#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1iw0 h LEU 308 N 0.00 0.99 -0.74 0.99 5.85 -1.87 -1.28 115.31 119.25 1iw0 h LEU 308 Ca 0.00 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1iw0 h LEU 308 Cb 0.00 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 1iw0 h LEU 308 CO 0.00 0.62 0.49 0.00 -0.34 0.00 0.00 178.44 179.21 1iw0 h ALA 309 N 1.48 0.94 -0.27 1.25 0.00 -1.86 0.32 119.26 121.13 1iw0 h ALA 309 Ca 0.43 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.13 1iw0 h ALA 309 Cb 0.21 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1iw0 h ALA 309 CO -0.17 0.36 -0.45 0.28 0.00 0.00 0.00 179.25 179.27 1iw0 h VAL 310 N 1.01 1.29 -0.54 0.00 2.07 -1.86 -2.50 116.25 115.72 1iw0 h VAL 310 Ca 0.27 -1.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.10 1iw0 h VAL 310 Cb -0.12 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1iw0 h VAL 310 CO -0.06 0.53 0.11 -0.08 0.02 0.00 0.00 177.57 178.09 1iw0 h GLU 311 N 0.53 0.83 -0.25 1.57 4.81 -0.98 0.19 114.58 121.28 1iw0 h GLU 311 Ca 0.02 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.07 1iw0 h GLU 311 Cb 1.05 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 1iw0 h GLU 311 CO 0.10 0.76 0.13 -0.07 -0.73 0.00 0.00 179.01 179.20 1iw0 h LEU 312 N 0.80 0.31 -0.25 1.64 3.38 -0.89 -0.47 115.31 119.83 1iw0 h LEU 312 Ca 0.17 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1iw0 h LEU 312 Cb 0.32 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1iw0 h LEU 312 CO 0.00 0.32 0.11 0.50 0.09 0.00 0.00 178.44 179.47 1iw0 h LYS 313 N 0.28 0.36 -0.29 1.13 3.64 -1.10 -2.60 116.57 118.00 1iw0 h LYS 313 Ca 0.09 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 1iw0 h LYS 313 Cb 0.08 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1iw0 h LYS 313 CO -0.01 0.38 -0.42 1.96 -2.27 0.00 0.00 179.45 179.08 1iw0 h GLN 314 N 0.26 0.71 0.00 1.90 4.20 -0.89 -1.80 115.11 119.49 1iw0 h GLN 314 Ca 0.08 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.41 1iw0 h GLN 314 Cb 0.14 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.94 1iw0 h GLN 314 CO -0.01 1.00 0.00 0.66 -0.67 0.00 0.00 178.83 179.81 1iw0 h SER 315 N 0.58 0.00 -0.23 1.46 4.64 -1.04 -3.06 113.55 115.89 1iw0 h SER 315 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1iw0 h SER 315 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 1iw0 h SER 315 CO 0.09 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.40 1iw0 n THR 316 N -3.00 0.63 -0.27 2.95 -2.24 -0.99 -4.70 114.28 106.66 1iw0 n THR 316 Ca 0.02 -0.81 -0.06 0.00 -2.27 0.00 0.00 64.05 60.93 1iw0 n THR 316 Cb 0.37 0.77 0.06 0.00 -2.10 0.00 0.00 70.33 69.43 1iw0 n THR 316 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1iw0 h ALA 317 N 2.14 0.96 -0.61 6.98 0.00 -1.22 0.42 119.26 127.94 1iw0 h ALA 317 Ca 0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1iw0 h ALA 317 Cb 0.64 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1iw0 h ALA 317 CO 0.00 0.51 0.02 0.37 0.00 0.00 0.00 179.25 180.15 1iw0 h GLN 318 N 1.04 1.05 -0.46 0.00 4.15 -1.84 -1.88 115.11 117.17 1iw0 h GLN 318 Ca 0.26 -0.32 -0.11 0.00 0.77 0.00 0.00 58.65 59.25 1iw0 h GLN 318 Cb 0.09 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 1iw0 h GLN 318 CO -0.04 1.02 -0.14 0.00 -1.93 0.00 0.00 178.83 177.74 1iw0 h ALA 319 N 0.99 0.88 -0.32 3.38 0.00 -1.74 -1.33 119.26 121.12 1iw0 h ALA 319 Ca 0.17 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1iw0 h ALA 319 Cb 0.53 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1iw0 h ALA 319 CO 0.03 0.63 0.19 1.25 0.00 0.00 0.00 179.25 181.35 1iw0 h HIS 320 N 0.77 0.35 -0.71 0.00 -0.00 -0.65 -1.04 115.15 113.86 1iw0 h HIS 320 Ca 0.12 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.51 1iw0 h HIS 320 Cb 0.66 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.92 1iw0 h HIS 320 CO 0.04 0.20 0.47 0.93 -0.00 0.00 0.00 177.93 179.57 1iw0 h GLU 321 N 0.38 0.92 -0.20 5.26 5.08 -1.08 -0.89 114.58 124.05 1iw0 h GLU 321 Ca 0.13 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.34 1iw0 h GLU 321 Cb 0.00 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1iw0 h GLU 321 CO -0.06 0.61 -0.29 0.87 -1.00 0.00 0.00 179.01 179.14 1iw0 h LYS 322 N 0.95 0.39 -0.08 2.33 1.79 -0.91 -1.30 116.57 119.73 1iw0 h LYS 322 Ca 0.26 -0.15 -0.05 0.00 -2.18 0.00 0.00 60.65 58.53 1iw0 h LYS 322 Cb -0.09 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 1iw0 h LYS 322 CO -0.06 0.64 -0.16 0.00 -1.08 0.00 0.00 179.45 178.79 1iw0 h ALA 323 N 1.36 0.13 -0.66 3.86 0.00 -0.82 -1.76 119.26 121.37 1iw0 h ALA 323 Ca 0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1iw0 h ALA 323 Cb 0.68 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1iw0 h ALA 323 CO 0.05 0.04 0.35 1.49 0.00 0.00 0.00 179.25 181.18 1iw0 h GLU 324 N -0.21 0.91 -0.64 0.00 4.81 -1.01 -2.41 114.58 116.03 1iw0 h GLU 324 Ca 0.00 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1iw0 h GLU 324 Cb 0.73 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1iw0 h GLU 324 CO 0.04 0.67 0.00 0.72 -0.73 0.00 0.00 179.01 179.71 1iw0 n HIS 325 N -4.37 1.28 -1.31 0.92 8.25 -0.51 -3.76 115.22 115.72 1iw0 n HIS 325 Ca 0.06 -0.52 -0.35 0.00 -0.26 0.00 0.00 57.72 56.66 1iw0 n HIS 325 Cb 0.10 -0.21 0.11 0.00 1.12 0.00 0.00 29.99 31.11 1iw0 n HIS 325 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1iw0 n SER 326 N 1.00 1.19 -0.18 0.41 3.41 -0.67 -4.71 113.62 114.07 1iw0 n SER 326 Ca 0.23 0.66 -0.04 0.00 -0.26 0.00 0.00 58.87 59.45 1iw0 n SER 326 Cb 0.78 -1.50 0.06 0.00 -0.26 0.00 0.00 64.21 63.28 1iw0 n SER 326 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1iw0 h THR 327 N -0.43 0.98 -0.12 6.66 2.02 -1.90 -0.02 112.91 120.11 1iw0 h THR 327 Ca -0.48 -0.19 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 1iw0 h THR 327 Cb 1.32 0.38 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 1iw0 h THR 327 CO 0.48 0.10 0.03 0.15 0.37 0.00 0.00 175.52 176.65 1iw0 h PHE 328 N 0.56 0.20 -0.09 3.16 3.57 -1.91 -0.85 116.94 121.59 1iw0 h PHE 328 Ca 0.23 -0.02 -0.17 0.00 3.53 0.00 0.00 57.97 61.53 1iw0 h PHE 328 Cb 0.11 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1iw0 h PHE 328 CO -0.09 0.35 -0.69 1.98 -2.23 0.00 0.00 178.31 177.64 1iw0 h MET 329 N -0.00 0.39 0.29 1.11 4.05 -1.81 0.51 114.93 119.46 1iw0 h MET 329 Ca 0.04 -0.30 -0.00 0.00 -0.28 0.00 0.00 59.70 59.16 1iw0 h MET 329 Cb 0.25 0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1iw0 h MET 329 CO 0.00 0.93 -0.22 0.77 0.23 0.00 0.00 176.91 178.62 1iw0 h SER 330 N 0.27 -0.56 -0.64 1.39 0.02 -0.95 0.62 113.55 113.71 1iw0 h SER 330 Ca -0.02 0.04 0.05 0.00 -0.84 0.00 0.00 61.79 61.02 1iw0 h SER 330 Cb 1.25 0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.91 1iw0 h SER 330 CO 0.12 -0.33 0.35 0.44 -1.14 0.00 0.00 176.83 176.27 1iw0 h ASP 331 N -0.51 0.53 -0.07 3.07 3.32 -0.99 -0.86 116.42 120.91 1iw0 h ASP 331 Ca -0.02 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1iw0 h ASP 331 Cb 0.44 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1iw0 h ASP 331 CO -0.00 0.35 0.02 0.25 -1.72 0.00 0.00 179.24 178.13 1iw0 h LEU 332 N 0.66 0.10 -1.37 1.55 5.85 -0.56 -0.65 115.31 120.89 1iw0 h LEU 332 Ca 0.28 -0.23 -0.02 0.00 0.84 0.00 0.00 57.88 58.75 1iw0 h LEU 332 Cb 0.16 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1iw0 h LEU 332 CO -0.17 0.30 -0.10 -0.07 -0.34 0.00 0.00 178.44 178.06 1iw0 h LEU 333 N -0.11 0.00 -1.65 2.25 