#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iw4 s LEU 331 N 0.00 2.27 -0.14 1.20 1.02 -1.26 -5.06 118.68 116.71 3iw4 s LEU 331 Ca 0.00 -0.57 -0.04 0.00 0.02 0.00 0.00 54.13 53.54 3iw4 s LEU 331 Cb 0.00 0.09 -0.10 0.00 0.02 0.00 0.00 46.19 46.20 3iw4 s LEU 331 CO 0.00 -0.33 2.98 -0.67 0.02 0.00 0.00 176.35 178.35 3iw4 n ASP 332 N 1.39 5.67 -4.75 2.29 2.03 -1.26 -4.97 116.55 116.95 3iw4 n ASP 332 Ca -0.23 -2.69 -0.41 0.00 0.52 0.00 0.00 54.79 51.98 3iw4 n ASP 332 Cb 0.56 -1.29 -0.03 0.00 -0.72 0.00 0.00 41.12 39.64 3iw4 n ASP 332 CO 0.00 0.00 0.00 -0.60 -1.92 0.00 0.00 177.20 174.68 3iw4 s ARG 333 N -0.09 4.40 0.06 -0.67 3.52 -1.26 -5.01 118.95 119.91 3iw4 s ARG 333 Ca 0.50 2.11 0.03 0.00 -0.13 0.00 0.00 55.73 58.23 3iw4 s ARG 333 Cb 0.27 -3.14 -0.03 0.00 -1.56 0.00 0.00 34.95 30.50 3iw4 s ARG 333 CO -0.05 -0.17 -0.10 0.54 -0.81 0.00 0.00 175.30 174.71 3iw4 s VAL 334 N -0.59 0.74 0.43 7.11 0.11 -1.26 -5.16 120.40 121.78 3iw4 s VAL 334 Ca 0.52 -1.25 0.07 0.00 -2.93 0.00 0.00 61.98 58.39 3iw4 s VAL 334 Cb -0.38 -0.87 -0.05 0.00 -1.53 0.00 0.00 36.38 33.56 3iw4 s VAL 334 CO 0.45 -0.39 0.15 -0.54 -3.33 0.00 0.00 175.10 171.45 3iw4 s LYS 335 N -1.87 2.18 0.25 1.54 1.02 -1.26 -4.94 119.74 116.66 3iw4 s LYS 335 Ca -0.05 -1.94 -0.04 0.00 0.02 0.00 0.00 55.97 53.97 3iw4 s LYS 335 Cb -0.08 -1.90 0.30 0.00 -0.52 0.00 0.00 37.83 35.62 3iw4 s LYS 335 CO 0.01 -0.15 1.79 1.25 -0.92 0.00 0.00 175.35 177.32 3iw4 h LEU 336 N 1.43 0.88 0.00 3.17 5.85 -2.00 -1.74 115.31 122.91 3iw4 h LEU 336 Ca -0.43 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.13 3iw4 h LEU 336 Cb 1.26 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 42.06 3iw4 h LEU 336 CO 0.71 0.85 0.00 0.35 -0.34 0.00 0.00 178.44 180.02 3iw4 n THR 337 N -4.26 0.82 0.92 1.05 -2.24 -1.26 -2.53 114.28 106.77 3iw4 n THR 337 Ca 0.05 0.20 0.13 0.00 -2.27 0.00 0.00 64.05 62.16 3iw4 n THR 337 Cb 0.23 -1.06 0.52 0.00 -2.10 0.00 0.00 70.33 67.92 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 -1.29 0.24 -4.38 3.42 8.00 -0.65 -4.90 116.55 116.98 3iw4 n ASP 338 Ca 0.04 0.40 -0.23 0.00 0.71 0.00 0.00 54.79 55.72 3iw4 n ASP 338 Cb 0.07 -0.43 -0.11 0.00 -0.02 0.00 0.00 41.12 40.63 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 -3.02 2.00 -0.24 1.24 0.08 -1.05 -1.87 117.98 115.11 3iw4 s PHE 339 Ca 0.13 -0.44 -0.07 0.00 0.12 0.00 0.00 56.93 56.68 3iw4 s PHE 339 Cb 0.17 -0.95 -0.03 0.00 -0.57 0.00 0.00 43.02 41.65 3iw4 s PHE 339 CO 0.57 0.45 0.05 -0.80 -0.10 0.00 0.00 175.22 175.39 3iw4 s ASN 340 N -2.95 5.02 -0.04 1.36 0.01 0.17 -4.88 114.94 113.64 3iw4 s ASN 340 Ca 0.21 -0.22 -0.30 0.00 -0.71 0.00 0.00 52.86 51.84 3iw4 s