#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iw4 s ARG 333 N 0.00 4.43 0.18 -1.24 3.52 -1.26 -4.97 118.95 119.61 3iw4 s ARG 333 Ca 0.00 1.31 0.07 0.00 -0.13 0.00 0.00 55.73 56.97 3iw4 s ARG 333 Cb 0.00 -2.60 -0.05 0.00 -1.56 0.00 0.00 34.95 30.74 3iw4 s ARG 333 CO 0.00 0.13 -0.13 0.14 -0.81 0.00 0.00 175.30 174.63 3iw4 s VAL 334 N -1.76 1.55 0.37 7.11 -7.23 -1.26 -5.16 120.40 114.01 3iw4 s VAL 334 Ca 0.54 -2.13 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 3iw4 s VAL 334 Cb -0.17 -1.95 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 3iw4 s VAL 334 CO 0.22 -0.62 0.12 -1.59 -0.31 0.00 0.00 175.10 172.91 3iw4 s LYS 335 N -3.58 1.79 0.36 4.82 -2.85 -1.26 -4.95 119.74 114.07 3iw4 s LYS 335 Ca 0.20 -2.06 0.09 0.00 -1.00 0.00 0.00 55.97 53.19 3iw4 s LYS 335 Cb -0.00 -0.56 0.82 0.00 -2.06 0.00 0.00 37.83 36.02 3iw4 s LYS 335 CO 0.05 -0.41 1.89 1.25 0.10 0.00 0.00 175.35 178.23 3iw4 h LEU 336 N 1.95 0.64 -0.00 2.77 5.85 -1.97 -1.22 115.31 123.33 3iw4 h LEU 336 Ca -0.36 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.39 3iw4 h LEU 336 Cb 1.26 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3iw4 h LEU 336 CO 0.59 0.34 -0.01 0.35 -0.34 0.00 0.00 178.44 179.37 3iw4 n THR 337 N -4.54 0.00 1.42 1.05 -2.24 -1.26 -2.89 114.28 105.82 3iw4 n THR 337 Ca 0.16 -0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.02 3iw4 n THR 337 Cb 0.43 -0.49 0.47 0.00 -2.10 0.00 0.00 70.33 68.63 3iw4 n THR 337 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3iw4 n ASP 338 N -1.48 0.00 -4.02 3.42 8.00 -0.46 -4.83 116.55 117.18 3iw4 n ASP 338 Ca 0.08 -0.93 -0.15 0.00 0.71 0.00 0.00 54.79 54.50 3iw4 n ASP 338 Cb 0.33 0.00 -0.13 0.00 -0.02 0.00 0.00 41.12 41.30 3iw4 n ASP 338 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3iw4 s PHE 339 N -2.00 0.60 -0.20 1.24 0.08 -1.14 -0.87 117.98 115.68 3iw4 s PHE 339 Ca 0.24 -0.31 -0.05 0.00 0.12 0.00 0.00 56.93 56.93 3iw4 s PHE 339 Cb 0.11 -0.37 -0.02 0.00 -0.57 0.00 0.00 43.02 42.17 3iw4 s PHE 339 CO 0.18 -0.05 -0.00 -0.80 -0.10 0.00 0.00 175.22 174.46 3iw4 s ASN 340 N -0.90 4.80 -0.10 1.36 0.02 -0.63 -4.89 114.94 114.60 3iw4 s ASN 340 Ca -0.04 -0.22 -0.29 0.00 -1.02 0.00 0.00 52.86 51.29 3iw4 s ASN 340 Cb -0.06 -1.82 -0.05 0.00 0.02 0.00 0.00 41.25 39.34 3iw4 s ASN 340 CO 0.00 0.05 1.64 -0.36 0.02 0.00 0.00 177.10 178.45 3iw4 s PHE 341 N 1.07 2.04 -0.15 2.20 0.08 -1.26 -1.79 117.98 120.16 3iw4 s PHE 341 Ca 0.02 0.33 -0.14 0.00 0.12 0.00 0.00 56.93 57.25 3iw4 s PHE 341 Cb -0.14 -3.91 -0.11 0.00 -0.57 0.00 0.00 43.02 38.29 3iw4 s PHE 341 CO 0.01 -3.53 0.14 -0.07 -0.10 0.00 0.00 175.22 171.67 3iw4 h LEU 342 N 10.64 0.00 -7.74 -0.37 4.07 -1.05 -3.42 115.31 117.44 3iw4 h LEU 342 Ca -0.37 -0.32 0.17 0.00 0.08 0.00 0.00 57.88 57.44 3iw4 h LEU 342 Cb 1.17 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.84 3iw4 h LEU 342 CO 0.97 0.97 0.50 0.00 -1.08 0.00 0.00 178.44 179.80 3iw4 s MET 343 N -2.14 1.25 -0.08 1.13 0.23 -1.12 -4.59 119.30 113.98 3iw4 s MET 343 Ca -0.17 -0.73 -0.30 0.00 -1.03 0.00 0.00 55.69 53.47 3iw4 s MET 343 Cb 0.02 0.40 -0.02 0.00 -1.53 0.00 0.00 34.83 33.71 3iw4 s MET 343 CO 0.37 -0.58 1.00 0.08 -2.03 0.00 0.00 175.02 173.86 3iw4 s VAL 344 N -2.98 4.80 0.14 5.16 1.01 -1.26 0.22 120.40 127.49 3iw4 s VAL 344 Ca 0.15 2.04 -0.04 0.00 0.00 0.00 0.00 61.98 64.13 3iw4 s VAL 344 Cb -0.02 -4.31 -0.16 0.00 0.00 0.00 0.00 36.38 31.89 3iw4 s VAL 344 CO 0.03 0.04 1.33 -0.07 0.00 0.00 0.00 175.10 176.43 3iw4 h LEU 345 N 7.75 0.53 0.00 3.92 3.38 -0.80 -3.44 115.31 126.65 3iw4 h LEU 345 Ca -0.33 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.24 3iw4 h LEU 345 Cb 1.16 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.75 3iw4 h LEU 345 CO 0.83 1.19 0.00 0.61 0.09 0.00 0.00 178.44 181.16 3iw4 n GLY 346 N 0.85 0.81 2.92 0.83 0.00 -0.60 -5.00 105.19 105.01 3iw4 n GLY 346 Ca -0.06 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.88 3iw4 n GLY 346 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iw4 s LYS 347 N -2.00 0.45 0.00 1.61 1.02 -1.26 -1.02 119.74 118.54 3iw4 s LYS 347 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 55.97 55.87 3iw4 s LYS 347 Cb 0.00 -0.48 0.00 0.00 -0.52 0.00 0.00 37.83 36.83 3iw4 s LYS 347 CO 0.00 0.03 0.00 0.41 -0.92 0.00 0.00 175.35 174.87 3iw4 n GLY 348 N 3.35 -1.24 0.34 -3.33 0.00 -0.32 -4.97 105.19 99.01 3iw4 n GLY 348 Ca -0.18 -0.82 0.16 0.00 0.00 0.00 0.00 46.02 45.18 3iw4 n GLY 348 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3iw4 h SER 349 N 0.00 0.00 0.00 1.61 4.64 -2.06 0.99 113.55 118.73 3iw4 h SER 349 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3iw4 h SER 349 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3iw4 h SER 349 CO 0.00 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.18 3iw4 n PHE 350 N -2.96 0.00 -3.74 4.77 -1.74 -1.26 -5.01 117.46 107.52 3iw4 n PHE 350 Ca -0.01 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.88 3iw4 n PHE 350 Cb 0.41 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.41 3iw4 n PHE 350 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 3iw4 n GLY 351 N 0.46 -0.51 3.22 4.97 0.00 0.34 -4.75 105.19 108.92 3iw4 n GLY 351 Ca 0.02 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 3iw4 n GLY 351 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iw4 s LYS 352 N 0.00 2.52 -0.12 1.61 2.20 -1.22 -1.18 119.74 123.57 3iw4 s LYS 352 Ca 0.00 -1.22 -0.12 0.00 -0.36 0.00 0.00 55.97 54.27 3iw4 s LYS 352 Cb 0.00 -3.31 -0.05 0.00 -1.51 0.00 0.00 37.83 32.97 3iw4 s LYS 352 CO 0.00 -0.64 0.26 0.08 -0.36 0.00 0.00 175.35 174.70 3iw4 s VAL 353 N 1.32 5.31 -0.02 4.02 1.01 -0.19 -1.61 120.40 130.24 3iw4 s VAL 353 Ca -0.04 0.49 0.04 0.00 0.00 0.00 0.00 61.98 62.48 3iw4 s VAL 353 Cb -0.20 -3.57 -0.01 0.00 0.00 0.00 0.00 36.38 32.60 3iw4 s VAL 353 CO 0.01 0.50 -0.15 -0.32 0.00 0.00 0.00 175.10 175.14 3iw4 s MET 354 N -0.29 1.36 -0.00 2.72 1.75 -0.27 -0.10 119.30 124.46 3iw4 s MET 354 Ca 0.17 -0.52 -0.29 0.00 -1.25 0.00 0.00 55.69 53.80 3iw4 s MET 354 Cb -0.13 -1.25 -0.03 0.00 2.84 0.00 0.00 34.83 36.25 3iw4 s MET 354 CO 0.06 0.26 0.93 -1.17 -0.65 0.00 0.00 175.02 174.44 3iw4 s LEU 355 N -0.12 4.37 -0.03 4.11 2.96 0.61 -0.79 118.68 129.79 3iw4 s LEU 355 Ca 0.01 1.58 -0.05 0.00 -0.22 0.00 0.00 54.13 55.45 3iw4 s LEU 355 Cb -0.08 -3.48 0.01 0.00 0.50 0.00 0.00 46.19 43.14 3iw4 s LEU 355 CO 0.01 -0.22 0.13 0.00 -1.32 0.00 0.00 176.35 174.94 3iw4 s ALA 356 N 0.88 -0.30 -0.02 5.97 0.00 0.40 -0.35 121.76 128.35 3iw4 s ALA 356 Ca 0.49 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.60 3iw4 s ALA 356 Cb -0.21 -0.07 -0.03 0.00 0.00 0.00 0.00 23.12 22.81 3iw4 s ALA 356 CO 0.26 -0.13 -0.10 0.16 0.00 0.00 0.00 175.76 175.96 3iw4 s ASP 357 N -0.60 4.41 0.16 0.00 -4.77 -0.74 0.24 116.67 115.38 3iw4 s ASP 357 Ca -0.07 -0.16 -0.31 0.00 -3.30 0.00 0.00 52.55 48.70 3iw4 s ASP 357 Cb -0.04 -0.99 -0.09 0.00 -1.09 0.00 0.00 42.92 40.70 3iw4 s ASP 357 CO 0.01 0.31 1.50 -0.60 0.70 0.00 0.00 175.17 177.08 3iw4 s ARG 358 N -1.17 4.25 0.27 2.11 3.52 -0.74 -1.61 118.95 125.59 3iw4 s ARG 358 Ca 0.15 2.27 -0.30 0.00 -0.13 0.00 0.00 55.73 57.71 3iw4 s ARG 358 Cb -0.11 -3.18 -0.12 0.00 -1.56 0.00 0.00 34.95 29.98 3iw4 s ARG 358 CO 0.05 -0.53 1.53 1.63 -0.81 0.00 0.00 175.30 177.17 3iw4 n LYS 359 N 3.77 2.47 -0.95 5.12 5.02 -0.05 -2.71 118.16 130.84 3iw4 n LYS 359 Ca 0.12 0.88 0.00 0.00 -2.02 0.00 0.00 58.31 57.29 3iw4 n LYS 359 Cb 0.40 -2.62 0.00 0.00 -0.02 0.00 0.00 35.03 32.79 3iw4 n LYS 359 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3iw4 n GLY 360 N 2.21 0.49 3.40 0.72 0.00 -1.26 -4.96 105.19 105.78 3iw4 n GLY 360 Ca 0.10 -0.35 0.02 0.00 0.00 0.00 0.00 46.02 45.79 3iw4 n GLY 360 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3iw4 s THR 361 N -2.00 -0.69 -0.28 2.61 -1.32 -1.10 -5.04 115.64 107.82 3iw4 s THR 361 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 3iw4 s THR 361 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 3iw4 s THR 361 CO 0.00 0.00 0.37 -0.62 -2.21 0.00 0.00 174.62 172.16 3iw4 n GLU 362 N 5.24 0.00 -1.62 7.08 4.71 -1.26 -3.87 120.64 130.93 3iw4 n GLU 362 Ca -0.08 0.05 -0.42 0.00 -0.01 0.00 0.00 57.16 56.70 3iw4 n GLU 362 Cb 0.51 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 3iw4 n GLU 362 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 3iw4 n GLU 363 N -0.87 1.43 -4.40 3.49 1.02 -1.26 -4.86 120.64 115.19 3iw4 n GLU 363 Ca 0.00 0.51 -0.27 0.00 -0.02 0.00 0.00 57.16 57.38 3iw4 n GLU 363 Cb 0.22 -2.04 -0.12 0.00 -0.02 0.00 0.00 31.44 29.49 3iw4 n GLU 363 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3iw4 s LEU 364 N -0.40 2.46 0.03 -4.62 1.02 -1.26 -1.80 118.68 114.11 3iw4 s LEU 364 Ca 0.61 -0.81 -0.14 0.00 0.02 0.00 0.00 54.13 53.81 3iw4 s LEU 364 Cb -0.58 -1.24 0.02 0.00 0.02 0.00 0.00 46.19 44.41 3iw4 s LEU 364 CO 0.58 0.13 0.32 -0.31 0.02 0.00 0.00 176.35 177.09 3iw4 s TYR 365 N -1.52 -0.14 -0.08 0.29 1.51 0.14 -4.17 117.35 113.38 3iw4 s TYR 365 Ca 0.20 0.06 -0.15 0.00 -1.01 0.00 0.00 57.07 56.16 3iw4 s TYR 365 Cb -0.09 0.11 -0.05 0.00 -0.11 0.00 0.00 41.96 41.82 3iw4 s TYR 365 CO 0.09 -0.48 0.39 0.00 -1.11 0.00 0.00 175.55 174.44 3iw4 s ALA 366 N -2.27 3.61 -0.17 3.71 0.00 -0.55 -0.45 121.76 125.63 3iw4 s ALA 366 Ca -0.07 -0.28 0.01 0.00 0.00 0.00 0.00 51.96 51.62 3iw4 s ALA 366 Cb -0.02 -2.45 0.02 0.00 0.00 0.00 0.00 23.12 20.67 3iw4 s ALA 366 CO -0.01 0.24 -0.18 0.42 0.00 0.00 0.00 175.76 176.23 3iw4 s ILE 367 N -0.18 1.90 0.21 0.00 1.01 0.03 -0.04 121.20 124.13 3iw4 s ILE 367 Ca 0.22 -0.84 -0.28 0.00 0.00 0.00 0.00 60.65 59.75 3iw4 s ILE 367 Cb -0.15 -1.73 -0.09 0.00 0.01 0.00 0.00 42.46 40.50 3iw4 s ILE 367 CO 0.10 0.51 0.87 -0.75 0.00 0.00 0.00 174.94 175.67 3iw4 s LYS 368 N 1.35 4.74 -0.02 2.79 2.20 -0.44 -1.12 119.74 129.23 3iw4 s LYS 368 Ca 0.05 1.35 0.02 0.00 -0.36 0.00 0.00 55.97 57.03 3iw4 s LYS 368 Cb -0.13 -3.27 0.01 0.00 -1.51 0.00 0.00 37.83 32.93 3iw4 s LYS 368 CO -0.12 0.54 -0.06 0.42 -0.36 0.00 0.00 175.35 175.77 3iw4 s ILE 369 N -1.17 0.56 -0.03 5.43 1.01 -0.63 -1.00 121.20 125.37 3iw4 s ILE 369 Ca 0.39 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.83 3iw4 s ILE 369 Cb -0.25 -0.52 0.01 0.00 0.01 0.00 0.00 42.46 41.71 3iw4 s ILE 369 CO 0.30 0.19 -0.06 -0.76 0.00 0.00 0.00 174.94 174.61 3iw4 s LEU 370 N 0.36 1.62 0.10 2.97 1.43 -0.59 -3.37 118.68 121.21 3iw4 s LEU 370 Ca -0.05 -0.15 -0.31 0.00 -1.03 0.00 0.00 54.13 52.60 3iw4 s LEU 370 Cb -0.09 -0.46 -0.08 0.00 0.03 0.00 0.00 46.19 45.59 3iw4 s LEU 370 CO 0.00 0.01 1.41 -0.54 0.23 0.00 0.00 176.35 177.46 3iw4 s LYS 371 N 0.46 4.31 0.09 1.70 1.02 -1.26 -0.72 119.74 125.34 3iw4 s LYS 371 Ca -0.06 2.09 -0.29 0.00 0.02 0.00 0.00 55.97 57.72 3iw4 s LYS 371 Cb -0.10 -3.29 -0.14 0.00 -0.52 0.00 0.00 37.83 33.78 3iw4 s LYS 371 CO 0.00 -0.47 1.64 0.87 -0.92 0.00 0.00 175.35 176.48 3iw4 h LYS 372 N 6.96 -0.58 -0.84 1.68 1.57 -0.60 -0.90 116.57 123.86 3iw4 h LYS 372 Ca -0.42 0.04 0.21 0.00 -1.87 0.00 0.00 60.65 58.61 3iw4 h LYS 372 Cb 1.21 0.13 -0.13 0.00 0.08 0.00 0.00 32.23 33.52 3iw4 h LYS 372 CO 0.87 -0.39 0.24 0.38 -0.57 0.00 