3.38 -0.75 -2.29 115.31 116.14 1iw0 h LEU 333 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1iw0 h LEU 333 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1iw0 h LEU 333 CO 0.00 0.10 0.00 0.29 0.09 0.00 0.00 178.44 178.92 1iw0 n LYS 334 N -3.26 2.05 -1.09 1.13 5.02 -0.34 -4.93 118.16 116.75 1iw0 n LYS 334 Ca 0.00 -1.62 -0.03 0.00 -2.02 0.00 0.00 58.31 54.64 1iw0 n LYS 334 Cb 0.35 -1.40 -0.01 0.00 -0.02 0.00 0.00 35.03 33.95 1iw0 n LYS 334 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1iw0 n GLY 335 N 1.26 0.62 0.03 0.72 0.00 -0.86 -4.93 105.19 102.03 1iw0 n GLY 335 Ca 0.16 -0.82 0.13 0.00 0.00 0.00 0.00 46.02 45.50 1iw0 n GLY 335 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1iw0 n ARG 336 N -2.84 0.11 0.00 1.61 1.74 -0.27 -4.82 116.66 112.19 1iw0 n ARG 336 Ca -0.03 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1iw0 n ARG 336 Cb 0.11 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 1iw0 n ARG 336 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1iw0 n LEU 337 N -1.77 0.00 0.00 0.55 4.77 -1.23 -4.99 117.00 114.33 1iw0 n LEU 337 Ca 0.06 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1iw0 n LEU 337 Cb 0.38 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.49 1iw0 n LEU 337 CO 0.32 0.00 0.77 0.61 -1.33 0.00 0.00 177.39 177.76 1iw0 n GLY 338 N 5.00 0.63 0.31 -0.72 0.00 -1.26 -5.01 105.19 104.14 1iw0 n GLY 338 Ca 0.00 -1.14 0.11 0.00 0.00 0.00 0.00 46.02 44.99 1iw0 n GLY 338 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1iw0 h VAL 339 N 1.94 0.94 -0.27 1.61 2.07 -1.98 -2.39 116.25 118.17 1iw0 h VAL 339 Ca -0.26 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.21 1iw0 h VAL 339 Cb 1.14 0.77 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1iw0 h VAL 339 CO 0.35 0.03 0.18 0.00 0.02 0.00 0.00 177.57 178.14 1iw0 h ALA 340 N 1.85 0.35 -0.34 1.67 0.00 -1.97 0.33 119.26 121.14 1iw0 h ALA 340 Ca 0.13 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1iw0 h ALA 340 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1iw0 h ALA 340 CO -0.02 -0.17 -0.27 0.93 0.00 0.00 0.00 179.25 179.72 1iw0 h GLU 341 N 0.36 0.70 -0.53 0.00 3.07 -1.85 -1.04 114.58 115.30 1iw0 h GLU 341 Ca 0.10 -0.30 -0.01 0.00 -0.50 0.00 0.00 59.36 58.65 1iw0 h GLU 341 Cb -0.03 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.83 1iw0 h GLU 341 CO -0.02 0.90 0.31 0.35 -1.40 0.00 0.00 179.01 179.14 1iw0 h PHE 342 N 0.61 0.71 -0.71 4.33 3.57 -1.10 -1.85 116.94 122.50 1iw0 h PHE 342 Ca 0.08 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1iw0 h PHE 342 Cb 0.77 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1iw0 h PHE 342 CO 0.04 0.50 0.39 1.15 -2.23 0.00 0.00 178.31 178.17 1iw0 h THR 343 N 0.71 1.21 -0.85 4.41 2.02 -0.64 -1.26 112.91 118.51 1iw0 h THR 343 Ca 0.19 -0.53 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1iw0 h THR 343 Cb 0.01 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 66.66 1iw0 h THR 343 CO -0.03 0.23 0.47 0.03 0.37 0.00 0.00 175.52 176.59 1iw0 h ARG 344 N 0.97 1.19 -0.43 6.66 3.08 -0.92 -0.18 114.38 124.75 1iw0 h ARG 344 Ca 0.25 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1iw0 h ARG 344 Cb 0.02 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 1iw0 h ARG 344 CO -0.04 0.87 0.28 1.25 -1.07 0.00 0.00 179.97 181.26 1iw0 h LEU 345 N 1.19 0.49 -1.04 3.04 5.85 -0.59 -1.97 115.31 122.28 1iw0 h LEU 345 Ca 0.30 -0.01 -0.10 0.00 0.84 0.00 0.00 57.88 58.91 1iw0 h LEU 345 Cb 0.03 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 1iw0 h LEU 345 CO -0.05 0.35 -0.46 1.56 -0.34 0.00 0.00 178.44 179.50 1iw0 h GLN 346 N 0.57 0.05 -0.22 1.25 1.08 -0.66 -0.76 115.11 116.42 1iw0 h GLN 346 Ca 0.16 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.33 1iw0 h GLN 346 Cb -0.06 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 1iw0 h GLN 346 CO -0.04 0.50 0.11 0.93 -0.95 0.00 0.00 178.83 179.39 1iw0 h GLU 347 N 0.04 0.32 -0.65 1.46 5.08 -0.70 -0.58 114.58 119.55 1iw0 h GLU 347 Ca -0.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1iw0 h GLU 347 Cb 0.83 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 1iw0 h GLU 347 CO 0.06 0.32 0.28 1.96 -1.00 0.00 0.00 179.01 180.63 1iw0 h GLN 348 N 0.24 0.96 -0.74 2.33 1.08 -1.08 -2.58 115.11 115.32 1iw0 h GLN 348 Ca 0.08 -0.16 -0.00 0.00 -1.45 0.00 0.00 58.65 57.12 1iw0 h GLN 348 Cb 0.10 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.33 1iw0 h GLN 348 CO -0.01 0.79 0.46 0.00 -0.95 0.00 0.00 178.83 179.11 1iw0 h ALA 349 N 1.12 1.42 -0.70 3.87 0.00 -0.96 -1.57 119.26 122.43 1iw0 h ALA 349 Ca 0.22 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1iw0 h ALA 349 Cb 0.17 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1iw0 h ALA 349 CO -0.02 0.51 0.42 2.35 0.00 0.00 0.00 179.25 182.51 1iw0 h TRP 350 N 1.01 0.77 -0.23 0.00 7.01 -0.72 0.34 115.95 124.14 1iw0 h TRP 350 Ca 0.27 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.28 1iw0 h TRP 350 Cb -0.06 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 26.74 1iw0 h TRP 350 CO 0.00 0.40 0.09 -0.07 -2.79 0.00 0.00 178.44 176.08 1iw0 h LEU 351 N 0.79 0.31 -0.16 0.65 3.38 -1.07 -0.91 115.31 118.30 1iw0 h LEU 351 Ca 0.30 -0.17 -0.20 0.00 0.09 0.00 0.00 57.88 57.90 1iw0 h LEU 351 Cb 0.11 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1iw0 h LEU 351 CO -0.15 0.40 -0.94 2.19 0.09 0.00 0.00 178.44 180.03 1iw0 h PHE 352 N 0.21 0.10 -0.22 1.13 -5.15 -1.04 -2.91 116.94 109.06 1iw0 h PHE 352 Ca 0.08 -0.06 -0.11 0.00 -0.20 0.00 0.00 57.97 57.67 1iw0 h PHE 352 Cb 0.18 -0.01 -0.01 0.00 0.22 0.00 0.00 35.95 36.33 1iw0 h PHE 352 CO -0.01 0.96 -0.34 1.88 -2.00 0.00 0.00 178.31 178.80 1iw0 h TYR 353 N 0.03 0.53 -0.19 6.09 0.05 -0.33 0.12 116.97 123.26 1iw0 h TYR 353 Ca -0.03 -0.13 0.03 0.00 0.05 0.00 0.00 58.73 58.64 1iw0 h TYR 353 Cb 1.63 -0.12 -0.03 0.00 1.01 0.00 0.00 36.73 39.23 1iw0 h TYR 353 CO 0.01 0.75 0.02 1.15 -1.05 0.00 0.00 178.16 179.04 1iw0 h THR 354 N 0.39 0.90 -0.54 -2.88 2.02 -1.12 -0.34 112.91 111.34 1iw0 h THR 354 Ca 0.04 -0.03 -0.08 0.00 0.77 0.00 0.00 66.41 67.11 1iw0 h THR 354 Cb 0.79 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.98 1iw0 h THR 354 CO 0.06 0.02 0.01 0.00 0.37 0.00 0.00 175.52 175.98 1iw0 h ALA 355 N 1.15 0.72 -0.45 6.16 0.00 -1.30 -2.41 119.26 123.12 1iw0 h ALA 355 Ca 0.09 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.74 1iw0 h ALA 355 Cb 0.09 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1iw0 h ALA 355 CO -0.13 0.54 0.24 1.25 0.00 0.00 0.00 179.25 181.15 1iw0 h LEU 356 N 0.82 0.37 -1.07 0.00 5.85 -0.56 -1.96 115.31 118.76 1iw0 h LEU 356 Ca 0.15 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 1iw0 h LEU 356 Cb 0.52 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 1iw0 h LEU 356 CO 0.03 0.26 -0.39 -0.33 -0.34 0.00 0.00 178.44 177.67 1iw0 h GLU 357 N 0.49 0.00 -0.47 1.25 5.08 -0.93 0.86 114.58 120.86 1iw0 h GLU 357 Ca 0.19 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.42 1iw0 h GLU 357 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1iw0 h GLU 357 CO -0.11 0.39 -0.23 1.96 -1.00 0.00 0.00 179.01 180.02 1iw0 h GLN 358 N 0.00 0.97 -0.45 2.33 4.20 -1.01 -0.48 115.11 120.66 1iw0 h GLN 358 Ca -0.00 -0.42 -0.05 0.00 0.06 0.00 0.00 58.65 58.24 1iw0 h GLN 358 Cb 0.82 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.56 1iw0 h GLN 358 CO 0.05 1.08 0.07 0.00 -0.67 0.00 0.00 178.83 179.37 1iw0 h ALA 359 N 0.90 