.37 -0.08 0.00 0.00 0.00 0.00 47.33 46.91 1pk5 h GLY 516 CO -0.18 0.33 -0.19 1.46 0.00 0.00 0.00 176.54 177.97 1pk5 h GLN 517 N 0.95 0.48 0.03 4.80 7.50 -1.03 -2.30 115.11 125.54 1pk5 h GLN 517 Ca 0.30 -0.16 -0.00 0.00 0.50 0.00 0.00 58.65 59.29 1pk5 h GLN 517 Cb 0.03 -0.04 0.00 0.00 0.05 0.00 0.00 27.48 27.52 1pk5 h GLN 517 CO -0.09 0.65 -0.01 -0.07 -1.50 0.00 0.00 178.83 177.82 1pk5 h LEU 518 N 0.44 -0.03 -1.67 1.46 3.38 0.25 -3.12 115.31 116.02 1pk5 h LEU 518 Ca 0.07 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 1pk5 h LEU 518 Cb 0.58 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1pk5 h LEU 518 CO 0.04 0.23 -0.18 -0.07 0.09 0.00 0.00 178.44 178.55 1pk5 h LEU 519 N -0.29 0.00 -0.78 1.67 3.38 -1.28 -2.37 115.31 115.64 1pk5 h LEU 519 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pk5 h LEU 519 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1pk5 h LEU 519 CO 0.01 0.18 0.00 -0.07 0.09 0.00 0.00 178.44 178.65 1pk5 h LEU 520 N 0.00 0.00 -0.00 1.67 4.07 -1.36 -2.77 115.31 116.92 1pk5 h LEU 520 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1pk5 h LEU 520 Cb 0.45 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.19 1pk5 h LEU 520 CO 0.02 0.00 0.00 0.54 -1.08 0.00 0.00 178.44 177.92 1pk5 n ARG 521 N -2.86 0.17 -0.19 1.13 3.00 -0.89 -3.54 116.66 113.49 1pk5 n ARG 521 Ca 0.02 0.14 -0.09 0.00 -0.01 0.00 0.00 57.85 57.92 1pk5 n ARG 521 Cb 0.37 -1.70 0.01 0.00 0.00 0.00 0.00 32.46 31.14 1pk5 n ARG 521 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 1pk5 h LEU 522 N 0.00 0.87 -0.74 0.55 3.38 -1.59 -1.68 115.31 116.10 1pk5 h LEU 522 Ca 0.00 -0.28 -0.11 0.00 0.09 0.00 0.00 57.88 57.58 1pk5 h LEU 522 Cb 0.66 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1pk5 h LEU 522 CO 0.00 0.93 -0.24 -0.65 0.09 0.00 0.00 178.44 178.57 1pk5 h PRO 523 N 0.78 0.70 -0.07 1.13 0.11 -1.74 -1.91 132.00 130.99 1pk5 h PRO 523 Ca 0.16 -0.28 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 1pk5 h PRO 523 Cb 0.44 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 1pk5 h PRO 523 CO 0.02 0.87 0.03 0.93 -0.21 0.00 0.00 178.00 179.64 1pk5 h GLU 524 N 0.61 0.11 -0.55 1.05 5.08 -1.65 -1.20 114.58 118.03 1pk5 h GLU 524 Ca 0.08 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1pk5 h GLU 524 Cb 0.73 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 1pk5 h GLU 524 CO 0.06 0.26 0.36 1.25 -1.00 0.00 0.00 179.01 179.94 1pk5 h LEU 525 N -0.06 0.53 -0.59 1.33 5.85 -1.25 -0.61 115.31 120.51 1pk5 h LEU 525 Ca 0.02 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.68 1pk5 h LEU 525 Cb 0.19 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 1pk5 h LEU 525 CO -0.00 0.36 0.15 -0.09 -0.34 0.00 0.00 178.44 178.52 1pk5 h ARG 526 N 0.62 0.94 -0.32 1.25 9.65 -0.83 -0.69 114.38 125.00 1pk5 h ARG 526 Ca 0.22 -0.22 -0.11 0.00 -1.10 0.00 0.00 59.98 58.77 1pk5 h ARG 526 Cb 0.12 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.57 1pk5 h ARG 526 CO -0.06 0.87 -0.21 0.00 2.80 0.00 0.00 179.97 183.36 1pk5 h ALA 527 