0.00 179.45 179.99 3iw4 h ASP 373 N -0.60 0.06 -0.08 0.86 2.03 -1.92 -1.83 116.42 114.94 3iw4 h ASP 373 Ca -0.02 0.17 -0.04 0.00 -0.73 0.00 0.00 57.03 56.41 3iw4 h ASP 373 Cb 0.52 0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 39.24 3iw4 h ASP 373 CO -0.01 -0.09 -0.11 0.58 -1.03 0.00 0.00 179.24 178.58 3iw4 h VAL 374 N 0.27 1.39 -0.56 4.15 2.07 -1.75 0.41 116.25 122.22 3iw4 h VAL 374 Ca 0.51 -1.34 0.11 0.00 0.82 0.00 0.00 66.70 66.80 3iw4 h VAL 374 Cb 0.97 2.08 -0.11 0.00 -1.52 0.00 0.00 31.29 32.71 3iw4 h VAL 374 CO -0.59 0.38 -0.20 0.58 0.02 0.00 0.00 177.57 177.76 3iw4 h VAL 375 N -0.22 0.34 0.37 2.57 2.07 -0.89 0.13 116.25 120.62 3iw4 h VAL 375 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 3iw4 h VAL 375 Cb 0.66 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 3iw4 h VAL 375 CO 0.03 0.00 -0.25 0.40 0.02 0.00 0.00 177.57 177.77 3iw4 h ILE 376 N -0.06 0.48 -0.12 4.57 2.04 -0.90 -1.54 117.51 121.98 3iw4 h ILE 376 Ca 0.26 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.16 3iw4 h ILE 376 Cb 0.47 0.48 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3iw4 h ILE 376 CO -0.61 0.00 0.22 -0.61 0.00 0.00 0.00 178.15 177.15 3iw4 h GLN 377 N -0.60 0.00 -0.62 2.37 4.15 0.70 -1.49 115.11 119.61 3iw4 h GLN 377 Ca -0.03 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.23 3iw4 h GLN 377 Cb 0.51 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.11 3iw4 h GLN 377 CO 0.02 0.00 0.17 -0.25 -1.93 0.00 0.00 178.83 176.84 3iw4 n ASP 378 N -3.40 4.69 -4.12 -0.69 8.00 0.37 -4.94 116.55 116.46 3iw4 n ASP 378 Ca 0.00 -3.19 -0.31 0.00 0.71 0.00 0.00 54.79 52.00 3iw4 n ASP 378 Cb 0.32 -0.70 -0.04 0.00 -0.02 0.00 0.00 41.12 40.68 3iw4 n ASP 378 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3iw4 n ASP 379 N -0.16 -1.33 -0.15 -2.24 8.00 -0.56 -4.84 116.55 115.27 3iw4 n ASP 379 Ca 0.36 -1.05 0.02 0.00 0.71 0.00 0.00 54.79 54.82 3iw4 n ASP 379 Cb 1.27 -2.71 0.03 0.00 -0.02 0.00 0.00 41.12 39.69 3iw4 n ASP 379 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3iw4 n ASP 380 N -2.83 1.70 -0.25 -2.24 8.00 -0.64 -4.71 116.55 115.58 3iw4 n ASP 380 Ca -0.15 -1.51 -0.04 0.00 0.71 0.00 0.00 54.79 53.80 3iw4 n ASP 380 Cb 0.61 -0.03 0.07 0.00 -0.02 0.00 0.00 41.12 41.75 3iw4 n ASP 380 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3iw4 h VAL 381 N 0.59 1.11 0.24 2.53 2.07 -1.89 -2.18 116.25 118.73 3iw4 h VAL 381 Ca 0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 3iw4 h VAL 381 Cb 0.32 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3iw4 h VAL 381 CO 0.00 0.16 -0.47 -0.33 0.02 0.00 0.00 177.57 176.95 3iw4 h GLU 382 N 0.87 -0.74 0.00 1.57 3.07 -1.93 -2.01 114.58 115.41 3iw4 h GLU 382 Ca 0.28 0.05 -0.07 0.00 -0.50 0.00 0.00 59.36 59.11 3iw4 h GLU 382 Cb -0.00 0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 3iw4 h GLU 382 CO -0.10 -0.49 -0.35 0.00 -1.40 0.00 0.00 179.01 176.67 3iw4 h THR 384 N 0.00 0.45 -0.38 0.00 2.02 -1.28 0.68 112.91 114.41 3iw4 h THR 384 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3iw4 h THR 384 Cb 0.93 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.77 3iw4 h THR 384 CO 0.05 0.00 0.24 0.24 0.37 0.00 0.00 175.52 176.42 3iw4 h MET 385 N -0.43 0.51 -0.06 6.66 2.86 -0.49 0.14 114.93 124.12 3iw4 h MET 385 Ca 0.04 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3iw4 h MET 385 Cb 0.47 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.97 3iw4 h MET 385 CO -0.17 0.36 -0.27 0.28 1.06 0.00 0.00 176.91 178.17 3iw4 h VAL 386 N 0.51 0.39 -0.47 -2.22 2.07 -0.59 0.15 116.25 116.08 3iw4 h VAL 386 Ca 0.14 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.74 3iw4 h VAL 386 Cb -0.03 0.39 -0.10 0.00 -1.52 0.00 0.00 31.29 30.03 3iw4 h VAL 386 CO -0.03 0.00 -0.40 -0.08 0.02 0.00 0.00 177.57 177.09 3iw4 h GLU 387 N -0.37 -0.26 -0.30 1.57 4.81 0.11 0.48 114.58 120.62 3iw4 h GLU 387 Ca 0.08 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.40 3iw4 h GLU 387 Cb 0.49 0.06 -0.08 0.00 0.63 0.00 0.00 28.75 29.85 3iw4 h GLU 387 CO -0.28 -0.17 -0.27 -0.22 -0.73 0.00 0.00 179.01 177.34 3iw4 h LYS 388 N -0.27 -0.24 -0.80 1.92 3.11 -0.16 0.13 116.57 120.27 3iw4 h LYS 388 Ca 0.17 0.02 0.04 0.00 -2.81 0.00 0.00 60.65 58.06 3iw4 h LYS 388 Cb 0.57 0.05 -0.05 0.00 -1.00 0.00 0.00 32.23 31.80 3iw4 h LYS 388 CO -0.61 -0.16 0.50 0.00 -2.81 0.00 0.00 179.45 176.37 3iw4 h ARG 389 N -0.25 0.94 -0.22 1.90 3.08 0.64 -0.20 114.38 120.28 3iw4 h ARG 389 Ca 0.15 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 3iw4 h ARG 389 Cb 0.49 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3iw4 h ARG 389 CO -0.45 0.62 -0.09 0.28 -1.07 0.00 0.00 179.97 179.26 3iw4 h VAL 390 N 0.97 1.30 -0.47 2.04 2.07 0.68 -1.75 116.25 121.09 3iw4 h VAL 390 Ca 0.33 -1.15 0.14 0.00 0.82 0.00 0.00 66.70 66.84 3iw4 h VAL 390 Cb 0.05 1.60 -0.02 0.00 -1.52 0.00 0.00 31.29 31.40 3iw4 h VAL 390 CO -0.13 0.35 0.43 -0.07 0.02 0.00 0.00 177.57 178.17 3iw4 h LEU 391 N 0.15 0.00 0.00 2.57 3.38 -0.52 -3.11 115.31 117.78 3iw4 h LEU 391 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3iw4 h LEU 391 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3iw4 h LEU 391 CO 0.03 0.00 -1.02 0.00 0.09 0.00 0.00 178.44 177.54 3iw4 n ALA 392 N -2.45 3.33 -1.50 1.53 0.00 -0.11 -4.46 120.51 116.84 3iw4 n ALA 392 Ca 0.09 -0.39 -0.50 0.00 0.00 0.00 0.00 53.44 52.64 3iw4 n ALA 392 Cb 0.63 -0.99 -0.04 0.00 0.00 0.00 0.00 19.45 19.05 3iw4 n ALA 392 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3iw4 n LEU 393 N -2.00 0.27 -4.83 0.00 4.77 -1.00 -4.94 117.00 109.26 3iw4 n LEU 393 Ca 0.02 1.15 -0.31 0.00 -0.03 0.00 0.00 56.01 56.83 3iw4 n LEU 393 Cb 0.44 -1.07 0.04 0.00 -2.33 0.00 0.00 43.42 40.50 3iw4 n LEU 393 CO 0.40 -2.04 0.71 -0.76 -1.33 0.00 0.00 177.39 174.37 3iw4 s LEU 394 N 1.35 3.18 0.00 2.23 1.43 -1.26 -4.20 118.68 121.40 3iw4 s LEU 394 Ca 0.71 1.57 0.00 0.00 -1.03 0.00 0.00 54.13 55.39 3iw4 s LEU 394 Cb -0.94 -4.49 0.00 0.00 0.03 0.00 0.00 46.19 40.79 3iw4 s LEU 394 CO 0.56 -1.27 0.00 0.47 0.23 0.00 0.00 176.35 176.33 3iw4 n ASP 395 N -2.97 -3.27 -4.70 2.29 8.00 -1.26 -4.98 116.55 109.66 3iw4 n ASP 395 Ca 0.07 0.00 -0.43 0.00 0.71 0.00 0.00 54.79 55.14 3iw4 n ASP 395 Cb 0.54 -1.12 -0.01 0.00 -0.02 0.00 0.00 41.12 40.51 3iw4 n ASP 395 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3iw4 n LYS 396 N -2.07 2.21 -1.70 -1.24 5.02 -1.26 -4.95 118.16 114.17 3iw4 n LYS 396 Ca 0.00 0.78 -0.36 0.00 -2.02 0.00 0.00 58.31 56.71 3iw4 n LYS 396 Cb 0.10 -2.42 0.07 0.00 -0.02 0.00 0.00 35.03 32.76 3iw4 n LYS 396 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3iw4 s PRO 397 N -1.36 2.51 0.48 1.97 0.04 -1.26 -4.89 135.00 132.49 3iw4 s PRO 397 Ca 0.59 1.89 0.33 0.00 0.04 0.00 0.00 61.00 63.85 3iw4 s PRO 397 Cb -0.57 -1.86 1.66 0.00 0.04 0.00 0.00 34.50 33.77 3iw4 s PRO 397 CO 0.58 -1.58 1.99 -1.00 0.04 0.00 0.00 177.00 177.03 3iw4 h PRO 398 N 0.33 0.00 0.00 0.56 0.13 -1.92 -2.82 132.00 128.28 3iw4 h PRO 398 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 3iw4 h PRO 398 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3iw4 h PRO 398 CO 0.52 0.00 0.00 1.19 -0.23 0.00 0.00 178.00 179.48 3iw4 n PHE 399 N -2.70 0.00 -4.18 1.56 3.72 -1.26 -4.67 117.46 109.93 3iw4 n PHE 399 Ca -0.01 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.08 3iw4 n PHE 399 Cb 0.12 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.58 3iw4 n PHE 399 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3iw4 s LEU 400 N -1.62 3.44 0.30 4.37 1.43 -1.07 0.51 118.68 126.05 3iw4 s LEU 400 Ca 0.29 -0.15 -0.29 0.00 -1.03 0.00 0.00 54.13 52.94 3iw4 s LEU 400 Cb 0.13 -2.13 -0.13 0.00 0.03 0.00 0.00 46.19 44.09 3iw4 s LEU 400 CO 0.22 0.20 1.32 0.35 0.23 0.00 0.00 176.35 178.67 3iw4 n THR 401 N 0.78 1.59 -3.26 5.49 -2.24 -0.61 -4.81 114.28 111.23 3iw4 n THR 401 Ca -0.12 -0.40 -0.39 0.00 -2.27 0.00 0.00 64.05 60.88 3iw4 n THR 401 Cb 0.52 -1.50 -0.06 0.00 -2.10 0.00 0.00 70.33 67.19 3iw4 n THR 401 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3iw4 s GLN 402 N -1.29 4.24 -0.26 -0.78 -0.21 -1.26 -4.96 119.66 115.14 3iw4 s GLN 402 Ca 0.60 0.71 -0.25 0.00 0.02 0.00 0.00 55.36 56.44 3iw4 s GLN 402 Cb -0.61 -3.29 0.00 0.00 1.00 0.00 0.00 33.01 30.12 3iw4 s GLN 402 CO 0.57 0.51 0.88 -1.17 -2.12 0.00 0.00 175.29 173.96 3iw4 s LEU 403 N -0.65 4.07 -0.03 2.90 2.96 -1.26 -1.55 118.68 125.12 3iw4 s LEU 403 Ca 0.29 1.02 -0.19 0.00 -0.22 0.00 0.00 54.13 55.03 3iw4 s LEU 403 Cb -0.19 -3.26 -0.12 0.00 0.50 0.00 0.00 46.19 43.12 3iw4 s LEU 403 CO 0.18 -0.60 0.83 -0.74 -1.32 0.00 0.00 176.35 174.70 3iw4 h HIS 404 N 7.77 -0.45 0.00 5.38 -0.00 0.65 -3.41 115.15 125.09 3iw4 h HIS 404 Ca -0.22 -0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.14 3iw4 h HIS 404 Cb 1.08 0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.64 3iw4 h HIS 404 CO 0.77 -0.16 0.00 -1.13 -0.00 0.00 0.00 177.93 177.41 3iw4 n SER 405 N -5.11 0.00 -4.17 3.26 3.41 -1.06 -0.36 113.62 109.60 3iw4 n SER 405 Ca -0.08 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.38 3iw4 n SER 405 Cb 0.25 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.09 3iw4 n SER 405 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3iw4 s PHE 407 N -2.09 0.45 0.10 0.00 -0.12 -0.34 -1.61 117.98 114.37 3iw4 s PHE 407 Ca 0.03 -0.94 0.00 0.00 -0.05 0.00 0.00 56.93 55.97 3iw4 s PHE 407 Cb -0.05 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.78 3iw4 s PHE 407 CO 0.01 -1.38 -0.02 1.14 -0.05 0.00 0.00 175.22 174.93 3iw4 s GLN 408 N -2.74 0.83 0.11 1.99 -2.07 -1.26 -1.39 119.66 115.13 3iw4 s GLN 408 Ca 0.21 -1.36 0.00 0.00 -1.82 0.00 0.00 55.36 52.39 3iw4 s GLN 408 Cb -0.03 0.01 -0.00 0.00 -1.09 0.00 0.00 33.01 31.90 3iw4 s GLN 408 CO 0.14 -0.12 0.01 0.25 -1.32 0.00 0.00 175.29 174.25 3iw4 n THR 409 N -0.04 0.00 0.04 3.63 -2.24 -0.23 -5.01 114.28 110.43 3iw4 n THR 409 Ca -0.10 -0.55 -0.11 0.00 -2.27 0.00 0.00 64.05 61.02 3iw4 n THR 409 Cb 0.62 0.13 -0.04 0.00 -2.10 0.00 0.00 70.33 68.94 3iw4 n THR 409 CO 0.00 0.00 0.00 -0.37 -0.57 0.00 0.00 175.07 174.13 3iw4 h VAL 410 N 1.09 0.42 -0.01 2.28 -1.51 -2.02 -3.27 116.25 113.23 3iw4 h VAL 410 Ca -0.09 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.38 3iw4 h VAL 410 Cb 0.29 0.42 0.00 0.00 -2.13 0.00 0.00 31.29 29.87 3iw4 h VAL 410 CO 0.15 0.00 -0.55 -0.90 -1.23 0.00 0.00 177.57 175.04 3iw4 n ASP 411 N -5.37 1.91 -3.89 4.19 5.75 -1.26 -4.92 116.55 112.96 3iw4 n ASP 411 Ca -0.04 -1.45 -0.09 0.00 -0.01 0.00 0.00 54.79 53.20 3iw4 n ASP 411 Cb 0.28 0.54 -0.08 0.00 -1.03 0.00 0.00 41.12 40.84 3iw4 n ASP 411 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3iw4 s ARG 412 N -2.55 0.81 0.19 0.11 0.52 -1.23 0.18 118.95 116.97 3iw4 s ARG 412 Ca 0.17 -0.99 0.11 0.00 -0.52 0.00 0.00 55.73 54.50 3iw4 s ARG 412 Cb 0.18 0.32 -0.04 0.00 0.52 0.00 0.00 34.95 35.93 3iw4 s ARG 412 CO 0.61 -0.24 -0.21 -0.51 0.02 0.00 0.00 175.30 174.97 3iw4 s LEU 413 N -2.86 2.56 -0.12 2.53 1.43 0.11 -1.07 118.68 121.25 3iw4 s LEU 413 Ca 0.05 -0.80 -0.06 0.00 -1.03 0.00 0.00 54.13 52.30 3iw4 s LEU 413 Cb 0.05 -1.29 0.05 0.00 0.03 0.00 0.00 46.19 45.04 3iw4 s