0.60 -0.28 3.87 0.00 -0.61 -2.00 119.26 121.74 1iw0 h ALA 359 Ca 0.11 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1iw0 h ALA 359 Cb 0.80 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1iw0 h ALA 359 CO 0.07 0.32 0.13 0.28 0.00 0.00 0.00 179.25 180.05 1iw0 h VAL 360 N 0.61 0.97 -0.93 0.00 2.07 -0.71 -1.06 116.25 117.20 1iw0 h VAL 360 Ca 0.14 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1iw0 h VAL 360 Cb 0.38 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1iw0 h VAL 360 CO 0.01 0.05 0.61 0.44 0.02 0.00 0.00 177.57 178.69 1iw0 h ASP 361 N 0.27 1.03 -0.37 0.57 3.32 -0.95 0.88 116.42 121.17 1iw0 h ASP 361 Ca 0.12 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.13 1iw0 h ASP 361 Cb 0.05 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 1iw0 h ASP 361 CO -0.09 0.72 0.13 0.00 -1.72 0.00 0.00 179.24 178.28 1iw0 h ALA 362 N 1.37 0.48 -0.51 3.45 0.00 -0.94 -1.70 119.26 121.40 1iw0 h ALA 362 Ca 0.36 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.02 1iw0 h ALA 362 Cb -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1iw0 h ALA 362 CO -0.10 0.10 -0.05 0.28 0.00 0.00 0.00 179.25 179.48 1iw0 h VAL 363 N 0.44 1.27 -0.87 0.00 2.07 -0.78 -2.35 116.25 116.03 1iw0 h VAL 363 Ca 0.12 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 1iw0 h VAL 363 Cb 0.22 0.99 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 1iw0 h VAL 363 CO -0.01 0.41 0.54 -0.09 0.02 0.00 0.00 177.57 178.44 1iw0 h ARG 364 N 0.80 1.17 0.00 1.57 2.43 -0.76 -1.56 114.38 118.03 1iw0 h ARG 364 Ca 0.14 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1iw0 h ARG 364 Cb 0.59 -0.25 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 1iw0 h ARG 364 CO 0.04 0.81 -0.08 0.00 -1.51 0.00 0.00 179.97 179.22 1iw0 h ALA 365 N 1.29 1.48 -0.00 2.80 0.00 -0.91 -0.22 119.26 123.71 1iw0 h ALA 365 Ca 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1iw0 h ALA 365 Cb -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1iw0 h ALA 365 CO -0.06 0.10 -0.08 -1.13 0.00 0.00 0.00 179.25 178.08 1iw0 n SER 366 N -3.89 0.27 0.00 0.00 3.41 -0.60 -4.93 113.62 107.88 1iw0 n SER 366 Ca -0.02 -0.33 0.00 0.00 -0.26 0.00 0.00 58.87 58.25 1iw0 n SER 366 Cb 0.18 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 1iw0 n SER 366 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1iw0 n GLY 367 N 1.31 0.46 3.74 5.00 0.00 -0.09 -5.04 105.19 110.56 1iw0 n GLY 367 Ca 0.13 -0.89 -0.35 0.00 0.00 0.00 0.00 46.02 44.91 1iw0 n GLY 367 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1iw0 s PHE 368 N -2.00 3.43 -1.30 1.61 5.36 -1.19 -4.46 117.98 119.44 1iw0 s PHE 368 Ca 0.00 0.36 -0.05 0.00 -0.96 0.00 0.00 56.93 56.28 1iw0 s PHE 368 Cb 0.00 -2.15 0.03 0.00 -0.34 0.00 0.00 43.02 40.56 1iw0 s PHE 368 CO 0.00 0.32 0.34 0.00 -1.46 0.00 0.00 175.22 174.42 1iw0 n ALA 369 N 3.40 -0.93 -0.14 11.12 0.00 -1.26 -4.38 120.51 128.31 1iw0 n ALA 369 Ca -0.16 0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 1iw0 n ALA 369 Cb 0.52 -2.59 0.05 0.00 0.00 0.00 0.00 19.45 17.43 1iw0 n ALA 369 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1iw0 h GLU 370 N -0.71 0.17 0.00 0.00 5.08 -1.90 -1.19 114.58 116.04 1iw0 h GLU 370 Ca -0.41 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 57.89 1iw0 h GLU 370 Cb 1.29 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 1iw0 h GLU 370 CO 0.48 0.12 -0.24 0.66 -1.00 0.00 0.00 179.01 179.03 1iw0 h SER 371 N 0.18 0.00 -0.21 1.42 4.64 -1.97 -2.28 113.55 115.34 1iw0 h SER 371 Ca 0.23 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.43 1iw0 h SER 371 Cb 0.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.39 1iw0 h SER 371 CO -0.33 0.24 -0.28 0.25 -0.87 0.00 0.00 176.83 175.84 1iw0 h LEU 372 N 0.00 0.72 -5.71 5.97 5.85 -1.61 -3.37 115.31 117.15 1iw0 h LEU 372 Ca -0.00 -0.27 -0.72 0.00 0.84 0.00 0.00 57.88 57.72 1iw0 h LEU 372 Cb 0.54 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 41.29 1iw0 h LEU 372 CO 0.03 0.96 2.75 0.18 -0.34 0.00 0.00 178.44 182.02 1iw0 n LEU 373 N -4.09 7.77 -4.65 2.25 4.77 -0.86 -4.94 117.00 117.26 1iw0 n LEU 373 Ca -0.01 -4.63 -0.43 0.00 -0.03 0.00 0.00 56.01 50.92 1iw0 n LEU 373 Cb 0.46 -1.47 -0.02 0.00 -2.33 0.00 0.00 43.42 40.05 1iw0 n LEU 373 CO 0.45 1.80 1.23 -0.62 -1.33 0.00 0.00 177.39 178.91 1iw0 s ASP 374 N 1.22 6.69 0.24 -1.43 2.15 -1.26 -4.88 116.67 119.40 1iw0 s ASP 374 Ca 0.54 1.68 0.20 0.00 0.43 0.00 0.00 52.55 55.40 1iw0 s ASP 374 Cb 0.16 -2.54 0.95 0.00 -0.30 0.00 0.00 42.92 41.19 1iw0 s ASP 374 CO -0.06 -0.99 1.61 -0.81 -0.17 0.00 0.00 175.17 174.75 1iw0 n PRO 375 N 7.13 0.14 0.31 4.34 -0.04 -1.26 -1.72 135.00 143.90 1iw0 n PRO 375 Ca 0.16 0.51 0.20 0.00 -0.04 0.00 0.00 63.50 64.33 1iw0 n PRO 375 Cb 0.45 -1.85 1.00 0.00 -0.04 0.00 0.00 33.50 33.06 1iw0 n PRO 375 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1iw0 h ALA 376 N 2.14 1.07 0.00 0.55 0.00 -2.00 -1.77 119.26 119.25 1iw0 h ALA 376 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1iw0 h ALA 376 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1iw0 h ALA 376 CO 0.00 0.02 0.00 -0.07 0.00 0.00 0.00 179.25 179.20 1iw0 h LEU 377 N 0.00 0.00 -9.26 0.00 3.38 -1.73 -3.47 115.31 104.23 1iw0 h LEU 377 Ca -0.00 0.00 -0.68 0.00 0.09 0.00 0.00 57.88 57.29 1iw0 h LEU 377 Cb 0.18 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.98 1iw0 h LEU 377 CO 0.00 0.00 0.49 0.59 0.09 0.00 0.00 178.44 179.62 1iw0 n ASN 378 N -2.60 1.72 -0.00 -0.43 5.03 -0.67 -4.89 115.26 113.42 1iw0 n ASN 378 Ca 0.04 1.11 0.05 0.00 0.87 0.00 0.00 54.58 56.65 1iw0 n ASN 378 Cb 0.38 -1.19 -0.07 0.00 -1.02 0.00 0.00 39.78 37.89 1iw0 n ASN 378 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1iw0 n ARG 379 N 2.78 1.68 -0.18 3.52 5.12 -1.26 -4.74 116.66 123.57 1iw0 n ARG 379 Ca 0.19 -0.05 -0.08 0.00 -1.93 0.00 0.00 57.85 55.98 1iw0 n ARG 379 Cb 0.19 -1.12 0.02 0.00 -1.16 0.00 0.00 32.46 30.38 1iw0 n ARG 379 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1iw0 h ALA 380 N 1.07 0.68 -0.25 7.54 0.00 -1.90 0.52 119.26 126.91 1iw0 h ALA 380 Ca 0.00 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1iw0 h ALA 380 Cb 0.36 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1iw0 h ALA 380 CO 0.00 0.25 -0.44 0.93 0.00 0.00 0.00 179.25 179.99 1iw0 h GLU 381 N 0.70 0.63 -0.55 0.00 4.39 -1.98 -1.77 114.58 116.00 1iw0 h GLU 381 Ca 0.18 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1iw0 h GLU 381 Cb 0.14 0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.78 1iw0 h GLU 381 CO -0.02 0.94 0.32 0.28 -1.16 0.00 0.00 179.01 179.38 1iw0 h VAL 382 N 0.51 1.17 -0.93 3.13 2.07 -1.77 -2.36 116.25 118.06 1iw0 h VAL 382 Ca 0.03 -0.40 0.02 0.00 0.82 0.00 0.00 66.70 67.18 1iw0 h VAL 382 Cb 0.97 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 1iw0 h VAL 382 CO 0.09 0.18 0.61 -0.07 0.02 0.00 0.00 177.57 178.40 1iw0 h LEU 383 N 0.74 1.04 -0.90 2.57 3.38 -0.47 -0.50 115.31 121.18 1iw0 h LEU 383 Ca 0.20 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 1iw0 h LEU 383 Cb 0.00 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1iw0 h LEU 383 CO -0.04 0.74 0.24 0.00 0.09 0.00 0.00 178.44 179.47 1iw0 h ALA 384 N 1.36 1.12 -0.66 1.53 0.00 -1.02 0.81 119.26 122.40 1iw0 h ALA 384 Ca 0.36 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1iw0 h ALA 384 Cb -0.07 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1iw0 h ALA 384 CO -0.10 0.61 0.15 0.00 0.00 0.00 0.00 