N 1.04 0.46 -0.58 2.80 0.00 -0.04 -2.56 119.26 120.38 1pk5 h ALA 527 Ca 0.19 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1pk5 h ALA 527 Cb 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1pk5 h ALA 527 CO 0.00 0.41 0.11 0.82 0.00 0.00 0.00 179.25 180.59 1pk5 h ILE 528 N 0.47 1.25 -0.17 0.00 2.04 -1.09 -2.82 117.51 117.19 1pk5 h ILE 528 Ca 0.06 -0.96 -0.05 0.00 1.00 0.00 0.00 64.86 64.92 1pk5 h ILE 528 Cb 0.77 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1pk5 h ILE 528 CO 0.06 0.35 -0.11 0.77 0.00 0.00 0.00 178.15 179.22 1pk5 h SER 529 N 0.85 0.26 0.06 1.72 4.64 -1.06 -0.73 113.55 119.29 1pk5 h SER 529 Ca 0.18 -0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.29 1pk5 h SER 529 Cb 0.40 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1pk5 h SER 529 CO 0.01 0.40 -0.55 0.50 -0.87 0.00 0.00 176.83 176.31 1pk5 h LYS 530 N 0.26 0.52 0.00 4.77 3.11 -1.22 -2.37 116.57 121.64 1pk5 h LYS 530 Ca 0.05 -0.33 0.00 0.00 -2.81 0.00 0.00 60.65 57.56 1pk5 h LYS 530 Cb 0.35 0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1pk5 h LYS 530 CO 0.02 0.94 -0.57 0.00 -2.81 0.00 0.00 179.45 177.03 1pk5 n GLN 531 N -3.95 0.24 0.11 1.90 10.64 -1.01 -2.40 117.38 122.90 1pk5 n GLN 531 Ca -0.03 0.07 -0.01 0.00 -1.83 0.00 0.00 57.00 55.20 1pk5 n GLN 531 Cb 0.60 -1.66 -0.03 0.00 -0.86 0.00 0.00 30.24 28.30 1pk5 n GLN 531 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1pk5 h ALA 532 N 2.60 0.55 -0.08 2.61 0.00 -1.07 -2.31 119.26 121.57 1pk5 h ALA 532 Ca 0.00 -0.63 -0.16 0.00 0.00 0.00 0.00 54.91 54.12 1pk5 h ALA 532 Cb 0.70 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1pk5 h ALA 532 CO 0.00 0.86 -0.58 0.93 0.00 0.00 0.00 179.25 180.47 1pk5 h GLU 533 N 0.00 0.52 -0.21 0.00 5.08 -1.34 -2.32 114.58 116.31 1pk5 h GLU 533 Ca -0.01 -0.46 0.01 0.00 -1.00 0.00 0.00 59.36 57.90 1pk5 h GLU 533 Cb 1.53 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.87 1pk5 h GLU 533 CO 0.09 1.09 0.10 -0.44 -1.00 0.00 0.00 179.01 178.85 1pk5 h ASP 534 N 0.11 0.14 0.26 1.42 5.19 -1.48 0.28 116.42 122.34 1pk5 h ASP 534 Ca -0.05 0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.38 1pk5 h ASP 534 Cb 1.24 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 40.70 1pk5 h ASP 534 CO 0.12 0.11 -0.40 0.22 -3.12 0.00 0.00 179.24 176.17 1pk5 h TYR 535 N 0.21 -1.11 -0.31 4.55 3.20 -1.43 -1.98 116.97 120.11 1pk5 h TYR 535 Ca 0.09 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.00 1pk5 h TYR 535 Cb 0.03 0.45 -0.02 0.00 1.54 0.00 0.00 36.73 38.72 1pk5 h TYR 535 CO -0.10 -0.53 0.15 1.25 -1.64 0.00 0.00 178.16 177.30 1pk5 h LEU 536 N -0.73 0.23 -0.45 2.82 5.85 -1.26 -1.87 115.31 119.90 1pk5 h LEU 536 Ca -0.01 0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.82 1pk5 h LEU 536 Cb 0.70 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.61 1pk5 h LEU 536 CO -0.15 0.17 -0.08 0.22 -0.34 0.00 0.00 178.44 178.26 1pk5 h TYR 537 N 0.32 -0.19 -0.07 1.25 3.20 -0.71 0.85 116.97 121.62 1pk5 h TYR 537 Ca 0.13 0.04 -0.16 0.00 3.14 