LEU 413 CO -0.11 0.12 0.28 -0.31 0.23 0.00 0.00 176.35 176.56 3iw4 s TYR 414 N -1.66 -0.40 -0.21 0.29 2.02 -0.49 -1.53 117.35 115.37 3iw4 s TYR 414 Ca 0.22 0.91 -0.01 0.00 -0.37 0.00 0.00 57.07 57.82 3iw4 s TYR 414 Cb -0.08 0.07 0.02 0.00 -0.40 0.00 0.00 41.96 41.57 3iw4 s TYR 414 CO 0.11 -0.28 -0.12 -0.06 -1.57 0.00 0.00 175.55 173.63 3iw4 s PHE 415 N 1.49 2.93 -0.57 2.71 0.40 -0.17 -1.20 117.98 123.57 3iw4 s PHE 415 Ca -0.08 -1.51 -0.22 0.00 -0.60 0.00 0.00 56.93 54.53 3iw4 s PHE 415 Cb -0.10 -2.00 0.06 0.00 0.51 0.00 0.00 43.02 41.48 3iw4 s PHE 415 CO -0.09 -0.73 0.84 0.08 0.70 0.00 0.00 175.22 176.02 3iw4 s VAL 416 N 1.33 4.54 0.09 -0.44 1.01 -0.08 -1.33 120.40 125.51 3iw4 s VAL 416 Ca 0.03 -0.18 0.04 0.00 0.00 0.00 0.00 61.98 61.88 3iw4 s VAL 416 Cb -0.15 -4.50 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 3iw4 s VAL 416 CO -0.08 -1.11 0.01 -0.04 0.00 0.00 0.00 175.10 173.88 3iw4 s MET 417 N 3.52 2.61 0.55 2.72 -1.94 0.95 0.12 119.30 127.83 3iw4 s MET 417 Ca 0.23 -0.81 -0.20 0.00 -1.71 0.00 0.00 55.69 53.20 3iw4 s MET 417 Cb -0.16 -2.58 -0.06 0.00 2.01 0.00 0.00 34.83 34.04 3iw4 s MET 417 CO 0.14 0.55 0.96 -0.85 -0.01 0.00 0.00 175.02 175.80 3iw4 n GLU 418 N 0.56 1.02 -3.03 2.03 0.28 -0.60 -1.49 120.64 119.41 3iw4 n GLU 418 Ca -0.10 0.39 -0.40 0.00 -0.16 0.00 0.00 57.16 56.88 3iw4 n GLU 418 Cb 0.52 -2.12 -0.05 0.00 1.43 0.00 0.00 31.44 31.22 3iw4 n GLU 418 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3iw4 s TYR 419 N -1.47 3.49 -0.20 -1.84 5.04 -1.26 -4.13 117.35 116.99 3iw4 s TYR 419 Ca 0.72 1.17 -0.04 0.00 -2.44 0.00 0.00 57.07 56.48 3iw4 s TYR 419 Cb -0.45 -2.85 -0.02 0.00 0.35 0.00 0.00 41.96 38.99 3iw4 s TYR 419 CO 0.50 -0.05 -0.02 0.08 -1.34 0.00 0.00 175.55 174.72 3iw4 s VAL 420 N 1.39 3.73 -0.16 3.14 1.01 -1.26 -4.98 120.40 123.26 3iw4 s VAL 420 Ca 0.35 -0.39 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 3iw4 s VAL 420 Cb -0.17 -2.68 -0.17 0.00 0.00 0.00 0.00 36.38 33.37 3iw4 s VAL 420 CO 0.15 0.44 0.31 0.78 0.00 0.00 0.00 175.10 176.77 3iw4 h ASN 421 N 7.51 0.00 -1.55 3.32 2.35 -1.89 -3.44 115.58 121.88 3iw4 h ASN 421 Ca -0.36 -0.53 -0.66 0.00 -0.55 0.00 0.00 56.30 54.20 3iw4 h ASN 421 Cb 1.18 0.00 -0.24 0.00 0.05 0.00 0.00 38.32 39.31 3iw4 h ASN 421 CO 0.60 1.11 0.81 0.61 -1.65 0.00 0.00 177.43 178.92 3iw4 n GLY 422 N 1.56 5.13 0.03 2.83 0.00 -0.33 -4.99 105.19 109.41 3iw4 n GLY 422 Ca -0.18 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.62 3iw4 n GLY 422 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iw4 n GLY 423 N -0.10 -2.74 3.90 -0.02 0.00 -1.26 -4.37 105.19 100.60 3iw4 n GLY 423 Ca 0.52 -1.35 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 3iw4 n GLY 423 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3iw4 s ASP 424 N -3.47 5.27 0.17 1.61 1.47 -1.26 -1.26 116.67 119.20 3iw4 s ASP 424 Ca 0.00 0.88 -0.13 0.00 1.18 0.00 0.00 52.55 54.48 3iw4 s ASP 424 Cb 0.00 -1.67 0.06 0.00 -0.34 0.00 0.00 42.92 40.97 3iw4 s ASP 424 CO 0.00 -1.38 1.77 -0.07 0.68 0.00 0.00 175.17 176.17 3iw4 h LEU 425 N -0.58 0.68 -0.67 2.11 3.38 0.21 -2.07 115.31 118.38 3iw4 h LEU 425 Ca -0.45 -0.10 0.12 0.00 0.09 0.00 0.00 57.88 57.54 3iw4 h LEU 425 Cb 1.27 -0.17 -0.13 0.00 0.09 0.00 0.00 40.66 41.72 3iw4 h LEU 425 CO 0.63 0.59 -0.27 -0.03 0.09 0.00 0.00 178.44 179.45 3iw4 h MET 426 N 0.73 -0.08 0.06 1.13 4.05 -1.81 -1.52 114.93 117.48 3iw4 h MET 426 Ca 0.19 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.63 3iw4 h MET 426 Cb 0.07 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.86 3iw4 h MET 426 CO -0.03 -0.05 -0.16 -0.92 0.23 0.00 0.00 176.91 175.98 3iw4 h TYR 427 N -0.09 -0.42 0.14 1.39 3.20 -1.76 -0.77 116.97 118.66 3iw4 h TYR 427 Ca 0.29 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 3iw4 h TYR 427 Cb 0.54 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.99 3iw4 h TYR 427 CO -0.62 -0.24 -0.07 0.45 -1.64 0.00 0.00 178.16 176.04 3iw4 h HIS 428 N -0.30 -0.17 -0.47 -3.82 3.86 -0.69 -1.82 115.15 111.74 3iw4 h HIS 428 Ca 0.03 -0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.35 3iw4 h HIS 428 Cb 0.33 0.06 -0.09 0.00 1.06 0.00 0.00 27.41 28.77 3iw4 h HIS 428 CO -0.18 -0.11 -0.05 1.51 0.86 0.00 0.00 177.93 179.95 3iw4 n ILE 429 N -2.55 -0.20 0.11 2.45 3.06 -0.65 0.15 119.36 121.74 3iw4 n ILE 429 Ca -0.02 1.05 0.01 0.00 -2.50 0.00 0.00 62.75 61.29 3iw4 n ILE 429 Cb 0.07 -1.49 0.05 0.00 0.54 0.00 0.00 39.64 38.82 3iw4 n ILE 429 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3iw4 n GLN 430 N -4.64 0.05 -0.10 9.51 6.02 -0.30 -0.52 117.38 127.41 3iw4 n GLN 430 Ca 0.09 0.03 -0.19 0.00 -0.01 0.00 0.00 57.00 56.93 3iw4 n GLN 430 Cb 0.30 -1.50 -0.12 0.00 1.02 0.00 0.00 30.24 29.93 3iw4 n GLN 430 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 3iw4 n GLN 431 N -1.03 0.68 0.07 -1.09 1.13 0.40 -4.53 117.38 113.00 3iw4 n GLN 431 Ca 0.01 0.17 0.03 0.00 -1.94 0.00 0.00 57.00 55.28 3iw4 n GLN 431 Cb 0.01 -1.56 -0.04 0.00 0.11 0.00 0.00 30.24 28.76 3iw4 n GLN 431 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 3iw4 h VAL 432 N 0.02 0.48 0.00 5.09 2.07 -1.39 -3.48 116.25 119.03 3iw4 h VAL 432 Ca -0.54 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.13 3iw4 h VAL 432 Cb 1.93 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.73 3iw4 h VAL 432 CO -0.05 0.27 0.00 0.61 0.02 0.00 0.00 177.57 178.42 3iw4 n GLY 433 N 1.32 2.53 3.79 2.17 0.00 0.33 -4.91 105.19 110.41 3iw4 n GLY 433 Ca -0.05 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.26 3iw4 n GLY 433 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iw4 s LYS 434 N 0.00 1.72 0.23 1.61 -2.85 -1.26 -4.06 119.74 115.14 3iw4 s LYS 434 Ca 0.00 -1.02 0.02 0.00 -1.00 0.00 0.00 55.97 53.97 3iw4 s LYS 434 Cb 0.00 0.58 -0.03 0.00 -2.06 0.00 0.00 37.83 36.32 3iw4 s LYS 434 CO 0.00 -0.77 0.39 -0.06 0.10 0.00 0.00 175.35 175.00 3iw4 s PHE 435 N -3.93 3.47 0.37 1.78 0.08 -0.76 -4.99 117.98 114.01 3iw4 s PHE 435 Ca 0.13 0.16 -0.26 0.00 0.12 0.00 0.00 56.93 57.08 3iw4 s PHE 435 Cb -0.05 -1.72 -0.09 0.00 -0.57 0.00 0.00 43.02 40.60 3iw4 s PHE 435 CO 0.07 0.38 1.12 0.15 -0.10 0.00 0.00 175.22 176.84 3iw4 s LYS 436 N -3.72 4.22 0.06 0.44 1.02 -1.26 -4.75 119.74 115.75 3iw4 s LYS 436 Ca 0.36 1.75 -0.18 0.00 0.02 0.00 0.00 55.97 57.92 3iw4 s LYS 436 Cb -0.10 -2.76 -0.07 0.00 -0.52 0.00 0.00 37.83 34.38 3iw4 s LYS 436 CO 0.30 -0.15 1.30 1.49 -0.92 0.00 0.00 175.35 177.36 3iw4 h GLU 437 N 2.86 -0.29 -0.95 1.68 4.81 -1.97 0.54 114.58 121.27 3iw4 h GLU 437 Ca -0.48 0.02 0.22 0.00 -0.13 0.00 0.00 59.36 58.99 3iw4 h GLU 437 Cb 1.22 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 30.60 3iw4 h GLU 437 CO 0.63 -0.19 0.62 -1.35 -0.73 0.00 0.00 179.01 177.99 3iw4 h PRO 438 N -0.30 0.41 0.05 0.92 0.11 -1.99 0.77 132.00 131.97 3iw4 h PRO 438 Ca 0.02 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 3iw4 h PRO 438 Cb 0.36 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.38 3iw4 h PRO 438 CO -0.24 0.27 -0.03 0.37 -0.21 0.00 0.00 178.00 178.16 3iw4 h GLN 439 N 0.42 -0.07 0.00 1.05 4.15 -1.70 -2.75 115.11 116.21 3iw4 h GLN 439 Ca 0.51 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.92 3iw4 h GLN 439 Cb 1.25 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.95 3iw4 h GLN 439 CO -0.21 0.37 -0.07 0.00 -1.93 0.00 0.00 178.83 176.99 3iw4 h ALA 440 N 0.37 1.19 -0.60 3.38 0.00 0.38 0.15 119.26 124.13 3iw4 h ALA 440 Ca -0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3iw4 h ALA 440 Cb 0.47 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3iw4 h ALA 440 CO 0.01 0.08 0.02 0.28 0.00 0.00 0.00 179.25 179.65 3iw4 h VAL 441 N 0.00 1.26 0.85 0.00 2.07 0.42 -2.60 116.25 118.25 3iw4 h VAL 441 Ca -0.00 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 3iw4 h VAL 441 Cb 0.27 0.80 0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3iw4 h VAL 441 CO 0.01 0.41 -0.41 0.15 0.02 0.00 0.00 177.57 177.75 3iw4 h PHE 442 N 0.94 -1.06 -0.22 1.57 3.57 -0.42 0.34 116.94 121.67 3iw4 h PHE 442 Ca 0.17 -0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.70 3iw4 h PHE 442 Cb 0.53 0.35 -0.07 0.00 2.79 0.00 0.00 35.95 39.55 3iw4 h PHE 442 CO 0.04 -0.66 -0.25 1.88 -2.23 0.00 0.00 178.31 177.09 3iw4 h TYR 443 N -1.29 -0.68 -0.83 0.41 0.05 -1.54 0.34 116.97 113.43 3iw4 h TYR 443 Ca -0.12 0.04 0.19 0.00 0.05 0.00 0.00 58.73 58.89 3iw4 h TYR 443 Cb 0.88 0.33 -0.12 0.00 1.01 0.00 0.00 36.73 38.83 3iw4 h TYR 443 CO -0.00 -0.33 0.31 0.00 -1.05 0.00 0.00 178.16 177.09 3iw4 h ALA 444 N 0.72 1.22 -0.11 3.88 0.00 -1.32 -1.84 119.26 121.82 3iw4 h ALA 444 Ca 0.13 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.17 3iw4 h ALA 444 Cb 0.47 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3iw4 h ALA 444 CO -0.37 -0.31 -0.03 0.00 0.00 0.00 0.00 179.25 178.54 3iw4 h ALA 445 N 1.66 0.15 -0.04 0.00 0.00 0.13 -2.52 119.26 118.63 3iw4 h ALA 445 Ca 0.49 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 3iw4 h ALA 445 Cb 0.87 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3iw4 h ALA 445 CO -0.51 -0.12 -0.09 0.93 0.00 0.00 0.00 179.25 179.47 3iw4 h GLU 446 N -0.12 0.06 -0.14 0.00 5.08 -0.43 -1.06 114.58 117.97 3iw4 h GLU 446 Ca 0.03 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3iw4 h GLU 446 Cb 0.44 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3iw4 h GLU 446 CO 0.01 0.15 -0.03 0.82 -1.00 0.00 0.00 179.01 178.95 3iw4 h ILE 447 N 0.06 1.29 -0.82 3.13 2.04 -1.28 -3.21 117.51 118.72 3iw4 h ILE 447 Ca 0.01 -0.99 0.20 0.00 1.00 0.00 0.00 64.86 65.09 3iw4 h ILE 447 Cb 0.19 1.67 -0.13 0.00 -0.74 0.00 0.00 36.82 37.81 3iw4 h ILE 447 CO 0.01 0.29 0.16 0.77 0.00 0.00 0.00 178.15 179.38 3iw4 h SER 448 N -0.04 -0.09 -0.35 1.72 4.64 -0.74 0.85 113.55 119.53 3iw4 h SER 448 Ca 0.03 0.19 0.08 0.00 -0.47 0.00 0.00 61.79 61.62 3iw4 h SER 448 Cb 0.46 0.27 -0.08 0.00 -0.31 0.00 0.00 62.40 62.74 3iw4 h SER 448 CO 0.01 -0.13 -0.21 0.40 -0.87 0.00 0.00 176.83 176.03 3iw4 h ILE 449 N 0.20 0.42 -0.49 0.95 1.08 -1.53 0.27 117.51 118.40 3iw4 h ILE 449 Ca 0.49 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 65.04 3iw4 h ILE 449 Cb 0.92 0.42 -0.10 0.00 -3.07 0.00 0.00 36.82 34.99 3iw4 h ILE 449 CO -0.63 0.00 -0.42 1.23 -0.69 0.00 0.00 178.15 177.64 3iw4 h GLY 450 N -0.15 -0.48 0.81 5.37 0.00 -0.94 -0.35 103.07 107.32 3iw4 h GLY 450 Ca 0.18 0.54 0.02 0.00 0.00 0.00 0.00 47.33 48.07 3iw4 h GLY 450 CO -0.45 -0.17 0.03 1.41 0.00 0.00 0.00 176.54 177.36 3iw4 h LEU 451 N -0.27 0.00 -0.22 3.11 3.38 -0.73 0.61 115.31 121.19 3iw4 h LEU 451 Ca 0.16 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.19 3iw4 h LEU 451 Cb 0.57 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.29 3iw4 h LEU 451 CO -0.63 0.03 -0.50 -0.26 0.09 0.00 0.00 178.44 177.17 3iw4 h PHE 452 N 0.10 -1.50 -0.37 1.13 0.04 -0.82 0.33 116.94 115.84 3iw4 h PHE 452 Ca 0.07 0.06 0.05 0.00 2.80 0.00 0.00 57.97 60.96 3iw4 h PHE 452 Cb 0.07 0.68 -0.08 0.00 2.20 0.00 0.00 35.95 38.82 3iw4 h PHE 452 CO -0.13 -0.47 -0.51 0.35 -0.60 0.00 0.00 178.31 176.94 3iw4 h PHE 453 N -0.46 -1.54 -0.44 -0.55 3.57 -0.22 0.40 116.94 117.70 3iw4 h PHE 453 Ca 0.04 0.08 