179.25 179.92 1iw0 h ARG 385 N 1.01 1.06 -0.75 0.00 3.08 -0.87 -1.94 114.38 115.97 1iw0 h ARG 385 Ca 0.23 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 1iw0 h ARG 385 Cb 0.25 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.13 1iw0 h ARG 385 CO -0.01 0.96 0.35 -0.44 -1.07 0.00 0.00 179.97 179.75 1iw0 h ASP 386 N 0.98 0.99 -0.21 7.04 3.45 -0.46 -2.79 116.42 125.42 1iw0 h ASP 386 Ca 0.20 -0.14 -0.08 0.00 0.43 0.00 0.00 57.03 57.45 1iw0 h ASP 386 Cb 0.38 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 1iw0 h ASP 386 CO 0.00 0.85 -0.11 -0.07 -1.57 0.00 0.00 179.24 178.35 1iw0 h LEU 387 N 1.05 0.57 -1.92 1.55 3.38 -0.59 -0.37 115.31 118.98 1iw0 h LEU 387 Ca 0.25 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1iw0 h LEU 387 Cb 0.14 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1iw0 h LEU 387 CO -0.03 0.71 -0.07 0.44 0.09 0.00 0.00 178.44 179.59 1iw0 h ASP 388 N 0.54 0.00 0.26 -0.43 3.32 -1.10 -1.91 116.42 117.10 1iw0 h ASP 388 Ca 0.10 0.00 -0.34 0.00 0.02 0.00 0.00 57.03 56.81 1iw0 h ASP 388 Cb 0.51 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 1iw0 h ASP 388 CO 0.03 0.07 -1.75 0.11 -1.72 0.00 0.00 179.24 175.97 1iw0 h LYS 389 N 0.00 0.31 -0.38 3.56 1.57 -1.03 -3.21 116.57 117.39 1iw0 h LYS 389 Ca -0.00 -0.53 -0.16 0.00 -1.87 0.00 0.00 60.65 58.09 1iw0 h LYS 389 Cb 0.12 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1iw0 h LYS 389 CO 0.01 1.20 -0.40 -0.07 -0.57 0.00 0.00 179.45 179.62 1iw0 h LEU 390 N 0.08 1.00 0.00 2.94 3.38 -0.97 -3.21 115.31 118.55 1iw0 h LEU 390 Ca -0.34 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1iw0 h LEU 390 Cb 2.06 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1iw0 h LEU 390 CO 0.15 1.27 -0.54 0.78 0.09 0.00 0.00 178.44 180.19 1iw0 h ASN 391 N 0.76 0.00 -1.13 -0.43 2.35 -1.54 -3.48 115.58 112.11 1iw0 h ASN 391 Ca 0.06 -0.02 -0.22 0.00 -0.55 0.00 0.00 56.30 55.57 1iw0 h ASN 391 Cb 1.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.33 1iw0 h ASN 391 CO 0.10 0.01 -0.25 0.61 -1.65 0.00 0.00 177.43 176.25 1iw0 n GLY 392 N 1.17 0.45 0.00 2.83 0.00 -1.21 -4.94 105.19 103.48 1iw0 n GLY 392 Ca 0.02 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.57 1iw0 n GLY 392 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1iw0 n SER 393 N 0.05 0.00 -0.22 1.61 3.41 -1.23 -5.07 113.62 112.17 1iw0 n SER 393 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 1iw0 n SER 393 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1iw0 n SER 393 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1iw0 n SER 394 N 0.00 0.00 0.00 4.04 3.41 -1.26 -4.47 113.62 115.34 1iw0 n SER 394 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1iw0 n SER 394 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1iw0 n SER 394 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1iw0 n GLU 395 N 0.00 0.00 -0.20 4.33 4.07 -1.26 -4.51 120.64 123.07 1iw0 n GLU 395 Ca 0.00 0.00 0.09 0.00 -0.06 0.00 0.00 57.16 57.19 1iw0 n GLU 395 Cb 0.00 -1.94 0.38 0.00 -0.06 0.00 0.00 31.44 29.81 1iw0 n GLU 395 CO 0.00 0.00 0.00 0.11 -0.06 0.00 0.00 177.13 177.18 1iw0 h TRP 396 N 0.00 0.74 -0.17 4.31 5.08 -1.96 0.43 115.95 124.38 1iw0 h TRP 396 Ca 0.00 0.02 0.05 0.00 1.08 0.00 0.00 58.89 60.04 1iw0 h TRP 396 Cb 0.00 -0.24 -0.01 0.00 -3.00 0.00 0.00 29.16 25.91 1iw0 h TRP 396 CO 0.00 0.36 0.13 0.00 -1.28 0.00 0.00 178.44 177.65 1iw0 h ARG 397 N 0.70 0.00 -0.01 0.12 3.08 -1.92 -1.48 114.38 114.86 1iw0 h ARG 397 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1iw0 h ARG 397 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1iw0 h ARG 397 CO -0.12 0.00 -0.43 0.43 -1.07 0.00 0.00 179.97 178.78 1iw0 n SER 398 N -4.34 1.54 -0.06 7.04 7.64 -0.44 -4.43 113.62 120.58 1iw0 n SER 398 Ca 0.01 -1.21 -0.04 0.00 1.01 0.00 0.00 58.87 58.64 1iw0 n SER 398 Cb 0.26 0.38 -0.11 0.00 -1.01 0.00 0.00 64.21 63.73 1iw0 n SER 398 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1iw0 n ARG 399 N -0.40 1.60 -2.42 1.43 3.00 0.01 -5.05 116.66 114.84 1iw0 n ARG 399 Ca 0.10 -0.03 -0.31 0.00 -0.00 0.00 0.00 57.85 57.61 1iw0 n ARG 399 Cb 0.41 -1.34 -0.02 0.00 0.00 0.00 0.00 32.46 31.51 1iw0 n ARG 399 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.63 178.59 1iw0 s ILE 400 N -2.43 4.67 -0.08 5.15 -4.36 -0.78 -5.06 121.20 118.31 1iw0 s ILE 400 Ca -0.06 0.91 -0.19 0.00 -0.26 0.00 0.00 60.65 61.05 1iw0 s ILE 400 Cb 0.05 -3.77 0.04 0.00 1.25 0.00 0.00 42.46 40.03 1iw0 s ILE 400 CO 0.55 -0.76 0.45 0.28 0.24 0.00 0.00 174.94 175.70 1iw0 s THR 401 N -2.69 0.02 0.24 8.37 -1.32 -1.26 -5.05 115.64 113.96 1iw0 s THR 401 Ca 0.55 -0.20 -0.31 0.00 -1.21 0.00 0.00 61.69 60.52 1iw0 s THR 401 Cb -0.10 -0.71 -0.11 0.00 -1.51 0.00 0.00 72.50 70.06 1iw0 s THR 401 CO 0.37 -0.11 1.65 0.00 -2.21 0.00 0.00 174.62 174.32 1iw0 s ALA 402 N -0.73 3.84 0.94 11.08 0.00 -1.26 -4.97 121.76 130.65 1iw0 s ALA 402 Ca -0.08 1.55 -0.12 0.00 0.00 0.00 0.00 51.96 53.31 1iw0 s ALA 402 Cb -0.03 -3.67 0.15 0.00 0.00 0.00 0.00 23.12 19.57 1iw0 s ALA 402 CO 0.04 -0.93 1.10 -1.54 0.00 0.00 0.00 175.76 174.43 1iw0 s SER 403 N 0.87 3.18 0.25 0.00 1.04 -1.26 -4.65 113.70 113.12 1iw0 s SER 403 Ca 0.69 1.26 -0.03 0.00 0.48 0.00 0.00 55.95 58.35 1iw0 s SER 403 Cb -0.48 -1.93 0.49 0.00 0.10 0.00 0.00 66.02 64.20 1iw0 s SER 403 CO 0.39 -2.79 1.73 -0.65 0.98 0.00 0.00 173.24 172.90 1iw0 h PRO 404 N -1.66 0.45 -0.77 4.02 0.11 -1.97 0.11 132.00 132.29 1iw0 h PRO 404 Ca -0.52 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 1iw0 h PRO 404 Cb 1.31 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 1iw0 h PRO 404 CO 0.57 0.30 0.44 0.00 -0.21 0.00 0.00 178.00 179.11 1iw0 h ALA 405 N 1.56 0.99 -0.15 -0.75 0.00 -1.92 -2.33 119.26 116.67 1iw0 h ALA 405 Ca 0.43 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 1iw0 h ALA 405 Cb 0.66 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1iw0 h ALA 405 CO -0.41 0.48 -0.48 0.28 0.00 0.00 0.00 179.25 179.12 1iw0 h VAL 406 N 1.06 1.33 -0.45 0.00 2.07 -1.51 -1.04 116.25 117.72 1iw0 h VAL 406 Ca 0.27 -1.70 0.06 0.00 0.82 0.00 0.00 66.70 66.16 1iw0 h VAL 406 Cb -0.00 1.74 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 1iw0 h VAL 406 CO -0.05 0.52 0.13 0.40 0.02 0.00 0.00 177.57 178.59 1iw0 h ILE 407 N 0.30 0.82 -0.59 4.57 2.04 -0.56 0.27 117.51 124.37 1iw0 h ILE 407 Ca 0.02 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.75 1iw0 h ILE 407 Cb 0.96 0.51 -0.03 0.00 -0.74 0.00 0.00 36.82 37.52 1iw0 h ILE 407 CO 0.08 0.05 0.26 0.44 0.00 0.00 0.00 178.15 178.98 1iw0 h ASP 408 N 0.28 0.79 0.12 1.72 3.45 -1.04 -0.19 116.42 121.56 1iw0 h ASP 408 Ca 0.21 -0.15 -0.01 0.00 0.43 0.00 0.00 57.03 57.52 1iw0 h ASP 408 Cb 0.24 -0.20 0.00 0.00 -0.56 0.00 0.00 39.33 38.81 1iw0 h ASP 408 CO -0.25 0.72 -0.06 0.22 -1.57 0.00 0.00 179.24 178.31 1iw0 h TYR 409 N 0.81 -0.15 -0.74 4.55 3.20 -0.77 -1.90 116.97 121.97 1iw0 h TYR 409 Ca 0.20 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.13 1iw0 h TYR 409 Cb 0.16 0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.42 1iw0 h TYR 409 CO 0.00 0.11 0.42 0.28 -1.64 0.00 0.00 178.16 177.34 1iw0 h VAL 410 N -0.40 0.97 -0.53 1.81 2.07 -0.42 -1.21 116.25 118.54 1iw0 h VAL 410 Ca -0.02 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 67.29 1iw0 h VAL 410 Cb 0.33 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.19 1iw0 h VAL 410 CO 0.03 0.14 0.27 0.78 0.02 0.00 0.00 177.57 178.80 1iw0 h ASN 