0.00 0.00 58.73 61.87 1pk5 h TYR 537 Cb 0.04 0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1pk5 h TYR 537 CO -0.10 -0.17 -0.67 1.88 -1.64 0.00 0.00 178.16 177.46 1pk5 h TYR 538 N 0.03 0.39 -0.47 -3.82 -1.99 -1.24 -0.88 116.97 108.98 1pk5 h TYR 538 Ca 0.22 -0.16 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 1pk5 h TYR 538 Cb 0.33 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 38.98 1pk5 h TYR 538 CO -0.37 0.87 0.22 0.87 -0.00 0.00 0.00 178.16 179.75 1pk5 h LYS 539 N 0.21 0.66 0.43 4.88 6.56 -0.69 0.86 116.57 129.48 1pk5 h LYS 539 Ca -0.02 -0.08 -0.02 0.00 -1.06 0.00 0.00 60.65 59.47 1pk5 h LYS 539 Cb 1.21 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.74 1pk5 h LYS 539 CO 0.11 0.52 -0.21 1.25 -2.06 0.00 0.00 179.45 179.06 1pk5 h HIS 540 N 0.66 -0.54 -1.03 -1.35 2.76 -0.37 -0.79 115.15 114.49 1pk5 h HIS 540 Ca 0.17 -0.01 0.26 0.00 -2.20 0.00 0.00 60.37 58.58 1pk5 h HIS 540 Cb 0.08 0.18 -0.10 0.00 1.55 0.00 0.00 27.41 29.12 1pk5 h HIS 540 CO 0.01 -0.22 0.64 0.28 -1.30 0.00 0.00 177.93 177.34 1pk5 h VAL 541 N -0.97 0.53 0.00 5.26 2.07 -0.70 0.47 116.25 122.91 1pk5 h VAL 541 Ca -0.06 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1pk5 h VAL 541 Cb 0.57 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.36 1pk5 h VAL 541 CO 0.10 0.09 0.00 0.59 0.02 0.00 0.00 177.57 178.36 1pk5 n ASN 542 N -4.72 0.00 0.00 0.57 3.02 0.25 -4.87 115.26 109.52 1pk5 n ASN 542 Ca 0.26 -1.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.19 1pk5 n ASN 542 Cb 0.83 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.00 1pk5 n ASN 542 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pk5 n GLY 543 N 0.53 0.90 0.20 7.41 0.00 0.16 -4.93 105.19 109.47 1pk5 n GLY 543 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.00 0.59 0.00 1.61 9.92 -0.31 -4.53 116.55 123.82 1pk5 n ASP 544 Ca 0.00 -1.99 0.00 0.00 -0.53 0.00 0.00 54.79 52.27 1pk5 n ASP 544 Cb 0.00 -0.07 0.00 0.00 -0.64 0.00 0.00 41.12 40.41 1pk5 n ASP 544 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1pk5 n VAL 545 N -0.18 0.00 -1.74 2.53 0.31 -1.24 -4.82 118.33 113.19 1pk5 n VAL 545 Ca 0.04 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.94 1pk5 n VAL 545 Cb 0.09 -0.62 -0.03 0.00 -0.91 0.00 0.00 33.84 32.37 1pk5 n VAL 545 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1pk5 s PRO 546 N -1.91 3.24 0.00 5.55 0.04 -1.26 -4.72 135.00 135.93 1pk5 s PRO 546 Ca 0.00 1.86 0.00 0.00 0.04 0.00 0.00 61.00 62.90 1pk5 s PRO 546 Cb 0.00 -4.31 0.00 0.00 0.04 0.00 0.00 34.50 30.23 1pk5 s PRO 546 CO 0.00 -1.98 0.45 0.98 0.04 0.00 0.00 177.00 176.49 1pk5 n TYR 547 N 11.06 0.00 -3.15 0.56 9.36 -1.26 -5.14 117.16 128.59 1pk5 n TYR 547 Ca 0.27 -0.08 -0.00 0.00 3.32 0.00 0.00 57.90 61.41 1pk5 n TYR 547 Cb 0.45 0.27 0.00 0.00 -0.63 0.00 0.00 39.34 39.43 1pk5 n TYR 547 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 1pk5 n ASN 548 N 0.00 -0.09 0.02 2.98 0.23 -1.26 -5.05 115.26 112.10 1pk5 n ASN 548 Ca -0.04 -1.07 0.00 0.00 -0.53 0.00 0.00 54.58 52.94 