0.08 0.00 3.53 0.00 0.00 57.97 61.70 3iw4 h PHE 453 Cb 0.58 0.72 -0.07 0.00 2.79 0.00 0.00 35.95 39.97 3iw4 h PHE 453 CO -0.63 -0.48 -0.03 -0.07 -2.23 0.00 0.00 178.31 174.87 3iw4 h LEU 454 N -0.40 -0.24 -0.72 0.59 3.38 -0.33 -2.72 115.31 114.87 3iw4 h LEU 454 Ca 0.09 0.11 -0.12 0.00 0.09 0.00 0.00 57.88 58.06 3iw4 h LEU 454 Cb 0.61 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 3iw4 h LEU 454 CO -0.57 -0.08 -0.27 0.45 0.09 0.00 0.00 178.44 178.06 3iw4 h HIS 455 N 0.08 0.78 -0.24 1.13 3.86 0.42 -1.32 115.15 119.85 3iw4 h HIS 455 Ca 0.22 -0.19 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3iw4 h HIS 455 Cb 0.32 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.60 3iw4 h HIS 455 CO -0.31 0.88 0.15 -0.22 0.86 0.00 0.00 177.93 179.29 3iw4 h LYS 456 N 0.59 0.32 -0.64 2.45 3.64 -0.79 0.11 116.57 122.25 3iw4 h LYS 456 Ca 0.08 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3iw4 h LYS 456 Cb 0.77 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3iw4 h LYS 456 CO 0.06 0.23 0.00 0.54 -2.27 0.00 0.00 179.45 178.01 3iw4 n ARG 457 N -4.49 2.01 -3.61 1.90 5.12 -0.76 -4.88 116.66 111.96 3iw4 n ARG 457 Ca 0.01 -0.97 -0.21 0.00 -1.93 0.00 0.00 57.85 54.75 3iw4 n ARG 457 Cb 0.08 -1.55 0.06 0.00 -1.16 0.00 0.00 32.46 29.89 3iw4 n ARG 457 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3iw4 n GLY 458 N 0.45 -0.35 3.08 -0.13 0.00 0.38 -4.67 105.19 103.95 3iw4 n GLY 458 Ca 0.09 0.13 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 3iw4 n GLY 458 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iw4 s ILE 459 N -3.50 1.25 -0.18 -0.61 1.01 -0.57 0.13 121.20 118.73 3iw4 s ILE 459 Ca 0.10 -0.59 -0.08 0.00 0.00 0.00 0.00 60.65 60.08 3iw4 s ILE 459 Cb -0.05 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 3iw4 s ILE 459 CO 0.78 0.37 0.09 -0.63 0.00 0.00 0.00 174.94 175.55 3iw4 s ILE 460 N 0.30 5.07 -0.09 2.92 1.01 -0.70 -3.47 121.20 126.24 3iw4 s ILE 460 Ca -0.08 0.07 -0.15 0.00 0.00 0.00 0.00 60.65 60.48 3iw4 s ILE 460 Cb -0.13 -3.29 -0.12 0.00 0.01 0.00 0.00 42.46 38.93 3iw4 s ILE 460 CO 0.03 0.47 0.52 0.22 0.00 0.00 0.00 174.94 176.17 3iw4 h TYR 461 N 6.52 -0.10 -0.25 3.97 3.20 -1.91 -0.35 116.97 128.05 3iw4 h TYR 461 Ca -0.40 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.36 3iw4 h TYR 461 Cb 1.17 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.43 3iw4 h TYR 461 CO 0.58 0.32 -0.10 0.54 -1.64 0.00 0.00 178.16 177.86 3iw4 n ARG 462 N -4.80 -0.74 -1.10 1.82 1.74 -1.26 -3.33 116.66 108.99 3iw4 n ARG 462 Ca -0.06 0.56 -0.05 0.00 -0.77 0.00 0.00 57.85 57.54 3iw4 n ARG 462 Cb 0.22 -4.35 -0.05 0.00 -1.02 0.00 0.00 32.46 27.26 3iw4 n ARG 462 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3iw4 n ASP 463 N 0.11 -0.58 -4.67 0.55 2.03 -1.26 -4.49 116.55 108.25 3iw4 n ASP 463 Ca -0.05 -2.00 -0.42 0.00 0.52 0.00 0.00 54.79 52.84 3iw4 n ASP 463 Cb 0.27 0.17 -0.03 0.00 -0.72 0.00 0.00 41.12 40.81 3iw4 n ASP 463 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 3iw4 s LEU 464 N 0.00 4.40 -0.01 -2.67 2.96 -1.26 -4.83 118.68 117.27 3iw4 s LEU 464 Ca 0.07 2.62 -0.28 0.00 -0.22 0.00 0.00 54.13 56.32 3iw4 s LEU 464 Cb 0.08 -3.54 0.10 0.00 0.50 0.00 0.00 46.19 43.32 3iw4 s LEU 464 CO -0.04 -1.01 0.81 -1.59 -1.32 0.00 0.00 176.35 173.21 3iw4 s LYS 465 N 3.81 0.91 0.33 1.98 -2.85 -1.26 -4.87 119.74 117.78 3iw4 s LYS 465 Ca 0.83 -0.13 0.09 0.00 -1.00 0.00 0.00 55.97 55.77 3iw4 s LYS 465 Cb -0.42 0.42 0.86 0.00 -2.06 0.00 0.00 37.83 36.64 3iw4 s LYS 465 CO 0.38 -0.36 1.75 -0.07 0.10 0.00 0.00 175.35 177.16 3iw4 h LEU 466 N 2.31 0.68 -1.85 2.77 3.38 -1.93 -1.49 115.31 119.19 3iw4 h LEU 466 Ca -0.25 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3iw4 h LEU 466 Cb 1.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.97 3iw4 h LEU 466 CO 0.34 0.17 -0.14 0.44 0.09 0.00 0.00 178.44 179.34 3iw4 h ASP 467 N 0.62 0.00 -0.02 -0.43 3.32 -1.96 -1.48 116.42 116.46 3iw4 h ASP 467 Ca 0.61 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.66 3iw4 h ASP 467 Cb 1.14 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3iw4 h ASP 467 CO -0.41 0.14 0.00 0.59 -1.72 0.00 0.00 179.24 177.83 3iw4 n ASN 468 N -3.77 0.88 -4.16 6.45 4.13 -0.56 -4.80 115.26 113.43 3iw4 n ASN 468 Ca -0.02 -1.34 -0.31 0.00 1.68 0.00 0.00 54.58 54.60 3iw4 n ASN 468 Cb 0.24 -0.01 -0.17 0.00 -1.54 0.00 0.00 39.78 38.31 3iw4 n ASN 468 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3iw4 s VAL 469 N -1.98 1.89 0.46 2.41 1.01 -0.56 -0.46 120.40 123.17 3iw4 s VAL 469 Ca 0.40 -0.90 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3iw4 s VAL 469 Cb 0.20 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 3iw4 s VAL 469 CO 0.33 0.52 0.06 0.23 0.00 0.00 0.00 175.10 176.25 3iw4 n MET 470 N 3.83 0.69 -5.03 2.72 2.81 -0.43 0.67 117.12 122.38 3iw4 n MET 470 Ca -0.20 -3.57 -0.30 0.00 -1.81 0.00 0.00 57.70 51.82 3iw4 n MET 470 Cb 0.52 1.38 -0.17 0.00 -0.71 0.00 0.00 33.22 34.24 3iw4 n MET 470 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 3iw4 s LEU 471 N 0.00 1.96 1.09 4.03 1.43 -0.39 -1.95 118.68 124.85 3iw4 s LEU 471 Ca 0.09 -0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 52.54 3iw4 s LEU 471 Cb 0.00 -1.22 0.25 0.00 0.03 0.00 0.00 46.19 45.25 3iw4 s LEU 471 CO 0.06 0.14 1.23 1.51 0.23 0.00 0.00 176.35 179.52 3iw4 s ASP 472 N 0.34 1.96 0.27 2.29 1.47 -0.84 -1.18 116.67 120.97 3iw4 s ASP 472 Ca -0.15 0.41 -0.00 0.00 1.18 0.00 0.00 52.55 53.99 3iw4 s ASP 472 Cb -0.16 -0.52 0.60 0.00 -0.34 0.00 0.00 42.92 42.50 3iw4 s ASP 472 CO 0.06 -3.46 1.70 0.28 0.68 0.00 0.00 175.17 174.43 3iw4 h SER 473 N -2.14 0.26 0.36 2.11 0.02 -1.94 0.20 113.55 112.42 3iw4 h SER 473 Ca -0.44 0.14 -0.04 0.00 -0.84 0.00 0.00 61.79 60.61 3iw4 h SER 473 Cb 1.26 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 63.93 3iw4 h SER 473 CO 0.34 0.03 -0.19 -0.33 -1.14 0.00 0.00 176.83 175.54 3iw4 h GLU 474 N 0.39 0.00 0.00 3.45 4.39 -1.94 -3.36 114.58 117.52 3iw4 h GLU 474 Ca 0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.19 3iw4 h GLU 474 Cb 0.87 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.52 3iw4 h GLU 474 CO -0.49 0.19 0.00 0.41 -1.16 0.00 0.00 179.01 177.96 3iw4 n GLY 475 N -0.67 1.11 3.93 -3.84 0.00 0.72 -4.23 105.19 102.21 3iw4 n GLY 475 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 3iw4 n GLY 475 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3iw4 s HIS 476 N -2.00 3.21 0.18 1.61 3.76 -1.26 -4.75 115.29 116.03 3iw4 s HIS 476 Ca 0.00 0.47 -0.28 0.00 -0.15 0.00 0.00 55.06 55.10 3iw4 s HIS 476 Cb 0.00 -2.63 -0.08 0.00 1.11 0.00 0.00 32.58 30.98 3iw4 s HIS 476 CO 0.00 -0.71 0.89 0.42 -0.85 0.00 0.00 174.74 174.49 3iw4 s ILE 477 N -2.85 4.29 -0.13 0.60 -1.09 -1.26 -1.98 121.20 118.78 3iw4 s ILE 477 Ca 0.53 1.94 -0.01 0.00 -2.23 0.00 0.00 60.65 60.88 3iw4 s ILE 477 Cb -0.10 -4.26 0.03 0.00 -1.58 0.00 0.00 42.46 36.55 3iw4 s ILE 477 CO 0.42 0.46 -0.05 -0.54 -1.23 0.00 0.00 174.94 174.00 3iw4 s LYS 478 N -0.84 1.33 -0.08 2.79 -0.14 -0.82 -4.28 119.74 117.70 3iw4 s LYS 478 Ca 0.41 -0.29 -0.20 0.00 -1.36 0.00 0.00 55.97 54.53 3iw4 s LYS 478 Cb -0.24 -1.64 -0.04 0.00 -1.68 0.00 0.00 37.83 34.22 3iw4 s LYS 478 CO 0.29 -0.34 0.56 0.42 -0.76 0.00 0.00 175.35 175.53 3iw4 s ILE 479 N 1.73 5.10 0.44 2.17 1.01 0.18 -1.32 121.20 130.52 3iw4 s ILE 479 Ca 0.04 1.15 0.01 0.00 0.00 0.00 0.00 60.65 61.84 3iw4 s ILE 479 Cb -0.13 -3.90 -0.00 0.00 0.01 0.00 0.00 42.46 38.43 3iw4 s ILE 479 CO -0.08 0.32 0.02 0.00 0.00 0.00 0.00 174.94 175.21 3iw4 n ALA 480 N 3.51 0.41 -2.50 9.38 0.00 0.39 -1.57 120.51 130.14 3iw4 n ALA 480 Ca -0.05 -2.03 -0.05 0.00 0.00 0.00 0.00 53.44 51.31 3iw4 n ALA 480 Cb 0.51 1.15 -0.04 0.00 0.00 0.00 0.00 19.45 21.08 3iw4 n ALA 480 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3iw4 n ASP 481 N -1.33 -2.21 -0.45 0.00 -0.08 -1.26 -4.83 116.55 106.39 3iw4 n ASP 481 Ca -0.17 1.41 0.07 0.00 -1.51 0.00 0.00 54.79 54.60 3iw4 n ASP 481 Cb 0.58 -5.12 0.18 0.00 2.34 0.00 0.00 41.12 39.10 3iw4 n ASP 481 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3iw4 n PHE 482 N 1.68 0.00 0.24 -0.67 3.01 -1.26 -4.81 117.46 115.66 3iw4 n PHE 482 Ca -0.33 -1.32 0.04 0.00 1.01 0.00 0.00 57.45 56.84 3iw4 n PHE 482 Cb 0.51 -0.22 0.16 0.00 -0.01 0.00 0.00 39.48 39.92 3iw4 n PHE 482 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3iw4 n GLY 483 N -1.19 -0.75 0.02 1.37 0.00 -1.26 -3.28 105.19 100.10 3iw4 n GLY 483 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3iw4 n GLY 483 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3iw4 n MET 484 N -1.52 0.44 -1.18 1.61 2.81 -1.26 -4.79 117.12 113.23 3iw4 n MET 484 Ca 0.02 -0.44 -0.36 0.00 -1.81 0.00 0.00 57.70 55.11 3iw4 n MET 484 Cb 0.08 -0.92 0.07 0.00 -0.71 0.00 0.00 33.22 31.74 3iw4 n MET 484 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3iw4 s LYS 486 N -2.76 2.97 0.65 0.00 2.47 -0.14 -4.96 119.74 117.98 3iw4 s LYS 486 Ca 0.62 -0.85 -0.07 0.00 -1.56 0.00 0.00 55.97 54.11 3iw4 s LYS 486 Cb -0.33 -2.26 0.03 0.00 -1.46 0.00 0.00 37.83 33.81 3iw4 s LYS 486 CO 0.61 0.16 0.98 -1.21 0.16 0.00 0.00 175.35 176.06 3iw4 s GLU 487 N 0.38 2.66 -1.45 4.03 2.02 -1.26 -1.72 118.70 123.35 3iw4 s GLU 487 Ca -0.18 0.02 -0.09 0.00 0.02 0.00 0.00 54.97 54.73 3iw4 s GLU 487 Cb -0.18 -2.18 0.04 0.00 0.10 0.00 0.00 34.13 31.91 3iw4 s GLU 487 CO 0.08 -0.95 0.92 0.72 0.02 0.00 0.00 175.26 176.05 3iw4 n HIS 488 N -2.79 -2.40 -3.08 1.61 8.25 -0.63 -4.91 115.22 111.27 3iw4 n HIS 488 Ca 0.06 0.81 -0.40 0.00 -0.26 0.00 0.00 57.72 57.93 3iw4 n HIS 488 Cb 0.58 -4.41 -0.01 0.00 1.12 0.00 0.00 29.99 27.28 3iw4 n HIS 488 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3iw4 n MET 489 N -4.56 4.12 -3.64 -0.41 2.81 0.35 -4.84 117.12 110.95 3iw4 n MET 489 Ca -0.01 -4.58 -0.08 0.00 -1.81 0.00 0.00 57.70 51.22 3iw4 n MET 489 Cb 0.56 -2.46 -0.09 0.00 -0.71 0.00 0.00 33.22 30.52 3iw4 n MET 489 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 3iw4 s MET 490 N -2.75 0.35 0.00 0.03 -1.94 -1.26 -4.33 119.30 109.39 3iw4 s MET 490 Ca 0.33 1.05 0.00 0.00 -1.71 0.00 0.00 55.69 55.36 3iw4 s MET 490 Cb 0.07 0.34 0.00 0.00 2.01 0.00 0.00 34.83 37.25 3iw4 s MET 490 CO 0.09 -0.27 0.00 0.41 -0.01 0.00 0.00 175.02 175.24 3iw4 n GLY 492 N 5.40 2.21 3.78 -0.03 0.00 -1.26 -4.88 105.19 110.40 3iw4 n GLY 492 Ca -0.08 -0.28 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 3iw4 n GLY 492 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3iw4 s VAL 493 N 0.00 3.44 0.09 1.61 1.01 -1.26 -5.08 120.40 120.21 3iw4 s VAL 493 Ca 0.00 0.68 -0.11 0.00 0.00 0.00 0.00 61.98 62.56 3iw4 s VAL 493 Cb 0.00 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.18 3iw4 s VAL 493 CO 0.00 -0.40 0.24 0.42 0.00 0.00 0.00 175.10 175.36 3iw4 s THR 494 N -2.36 0.12 0.03 3.92 -4.23 -1.26 -4.67 115.64 107.20 3iw4 s THR 494 Ca 0.66 -1.01 -0.00 0.00 -1.18 0.00 0.00 61.69 60.16 3iw4 s THR 494 Cb -0.19 -1.26 -0.03 0.00 1.34 0.00 0.00 72.50 72.36 3iw4 s THR 494 CO 0.39 -0.56 -0.04 0.28 -0.54 0.00 0.00 174.62 174.16 3iw4 s THR 495 N -3.72 0.21 -0.26 3.99 -1.32 -1.11 -4.85 115.64 108.58 3iw4 s THR 495 Ca 0.04 -1.25 0.10 