ASN 340 Cb -0.05 -1.89 -0.06 0.00 0.41 0.00 0.00 41.25 39.65 3iw4 s ASN 340 CO 0.09 -0.02 1.76 -0.36 -1.51 0.00 0.00 177.10 177.06 3iw4 s PHE 341 N 1.50 1.76 -0.11 2.20 0.08 -1.26 -1.17 117.98 120.97 3iw4 s PHE 341 Ca 0.06 0.02 -0.05 0.00 0.12 0.00 0.00 56.93 57.08 3iw4 s PHE 341 Cb -0.15 -4.02 -0.02 0.00 -0.57 0.00 0.00 43.02 38.27 3iw4 s PHE 341 CO 0.03 -4.33 -0.09 -0.07 -0.10 0.00 0.00 175.22 170.65 3iw4 h LEU 342 N 10.52 0.00 -7.98 -0.37 3.38 -0.46 -3.42 115.31 116.99 3iw4 h LEU 342 Ca -0.42 0.00 0.08 0.00 0.09 0.00 0.00 57.88 57.62 3iw4 h LEU 342 Cb 1.20 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.89 3iw4 h LEU 342 CO 0.95 0.55 0.25 0.00 0.09 0.00 0.00 178.44 180.28 3iw4 s MET 343 N -1.81 1.76 -0.16 1.13 0.23 -1.06 -4.62 119.30 114.75 3iw4 s MET 343 Ca -0.07 -0.98 -0.29 0.00 -1.03 0.00 0.00 55.69 53.32 3iw4 s MET 343 Cb 0.01 0.60 -0.01 0.00 -1.53 0.00 0.00 34.83 33.90 3iw4 s MET 343 CO 0.11 -0.81 1.20 0.08 -2.03 0.00 0.00 175.02 173.58 3iw4 s VAL 344 N -3.85 4.37 0.11 5.16 1.01 -1.26 0.14 120.40 126.08 3iw4 s VAL 344 Ca 0.11 1.66 -0.12 0.00 0.00 0.00 0.00 61.98 63.63 3iw4 s VAL 344 Cb -0.06 -4.07 -0.14 0.00 0.00 0.00 0.00 36.38 32.11 3iw4 s VAL 344 CO 0.07 -0.12 1.33 -0.07 0.00 0.00 0.00 175.10 176.30 3iw4 h LEU 345 N 9.43 0.96 0.00 3.92 3.38 0.71 -3.45 115.31 130.25 3iw4 h LEU 345 Ca -0.26 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.11 3iw4 h LEU 345 Cb 1.10 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3iw4 h LEU 345 CO 0.96 1.40 0.00 0.61 0.09 0.00 0.00 178.44 181.50 3iw4 n GLY 346 N 0.63 -0.99 3.09 0.83 0.00 -0.81 -5.02 105.19 102.92 3iw4 n GLY 346 Ca -0.07 -1.06 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 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 0.57 0.00 1.61 1.02 -1.26 -0.66 119.74 119.02 3iw4 s LYS 347 Ca 0.00 -0.92 0.00 0.00 0.02 0.00 0.00 55.97 55.07 3iw4 s LYS 347 Cb 0.00 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 3iw4 s LYS 347 CO 0.00 -0.13 0.00 0.41 -0.92 0.00 0.00 175.35 174.71 3iw4 n GLY 348 N 0.59 -0.88 0.42 -3.33 0.00 -1.06 -4.92 105.19 96.00 3iw4 n GLY 348 Ca -0.18 -1.10 0.22 0.00 0.00 0.00 0.00 46.02 44.97 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 0.33 0.00 1.61 4.64 -2.05 0.14 113.55 118.22 3iw4 h SER 349 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3iw4 h SER 349 Cb 0.00 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.07 3iw4 h SER 349 CO 0.00 0.11 0.00 2.22 -0.87 0.00 0.00 176.83 178.29 3iw4 n PHE 350 N -4.48 0.00 -3.62 4.77 -0.00 -1.26 -4.96 117.46 107.91 3iw4 n PHE 350 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.65 3iw4 n PHE 350 Cb 0.79 -0.02 0.00 