411 N 0.76 0.38 -0.42 0.57 2.35 -0.84 0.47 115.58 118.84 1iw0 h ASN 411 Ca 0.34 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 56.06 1iw0 h ASN 411 Cb 0.23 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.54 1iw0 h ASN 411 CO -0.20 0.26 0.05 -0.09 -1.65 0.00 0.00 177.43 175.80 1iw0 h ARG 412 N 0.51 0.71 -0.68 0.81 9.65 -0.95 -1.15 114.38 123.28 1iw0 h ARG 412 Ca 0.24 -0.20 0.00 0.00 -1.10 0.00 0.00 59.98 58.92 1iw0 h ARG 412 Cb 0.15 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 28.62 1iw0 h ARG 412 CO -0.17 0.76 0.44 -0.07 2.80 0.00 0.00 179.97 183.73 1iw0 h LEU 413 N 0.56 0.80 -0.52 3.80 3.38 -0.75 -0.57 115.31 122.01 1iw0 h LEU 413 Ca 0.13 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 1iw0 h LEU 413 Cb 0.40 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1iw0 h LEU 413 CO 0.01 0.59 -0.73 -0.33 0.09 0.00 0.00 178.44 178.07 1iw0 h GLU 414 N 0.93 0.11 -0.41 1.13 5.08 -0.72 -1.36 114.58 119.34 1iw0 h GLU 414 Ca 0.25 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.49 1iw0 h GLU 414 Cb -0.08 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1iw0 h GLU 414 CO -0.05 0.79 0.15 1.49 -1.00 0.00 0.00 179.01 180.39 1iw0 h GLU 415 N 0.07 0.62 -0.93 2.33 4.81 -0.56 -0.91 114.58 120.01 1iw0 h GLU 415 Ca -0.02 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1iw0 h GLU 415 Cb 1.29 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 30.52 1iw0 h GLU 415 CO 0.10 0.60 0.61 0.82 -0.73 0.00 0.00 179.01 180.41 1iw0 h ILE 416 N 0.52 1.18 0.11 2.32 2.04 -0.87 0.94 117.51 123.76 1iw0 h ILE 416 Ca 0.14 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1iw0 h ILE 416 Cb 0.22 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.17 1iw0 h ILE 416 CO -0.01 0.22 -0.05 -0.09 0.00 0.00 0.00 178.15 178.22 1iw0 h ARG 417 N 1.20 -0.15 -0.61 2.37 2.43 -1.08 0.76 114.38 119.30 1iw0 h ARG 417 Ca 0.36 0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.50 1iw0 h ARG 417 Cb -0.05 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1iw0 h ARG 417 CO -0.11 0.08 0.20 -0.44 -1.51 0.00 0.00 179.97 178.19 1iw0 h ASP 418 N -0.36 0.85 0.72 -3.80 3.32 -0.82 -2.10 116.42 114.23 1iw0 h ASP 418 Ca -0.02 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1iw0 h ASP 418 Cb 0.29 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1iw0 h ASP 418 CO 0.03 0.80 -0.25 0.59 -1.72 0.00 0.00 179.24 178.68 1iw0 n ASN 419 N -4.29 0.28 -3.79 6.45 3.02 0.29 -4.96 115.26 112.27 1iw0 n ASN 419 Ca 0.05 0.07 -0.30 0.00 -0.03 0.00 0.00 54.58 54.37 1iw0 n ASN 419 Cb 0.20 -0.10 0.02 0.00 -0.61 0.00 0.00 39.78 39.29 1iw0 n ASN 419 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1iw0 n VAL 420 N -1.47 -4.76 -3.00 2.41 0.31 0.16 -4.87 118.33 107.11 1iw0 n VAL 420 Ca 0.07 -0.78 -0.44 0.00 -0.01 0.00 0.00 64.34 63.18 1iw0 n VAL 420 Cb 0.33 -3.69 -0.03 0.00 -0.91 0.00 0.00 33.84 29.55 1iw0 n VAL 420 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1iw0 s ASP 421 N -3.81 6.62 0.08 4.52 -1.08 -0.62 -4.90 116.67 117.48 1iw0 s ASP 421 Ca 0.30 -2.09 -0.31 0.00 -0.52 0.00 0.00 52.55 49.93 1iw0 s ASP 421 Cb -0.11 -2.36 -0.16 0.00 -1.46 0.00 0.00 42.92 38.82 1iw0 s ASP 421 CO 0.87 -1.00 1.63 1.23 0.52 0.00 0.00 175.17 178.43 1iw0 h GLY 422 N 9.98 -0.81 0.49 2.66 0.00 -1.89 -0.91 103.07 112.59 1iw0 h GLY 422 Ca 0.11 0.34 0.09 0.00 0.00 0.00 0.00 47.33 47.88 1iw0 h GLY 422 CO 1.05 -0.30 0.39 -2.55 0.00 0.00 0.00 176.54 175.13 1iw0 h PRO 423 N -0.76 0.65 -0.80 4.80 0.11 -1.91 -0.68 132.00 133.40 1iw0 h PRO 423 Ca -0.06 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.00 1iw0 h PRO 423 Cb 0.62 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.55 1iw0 h PRO 423 CO 0.05 0.43 0.42 0.00 -0.21 0.00 0.00 178.00 178.69 1iw0 h ALA 424 N 1.44 1.03 -0.50 -0.75 0.00 -1.84 -2.27 119.26 116.37 1iw0 h ALA 424 Ca 0.37 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1iw0 h ALA 424 Cb 0.37 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1iw0 h ALA 424 CO -0.26 0.56 0.21 1.25 0.00 0.00 0.00 179.25 181.01 1iw0 h LEU 425 N 1.12 0.68 -1.10 0.00 7.12 -0.46 -2.44 115.31 120.23 1iw0 h LEU 425 Ca 0.28 -0.16 0.02 0.00 0.13 0.00 0.00 57.88 58.15 1iw0 h LEU 425 Cb 0.06 -0.18 -0.05 0.00 -0.53 0.00 0.00 40.66 39.96 1iw0 h LEU 425 CO -0.04 0.65 0.61 0.58 -0.13 0.00 0.00 178.44 180.11 1iw0 h VAL 426 N 0.67 1.22 -0.27 1.05 2.07 -0.81 0.02 116.25 120.20 1iw0 h VAL 426 Ca 0.17 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.29 1iw0 h VAL 426 Cb 0.17 -0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 29.80 1iw0 h VAL 426 CO -0.02 0.22 0.13 0.00 0.02 0.00 0.00 177.57 177.92 1iw0 h ALA 427 N 1.43 0.32 -0.26 1.67 0.00 -0.98 -0.55 119.26 120.90 1iw0 h ALA 427 Ca 0.35 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.21 1iw0 h ALA 427 Cb -0.10 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1iw0 h ALA 427 CO -0.08 -0.27 -0.08 0.45 0.00 0.00 0.00 179.25 179.26 1iw0 h HIS 428 N 0.27 0.45 -0.22 0.00 -0.00 -0.93 -1.61 115.15 113.11 1iw0 h HIS 428 Ca 0.11 -0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.40 1iw0 h HIS 428 Cb 0.04 -0.13 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 1iw0 h HIS 428 CO -0.10 0.51 0.03 1.25 -0.00 0.00 0.00 177.93 179.61 1iw0 h HIS 429 N 0.40 0.39 -0.00 2.45 6.17 -0.60 -1.90 115.15 122.05 1iw0 h HIS 429 Ca 0.08 -0.06 0.00 0.00 0.71 0.00 0.00 60.37 61.11 1iw0 h HIS 429 Cb 0.40 -0.11 -0.00 0.00 2.52 0.00 0.00 27.41 30.22 1iw0 h HIS 429 CO 0.01 0.51 -0.01 -0.92 0.71 0.00 0.00 177.93 178.23 1iw0 h TYR 430 N 0.15 -0.03 -0.62 5.26 3.20 -0.93 0.16 116.97 124.17 1iw0 h TYR 430 Ca 0.06 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1iw0 h TYR 430 Cb 0.34 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.59 1iw0 h TYR 430 CO 0.02 -0.02 0.38 0.28 -1.64 0.00 0.00 178.16 177.19 1iw0 h VAL 431 N -0.02 1.18 0.00 1.81 2.07 -1.17 -1.84 116.25 118.28 1iw0 h VAL 431 Ca 0.01 -0.38 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1iw0 h VAL 431 Cb 0.03 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.11 1iw0 h VAL 431 CO -0.01 0.18 -0.09 0.03 0.02 0.00 0.00 177.57 177.70 1iw0 h ARG 432 N 0.84 0.00 -0.20 1.57 2.47 -1.31 -3.34 114.38 114.41 1iw0 h ARG 432 Ca 0.22 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.76 1iw0 h ARG 432 Cb -0.04 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.29 1iw0 h ARG 432 CO -0.04 0.12 -0.60 1.88 0.56 0.00 0.00 179.97 181.89 1iw0 h TYR 433 N -1.00 0.99 -0.15 3.04 0.05 -0.72 -0.63 116.97 118.54 1iw0 h TYR 433 Ca -0.01 -0.39 -0.11 0.00 0.05 0.00 0.00 58.73 58.27 1iw0 h TYR 433 Cb 0.19 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 1iw0 h TYR 433 CO 0.00 1.21 -0.38 1.25 -1.05 0.00 0.00 178.16 179.19 1iw0 h LEU 434 N 0.49 0.32 -0.49 3.88 5.85 -1.40 -0.43 115.31 123.53 1iw0 h LEU 434 Ca -0.02 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 1iw0 h LEU 434 Cb 1.22 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1iw0 h LEU 434 CO 0.13 0.68 0.28 1.23 -0.34 0.00 0.00 178.44 180.42 1iw0 h GLY 435 N 1.15 0.72 1.21 3.75 0.00 -1.56 -1.96 103.07 106.39 1iw0 h GLY 435 Ca 0.03 -0.31 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1iw0 h GLY 435 CO 0.06 0.30 0.14 -0.55 0.00 0.00 0.00 176.54 176.50 1iw0 h ASP 436 N 0.65 0.92 0.31 0.19 3.45 -0.51 -0.81 116.42 120.62 1iw0 h ASP 436 Ca 0.17 -0.18 -0.09 0.00 0.43 0.00 0.00 57.03 57.36 1iw0 h ASP 436 Cb 0.02 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.54 