0.00 -1.21 0.00 0.00 61.69 59.37 3iw4 s THR 495 Cb 0.04 -0.74 0.47 0.00 -1.51 0.00 0.00 72.50 70.76 3iw4 s THR 495 CO -0.11 -0.66 1.36 0.54 -2.21 0.00 0.00 174.62 173.55 3iw4 n ARG 496 N 1.06 1.73 -2.75 7.08 1.74 -1.26 -1.05 116.66 123.21 3iw4 n ARG 496 Ca -0.20 -3.24 -0.43 0.00 -0.77 0.00 0.00 57.85 53.21 3iw4 n ARG 496 Cb 0.57 -1.73 -0.03 0.00 -1.02 0.00 0.00 32.46 30.25 3iw4 n ARG 496 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3iw4 s GLU 497 N -3.24 4.06 -0.20 5.56 2.12 -1.26 -4.94 118.70 120.80 3iw4 s GLU 497 Ca 0.42 0.95 -0.29 0.00 0.36 0.00 0.00 54.97 56.41 3iw4 s GLU 497 Cb 0.39 -3.72 -0.02 0.00 0.26 0.00 0.00 34.13 31.05 3iw4 s GLU 497 CO -0.03 -0.77 1.37 0.12 -0.54 0.00 0.00 175.26 175.40 3iw4 s PHE 498 N 3.32 2.60 -0.24 5.30 5.36 -1.26 -5.00 117.98 128.06 3iw4 s PHE 498 Ca 0.40 0.81 -0.33 0.00 -0.96 0.00 0.00 56.93 56.86 3iw4 s PHE 498 Cb -0.13 -3.73 0.16 0.00 -0.34 0.00 0.00 43.02 38.98 3iw4 s PHE 498 CO 0.13 -2.13 1.28 0.00 -1.46 0.00 0.00 175.22 173.04 3iw4 n GLY 500 N 0.24 0.97 3.63 0.00 0.00 -1.26 -4.97 105.19 103.80 3iw4 n GLY 500 Ca 0.00 -2.05 -0.42 0.00 0.00 0.00 0.00 46.02 43.55 3iw4 n GLY 500 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iw4 s THR 501 N -1.05 4.79 0.07 2.61 2.01 -1.26 -4.97 115.64 117.83 3iw4 s THR 501 Ca 0.00 1.49 -0.13 0.00 0.31 0.00 0.00 61.69 63.36 3iw4 s THR 501 Cb 0.00 -4.16 -0.03 0.00 0.01 0.00 0.00 72.50 68.32 3iw4 s THR 501 CO 0.00 -0.17 0.78 -2.65 -0.69 0.00 0.00 174.62 171.89 3iw4 n PRO 502 N 6.16 -0.18 0.21 4.92 -0.02 -1.26 0.84 135.00 145.67 3iw4 n PRO 502 Ca 0.06 0.77 0.17 0.00 -2.02 0.00 0.00 63.50 62.47 3iw4 n PRO 502 Cb 0.48 -1.13 0.71 0.00 -0.02 0.00 0.00 33.50 33.53 3iw4 n PRO 502 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3iw4 h ASP 503 N 0.00 0.00 -0.03 2.55 5.19 -1.97 -1.18 116.42 120.97 3iw4 h ASP 503 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3iw4 h ASP 503 Cb 0.17 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.68 3iw4 h ASP 503 CO -0.38 0.00 -0.04 -1.22 -3.12 0.00 0.00 179.24 174.48 3iw4 n TYR 504 N -3.21 0.00 -2.63 4.55 4.02 0.25 -4.92 117.16 115.21 3iw4 n TYR 504 Ca 0.03 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.52 3iw4 n TYR 504 Cb 0.59 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.85 3iw4 n TYR 504 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 3iw4 s ILE 505 N -1.97 3.82 0.69 -0.72 1.01 -0.45 -4.09 121.20 119.48 3iw4 s ILE 505 Ca 0.26 1.83 -0.13 0.00 0.00 0.00 0.00 60.65 62.61 3iw4 s ILE 505 Cb 0.19 -4.16 0.01 0.00 0.01 0.00 0.00 42.46 38.51 3iw4 s ILE 505 CO 0.31 0.43 1.08 0.00 0.00 0.00 0.00 174.94 176.76 3iw4 s ALA 506 N -1.18 2.51 0.19 9.38 0.00 -1.26 -4.97 121.76 126.44 3iw4 s ALA 506 Ca 0.43 0.32 -0.15 0.00 0.00 0.00 0.00 51.96 52.55 3iw4 s ALA 506 Cb -0.28 -3.25 0.18 0.00 0.00 0.00 0.00 23.12 19.76 3iw4 s ALA 506 CO 0.36 -1.31 1.64 -1.35 0.00 0.00 0.00 175.76 175.09 3iw4 h PRO 507 N -0.41 -0.02 -0.97 0.00 0.11 -1.86 -2.78 132.00 126.07 3iw4 h PRO 507 Ca -0.45 0.00 0.14 0.00 0.11 0.00 0.00 66.00 65.80 3iw4 h PRO 507 Cb 1.23 0.01 -0.09 0.00 0.11 0.00 0.00 31.00 32.25 3iw4 h PRO 507 CO 0.55 -0.02 0.59 1.05 -0.21 0.00 0.00 178.00 179.96 3iw4 h GLU 508 N -0.03 0.86 -0.71 1.05 9.09 -1.93 0.11 114.58 123.02 3iw4 h GLU 508 Ca 0.26 -0.05 0.01 0.00 0.05 0.00 0.00 59.36 59.63 3iw4 h GLU 508 Cb 0.42 -0.19 -0.04 0.00 -1.65 0.00 0.00 28.75 27.29 3iw4 h GLU 508 CO -0.57 0.57 0.47 0.82 0.05 0.00 0.00 179.01 180.34 3iw4 h ILE 509 N 0.88 1.16 0.00 -1.06 2.04 -1.74 -0.20 117.51 118.60 3iw4 h ILE 509 Ca 0.50 -0.32 -0.07 0.00 1.00 0.00 0.00 64.86 65.97 3iw4 h ILE 509 Cb 0.58 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3iw4 h ILE 509 CO -0.30 0.17 -0.28 0.40 0.00 0.00 0.00 178.15 178.14 3iw4 h ILE 510 N 0.94 1.54 -0.21 -0.67 2.04 -0.86 -2.70 117.51 117.60 3iw4 h ILE 510 Ca 0.27 -1.98 0.06 0.00 1.00 0.00 0.00 64.86 64.21 3iw4 h ILE 510 Cb -0.07 2.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.79 3iw4 h ILE 510 CO -0.06 0.54 0.22 0.00 0.00 0.00 0.00 178.15 178.85 3iw4 h ALA 511 N 0.25 1.88 -0.00 1.87 0.00 -1.11 -3.44 119.26 118.70 3iw4 h ALA 511 Ca -0.04 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3iw4 h ALA 511 Cb 1.04 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.85 3iw4 h ALA 511 CO 0.06 -0.33 -0.00 0.66 0.00 0.00 0.00 179.25 179.64 3iw4 n TYR 512 N -3.87 -0.00 -1.71 0.00 4.01 -0.18 -5.04 117.16 110.37 3iw4 n TYR 512 Ca 0.02 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.37 3iw4 n TYR 512 Cb 0.35 -0.54 0.04 0.00 -0.31 0.00 0.00 39.34 38.88 3iw4 n TYR 512 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 3iw4 n GLN 513 N -2.87 1.58 -1.81 -0.72 6.02 -0.65 -4.87 117.38 114.07 3iw4 n GLN 513 Ca -0.00 0.58 -0.42 0.00 -0.01 0.00 0.00 57.00 57.15 3iw4 n GLN 513 Cb 0.03 -2.44 -0.02 0.00 1.02 0.00 0.00 30.24 28.83 3iw4 n GLN 513 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 3iw4 s PRO 514 N -2.69 4.15 0.11 -1.09 0.02 -1.26 -4.54 135.00 129.70 3iw4 s PRO 514 Ca 0.70 2.54 0.03 0.00 0.02 0.00 0.00 61.00 64.28 3iw4 s PRO 514 Cb -0.44 -3.05 -0.04 0.00 0.02 0.00 0.00 34.50 30.99 3iw4 s PRO 514 CO 0.51 -0.63 -0.08 1.52 -0.33 0.00 0.00 177.00 177.99 3iw4 s TYR 515 N 0.29 1.02 0.00 6.54 -0.85 -0.22 -4.84 117.35 119.30 3iw4 s TYR 515 Ca 0.65 -0.82 0.00 0.00 -0.52 0.00 0.00 57.07 56.38 3iw4 s TYR 515 Cb -0.47 -0.56 0.00 0.00 0.38 0.00 0.00 41.96 41.31 3iw4 s TYR 515 CO 0.43 -0.06 0.00 0.41 -1.52 0.00 0.00 175.55 174.82 3iw4 n GLY 516 N 0.02 3.69 0.00 5.49 0.00 -1.26 -2.74 105.19 110.39 3iw4 n GLY 516 Ca -0.12 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 43.92 3iw4 n GLY 516 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3iw4 n LYS 517 N 0.00 0.00 -0.30 1.61 4.81 -1.26 -3.03 118.16 119.99 3iw4 n LYS 517 Ca 0.00 0.18 0.04 0.00 -0.87 0.00 0.00 58.31 57.66 3iw4 n LYS 517 Cb 0.00 -1.58 0.18 0.00 0.02 0.00 0.00 35.03 33.66 3iw4 n LYS 517 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3iw4 h SER 518 N 0.00 0.68 0.09 3.14 4.64 -1.93 -2.92 113.55 117.25 3iw4 h SER 518 Ca 0.00 0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.36 3iw4 h SER 518 Cb 0.15 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.16 3iw4 h SER 518 CO 0.00 0.37 -0.08 -0.37 -0.87 0.00 0.00 176.83 175.89 3iw4 h VAL 519 N 0.79 1.02 -0.30 0.95 -1.51 -1.93 -1.23 116.25 114.04 3iw4 h VAL 519 Ca 0.42 -0.27 -0.11 0.00 -1.23 0.00 0.00 66.70 65.51 3iw4 h VAL 519 Cb 0.42 1.15 -0.01 0.00 -2.13 0.00 0.00 31.29 30.71 3iw4 h VAL 519 CO -0.26 0.08 -0.26 0.44 -1.23 0.00 0.00 177.57 176.33 3iw4 h ASP 520 N 0.00 0.59 0.34 4.19 3.32 -1.79 -0.65 116.42 122.42 3iw4 h ASP 520 Ca -0.00 -0.21 -0.16 0.00 0.02 0.00 0.00 57.03 56.68 3iw4 h ASP 520 Cb 0.14 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 3iw4 h ASP 520 CO 0.01 0.84 -0.63 -0.50 -1.72 0.00 0.00 179.24 177.23 3iw4 h TRP 521 N 0.51 0.37 0.37 4.55 4.06 -1.32 0.48 115.95 124.97 3iw4 h TRP 521 Ca 0.07 -0.15 -0.02 0.00 2.06 0.00 0.00 58.89 60.86 3iw4 h TRP 521 Cb 0.72 -0.06 0.00 0.00 -1.00 0.00 0.00 29.16 28.82 3iw4 h TRP 521 CO 0.03 0.84 -0.18 2.35 -3.56 0.00 0.00 178.44 177.92 3iw4 h TRP 522 N 0.21 -0.46 -0.96 0.49 2.91 -1.23 -0.92 115.95 115.98 3iw4 h TRP 522 Ca -0.01 -0.01 0.04 0.00 1.13 0.00 0.00 58.89 60.04 3iw4 h TRP 522 Cb 1.16 0.15 -0.06 0.00 -0.51 0.00 0.00 29.16 29.90 3iw4 h TRP 522 CO 0.03 -0.23 0.63 0.00 -1.03 0.00 0.00 178.44 177.83 3iw4 h ALA 523 N 0.02 1.39 -0.82 2.65 0.00 -0.77 0.19 119.26 121.92 3iw4 h ALA 523 Ca -0.05 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3iw4 h ALA 523 Cb 0.43 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 3iw4 h ALA 523 CO 0.08 0.50 0.45 -0.92 0.00 0.00 0.00 179.25 179.37 3iw4 h TYR 524 N 1.20 1.11 -0.40 0.00 3.20 -0.83 0.68 116.97 121.92 3iw4 h TYR 524 Ca 0.39 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.22 3iw4 h TYR 524 Cb 0.04 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 37.93 3iw4 h TYR 524 CO -0.00 0.76 0.19 0.78 -1.64 0.00 0.00 178.16 178.25 3iw4 h GLY 525 N 1.16 0.63 0.94 1.82 0.00 0.72 0.43 103.07 108.77 3iw4 h GLY 525 Ca 0.29 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.25 3iw4 h GLY 525 CO -0.05 0.30 0.06 -2.08 0.00 0.00 0.00 176.54 174.77 3iw4 h VAL 526 N 0.51 1.24 -0.32 4.60 2.07 -0.07 0.16 116.25 124.45 3iw4 h VAL 526 Ca 0.14 -0.88 -0.09 0.00 0.82 0.00 0.00 66.70 66.69 3iw4 h VAL 526 Cb 0.14 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3iw4 h VAL 526 CO -0.02 0.30 -0.15 0.25 0.02 0.00 0.00 177.57 177.98 3iw4 h LEU 527 N 0.51 0.68 -1.24 2.57 6.46 -0.82 -2.13 115.31 121.33 3iw4 h LEU 527 Ca 0.12 -0.40 0.02 0.00 -0.12 0.00 0.00 57.88 57.50 3iw4 h LEU 527 Cb 0.38 -0.19 -0.04 0.00 -0.73 0.00 0.00 40.66 40.08 3iw4 h LEU 527 CO 0.01 0.93 0.52 0.25 -0.62 0.00 0.00 178.44 179.53 3iw4 h LEU 528 N 0.42 0.87 -0.60 2.25 6.46 0.20 -1.56 115.31 123.35 3iw4 h LEU 528 Ca 0.07 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.77 3iw4 h LEU 528 Cb 0.67 -0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 40.37 3iw4 h LEU 528 CO 0.05 0.61 0.19 0.22 -0.62 0.00 0.00 178.44 178.89 3iw4 h TYR 529 N 1.01 0.97 0.08 1.25 5.03 -0.35 -2.21 116.97 122.75 3iw4 h TYR 529 Ca 0.30 -0.10 -0.00 0.00 2.58 0.00 0.00 58.73 61.51 3iw4 h TYR 529 Cb -0.04 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 37.96 3iw4 h TYR 529 CO -0.00 0.80 -0.04 0.93 -1.32 0.00 0.00 178.16 178.53 3iw4 h GLU 530 N 0.86 -0.11 -0.57 1.82 5.08 -0.66 0.53 114.58 121.53 3iw4 h GLU 530 Ca 0.19 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.62 3iw4 h GLU 530 Cb 0.28 0.02 -0.08 0.00 0.50 0.00 0.00 28.75 29.47 3iw4 h GLU 530 CO -0.01 0.03 -0.49 0.52 -1.00 0.00 0.00 179.01 178.06 3iw4 h MET 531 N -0.23 -0.19 -0.65 2.33 2.86 -1.28 1.77 114.93 119.54 3iw4 h MET 531 Ca -0.01 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.65 3iw4 h MET 531 Cb 0.19 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 3iw4 h MET 531 CO 0.02 -0.13 0.43 -0.07 1.06 0.00 0.00 176.91 178.22 3iw4 h LEU 532 N -0.20 0.74 -0.17 1.22 3.38 -0.72 -2.02 115.31 117.55 3iw4 h LEU 532 Ca 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3iw4 h LEU 532 Cb 0.45 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.01 3iw4 h LEU 532 CO -0.64 0.54 -0.78 0.00 0.09 0.00 0.00 178.44 177.64 3iw4 n ALA 533 N -2.28 4.21 -1.75 1.53 0.00 0.18 -4.59 120.51 117.81 3iw4 n ALA 533 Ca 0.05 -0.53 -0.20 0.00 0.00 0.00 0.00 53.44 52.76 3iw4 n ALA 533 Cb 0.02 -0.67 -0.07 0.00 0.00 0.00 0.00 19.45 18.73 3iw4 n ALA 533 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iw4 n GLY 534 N 1.41 1.40 3.09 0.00 0.00 0.60 -4.87 105.19 106.81 3iw4 n GLY 534 Ca 0.04 -0.06 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 3iw4 n GLY 534 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iw4 s GLN 535 N -3.96 0.58 0.18 1.61 -1.52 -1.24 -4.91 119.66 110.41 3iw4 s GLN 535 Ca 0.00 -1.03 -0.30 0.00 -1.95 0.00 0.00 55.36 52.08 3iw4 s GLN 535 Cb 0.00 0.21 -0.08 0.00 -0.22 0.00 0.00 33.01 32.92 3iw4 s GLN 535 CO 0.00 -0.12 1.05 -1.25 -0.25 0.00 0.00 175.29 174.72 3iw4 s PRO 536 N -3.33 4.65 0.12 2.91 0.04 -1.26 -3.71 135.00 134.42 3iw4 s PRO 536 Ca 0.01 1.64 0.20 0.00 0.04 0.00 0.00 61.00 62.90 3iw4 s PRO 536 Cb 0.04 -3.29 0.84 0.00 0.04 0.00 0.00 34.50 32.12 3iw4 s PRO 536 CO -0.08 0.17 1.63 -2.30 0.04 0.00 0.00 177.00 176.46 3iw4 n PRO 537 N 2.25 0.10 -4.11 0.56 -0.02 -1.26 -4.79 135.00 127.73 3iw4 n PRO 537 Ca 0.02 0.29 -0.08 0.00 -2.02 0.00 0.00 63.50 61.70 3iw4 n PRO 537 Cb 0.47 -1.67 -0.10 0.00 -0.02 0.00 0.00 33.50 32.18 3iw4 n PRO 537 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3iw4 s PHE 538 N -3.13 0.63 0.28 6.00 0.08 -1.26 -4.69 117.98 115.88 3iw4 s PHE 538 Ca 0.07 -1.00 -0.14 0.00 0.12 0.00 0.00 56.93 55.98 3iw4 s PHE 538 Cb 0.11 -0.42 0.01 0.00 -0.57 0.00 0.00 43.02 42.14 3iw4 s PHE 538 CO 0.37 -0.30 0.56 0.16 -0.10 0.00 0.00 175.22 175.91 3iw4 s ASP 539 N -2.91 -0.02 0.00 1.36 1.47 -1.26 -5.09 116.67 110.22 3iw4 s ASP 539 Ca 0.08 -0.94 0.00 0.00 1.18 0.00 0.00 52.55 52.87 3iw4 s ASP 539 Cb 0.07 0.65 0.00 0.00 -0.34 0.00 0.00 42.92 43.30 3iw4 s ASP 539 CO -0.08 -1.25 0.00 0.61 0.68 0.00 0.00 175.17 175.13 3iw4 n GLY 540 N -0.43 2.57 0.26 2.12 0.00 -1.26 -4.20 105.19 104.25 3iw4 n GLY 540 Ca -0.02 -0.48 -0.09 0.00 0.00 0.00 0.00 46.02 45.42 3iw4 n GLY 540 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iw4 h GLU 541 N 0.00 -0.27 0.00 1.61 4.39 -1.99 -3.43 114.58 114.90 3iw4 h GLU 541 Ca 0.00 0.02 -0.40 0.00 0.34 0.00 0.00 59.36 59.32 3iw4 h GLU 541 Cb 0.00 0.06 -0.09 0.00 -0.10 0.00 0.00 28.75 28.62 3iw4 h GLU 541 CO 0.00 -0.18 -0.33 -0.40 -1.16 0.00 0.00 179.01 176.94 3iw4 n ASP 542 N -5.36 1.34 -0.13 1.42 5.68 -1.26 -5.00 116.55 113.24 3iw4 n ASP 542 Ca -0.03 -2.53 -0.04 0.00 -0.50 0.00 0.00 54.79 51.69 3iw4 n ASP 542 Cb 0.27 0.68 0.03 0.00 -1.14 0.00 0.00 41.12 40.95 3iw4 n ASP 542 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 3iw4 h GLU 543 N 0.00 0.03 -0.00 0.11 4.81 -1.99 0.37 114.58 117.91 3iw4 h GLU 543 Ca -0.23 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.00 3iw4 h GLU 543 Cb 0.86 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.23 3iw4 h GLU 543 CO 0.37 0.02 0.00 -0.44 -0.73 0.00 0.00 179.01 178.23 3iw4 h ASP 544 N 0.03 0.01 -0.73 1.04 5.19 -1.97 0.14 116.42 120.13 3iw4 h ASP 544 Ca 0.21 -0.09 0.16 0.00 -0.62 0.00 0.00 57.03 56.69 3iw4 h ASP 544 Cb 0.31 -0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.70 3iw4 h ASP 544 CO -0.41 0.09 0.05 -0.08 -3.12 0.00 0.00 179.24 175.77 3iw4 h GLU 545 N -0.08 0.14 -0.36 3.56 4.57 -1.89 0.29 114.58 120.80 3iw4 h GLU 545 Ca 0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3iw4 h GLU 545 Cb 0.09 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.63 3iw4 h GLU 545 CO -0.00 0.09 0.24 1.25 -1.18 0.00 0.00 179.01 179.41 3iw4 h LEU 546 N 0.14 0.42 -0.48 1.64 5.85 0.26 -0.78 115.31 122.36 3iw4 h LEU 546 Ca 0.40 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.96 3iw4 h LEU 546 Cb 0.70 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 3iw4 h LEU 546 CO -0.61 0.31 -0.29 -0.26 -0.34 0.00 0.00 178.44 177.25 3iw4 h PHE 547 N 0.49 1.10 -0.88 1.25 -1.00 -0.12 -0.39 116.94 117.40 3iw4 h PHE 547 Ca 0.13 -0.29 0.04 0.00 2.81 0.00 0.00 57.97 60.66 3iw4 h PHE 547 Cb -0.05 -0.25 -0.06 0.00 3.61 0.00 0.00 35.95 39.21 3iw4 h PHE 547 CO -0.05 1.11 0.56 0.37 -1.61 0.00 0.00 178.31 178.69 3iw4 h GLN 548 N 0.80 1.03 -0.43 1.51 -0.00 -0.90 -1.92 115.11 115.20 3iw4 h GLN 548 Ca 0.09 -0.06 0.03 0.00 -0.00 0.00 0.00 58.65 58.70 3iw4 h GLN 548 Cb 0.87 -0.23 -0.03 0.00 0.00 0.00 0.00 27.48 28.08 3iw4 h GLN 548 CO 0.08 0.68 0.24 1.03 0.00 0.00 0.00 178.83 180.86 3iw4 h SER 549 N 1.06 0.37 0.29 -0.69 0.87 -0.28 -2.42 113.55 112.76 3iw4 h SER 549 Ca 0.36 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 3iw4 h SER 549 Cb 0.07 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3iw4 h SER 549 CO -0.14 0.27 -0.08 0.40 -0.53 0.00 0.00 176.83 176.75 3iw4 h ILE 550 N 0.48 0.50 0.00 2.23 2.04 -0.36 0.25 117.51 122.66 3iw4 h ILE 550 Ca 0.18 -0.39 -0.15 0.00 1.00 0.00 0.00 64.86 65.50 3iw4 h ILE 550 Cb 0.05 1.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 3iw4 h ILE 550 CO -0.10 0.08 -1.89 0.80 0.00 0.00 0.00 178.15 177.04 3iw4 n MET 551 N -3.63 0.65 0.00 2.37 1.56 -0.82 -4.57 117.12 112.68 3iw4 n MET 551 Ca -0.02 -0.02 0.00 0.00 -0.27 0.00 0.00 57.70 57.39 3iw4 n MET 551 Cb 0.20 -1.61 0.00 0.00 2.15 0.00 0.00 33.22 33.95 3iw4 n MET 551 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 3iw4 n GLU 552 N -2.59 6.04 -3.11 2.12 1.02 -0.93 -5.04 120.64 118.15 3iw4 n GLU 552 Ca -0.13 -0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.61 3iw4 n GLU 552 Cb 0.80 -0.44 -0.06 0.00 -0.02 0.00 0.00 31.44 31.72 3iw4 n GLU 552 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3iw4 s HIS 553 N -0.86 3.85 -0.39 -0.32 2.46 0.87 -5.03 115.29 115.86 3iw4 s HIS 553 Ca 0.00 1.46 -0.16 0.00 0.47 0.00 0.00 55.06 56.83 3iw4 s HIS 553 Cb 0.00 -2.66 0.01 0.00 -0.13 0.00 0.00 32.58 29.80 3iw4 s HIS 553 CO 0.00 0.52 0.38 -0.80 -2.47 0.00 0.00 174.74 172.36 3iw4 s ASN 554 N -1.00 6.17 -0.09 9.88 0.02 -1.26 -4.92 114.94 123.73 3iw4 s ASN 554 Ca 0.33 -0.57 -0.35 0.00 -1.02 0.00 0.00 52.86 51.25 3iw4 s ASN 554 Cb -0.21 -2.20 -0.12 0.00 0.02 0.00 0.00 41.25 38.74 3iw4 s ASN 554 CO 0.23 -0.46 1.84 0.52 0.02 0.00 0.00 177.10 179.25 3iw4 n VAL 555 N 5.30 0.51 -3.15 1.60 0.31 -1.26 -4.90 118.33 116.74 3iw4 n VAL 555 Ca -0.09 -0.09 -0.45 0.00 -0.01 0.00 0.00 64.34 63.70 3iw4 n VAL 555 Cb 0.48 -1.78 -0.04 0.00 -0.91 0.00 0.00 33.84 31.60 3iw4 n VAL 555 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3iw4 s SER 556 N 3.79 6.39 0.09 4.52 1.04 -1.26 -5.04 113.70 123.23 3iw4 s SER 556 Ca 0.92 -1.85 -0.31 0.00 0.48 0.00 0.00 55.95 55.19 3iw4 s SER 556 Cb -0.73 -2.29 -0.07 0.00 0.10 0.00 0.00 66.02 63.02 3iw4 s SER 556 CO 0.52 -0.96 1.37 -0.31 0.98 0.00 0.00 173.24 174.84 3iw4 s TYR 557 N 2.01 3.21 -0.24 5.02 1.51 -1.26 -4.99 117.35 122.61 3iw4 s TYR 557 Ca 0.16 0.97 -0.29 0.00 -1.01 0.00 0.00 57.07 56.89 3iw4 s TYR 557 Cb -0.18 -3.65 -0.02 0.00 -0.11 0.00 0.00 41.96 37.99 3iw4 s TYR 557 CO -0.00 -2.28 1.56 -1.25 -1.11 0.00 0.00 175.55 172.47 3iw4 s PRO 558 N 1.28 3.80 0.00 -1.71 0.04 -1.26 -4.87 135.00 132.28 3iw4 s PRO 558 Ca 0.64 1.56 0.00 0.00 0.04 0.00 0.00 61.00 63.24 3iw4 s PRO 558 Cb -0.35 -4.01 0.00 0.00 0.04 0.00 0.00 34.50 30.18 3iw4 s PRO 558 CO 0.30 -1.29 0.00 1.63 0.04 0.00 0.00 177.00 177.68 3iw4 n LYS 559 N 7.63 0.00 0.08 4.56 5.02 -1.26 -1.20 118.16 132.99 3iw4 n LYS 559 Ca 0.18 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.42 3iw4 n LYS 559 Cb 0.46 -0.99 -0.05 0.00 -0.02 0.00 0.00 35.03 34.43 3iw4 n LYS 559 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3iw4 h SER 560 N 0.28 0.00 -4.23 4.39 0.02 -2.02 -3.46 113.55 108.53 3iw4 h SER 560 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 3iw4 h SER 560 Cb 0.00 0.00 0.18 0.00 0.14 0.00 0.00 62.40 62.72 3iw4 h SER 560 CO 0.00 0.88 0.32 -0.76 -1.14 0.00 0.00 176.83 176.13 3iw4 s LEU 561 N -6.86 3.09 0.00 5.07 1.02 -0.34 -5.04 118.68 115.63 3iw4 s LEU 561 Ca 0.01 2.27 -0.09 0.00 0.02 0.00 0.00 54.13 56.34 3iw4 s LEU 561 Cb 0.10 -4.58 0.13 0.00 0.02 0.00 0.00 46.19 41.87 3iw4 s LEU 561 CO 0.80 -2.64 0.53 -1.54 0.02 0.00 0.00 176.35 173.52 3iw4 n SER 562 N -3.44 -1.21 -0.03 2.29 3.41 -1.26 -4.89 113.62 108.50 3iw4 n SER 562 Ca 0.13 -0.89 -0.04 0.00 -0.26 0.00 0.00 58.87 57.81 3iw4 n SER 562 Cb 0.51 -0.46 -0.13 0.00 -0.26 0.00 0.00 64.21 63.87 3iw4 n SER 562 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 3iw4 n LYS 563 N -2.90 0.65 -0.05 4.33 2.85 -1.26 -2.66 118.16 119.12 3iw4 n LYS 563 Ca 0.07 0.13 -0.12 0.00 -1.05 0.00 0.00 58.31 57.34 3iw4 n LYS 563 Cb 0.27 -1.69 0.00 0.00 -0.65 0.00 0.00 35.03 32.96 3iw4 n LYS 563 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 177.40 178.28 3iw4 h GLU 564 N 0.00 0.76 0.00 -1.58 3.07 -1.94 -0.18 114.58 114.70 3iw4 h GLU 564 Ca -0.29 -0.46 0.00 0.00 -0.50 0.00 0.00 59.36 58.10 3iw4 h GLU 564 Cb 1.84 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.80 3iw4 h GLU 564 CO 0.05 1.09 0.00 0.00 -1.40 0.00 0.00 179.01 178.75 3iw4 n ALA 565 N -2.55 -0.39 -0.11 3.43 0.00 -1.26 -1.92 120.51 117.71 3iw4 n ALA 565 Ca -0.04 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.67 3iw4 n ALA 565 Cb 0.61 0.08 0.71 0.00 0.00 0.00 0.00 19.45 20.85 3iw4 n ALA 565 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3iw4 h VAL 566 N 0.00 0.42 0.03 0.00 2.07 -1.55 -1.59 116.25 115.63 3iw4 h VAL 566 Ca 0.00 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 3iw4 h VAL 566 Cb 0.00 0.52 0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3iw4 h VAL 566 CO 0.00 0.00 -0.68 -1.28 0.02 0.00 0.00 177.57 175.63 3iw4 h SER 567 N 0.00 0.55 -0.25 0.57 0.87 -0.96 -3.15 113.55 111.18 3iw4 h SER 567 Ca 0.38 -0.80 -0.07 0.00 -1.23 0.00 0.00 61.79 60.07 3iw4 h SER 567 Cb 1.69 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 63.46 3iw4 h SER 567 CO -0.00 1.28 -0.06 -0.29 -0.53 0.00 0.00 176.83 177.22 3iw4 h ILE 568 N -0.12 1.23 -0.33 2.23 2.10 -0.60 -2.05 117.51 119.98 3iw4 h ILE 568 Ca -0.09 -0.98 -0.03 0.00 1.08 0.00 0.00 64.86 64.84 3iw4 h ILE 568 Cb 1.41 1.01 -0.01 0.00 -1.09 0.00 0.00 36.82 38.14 3iw4 h ILE 568 CO 0.13 0.33 0.08 0.00 -1.08 0.00 0.00 178.15 177.61 3iw4 h LYS 570 N 0.37 0.41 -0.87 0.00 1.57 -1.49 1.33 116.57 117.89 3iw4 h LYS 570 Ca 0.10 -0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.95 3iw4 h LYS 570 Cb 0.30 -0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.44 3iw4 h LYS 570 CO 0.00 0.27 0.52 0.78 -0.57 0.00 0.00 179.45 180.45 3iw4 h GLY 571 N 0.42 1.36 0.88 3.86 0.00 -0.73 -0.26 103.07 108.60 3iw4 h GLY 571 Ca 0.19 -0.36 -0.34 0.00 0.00 0.00 0.00 47.33 46.82 3iw4 h GLY 571 CO -0.14 0.17 -1.79 1.41 0.00 0.00 0.00 176.54 176.19 3iw4 h LEU 572 N 0.88 0.44 -3.53 3.11 3.38 -0.46 1.20 115.31 120.33 3iw4 h LEU 572 Ca 0.41 -0.78 -0.41 0.00 0.09 0.00 0.00 57.88 57.19 3iw4 h LEU 572 Cb 0.33 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 40.72 3iw4 h LEU 572 CO -0.23 1.67 0.53 0.23 0.09 0.00 0.00 178.44 180.73 3iw4 n MET 573 N -3.47 2.00 -2.38 1.13 2.81 0.45 -4.17 117.12 113.49 3iw4 n MET 573 Ca -0.25 -2.26 -0.43 0.00 -1.81 0.00 0.00 57.70 52.96 3iw4 n MET 573 Cb 1.06 -1.88 -0.02 0.00 -0.71 0.00 0.00 33.22 31.66 3iw4 n MET 573 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3iw4 s THR 574 N -2.71 4.18 0.44 2.03 2.01 -0.12 -4.87 115.64 116.59 3iw4 s THR 574 Ca 0.43 1.46 0.12 0.00 0.31 0.00 0.00 61.69 64.01 3iw4 s THR 574 Cb 0.36 -3.94 0.20 0.00 0.01 0.00 0.00 72.50 69.13 3iw4 s THR 574 CO 0.06 -0.09 2.01 0.11 -0.69 0.00 0.00 174.62 176.02 3iw4 h LYS 575 N 8.11 0.15 -5.29 4.92 1.57 -1.89 -3.38 116.57 120.76 3iw4 h LYS 575 Ca -0.30 -0.02 -0.66 0.00 -1.87 0.00 0.00 60.65 57.79 3iw4 h LYS 575 Cb 1.13 -0.03 -0.16 0.00 0.08 0.00 0.00 32.23 33.25 3iw4 h LYS 575 CO 0.94 0.23 0.06 -1.01 -0.57 0.00 0.00 179.45 179.11 3iw4 s HIS 576 N -4.87 3.08 0.16 -1.35 3.76 -1.26 -4.64 115.29 110.16 3iw4 s HIS 576 Ca -0.05 -0.14 -0.31 0.00 -0.15 0.00 0.00 55.06 54.41 3iw4 s HIS 576 Cb 0.16 -3.28 -0.06 0.00 1.11 0.00 0.00 