0.00 -0.00 0.00 0.00 39.48 40.25 3iw4 n PHE 350 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3iw4 n GLY 351 N 0.13 -1.31 3.57 4.97 0.00 0.50 -4.79 105.19 108.25 3iw4 n GLY 351 Ca 0.00 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.32 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 3.89 -0.28 1.61 2.20 -1.19 -2.57 119.74 123.39 3iw4 s LYS 352 Ca 0.00 -0.37 -0.04 0.00 -0.36 0.00 0.00 55.97 55.20 3iw4 s LYS 352 Cb 0.00 -3.40 0.02 0.00 -1.51 0.00 0.00 37.83 32.95 3iw4 s LYS 352 CO 0.00 0.00 0.01 0.08 -0.36 0.00 0.00 175.35 175.08 3iw4 s VAL 353 N 1.16 3.35 -0.07 4.02 1.01 0.16 -0.25 120.40 129.78 3iw4 s VAL 353 Ca 0.06 -0.97 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 3iw4 s VAL 353 Cb -0.14 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 3iw4 s VAL 353 CO 0.04 0.08 0.07 -0.32 0.00 0.00 0.00 175.10 174.97 3iw4 s MET 354 N 1.38 3.14 -0.18 2.72 1.75 -0.36 0.12 119.30 127.88 3iw4 s MET 354 Ca 0.00 -0.35 -0.22 0.00 -1.25 0.00 0.00 55.69 53.88 3iw4 s MET 354 Cb -0.17 -2.93 -0.03 0.00 2.84 0.00 0.00 34.83 34.54 3iw4 s MET 354 CO -0.01 0.71 0.66 -1.17 -0.65 0.00 0.00 175.02 174.56 3iw4 s LEU 355 N -1.18 4.17 0.20 4.11 2.96 0.38 -0.49 118.68 128.83 3iw4 s LEU 355 Ca 0.17 0.91 0.08 0.00 -0.22 0.00 0.00 54.13 55.07 3iw4 s LEU 355 Cb -0.12 -2.95 -0.05 0.00 0.50 0.00 0.00 46.19 43.58 3iw4 s LEU 355 CO 0.06 -0.27 -0.15 0.00 -1.32 0.00 0.00 176.35 174.68 3iw4 s ALA 356 N 1.79 2.00 -0.04 5.97 0.00 0.04 0.34 121.76 131.85 3iw4 s ALA 356 Ca 0.31 -1.63 0.05 0.00 0.00 0.00 0.00 51.96 50.69 3iw4 s ALA 356 Cb -0.16 -0.09 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3iw4 s ALA 356 CO 0.11 0.08 -0.20 0.34 0.00 0.00 0.00 175.76 176.09 3iw4 s ASP 357 N -3.23 3.51 -0.51 0.00 2.15 -0.32 -0.04 116.67 118.22 3iw4 s ASP 357 Ca 0.21 -0.36 -0.21 0.00 0.43 0.00 0.00 52.55 52.62 3iw4 s ASP 357 Cb -0.01 -0.69 0.05 0.00 -0.30 0.00 0.00 42.92 41.97 3iw4 s ASP 357 CO 0.07 0.31 0.76 -0.60 -0.17 0.00 0.00 175.17 175.54 3iw4 s ARG 358 N -0.55 3.24 -0.00 4.34 3.52 0.10 -0.65 118.95 128.95 3iw4 s ARG 358 Ca 0.08 -0.54 -0.18 0.00 -0.13 0.00 0.00 55.73 54.95 3iw4 s ARG 358 Cb -0.11 -4.06 -0.09 0.00 -1.56 0.00 0.00 34.95 29.13 3iw4 s ARG 358 CO 0.01 -1.30 0.48 1.17 -0.81 0.00 0.00 175.30 174.85 3iw4 n LYS 359 N 6.73 0.00 0.00 5.12 4.81 -0.78 -1.20 118.16 132.83 3iw4 n LYS 359 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 3iw4 n LYS 359 Cb 0.47 -0.67 0.00 0.00 0.02 0.00 0.00 35.03 34.84 3iw4 n LYS 359 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3iw4 n GLY 360 N 0.67 2.36 2.68 3.14 0.00 -1.26 -4.97 105.19 107.82 3iw4 n GLY 360 Ca 0.09 -0.52 -0.15 0.00 0.00 0.00 0.00 