1pk5 n ASN 548 Cb 0.42 0.15 0.00 0.00 -2.08 0.00 0.00 39.78 38.27 1pk5 n ASN 548 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1pk5 n ASN 549 N -1.25 0.42 0.06 0.53 0.23 -1.26 -4.86 115.26 109.13 1pk5 n ASN 549 Ca -0.00 0.07 -0.13 0.00 -0.53 0.00 0.00 54.58 53.99 1pk5 n ASN 549 Cb 0.03 -0.12 -0.08 0.00 -2.08 0.00 0.00 39.78 37.52 1pk5 n ASN 549 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1pk5 h LEU 550 N 0.00 -0.11 -0.22 -4.53 5.85 -2.00 -3.08 115.31 111.23 1pk5 h LEU 550 Ca 0.00 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.58 1pk5 h LEU 550 Cb 0.54 0.03 -0.07 0.00 0.37 0.00 0.00 40.66 41.53 1pk5 h LEU 550 CO 0.00 0.14 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.90 1pk5 h LEU 551 N -0.36 -0.88 -0.99 2.25 3.38 -1.91 -2.17 115.31 114.64 1pk5 h LEU 551 Ca -0.01 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 1pk5 h LEU 551 Cb 0.30 0.40 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 1pk5 h LEU 551 CO 0.02 -0.31 -0.33 0.40 0.09 0.00 0.00 178.44 178.31 1pk5 h ILE 552 N -0.30 0.78 -0.23 1.22 5.03 -1.90 -2.34 117.51 119.78 1pk5 h ILE 552 Ca 0.13 -1.39 -0.11 0.00 -0.12 0.00 0.00 64.86 63.37 1pk5 h ILE 552 Cb 0.50 1.87 -0.00 0.00 -3.03 0.00 0.00 36.82 36.16 1pk5 h ILE 552 CO -0.39 0.32 -0.29 -0.33 -0.68 0.00 0.00 178.15 176.78 1pk5 h GLU 553 N 0.00 0.60 -0.14 2.37 5.08 -1.38 -3.01 114.58 118.09 1pk5 h GLU 553 Ca -0.00 -0.34 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 1pk5 h GLU 553 Cb 0.85 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 1pk5 h GLU 553 CO 0.04 0.94 -0.19 0.52 -1.00 0.00 0.00 179.01 179.32 1pk5 h MET 554 N 0.29 0.24 -0.23 2.33 2.86 -1.32 -2.02 114.93 117.07 1pk5 h MET 554 Ca 0.03 -0.07 0.07 0.00 -2.06 0.00 0.00 59.70 57.67 1pk5 h MET 554 Cb 0.87 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.49 1pk5 h MET 554 CO 0.07 0.43 0.18 -0.07 1.06 0.00 0.00 176.91 178.57 1pk5 h LEU 555 N 0.22 0.00 -2.04 1.22 4.07 -1.28 -2.67 115.31 114.82 1pk5 h LEU 555 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 1pk5 h LEU 555 Cb 0.47 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.21 1pk5 h LEU 555 CO 0.03 0.00 0.00 1.41 -1.08 0.00 0.00 178.44 178.80 1pk5 n HIS 556 N -4.35 0.89 0.13 1.13 8.25 -0.76 -3.30 115.22 117.21 1pk5 n HIS 556 Ca 0.03 -0.32 -0.06 0.00 -0.26 0.00 0.00 57.72 57.11 1pk5 n HIS 556 Cb 0.32 -0.24 -0.03 0.00 1.12 0.00 0.00 29.99 31.16 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 3.06 -0.57 0.69 -1.41 0.00 -1.65 -3.34 119.26 116.03 1pk5 h ALA 557 Ca 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1pk5 h ALA 557 Cb 1.07 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1pk5 h ALA 557 CO 0.19 -0.54 -0.41 0.87 0.00 0.00 0.00 179.25 179.36 1pk5 h LYS 558 N -0.69 -0.99 0.00 0.00 1.79 -1.81 -3.53 116.57 111.34 1pk5 h LYS 558 Ca -0.04 0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.50 1pk5 h LYS 558 Cb 0.29 0.22 0.00 0.00 -1.58 0.00 0.00 32.23 31.16 1pk5 h LYS 558 CO 0.06 -0.66 0.00 0.54 -1.08 0.00 0.00 179.45 178.31