32.58 30.51 3iw4 s HIS 576 CO 0.71 -0.85 1.54 -1.35 -0.85 0.00 0.00 174.74 173.94 3iw4 h PRO 577 N 8.86 -0.10 -0.72 8.40 0.11 -1.95 -1.63 132.00 144.96 3iw4 h PRO 577 Ca -0.26 0.01 0.29 0.00 0.11 0.00 0.00 66.00 66.15 3iw4 h PRO 577 Cb 1.10 0.02 -0.11 0.00 0.11 0.00 0.00 31.00 32.12 3iw4 h PRO 577 CO 0.88 -0.07 0.42 0.00 -0.21 0.00 0.00 178.00 179.02 3iw4 n ALA 578 N -3.21 0.74 0.76 -0.75 0.00 -1.26 0.27 120.51 117.05 3iw4 n ALA 578 Ca 0.01 0.65 0.09 0.00 0.00 0.00 0.00 53.44 54.18 3iw4 n ALA 578 Cb 0.29 -0.68 0.04 0.00 0.00 0.00 0.00 19.45 19.10 3iw4 n ALA 578 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3iw4 n LYS 579 N -4.37 1.56 -2.36 0.00 5.02 -0.64 -4.86 118.16 112.52 3iw4 n LYS 579 Ca 0.25 -1.23 -0.42 0.00 -2.02 0.00 0.00 58.31 54.89 3iw4 n LYS 579 Cb 0.90 -1.33 -0.03 0.00 -0.02 0.00 0.00 35.03 34.55 3iw4 n LYS 579 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3iw4 s ARG 580 N -1.74 4.42 -0.51 1.97 3.52 0.76 -4.87 118.95 122.49 3iw4 s ARG 580 Ca 0.18 1.85 -0.33 0.00 -0.13 0.00 0.00 55.73 57.30 3iw4 s ARG 580 Cb 0.15 -3.31 -0.13 0.00 -1.56 0.00 0.00 34.95 30.10 3iw4 s ARG 580 CO 0.32 -0.27 2.33 -0.11 -0.81 0.00 0.00 175.30 176.77 3iw4 n LEU 581 N 3.69 1.72 0.00 -0.88 7.94 0.41 -1.08 117.00 128.80 3iw4 n LEU 581 Ca 0.09 0.20 0.00 0.00 -1.11 0.00 0.00 56.01 55.18 3iw4 n LEU 581 Cb 0.45 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 43.16 3iw4 n LEU 581 CO 0.56 -0.90 0.00 0.61 -1.11 0.00 0.00 177.39 176.55 3iw4 n GLY 582 N 6.49 1.25 3.89 -3.96 0.00 -1.26 -4.67 105.19 106.94 3iw4 n GLY 582 Ca 0.46 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.17 3iw4 n GLY 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iw4 n GLY 584 N -0.20 -0.06 0.00 0.00 0.00 -1.26 -4.47 105.19 99.20 3iw4 n GLY 584 Ca -0.01 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.17 3iw4 n GLY 584 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3iw4 n PRO 585 N 0.00 0.00 -0.56 1.61 -0.02 -1.26 -3.95 135.00 130.82 3iw4 n PRO 585 Ca 0.00 0.51 -0.04 0.00 -2.02 0.00 0.00 63.50 61.95 3iw4 n PRO 585 Cb 0.00 -1.49 0.16 0.00 -0.02 0.00 0.00 33.50 32.15 3iw4 n PRO 585 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 3iw4 n GLU 586 N -2.01 2.46 -0.29 -0.52 4.07 -1.26 -4.73 120.64 118.35 3iw4 n GLU 586 Ca 0.00 -1.65 -0.08 0.00 -0.06 0.00 0.00 57.16 55.38 3iw4 n GLU 586 Cb 0.00 -1.79 -0.07 0.00 -0.06 0.00 0.00 31.44 29.52 3iw4 n GLU 586 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3iw4 n GLY 587 N 0.02 -2.68 0.00 8.31 0.00 -1.25 -2.24 105.19 107.34 3iw4 n GLY 587 Ca 0.22 1.00 0.00 0.00 0.00 0.00 0.00 46.02 47.24 3iw4 n GLY 587 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3iw4 n GLU 588 N -4.59 0.00 -0.12 1.61 2.13 -1.26 -1.59 120.64 116.82 3iw4 n GLU 588 Ca 0.01 0.82 -0.14 0.00 0.66 0.00 0.00 57.16 58.52 3iw4 n GLU 588 Cb 0.18 -1.27 -0.10 0.00 0.27 0.00 0.00 31.44 30.52 3iw4 n GLU 588 CO 0.00 0.00 0.00 -0.09 -0.41 0.00 0.00 177.13 176.63 3iw4 h ARG 589 N 0.00 -0.41 -0.01 5.31 2.43 -1.86 -2.66 114.38 117.18 3iw4 h ARG 589 Ca 0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3iw4 h ARG 589 Cb 0.00 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.64 3iw4 h ARG 589 CO 0.00 -0.28 -0.01 -0.25 -1.51 0.00 0.00 179.97 177.93 3iw4 n ASP 590 N -5.38 -0.02 0.02 -3.80 9.92 -0.62 0.21 116.55 116.88 3iw4 n ASP 590 Ca -0.04 0.03 -0.12 0.00 -0.53 0.00 0.00 54.79 54.13 3iw4 n ASP 590 Cb 0.35 -0.01 -0.09 0.00 -0.64 0.00 0.00 41.12 40.73 3iw4 n ASP 590 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 3iw4 h VAL 591 N 0.00 1.14 -0.86 2.53 2.07 -1.44 0.12 116.25 119.80 3iw4 h VAL 591 Ca 0.00 -1.26 0.17 0.00 0.82 0.00 0.00 66.70 66.44 3iw4 h VAL 591 Cb 0.01 1.90 -0.06 0.00 -1.52 0.00 0.00 31.29 31.61 3iw4 h VAL 591 CO -0.01 0.29 0.57 -0.09 0.02 0.00 0.00 177.57 178.34 3iw4 h ARG 592 N -0.74 0.49 0.00 1.57 2.43 0.22 -3.03 114.38 115.33 3iw4 h ARG 592 Ca -0.01 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3iw4 h ARG 592 Cb 0.57 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3iw4 h ARG 592 CO 0.02 0.32 0.00 -1.91 -1.51 0.00 0.00 179.97 176.90 3iw4 n GLU 593 N -4.53 0.00 0.00 0.20 4.07 0.56 -4.84 120.64 116.11 3iw4 n GLU 593 Ca 0.18 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.31 3iw4 n GLU 593 Cb 0.58 -0.95 0.00 0.00 -0.06 0.00 0.00 31.44 31.01 3iw4 n GLU 593 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 3iw4 n HIS 594 N -0.59 0.00 1.09 4.31 -0.00 0.39 -4.62 115.22 115.80 3iw4 n HIS 594 Ca 0.00 0.00 0.09 0.00 0.46 0.00 0.00 57.72 58.27 3iw4 n HIS 594 Cb 0.00 0.00 0.52 0.00 -0.12 0.00 0.00 29.99 30.39 3iw4 n HIS 594 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3iw4 n ALA 595 N 0.00 2.15 0.08 1.57 0.00 -1.26 -2.70 120.51 120.35 3iw4 n ALA 595 Ca 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 53.44 53.34 3iw4 n ALA 595 Cb 0.00 -1.28 0.33 0.00 0.00 0.00 0.00 19.45 18.50 3iw4 n ALA 595 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3iw4 h PHE 596 N 0.00 0.34 -0.54 0.00 3.57 -1.82 -2.10 116.94 116.39 3iw4 h PHE 596 Ca 0.00 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.45 3iw4 h PHE 596 Cb 0.00 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 38.65 3iw4 h PHE 596 CO 0.00 0.47 0.00 1.19 -2.23 0.00 0.00 178.31 177.74 3iw4 n PHE 597 N -4.23 1.56 -0.15 0.41 3.72 -1.10 -4.68 117.46 112.99 3iw4 n PHE 597 Ca -0.00 -0.58 0.27 0.00 -0.05 0.00 0.00 57.45 57.09 3iw4 n PHE 597 Cb 0.30 -0.33 0.53 0.00 -0.94 0.00 0.00 39.48 39.04 3iw4 n PHE 597 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3iw4 h ARG 598 N 3.58 0.00 -0.78 -1.08 3.08 -1.56 -0.28 114.38 117.34 3iw4 h ARG 598 Ca 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 59.98 59.54 3iw4 h ARG 598 Cb 1.54 0.00 -0.29 0.00 0.08 0.00 0.00 29.97 31.30 3iw4 h ARG 598 CO 0.31 0.00 0.14 0.54 -1.07 0.00 0.00 179.97 179.89 3iw4 n ARG 599 N -3.38 2.71 -3.95 0.04 1.74 -1.26 -4.97 116.66 107.58 3iw4 n ARG 599 Ca 0.20 -3.50 -0.23 0.00 -0.77 0.00 0.00 57.85 53.56 3iw4 n ARG 599 Cb 1.32 -2.17 -0.17 0.00 -1.02 0.00 0.00 32.46 30.42 3iw4 n ARG 599 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3iw4 s ILE 600 N -4.24 0.59 -0.59 0.55 1.09 -0.12 -5.09 121.20 113.40 3iw4 s ILE 600 Ca 0.55 -0.06 -0.24 0.00 -1.10 0.00 0.00 60.65 59.80 3iw4 s ILE 600 Cb 0.45 -0.66 0.05 0.00 -1.06 0.00 0.00 42.46 41.24 3iw4 s ILE 600 CO 0.02 0.27 0.98 -0.62 -0.10 0.00 0.00 174.94 175.49 3iw4 s ASP 601 N 1.54 6.29 0.25 3.58 2.15 -1.26 -4.91 116.67 124.31 3iw4 s ASP 601 Ca -0.01 -0.49 0.21 0.00 0.43 0.00 0.00 52.55 52.68 3iw4 s ASP 601 Cb -0.13 -2.44 0.97 0.00 -0.30 0.00 0.00 42.92 41.01 3iw4 s ASP 601 CO -0.04 -1.32 1.63 0.79 -0.17 0.00 0.00 175.17 176.05 3iw4 n TRP 602 N 7.67 0.67 0.03 -5.34 7.02 -1.26 -1.39 117.44 124.84 3iw4 n TRP 602 Ca 0.01 0.30 -0.19 0.00 -1.02 0.00 0.00 57.50 56.60 3iw4 n TRP 602 Cb 0.47 -0.98 -0.14 0.00 -2.42 0.00 0.00 31.31 28.23 3iw4 n TRP 602 CO 0.00 0.00 0.00 0.93 -2.02 0.00 0.00 177.69 176.60 3iw4 h GLU 603 N 0.00 0.24 -0.02 -0.99 5.08 -1.97 -3.15 114.58 113.77 3iw4 h GLU 603 Ca 0.00 -0.42 -0.05 0.00 -1.00 0.00 0.00 59.36 57.89 3iw4 h GLU 603 Cb 0.19 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 3iw4 h GLU 603 CO 0.00 1.20 -0.21 0.87 -1.00 0.00 0.00 179.01 179.87 3iw4 h LYS 604 N -0.49 0.03 0.00 2.33 1.57 -1.66 -3.15 116.57 115.19 3iw4 h LYS 604 Ca -0.12 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3iw4 h LYS 604 Cb 1.53 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.84 3iw4 h LYS 604 CO 0.12 0.24 0.00 -0.11 -0.57 0.00 0.00 179.45 179.14 3iw4 n LEU 605 N -4.27 0.23 -0.36 2.94 7.94 -0.48 -1.13 117.00 121.86 3iw4 n LEU 605 Ca -0.02 0.71 0.00 0.00 -1.11 0.00 0.00 56.01 55.59 3iw4 n LEU 605 Cb 0.28 -0.40 0.00 0.00 0.53 0.00 0.00 43.42 43.83 3iw4 n LEU 605 CO 0.37 -0.40 0.00 -1.84 -1.11 0.00 0.00 177.39 174.41 3iw4 n GLU 606 N -1.70 0.00 -0.15 1.96 0.28 -1.19 0.13 120.64 119.97 3iw4 n GLU 606 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.02 3iw4 n GLU 606 Cb 0.00 -0.99 0.02 0.00 1.43 0.00 0.00 31.44 31.91 3iw4 n GLU 606 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 3iw4 n ASN 607 N 0.20 0.77 -2.14 -1.84 4.13 -1.19 -4.92 115.26 110.28 3iw4 n ASN 607 Ca 0.00 -1.81 -0.14 0.00 1.68 0.00 0.00 54.58 54.31 3iw4 n ASN 607 Cb 0.00 -0.12 -0.02 0.00 -1.54 0.00 0.00 39.78 38.09 3iw4 n ASN 607 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 3iw4 n ARG 608 N -0.33 -1.88 -0.00 3.52 1.74 0.35 -4.82 116.66 115.23 3iw4 n ARG 608 Ca 0.03 0.73 -0.22 0.00 -0.77 0.00 0.00 57.85 57.62 3iw4 n ARG 608 Cb 0.53 -5.24 -0.14 0.00 -1.02 0.00 0.00 32.46 26.59 3iw4 n ARG 608 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3iw4 h GLU 609 N 0.00 0.22 -5.84 5.56 5.08 -1.28 -3.45 114.58 114.88 3iw4 h GLU 609 Ca -0.32 -0.38 -0.54 0.00 -1.00 0.00 0.00 59.36 57.11 3iw4 h GLU 609 Cb 1.15 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.55 3iw4 h GLU 609 CO 0.41 1.18 1.55 -0.89 -1.00 0.00 0.00 179.01 180.26 3iw4 n ILE 610 N -3.85 0.18 -1.67 3.13 5.41 -0.93 -4.86 119.36 116.76 3iw4 n ILE 610 Ca -0.28 -0.59 -0.45 0.00 1.00 0.00 0.00 62.75 62.44 3iw4 n ILE 610 Cb 0.92 -2.63 -0.02 0.00 -0.71 0.00 0.00 39.64 37.20 3iw4 n ILE 610 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 3iw4 n GLN 611 N 8.85 1.98 -3.13 0.38 7.27 -1.26 -4.90 117.38 126.56 3iw4 n GLN 611 Ca 0.33 0.70 -0.39 0.00 0.07 0.00 0.00 57.00 57.71 3iw4 n GLN 611 Cb 0.48 -2.33 -0.06 0.00 2.41 0.00 0.00 30.24 30.74 3iw4 n GLN 611 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3iw4 s PRO 612 N -0.60 4.37 0.00 3.69 0.04 -1.26 -4.98 135.00 136.27 3iw4 s PRO 612 Ca 0.67 0.87 0.00 0.00 0.04 0.00 0.00 61.00 62.58 3iw4 s PRO 612 Cb -0.65 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 30.57 3iw4 s PRO 612 CO 0.51 0.41 0.00 -2.30 0.04 0.00 0.00 177.00 175.67 3iw4 n PRO 613 N 2.45 0.00 -3.73 0.56 -0.02 -1.26 -4.53 135.00 128.47 3iw4 n PRO 613 Ca -0.06 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.29 3iw4 n PRO 613 Cb 0.50 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.91 3iw4 n PRO 613 CO 0.00 0.00 0.00 -0.59 1.98 0.00 0.00 175.50 176.89 3iw4 s PHE 614 N -2.37 -0.19 -0.47 6.00 -0.12 -1.26 -5.13 117.98 114.45 3iw4 s PHE 614 Ca 0.00 0.19 -0.16 0.00 -0.05 0.00 0.00 56.93 56.91 3iw4 s PHE 614 Cb 0.00 0.13 0.06 0.00 -0.63 0.00 0.00 43.02 42.58 3iw4 s PHE 614 CO 0.00 -0.47 0.42 0.21 -0.05 0.00 0.00 175.22 175.32 3iw4 s LYS 615 N -1.97 3.01 1.01 1.99 2.20 -1.26 -4.26 119.74 120.45 3iw4 s LYS 615 Ca -0.09 -1.20 -0.11 0.00 -0.36 0.00 0.00 55.97 54.21 3iw4 s LYS 615 Cb -0.03 -4.10 0.20 0.00 -1.51 0.00 0.00 37.83 32.39 3iw4 s LYS 615 CO 0.01 -1.01 1.09 -1.25 -0.36 0.00 0.00 175.35 173.83 3iw4 s PRO 616 N 1.83 0.32 0.33 4.03 0.04 -1.26 -4.88 135.00 135.40 3iw4 s PRO 616 Ca 0.06 1.16 -0.28 0.00 0.04 0.00 0.00 61.00 61.98 3iw4 s PRO 616 Cb -0.22 -1.67 -0.13 0.00 0.04 0.00 0.00 34.50 32.52 3iw4 s PRO 616 CO 0.08 -2.98 1.23 1.17 0.04 0.00 0.00 177.00 176.54 3iw4 n LYS 617 N -4.44 1.97 0.00 4.56 4.81 -1.26 -5.00 118.16 118.81 3iw4 n LYS 617 Ca 0.08 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.21 3iw4 