1iw0 h ASP 436 CO -0.03 0.90 -0.37 -0.07 -1.57 0.00 0.00 179.24 178.10 1iw0 h LEU 437 N 0.94 0.10 0.00 1.55 3.38 -0.96 -3.07 115.31 117.25 1iw0 h LEU 437 Ca 0.20 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1iw0 h LEU 437 Cb 0.34 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1iw0 h LEU 437 CO 0.00 0.47 0.00 -1.20 0.09 0.00 0.00 178.44 177.80 1iw0 n SER 438 N -4.08 0.00 0.27 -0.43 7.64 -0.75 -4.72 113.62 111.56 1iw0 n SER 438 Ca -0.02 0.00 0.18 0.00 1.01 0.00 0.00 58.87 60.04 1iw0 n SER 438 Cb 0.42 0.00 0.78 0.00 -1.01 0.00 0.00 64.21 64.40 1iw0 n SER 438 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1iw0 h GLY 439 N 0.00 0.00 0.86 0.23 0.00 -1.38 -2.87 103.07 99.91 1iw0 h GLY 439 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 1iw0 h GLY 439 CO 0.00 0.00 0.49 -1.33 0.00 0.00 0.00 176.54 175.70 1iw0 h GLY 440 N 1.58 0.91 1.10 4.60 0.00 -1.29 -1.04 103.07 108.92 1iw0 h GLY 440 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 47.33 47.08 1iw0 h GLY 440 CO 0.00 0.14 0.60 -1.61 0.00 0.00 0.00 176.54 175.68 1iw0 h GLN 441 N 0.63 1.21 -0.30 4.80 4.15 -1.60 -1.14 115.11 122.85 1iw0 h GLN 441 Ca 0.35 -0.08 -0.14 0.00 0.77 0.00 0.00 58.65 59.56 1iw0 h GLN 441 Cb 0.51 -0.27 -0.00 0.00 0.21 0.00 0.00 27.48 27.93 1iw0 h GLN 441 CO -0.13 0.80 -0.34 0.28 -1.93 0.00 0.00 178.83 177.51 1iw0 h VAL 442 N 1.24 1.30 -0.32 2.39 2.07 -1.41 -3.10 116.25 118.42 1iw0 h VAL 442 Ca 0.33 -1.52 0.02 0.00 0.82 0.00 0.00 66.70 66.35 1iw0 h VAL 442 Cb -0.14 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1iw0 h VAL 442 CO -0.07 0.49 0.18 0.40 0.02 0.00 0.00 177.57 178.59 1iw0 h ILE 443 N 0.51 1.02 -0.90 4.57 2.04 -0.65 -2.40 117.51 121.70 1iw0 h ILE 443 Ca 0.04 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.84 1iw0 h ILE 443 Cb 0.93 0.63 -0.07 0.00 -0.74 0.00 0.00 36.82 37.57 1iw0 h ILE 443 CO 0.08 0.07 0.57 0.00 0.00 0.00 0.00 178.15 178.86 1iw0 h ALA 444 N 1.15 1.26 -0.81 1.87 0.00 -1.23 -1.97 119.26 119.52 1iw0 h ALA 444 Ca 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1iw0 h ALA 444 Cb 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1iw0 h ALA 444 CO -0.07 0.31 0.32 0.00 0.00 0.00 0.00 179.25 179.81 1iw0 h ARG 445 N 1.02 1.20 -0.50 0.00 3.08 -1.41 -1.63 114.38 116.14 1iw0 h ARG 445 Ca 0.40 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 1iw0 h ARG 445 Cb 0.20 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1iw0 h ARG 445 CO -0.18 0.97 0.04 0.52 -1.07 0.00 0.00 179.97 180.25 1iw0 h MET 446 N 1.17 0.81 -0.35 0.04 2.86 -0.91 -0.18 114.93 118.38 1iw0 h MET 446 Ca 0.27 -0.20 -0.09 0.00 -2.06 0.00 0.00 59.70 57.62 1iw0 h MET 446 Cb 0.21 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 1iw0 h MET 446 CO -0.02 0.79 -0.16 0.52 1.06 0.00 0.00 176.91 179.10 1iw0 h MET 447 N 0.76 0.63 0.04 1.72 2.86 -0.79 -0.09 114.93 120.06 1iw0 h MET 447 Ca 0.16 -0.21 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1iw0 h MET 447 Cb 0.40 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1iw0 h MET 447 CO 0.01 0.76 -0.02 1.96 1.06 0.00 0.00 176.91 180.68 1iw0 h GLN 448 N 0.57 -0.05 0.67 1.72 4.20 -0.93 -2.16 115.11 119.13 1iw0 h GLN 448 Ca 0.09 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 1iw0 h GLN 448 Cb 0.59 0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.39 1iw0 h GLN 448 CO 0.04 0.36 -0.32 -0.09 -0.67 0.00 0.00 178.83 178.14 1iw0 h ARG 449 N -0.46 -0.87 -0.43 1.46 2.43 -0.93 0.44 114.38 116.02 1iw0 h ARG 449 Ca -0.00 0.06 -0.09 0.00 -0.81 0.00 0.00 59.98 59.13 1iw0 h ARG 449 Cb 0.42 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 1iw0 h ARG 449 CO 0.01 -0.55 -0.11 0.45 -1.51 0.00 0.00 179.97 178.26 1iw0 h HIS 450 N -1.09 0.84 -0.00 2.20 3.86 -1.13 -3.34 115.15 116.49 1iw0 h HIS 450 Ca -0.09 -0.15 0.00 0.00 -1.16 0.00 0.00 60.37 58.97 1iw0 h HIS 450 Cb 0.73 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.98 1iw0 h HIS 450 CO -0.00 0.84 0.00 0.66 0.86 0.00 0.00 177.93 180.29 1iw0 n TYR 451 N -4.17 0.00 -1.65 2.45 0.53 -0.82 -4.99 117.16 108.52 1iw0 n TYR 451 Ca 0.01 -0.01 -0.13 0.00 -1.02 0.00 0.00 57.90 56.76 1iw0 n TYR 451 Cb 0.36 -0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 38.63 1iw0 n TYR 451 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1iw0 n GLY 452 N 0.04 0.87 3.75 2.72 0.00 0.15 -4.87 105.19 107.85 1iw0 n GLY 452 Ca 0.00 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 1iw0 n GLY 452 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1iw0 s VAL 453 N -2.52 2.21 0.40 1.61 1.01 -1.17 -4.95 120.40 116.99 1iw0 s VAL 453 Ca 0.00 0.18 -0.24 0.00 0.00 0.00 0.00 61.98 61.92 1iw0 s VAL 453 Cb 0.00 -3.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 1iw0 s VAL 453 CO 0.00 0.03 1.04 -1.81 0.00 0.00 0.00 175.10 174.36 1iw0 s ASP 454 N 0.39 6.79 0.49 3.32 1.01 -1.26 -4.45 116.67 122.96 1iw0 s ASP 454 Ca 0.61 2.00 0.25 0.00 0.71 0.00 0.00 52.55 56.12 1iw0 s ASP 454 Cb -0.46 -2.58 1.31 0.00 1.01 0.00 0.00 42.92 42.20 1iw0 s ASP 454 CO 0.48 -0.47 1.89 -0.65 0.21 0.00 0.00 175.17 176.64 1iw0 h PRO 455 N 2.48 0.16 0.00 8.23 0.11 -1.97 0.36 132.00 141.37 1iw0 h PRO 455 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1iw0 h PRO 455 Cb 1.21 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1iw0 h PRO 455 CO 0.62 0.10 0.00 0.93 -0.21 0.00 0.00 178.00 179.45 1iw0 h GLU 456 N 0.16 0.00 -0.63 1.05 3.07 -2.02 -1.29 114.58 114.92 1iw0 h GLU 456 Ca 0.42 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.28 1iw0 h GLU 456 Cb 1.39 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.30 1iw0 h GLU 456 CO -0.07 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.54 1iw0 n ALA 457 N -1.85 2.32 -1.44 3.43 0.00 0.11 -4.30 120.51 118.78 1iw0 n ALA 457 Ca 0.01 -1.26 0.07 0.00 0.00 0.00 0.00 53.44 52.27 1iw0 n ALA 457 Cb 0.22 -0.78 0.18 0.00 0.00 0.00 0.00 19.45 19.06 1iw0 n ALA 457 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1iw0 n LEU 458 N 1.33 2.49 -0.07 0.00 4.77 -0.49 -4.79 117.00 120.24 1iw0 n LEU 458 Ca 0.21 -3.51 0.12 0.00 -0.03 0.00 0.00 56.01 52.80 1iw0 n LEU 458 Cb 0.57 -0.47 0.52 0.00 -2.33 0.00 0.00 43.42 41.70 1iw0 n LEU 458 CO 0.14 1.11 1.18 1.23 -1.33 0.00 0.00 177.39 179.73 1iw0 h GLY 459 N 0.62 0.53 -0.09 -0.72 0.00 -1.75 -1.74 103.07 99.92 1iw0 h GLY 459 Ca -0.01 -0.15 0.24 0.00 0.00 0.00 0.00 47.33 47.41 1iw0 h GLY 459 CO 0.00 0.09 0.61 -2.75 0.00 0.00 0.00 176.54 174.49 1iw0 h PHE 460 N 0.37 0.99 -0.01 5.60 3.57 -1.86 -1.14 116.94 124.47 1iw0 h PHE 460 Ca 0.27 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1iw0 h PHE 460 Cb 0.56 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.01 1iw0 h PHE 460 CO -0.00 0.10 -0.11 0.66 -2.23 0.00 0.00 178.31 176.73 1iw0 n TYR 461 N -4.83 0.00 -4.28 0.41 4.02 -0.66 -4.79 117.16 107.03 1iw0 n TYR 461 Ca 0.26 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.81 1iw0 n TYR 461 Cb 0.72 -0.11 -0.13 0.00 -0.02 0.00 0.00 39.34 39.80 1iw0 n TYR 461 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1iw0 s HIS 462 N -2.33 2.94 -0.48 -0.72 2.46 -0.43 -4.62 115.29 112.11 1iw0 s HIS 462 Ca 0.32 -0.64 -0.14 0.00 0.47 0.00 0.00 55.06 55.07 1iw0 s HIS 462 Cb 0.20 -2.00 0.10 0.00 -0.13 0.00 0.00 32.58 30.75 1iw0 s HIS 462 CO 0.44 -0.30 0.40 -0.06 -2.47 0.00 0.00 174.74 172.76 1iw0 s PHE 463 N 0.85 3.28 0.22 3.88 0.40 -1.26 -4.94 117.98 120.40 1iw0 s PHE 463 Ca -0.02 -1.23 -0.09 0.00 -0.60 