n LYS 617 Cb 0.53 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.35 3iw4 n LYS 617 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 3iw4 n VAL 618 N 0.31 0.00 0.00 3.15 0.31 -1.26 -4.78 118.33 116.06 3iw4 n VAL 618 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 3iw4 n VAL 618 Cb 0.35 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.28 3iw4 n VAL 618 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 3iw4 n PHE 626 N 0.00 0.00 -3.93 3.52 -0.00 -1.26 -4.99 117.46 110.80 3iw4 n PHE 626 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.45 57.10 3iw4 n PHE 626 Cb 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 39.48 39.34 3iw4 n PHE 626 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 3iw4 s ASP 627 N -3.11 4.20 0.00 -2.13 -1.08 -1.26 -5.01 116.67 108.28 3iw4 s ASP 627 Ca 0.00 -0.48 0.17 0.00 -0.52 0.00 0.00 52.55 51.72 3iw4 s ASP 627 Cb 0.00 -1.71 1.04 0.00 -1.46 0.00 0.00 42.92 40.79 3iw4 s ASP 627 CO 0.00 -0.04 1.59 0.29 0.52 0.00 0.00 175.17 177.53 3iw4 n LYS 628 N 4.77 0.88 0.00 4.34 5.02 -1.26 -3.65 118.16 128.26 3iw4 n LYS 628 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 3iw4 n LYS 628 Cb 0.50 -1.31 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 3iw4 n LYS 628 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3iw4 n PHE 629 N -0.81 0.00 -3.84 2.13 3.72 -1.26 -4.99 117.46 112.42 3iw4 n PHE 629 Ca 0.13 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.37 3iw4 n PHE 629 Cb 0.06 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.44 3iw4 n PHE 629 CO 0.00 0.00 0.00 0.12 -0.05 0.00 0.00 176.76 176.83 3iw4 s PHE 630 N -1.66 0.14 0.47 1.38 2.19 -1.24 -5.15 117.98 114.11 3iw4 s PHE 630 Ca 0.00 0.08 0.03 0.00 0.33 0.00 0.00 56.93 57.37 3iw4 s PHE 630 Cb 0.00 -0.30 -0.04 0.00 -1.31 0.00 0.00 43.02 41.37 3iw4 s PHE 630 CO 0.00 -0.10 0.01 -0.08 1.83 0.00 0.00 175.22 176.88 3iw4 s THR 631 N 1.03 1.47 -0.21 0.12 -1.32 -1.26 -4.60 115.64 110.87 3iw4 s THR 631 Ca -0.09 -1.99 0.04 0.00 -1.21 0.00 0.00 61.69 58.43 3iw4 s THR 631 Cb -0.13 -2.47 -0.03 0.00 -1.51 0.00 0.00 72.50 68.36 3iw4 s THR 631 CO -0.02 0.00 0.21 -1.14 -2.21 0.00 0.00 174.62 171.46 3iw4 n ARG 632 N -1.16 5.06 0.00 7.08 0.63 -1.26 -5.11 116.66 121.90 3iw4 n ARG 632 Ca -0.14 -0.09 0.00 0.00 -0.92 0.00 0.00 57.85 56.70 3iw4 n ARG 632 Cb 0.67 -0.72 0.00 0.00 0.45 0.00 0.00 32.46 32.86 3iw4 n ARG 632 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3iw4 n GLY 633 N 0.98 -2.53 3.72 5.14 0.00 -1.26 -4.90 105.19 106.35 3iw4 n GLY 633 Ca 0.01 -1.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 3iw4 n GLY 633 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3iw4 s GLN 634 N -0.84 4.17 -0.17 1.61 -0.21 -1.26 -5.03 119.66 117.92 3iw4 s GLN 634 Ca 0.00 -0.23 -0.29 0.00 0.02 0.00 0.00 55.36 54.86 3iw4 s GLN 634 Cb 0.00 -3.40 -0.05 0.00 1.00 0.00 0.00 33.01 30.56 3iw4 s GLN 634 CO 0.00 0.29 1.99 -2.14 -2.12 0.00 0.00 175.29 173.32 3iw4 s PRO 635 N 0.37 3.53 0.40 2.91 0.02 -1.26 -4.98 135.00 135.99 3iw4 s PRO 635 Ca 0.07 2.03 0.07 0.00 0.02 0.00 0.00 61.00 63.20 3iw4 s PRO 635 Cb -0.11 -4.24 -0.07 0.00 0.02 0.00 0.00 34.50 30.11 3iw4 s PRO 635 CO -0.02 -1.64 0.08 0.14 -0.33 0.00 0.00 177.00 175.23 3iw4 s VAL 636 N 6.61 2.20 0.00 3.83 -7.23 -1.26 -4.73 120.40 119.82 3iw4 s VAL 636 Ca 0.90 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 3iw4 s VAL 636 Cb -0.33 -2.97 0.00 0.00 0.56 0.00 0.00 36.38 33.64 3iw4 s VAL 636 CO 0.35 -0.02 0.00 0.18 -0.31 0.00 0.00 175.10 175.30 3iw4 n LEU 637 N -1.08 0.00 -4.65 1.32 4.77 -1.26 -5.20 117.00 110.90 3iw4 n LEU 637 Ca -0.03 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.69 3iw4 n LEU 637 Cb 0.65 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.65 3iw4 n LEU 637 CO 0.47 0.00 -0.27 -2.16 -1.33 0.00 0.00 177.39 174.10 3iw4 s PRO 639 N 3.83 2.05 0.61 3.23 0.04 -1.26 -5.22 135.00 138.29 3iw4 s PRO 639 Ca 0.00 -1.90 -0.17 0.00 0.04 0.00 0.00 61.00 58.97 3iw4 s PRO 639 Cb 0.00 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 3iw4 s PRO 639 CO 0.00 0.02 1.15 -2.14 0.04 0.00 0.00 177.00 176.07 3iw4 s PRO 640 N -3.75 2.94 -0.38 0.56 0.02 -1.26 -4.98 135.00 128.15 3iw4 s PRO 640 Ca 0.36 1.62 -0.12 0.00 0.02 0.00 0.00 61.00 62.89 3iw4 s PRO 640 Cb 0.04 -1.95 0.03 0.00 0.02 0.00 0.00 34.50 32.64 3iw4 s PRO 640 CO 0.19 -1.18 0.23 0.34 -0.33 0.00 0.00 177.00 176.25 3iw4 s ASP 641 N -1.99 5.79 0.18 2.53 2.15 -1.26 -5.02 116.67 119.05 3iw4 s ASP 641 Ca 0.72 -1.02 -0.15 0.00 0.43 0.00 0.00 52.55 52.53 3iw4 s ASP 641 Cb -0.25 -2.04 0.16 0.00 -0.30 0.00 0.00 42.92 40.48 3iw4 s ASP 641 CO 0.35 -0.41 1.67 1.56 -0.17 0.00 0.00 175.17 178.17 3iw4 h GLN 642 N 8.47 0.05 -0.06 4.34 1.08 -1.99 -1.37 115.11 125.62 3iw4 h GLN 642 Ca -0.25 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 56.92 3iw4 h GLN 642 Cb 1.10 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.52 3iw4 h GLN 642 CO 0.69 0.03 -0.05 1.25 -0.95 0.00 0.00 178.83 179.80 3iw4 h LEU 643 N 0.05 0.08 -0.04 1.46 5.85 -1.99 0.12 115.31 120.84 3iw4 h LEU 643 Ca 0.23 -0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.72 3iw4 h LEU 643 Cb 0.35 -0.02 0.02 0.00 0.37 0.00 0.00 40.66 41.38 3iw4 h LEU 643 CO -0.44 0.15 -0.86 0.58 -0.34 0.00 0.00 178.44 177.52 3iw4 h VAL 644 N 0.09 1.31 -0.37 1.05 2.07 -1.70 -3.29 116.25 115.41 3iw4 h VAL 644 Ca 0.02 -2.12 -0.10 0.00 0.82 0.00 0.00 66.70 65.32 3iw4 h VAL 644 Cb 0.15 2.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 3iw4 h VAL 644 CO 0.01 0.65 -0.17 0.40 0.02 0.00 0.00 177.57 178.48 3iw4 h ILE 645 N 0.31 1.28 0.00 4.57 2.04 -0.77 -2.17 117.51 122.78 3iw4 h ILE 645 Ca -0.10 -1.29 0.00 0.00 1.00 0.00 0.00 64.86 64.47 3iw4 h ILE 645 Cb 1.52 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.94 3iw4 h ILE 645 CO 0.17 0.43 0.00 0.00 0.00 0.00 0.00 178.15 178.75 3iw4 n ALA 646 N -2.47 1.36 0.17 1.87 0.00 -0.03 -2.50 120.51 118.93 3iw4 n ALA 646 Ca -0.02 0.04 0.03 0.00 0.00 0.00 0.00 53.44 53.48 3iw4 n ALA 646 Cb 0.40 -1.21 0.03 0.00 0.00 0.00 0.00 19.45 18.67 3iw4 n ALA 646 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3iw4 n ASN 647 N -1.79 1.57 -4.74 0.00 3.02 -0.94 -4.98 115.26 107.40 3iw4 n ASN 647 Ca 0.01 -1.33 -0.41 0.00 -0.03 0.00 0.00 54.58 52.82 3iw4 n ASN 647 Cb 0.11 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 3iw4 n ASN 647 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3iw4 s ILE 648 N -0.51 3.34 -1.17 2.41 1.01 -0.86 -4.96 121.20 120.45 3iw4 s ILE 648 Ca 0.07 1.14 -0.19 0.00 0.00 0.00 0.00 60.65 61.66 3iw4 s ILE 648 Cb 0.04 -3.73 0.07 0.00 0.01 0.00 0.00 42.46 38.86 3iw4 s ILE 648 CO 0.07 0.19 1.58 -0.62 0.00 0.00 0.00 174.94 176.15 3iw4 s ASP 649 N 0.13 6.73 0.45 3.58 -1.08 -1.26 -4.87 116.67 120.35 3iw4 s ASP 649 Ca 0.54 -2.12 0.21 0.00 -0.52 0.00 0.00 52.55 50.66 3iw4 s ASP 649 Cb -0.35 -2.55 1.19 0.00 -1.46 0.00 0.00 42.92 39.75 3iw4 s ASP 649 CO 0.39 -1.25 1.87 1.56 0.52 0.00 0.00 175.17 178.26 3iw4 h GLN 650 N 8.39 0.28 -0.94 4.34 1.08 -1.94 -2.87 115.11 123.45 3iw4 h GLN 650 Ca 0.34 -0.02 0.23 0.00 -1.45 0.00 0.00 58.65 57.75 3iw4 h GLN 650 Cb 0.93 -0.06 -0.07 0.00 -0.05 0.00 0.00 27.48 28.23 3iw4 h GLN 650 CO 1.41 0.19 0.63 0.66 -0.95 0.00 0.00 178.83 180.77 3iw4 h SER 651 N 0.29 0.34 -0.83 1.46 4.64 -2.01 -0.54 113.55 116.89 3iw4 h SER 651 Ca 0.44 0.04 0.24 0.00 -0.47 0.00 0.00 61.79 62.05 3iw4 h SER 651 Cb 1.27 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.31 3iw4 h SER 651 CO -0.13 0.11 0.90 0.44 -0.87 0.00 0.00 176.83 177.29 3iw4 h ASP 652 N 0.32 0.00 -0.44 4.97 3.32 -1.94 -1.97 116.42 120.68 3iw4 h ASP 652 Ca 0.49 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 57.22 3iw4 h ASP 652 Cb 1.37 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.68 3iw4 h ASP 652 CO -0.17 0.00 -0.62 0.49 -1.72 0.00 0.00 179.24 177.22 3iw4 n PHE 653 N -3.50 1.61 -2.68 4.55 3.01 -0.21 -4.97 117.46 115.27 3iw4 n PHE 653 Ca 0.18 -1.93 -0.40 0.00 1.01 0.00 0.00 57.45 56.31 3iw4 n PHE 653 Cb 1.17 -0.34 -0.05 0.00 -0.01 0.00 0.00 39.48 40.25 3iw4 n PHE 653 CO 0.00 0.00 0.00 -2.00 1.01 0.00 0.00 176.76 175.77 3iw4 s GLU 654 N -3.45 4.75 -1.53 -1.08 2.12 -0.74 -3.25 118.70 115.52 3iw4 s GLU 654 Ca 0.46 1.55 -0.06 0.00 0.36 0.00 0.00 54.97 57.28 3iw4 s GLU 654 Cb 0.40 -3.30 0.01 0.00 0.26 0.00 0.00 34.13 31.50 3iw4 s GLU 654 CO -0.01 0.34 0.72 0.41 -0.54 0.00 0.00 175.26 176.19 3iw4 n GLY 655 N 1.74 -0.53 1.42 -1.50 0.00 -1.26 -5.15 105.19 99.91 3iw4 n GLY 655 Ca -0.00 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3iw4 n GLY 655 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3iw4 n PHE 656 N -4.62 0.00 0.00 1.61 7.35 -1.20 -5.09 117.46 115.51 3iw4 n PHE 656 Ca -0.09 -0.58 0.00 0.00 -0.76 0.00 0.00 57.45 56.02 3iw4 n PHE 656 Cb 0.61 -0.35 0.00 0.00 0.35 0.00 0.00 39.48 40.09 3iw4 n PHE 656 CO 0.00 0.00 0.00 0.98 -0.76 0.00 0.00 176.76 176.98 3iw4 n TYR 658 N 1.30 0.00 -4.65 -5.13 9.36 -0.63 -4.76 117.16 112.65 3iw4 n TYR 658 Ca 0.00 0.00 -0.24 0.00 3.32 0.00 0.00 57.90 60.98 3iw4 n TYR 658 Cb 0.35 0.00 -0.16 0.00 -0.63 0.00 0.00 39.34 38.90 3iw4 n TYR 658 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3iw4 s VAL 659 N -2.00 1.17 -0.58 2.97 1.01 -1.26 -1.64 120.40 120.07 3iw4 s VAL 659 Ca 0.00 -0.56 -0.26 0.00 0.00 0.00 0.00 61.98 61.16 3iw4 s VAL 659 Cb 0.00 -1.02 0.04 0.00 0.00 0.00 0.00 36.38 35.40 3iw4 s VAL 659 CO 0.00 0.35 1.09 0.21 0.00 0.00 0.00 175.10 176.75 3iw4 s ASN 660 N 0.18 6.38 0.00 3.32 2.47 0.52 -4.87 114.94 122.94 3iw4 s ASN 660 Ca -0.05 -0.13 0.17 0.00 0.42 0.00 0.00 52.86 53.27 3iw4 s ASN 660 Cb -0.11 -2.50 0.94 0.00 -1.45 0.00 0.00 41.25 38.12 3iw4 s ASN 660 CO 0.02 -1.40 1.48 -0.81 -3.72 0.00 0.00 177.10 172.67 3iw4 n PRO 661 N 8.08 0.37 -0.31 0.43 -0.04 -1.26 -2.46 135.00 139.82 3iw4 n PRO 661 Ca 0.05 0.07 0.07 0.00 -0.04 0.00 0.00 63.50 63.66 3iw4 n PRO 661 Cb 0.48 -1.50 0.13 0.00 -0.04 0.00 0.00 33.50 32.57 3iw4 n PRO 661 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3iw4 n GLN 662 N -1.16 1.08 -1.38 0.54 6.02 -1.26 -5.04 117.38 116.18 3iw4 n GLN 662 Ca 0.10 -2.45 -0.34 0.00 -0.01 0.00 0.00 57.00 54.30 3iw4 n GLN 662 Cb 0.10 -1.30 0.10 0.00 1.02 0.00 0.00 30.24 30.16 3iw4 n GLN 662 CO 0.00 0.00 0.00 0.12 -1.01 0.00 0.00 177.06 176.17 3iw4 s PHE 663 N -2.37 2.02 -0.04 1.08 5.36 -1.03 -5.03 117.98 117.98 3iw4 s PHE 663 Ca 0.28 1.61 -0.01 0.00 -0.96 0.00 0.00 56.93 57.85 3iw4 s PHE 663 Cb 0.26 -3.47 0.03 0.00 -0.34 0.00 0.00 43.02 39.50 3iw4 s PHE 663 CO -0.00 -2.64 0.04 0.08 -1.46 0.00 0.00 175.22 171.24 3iw4 s VAL 664 N -2.02 -0.03 -0.15 3.12 1.01 -1.26 -5.08 120.40 115.99 3iw4 s VAL 664 Ca 0.74 0.33 0.09 0.00 0.00 0.00 0.00 61.98 63.14 3iw4 s VAL 664 Cb -0.29 -0.17 -0.15 0.00 0.00 0.00 0.00 36.38 35.76 3iw4 s VAL 664 CO 0.46 0.16 -0.01 1.41 0.00 0.00 0.00 175.10 177.12 3iw4 n HIS 665 N 4.93 0.00 0.00 5.22 -0.00 -1.26 -5.08 115.22 119.02 3iw4 n HIS 665 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.61 3iw4 n HIS 665 Cb 0.50 -0.68 0.00 0.00 -0.00 0.00 0.00 29.99 29.81 3iw4 n HIS 665 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04