0.00 0.00 56.93 55.00 1iw0 s PHE 463 Cb -0.15 -3.37 0.32 0.00 0.51 0.00 0.00 43.02 40.34 1iw0 s PHE 463 CO 0.01 -0.89 1.73 1.49 0.70 0.00 0.00 175.22 178.25 1iw0 h GLU 464 N 8.71 0.35 -0.72 0.44 4.57 -1.92 -2.43 114.58 123.58 1iw0 h GLU 464 Ca -0.27 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1iw0 h GLU 464 Cb 1.10 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1iw0 h GLU 464 CO 0.91 0.23 0.00 0.41 -1.18 0.00 0.00 179.01 179.38 1iw0 n GLY 465 N -1.31 2.52 2.72 1.92 0.00 -1.26 -4.75 105.19 105.04 1iw0 n GLY 465 Ca 0.10 -0.63 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 1iw0 n GLY 465 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1iw0 s ILE 466 N -2.21 1.13 -0.08 -0.61 1.01 -0.92 -4.98 121.20 114.55 1iw0 s ILE 466 Ca 0.37 -1.96 -0.25 0.00 0.00 0.00 0.00 60.65 58.81 1iw0 s ILE 466 Cb 0.29 -1.82 -0.26 0.00 0.01 0.00 0.00 42.46 40.67 1iw0 s ILE 466 CO 0.11 -0.78 0.93 0.00 0.00 0.00 0.00 174.94 175.19 1iw0 h ALA 467 N 7.42 -0.00 -2.40 9.38 0.00 -1.85 -3.40 119.26 128.41 1iw0 h ALA 467 Ca -0.07 -0.52 -0.76 0.00 0.00 0.00 0.00 54.91 53.57 1iw0 h ALA 467 Cb 0.97 0.03 -0.23 0.00 0.00 0.00 0.00 17.79 18.56 1iw0 h ALA 467 CO 0.47 0.11 0.50 0.15 0.00 0.00 0.00 179.25 180.48 1iw0 s LYS 468 N -2.73 3.75 0.34 0.00 1.02 -1.26 -4.86 119.74 116.00 1iw0 s LYS 468 Ca -0.16 -2.38 0.02 0.00 0.02 0.00 0.00 55.97 53.46 1iw0 s LYS 468 Cb -0.00 -4.66 0.61 0.00 -0.52 0.00 0.00 37.83 33.25 1iw0 s LYS 468 CO 0.74 -1.48 2.00 -0.07 -0.92 0.00 0.00 175.35 175.63 1iw0 h LEU 469 N 8.60 0.76 -0.71 3.17 3.38 -1.97 -1.57 115.31 126.98 1iw0 h LEU 469 Ca 0.16 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 1iw0 h LEU 469 Cb 0.99 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1iw0 h LEU 469 CO 0.95 0.55 0.30 0.11 0.09 0.00 0.00 178.44 180.44 1iw0 h LYS 470 N 0.90 1.04 -0.35 1.13 1.79 -1.96 0.67 116.57 119.80 1iw0 h LYS 470 Ca 0.24 -0.18 -0.10 0.00 -2.18 0.00 0.00 60.65 58.44 1iw0 h LYS 470 Cb -0.10 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.37 1iw0 h LYS 470 CO -0.05 0.85 -0.18 0.28 -1.08 0.00 0.00 179.45 179.26 1iw0 h VAL 471 N 1.00 1.29 -0.60 0.50 2.07 -1.87 -1.38 116.25 117.26 1iw0 h VAL 471 Ca 0.24 -1.31 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1iw0 h VAL 471 Cb 0.18 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1iw0 h VAL 471 CO -0.02 0.43 0.30 0.22 0.02 0.00 0.00 177.57 178.52 1iw0 h TYR 472 N 0.51 0.85 -0.33 1.57 3.20 -0.97 -0.51 116.97 121.29 1iw0 h TYR 472 Ca 0.08 -0.03 -0.12 0.00 3.14 0.00 0.00 58.73 61.79 1iw0 h TYR 472 Cb 0.73 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1iw0 h TYR 472 CO 0.06 0.64 -0.29 0.87 -1.64 0.00 0.00 178.16 177.79 1iw0 h LYS 473 N 0.82 0.70 -0.66 1.82 1.57 -0.81 0.84 116.57 120.84 1iw0 h LYS 473 Ca 0.21 -0.31 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1iw0 h LYS 473 Cb 0.09 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1iw0 h LYS 473 CO -0.03 0.91 0.14 0.22 -0.57 0.00 0.00 179.45 180.12 1iw0 h ASP 474 N 0.60 1.01 -0.40 0.86 -0.00 -0.83 -0.62 116.42 117.04 1iw0 h ASP 474 Ca 0.07 -0.24 -0.12 0.00 -0.00 0.00 0.00 57.03 56.74 1iw0 h ASP 474 Cb 0.80 -0.27 -0.01 0.00 -0.00 0.00 0.00 39.33 39.85 1iw0 h ASP 474 CO 0.07 1.00 -0.19 -0.33 -0.00 0.00 0.00 179.24 179.78 1iw0 h GLU 475 N 0.99 0.89 -0.29 0.28 5.08 -0.76 -0.12 114.58 120.65 1iw0 h GLU 475 Ca 0.20 -0.36 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 1iw0 h GLU 475 Cb 0.39 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1iw0 h GLU 475 CO 0.01 1.00 0.16 -0.92 -1.00 0.00 0.00 179.01 178.26 1iw0 h TYR 476 N 0.78 0.40 -0.78 4.33 5.03 -0.55 -0.99 116.97 125.19 1iw0 h TYR 476 Ca 0.11 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.40 1iw0 h TYR 476 Cb 0.74 -0.13 -0.04 0.00 1.55 0.00 0.00 36.73 38.85 1iw0 h TYR 476 CO 0.04 0.33 0.46 0.00 -1.32 0.00 0.00 178.16 177.68 1iw0 h ARG 477 N 0.35 1.06 -0.89 1.82 3.08 -0.89 -0.92 114.38 117.99 1iw0 h ARG 477 Ca 0.10 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1iw0 h ARG 477 Cb 0.06 -0.22 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 1iw0 h ARG 477 CO -0.02 0.76 0.48 0.93 -1.07 0.00 0.00 179.97 181.05 1iw0 h GLU 478 N 1.07 1.24 -0.76 0.04 4.39 -0.78 -0.42 114.58 119.35 1iw0 h GLU 478 Ca 0.28 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.81 1iw0 h GLU 478 Cb -0.02 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 28.35 1iw0 h GLU 478 CO -0.05 0.91 0.42 0.87 -1.16 0.00 0.00 179.01 180.00 1iw0 h LYS 479 N 1.25 1.06 -0.25 2.33 1.57 -0.57 -0.08 116.57 121.88 1iw0 h LYS 479 Ca 0.31 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.98 1iw0 h LYS 479 Cb 0.03 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1iw0 h LYS 479 CO -0.05 0.79 0.15 -0.07 -0.57 0.00 0.00 179.45 179.70 1iw0 h LEU 480 N 1.06 0.23 -1.68 2.94 3.38 -0.67 -2.02 115.31 118.55 1iw0 h LEU 480 Ca 0.27 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 1iw0 h LEU 480 Cb 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1iw0 h LEU 480 CO -0.04 0.17 -0.18 0.78 0.09 0.00 0.00 178.44 179.26 1iw0 h ASN 481 N 0.30 0.00 0.01 -0.43 2.35 -0.59 -2.69 115.58 114.53 1iw0 h ASN 481 Ca 0.10 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1iw0 h ASN 481 Cb -0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1iw0 h ASN 481 CO -0.05 0.18 -0.05 0.59 -1.65 0.00 0.00 177.43 176.45 1iw0 n ASN 482 N -4.20 1.86 -4.70 5.81 3.02 -0.09 -4.80 115.26 112.16 1iw0 n ASN 482 Ca -0.02 -1.56 -0.42 0.00 -0.03 0.00 0.00 54.58 52.54 1iw0 n ASN 482 Cb 0.25 0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 1iw0 n ASN 482 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1iw0 s LEU 483 N -2.08 4.35 -0.24 3.41 2.96 -0.80 -4.95 118.68 121.34 1iw0 s LEU 483 Ca 0.33 2.31 -0.29 0.00 -0.22 0.00 0.00 54.13 56.26 1iw0 s LEU 483 Cb 0.20 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.32 1iw0 s LEU 483 CO 0.36 -0.75 1.30 -0.70 -1.32 0.00 0.00 176.35 175.24 1iw0 s GLU 484 N 1.95 4.04 -0.03 1.98 2.56 -1.26 -5.00 118.70 122.95 1iw0 s GLU 484 Ca 0.67 1.44 0.00 0.00 0.00 0.00 0.00 54.97 57.08 1iw0 s GLU 484 Cb -0.36 -3.84 0.02 0.00 2.00 0.00 0.00 34.13 31.95 1iw0 s GLU 484 CO 0.29 -0.96 0.00 -0.51 -0.56 0.00 0.00 175.26 173.53 1iw0 s LEU 485 N 4.05 1.24 0.93 2.70 1.43 -1.26 -5.08 118.68 122.69 1iw0 s LEU 485 Ca 0.56 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.52 1iw0 s LEU 485 Cb -0.19 -0.20 0.15 0.00 0.03 0.00 0.00 46.19 45.98 1iw0 s LEU 485 CO 0.20 -0.09 1.09 -0.94 0.23 0.00 0.00 176.35 176.84 1iw0 s SER 486 N 0.92 3.13 0.22 2.29 1.04 -1.26 -4.75 113.70 115.29 1iw0 s SER 486 Ca -0.09 1.46 -0.08 0.00 0.48 0.00 0.00 55.95 57.71 1iw0 s SER 486 Cb -0.13 -2.13 0.30 0.00 0.10 0.00 0.00 66.02 64.16 1iw0 s SER 486 CO -0.02 -2.85 1.76 0.44 0.98 0.00 0.00 173.24 173.56 1iw0 h ASP 487 N -1.70 0.36 -0.29 7.02 3.32 -2.01 0.82 116.42 123.94 1iw0 h ASP 487 Ca -0.51 0.07 -0.14 0.00 0.02 0.00 0.00 57.03 56.47 1iw0 h ASP 487 Cb 1.29 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.85 1iw0 h ASP 487 CO 0.54 0.21 -0.32 -0.33 -1.72 0.00 0.00 179.24 177.62 1iw0 h GLU 488 N 0.51 0.81 -0.30 3.56 3.07 -1.99 -1.51 114.58 118.72 1iw0 h GLU 488 Ca 0.32 -0.38 -0.01 0.00 -0.50 0.00 0.00 59.36 58.79 1iw0 h GLU 488 Cb 0.36 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.25 1iw0 h GLU 488 CO -0.28 1.01 0.13 1.96 -1.40 0.00 0.00 179.01 180.44 1iw0 h GLN 489 N 0.68 0.45 -0.51 2.33 4.20 -1.68 -1.51 115.11 119.06 1iw0 h GLN 489 Ca 0.07 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1iw0 h GLN 489 Cb 0.86 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 1iw0 h GLN 489 CO 0.08 0.44 0.31 -0.09 -0.67 0.00 0.00 178.83 178.90 1iw0 h ARG 490 N 0.35 0.69 -0.64 1.46 2.43 -0.67 -0.58 114.38 117.41 1iw0 h ARG 490 Ca 0.10 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 1iw0 h ARG 490 Cb 0.15 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.52 1iw0 h ARG 490 CO -0.01 0.49 0.35 1.49 -1.51 0.00 0.00 179.97 180.78 1iw0 h GLU 491 N 0.69 0.89 -0.39 0.20 4.81 -1.18 -0.75 114.58 118.84 1iw0 h GLU 491 Ca 0.18 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1iw0 h GLU 491 Cb -0.02 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1iw0 h GLU 491 CO -0.04 0.67 0.20 1.25 -0.73 0.00 0.00 179.01 180.37 1iw0 h HIS 492 N 0.87 0.55 -0.36 0.92 2.76 -1.02 -1.28 115.15 117.59 1iw0 h HIS 492 Ca 0.23 -0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.39 1iw0 h HIS 492 Cb 0.04 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 1iw0 h HIS 492 CO -0.01 0.44 0.21 1.25 -1.30 0.00 0.00 177.93 178.53 1iw0 h LEU 493 N 0.50 0.35 -0.64 0.26 6.46 -0.84 -0.82 115.31 120.58 1iw0 h LEU 493 Ca 0.14 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.81 1iw0 h LEU 493 Cb 0.08 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 39.92 1iw0 h LEU 493 CO -0.02 0.25 0.07 -0.07 -0.62 0.00 0.00 178.44 178.05 1iw0 h LEU 494 N 0.44 1.05 -0.71 2.25 3.38 -0.95 -0.74 115.31 120.02 1iw0 h LEU 494 Ca 0.14 -0.28 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1iw0 h LEU 494 Cb 0.00 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 1iw0 h LEU 494 CO -0.06 1.07 0.24 0.50 0.09 0.00 0.00 178.44 180.28 1iw0 h LYS 495 N 1.00 1.09 -0.40 1.13 3.11 -1.13 -2.64 116.57 118.74 1iw0 h LYS 495 Ca 0.19 -0.22 -0.02 0.00 -2.81 0.00 0.00 60.65 57.78 1iw0 h LYS 495 Cb 0.49 -0.16 -0.02 0.00 -1.00 0.00 0.00 32.23 31.53 1iw0 h LYS 495 CO 0.02 0.92 0.14 1.49 -2.81 0.00 0.00 179.45 179.22 1iw0 h GLU 496 N 1.04 0.57 -0.63 1.90 4.57 -0.58 -1.52 114.58 119.92 1iw0 h GLU 496 Ca 0.23 -0.08 -0.07 0.00 -1.18 0.00 0.00 59.36 58.26 1iw0 h GLU 496 Cb 0.27 -0.11 -0.03 0.00 -0.16 0.00 0.00 28.75 28.73 1iw0 h GLU 496 CO -0.01 0.48 0.12 0.00 -1.18 0.00 0.00 179.01 178.42 1iw0 h ALA 497 N 1.60 0.84 -0.64 2.92 0.00 -0.80 0.60 119.26 123.77 1iw0 h ALA 497 Ca 0.14 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 1iw0 h ALA 497 Cb 0.14 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1iw0 h ALA 497 CO -0.01 0.59 0.28 1.15 0.00 0.00 0.00 179.25 181.26 1iw0 h THR 498 N 0.95 1.23 -0.53 0.00 2.02 -1.21 -2.02 112.91 113.35 1iw0 h THR 498 Ca 0.19 -0.68 -0.05 0.00 0.77 0.00 0.00 66.41 66.64 1iw0 h THR 498 Cb 0.41 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.28 1iw0 h THR 498 CO 0.01 0.27 0.12 0.44 0.37 0.00 0.00 175.52 176.74 1iw0 h ASP 499 N 0.90 0.76 -0.59 4.18 3.32 -0.63 -1.91 116.42 122.45 1iw0 h ASP 499 Ca 0.22 -0.14 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 1iw0 h ASP 499 Cb 0.16 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1iw0 h ASP 499 CO -0.02 0.75 0.15 0.00 -1.72 0.00 0.00 179.24 178.40 1iw0 h ALA 500 N 1.35 0.77 -0.72 3.45 0.00 -0.58 -0.40 119.26 123.13 1iw0 h ALA 500 Ca 0.17 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1iw0 h ALA 500 Cb 0.30 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1iw0 h ALA 500 CO -0.00 0.47 0.19 0.74 0.00 0.00 0.00 179.25 180.64 1iw0 h PHE 501 N 0.84 1.18 -0.38 0.00 -1.00 -1.00 -1.92 116.94 114.66 1iw0 h PHE 501 Ca 0.18 -0.13 0.02 0.00 2.81 0.00 0.00 57.97 60.85 1iw0 h PHE 501 Cb 0.33 -0.34 -0.03 0.00 3.61 0.00 0.00 35.95 39.53 1iw0 h PHE 501 CO 0.02 0.95 0.22 0.28 -1.61 0.00 0.00 178.31 178.18 1iw0 h VAL 502 N 1.08 1.04 -0.57 -0.55 2.07 -0.81 0.25 116.25 118.76 1iw0 h VAL 502 Ca 0.23 -0.15 0.06 0.00 0.82 0.00 0.00 66.70 67.65 1iw0 h VAL 502 Cb 0.35 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 1iw0 h VAL 502 CO -0.00 0.08 0.28 -0.26 0.02 0.00 0.00 177.57 177.69 1iw0 h PHE 503 N 0.45 0.51 -0.70 1.57 0.05 -0.79 -1.26 116.94 116.77 1iw0 h PHE 503 Ca 0.15 0.02 -0.07 0.00 3.82 0.00 0.00 57.97 61.89 1iw0 h PHE 503 Cb 0.01 -0.15 -0.03 0.00 2.00 0.00 0.00 35.95 37.78 1iw0 h PHE 503 CO -0.07 0.23 0.16 -0.91 -0.18 0.00 0.00 178.31 177.53 1iw0 h ASN 504 N 0.53 1.06 -0.75 2.17 2.35 -0.80 -1.56 115.58 118.58 1iw0 h ASN 504 Ca 0.26 -0.23 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 1iw0 h ASN 504 Cb 0.20 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.25 1iw0 h ASN 504 CO -0.19 1.02 0.28 -0.74 -1.65 0.00 0.00 177.43 176.14 1iw0 h HIS 505 N 1.06 1.18 0.00 1.19 2.76 -0.57 -2.58 115.15 118.19 1iw0 h HIS 505 Ca 0.22 -0.10 -0.06 0.00 -2.20 0.00 0.00 60.37 58.23 1iw0 h HIS 505 Cb 0.38 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 1iw0 h HIS 505 CO 0.03 0.90 -0.30 1.96 -1.30 0.00 0.00 177.93 179.22 1iw0 h GLN 506 N 1.11 0.00 -0.41 5.26 1.08 -0.76 -1.24 115.11 120.16 1iw0 h GLN 506 Ca 0.25 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.47 1iw0 h GLN 506 Cb 0.25 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.65 1iw0 h GLN 506 CO -0.02 0.30 0.24 0.28 -0.95 0.00 0.00 178.83 178.69 1iw0 h VAL 507 N 0.00 1.05 -0.68 -0.54 2.07 -0.89 -0.87 116.25 116.39 1iw0 h VAL 507 Ca -0.00 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 1iw0 h VAL 507 Cb 0.54 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1iw0 h VAL 507 CO 0.04 0.09 0.25 -0.26 0.02 0.00 0.00 177.57 177.70 1iw0 h PHE 508 N 0.49 1.05 -0.60 1.57 0.04 -1.28 -1.54 116.94 116.68 1iw0 h PHE 508 Ca 0.16 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.84 1iw0 h PHE 508 Cb -0.00 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 37.81 1iw0 h PHE 508 CO -0.07 0.83 0.39 0.00 -0.60 0.00 0.00 178.31 178.86 1iw0 h ALA 509 N 1.11 0.76 -0.34 2.45 0.00 -0.91 -0.11 119.26 122.22 1iw0 h ALA 509 Ca 0.22 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1iw0 h ALA 509 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1iw0 h ALA 509 CO -0.01 0.20 0.10 -0.44 0.00 0.00 0.00 179.25 179.10 1iw0 h ASP 510 N 0.81 0.50 -0.96 0.00 5.19 -0.96 -2.24 116.42 118.75 1iw0 h ASP 510 Ca 0.22 -0.21 0.09 0.00 -0.62 0.00 0.00 57.03 56.50 1iw0 h ASP 510 Cb -0.07 -0.13 -0.07 0.00 0.18 0.00 0.00 39.33 39.23 1iw0 h ASP 510 CO -0.05 0.58 0.61 -0.07 -3.12 0.00 0.00 179.24 177.19 1iw0 h LEU 511 N 0.39 0.94 -1.63 1.55 3.38 -0.89 -0.91 115.31 118.15 1iw0 h LEU 511 Ca 0.11 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1iw0 h LEU 511 Cb 0.26 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1iw0 h LEU 511 CO -0.00 0.56 0.00 1.23 0.09 0.00 0.00 178.44 180.32 1iw0 h GLY 512 N 1.05 0.00 -3.19 0.83 0.00 -0.68 -2.49 103.07 98.58 1iw0 h GLY 512 Ca 0.44 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.49 1iw0 h GLY 512 CO -0.21 0.00 0.29 0.58 0.00 0.00 0.00 176.54 177.20 1iw0 n LYS 513 N -2.96 2.71 -1.03 4.80 2.85 -0.45 -4.93 118.16 119.14 1iw0 n LYS 513 Ca 0.00 -3.07 -0.01 0.00 -1.05 0.00 0.00 58.31 54.18 1iw0 n LYS 513 Cb 0.25 -2.07 -0.01 0.00 -0.65 0.00 0.00 35.03 32.55 1iw0 n LYS 513 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1iw0 n GLY 514 N -0.75 0.43 0.57 2.58 0.00 -0.94 -5.05 105.19 102.03 1iw0 n GLY 514 Ca 0.44 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.47 1iw0 n GLY 514 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36