46.02 45.44 3iw4 n GLY 360 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3iw4 n THR 361 N 0.00 0.00 1.10 2.61 -2.24 -0.34 -4.99 114.28 110.42 3iw4 n THR 361 Ca 0.00 -1.14 0.12 0.00 -2.27 0.00 0.00 64.05 60.76 3iw4 n THR 361 Cb 0.00 -0.97 0.15 0.00 -2.10 0.00 0.00 70.33 67.42 3iw4 n THR 361 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 3iw4 n GLU 362 N -2.19 1.64 -3.15 -0.78 4.07 -1.26 -4.67 120.64 114.31 3iw4 n GLU 362 Ca 0.11 -1.28 -0.39 0.00 -0.06 0.00 0.00 57.16 55.54 3iw4 n GLU 362 Cb 0.41 -1.47 -0.06 0.00 -0.06 0.00 0.00 31.44 30.26 3iw4 n GLU 362 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 3iw4 s GLU 363 N -2.24 4.36 0.02 5.31 2.12 -1.26 -4.90 118.70 122.11 3iw4 s GLU 363 Ca 0.25 0.92 0.03 0.00 0.36 0.00 0.00 54.97 56.53 3iw4 s GLU 363 Cb 0.19 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 31.29 3iw4 s GLU 363 CO 0.43 0.59 -0.03 -0.51 -0.54 0.00 0.00 175.26 175.21 3iw4 s LEU 364 N -1.07 3.36 0.14 2.70 1.02 -1.26 -0.72 118.68 122.86 3iw4 s LEU 364 Ca 0.32 -0.11 0.06 0.00 0.02 0.00 0.00 54.13 54.42 3iw4 s LEU 364 Cb -0.21 -1.97 -0.04 0.00 0.02 0.00 0.00 46.19 43.99 3iw4 s LEU 364 CO 0.22 0.26 -0.13 -0.31 0.02 0.00 0.00 176.35 176.41 3iw4 s TYR 365 N -1.10 1.40 -0.11 0.29 1.51 0.95 -4.23 117.35 116.05 3iw4 s TYR 365 Ca 0.20 -0.63 -0.12 0.00 -1.01 0.00 0.00 57.07 55.51 3iw4 s TYR 365 Cb -0.11 -0.71 -0.05 0.00 -0.11 0.00 0.00 41.96 40.98 3iw4 s TYR 365 CO 0.11 0.16 0.29 0.00 -1.11 0.00 0.00 175.55 175.00 3iw4 s ALA 366 N -2.70 3.68 -0.25 3.71 0.00 -0.81 -0.78 121.76 124.62 3iw4 s ALA 366 Ca 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3iw4 s ALA 366 Cb -0.02 -2.29 0.07 0.00 0.00 0.00 0.00 23.12 20.88 3iw4 s ALA 366 CO 0.03 0.31 -0.01 0.42 0.00 0.00 0.00 175.76 176.51 3iw4 s ILE 367 N -0.28 1.32 0.05 0.00 1.01 0.36 -0.17 121.20 123.49 3iw4 s ILE 367 Ca 0.18 -1.23 -0.30 0.00 0.00 0.00 0.00 60.65 59.30 3iw4 s ILE 367 Cb -0.14 -1.72 -0.05 0.00 0.01 0.00 0.00 42.46 40.57 3iw4 s ILE 367 CO 0.06 -0.25 1.08 -0.75 0.00 0.00 0.00 174.94 175.08 3iw4 s LYS 368 N 1.47 4.52 -0.06 2.79 2.20 -0.23 -1.23 119.74 129.20 3iw4 s LYS 368 Ca -0.01 1.59 0.06 0.00 -0.36 0.00 0.00 55.97 57.25 3iw4 s LYS 368 Cb -0.18 -3.39 -0.01 0.00 -1.51 0.00 0.00 37.83 32.73 3iw4 s LYS 368 CO -0.09 -0.10 -0.25 0.42 -0.36 0.00 0.00 175.35 174.96 3iw4 s ILE 369 N 0.85 2.03 0.02 5.43 1.01 0.65 -0.79 121.20 130.40 3iw4 s ILE 369 Ca 0.54 -1.05 0.07 0.00 0.00 0.00 0.00 60.65 60.20 3iw4 s ILE 369 Cb -0.25 -1.72 -0.02 0.00 0.01 0.00 0.00 42.46 40.48 3iw4 s ILE 369 CO 0.29 0.56 -0.20 -0.76 0.00 0.00 0.00 174.94 174.84 3iw4 s LEU 370 N -0.16 2.12 -0.31 2.97 1.43 0.25 -3.17 118.68 121.81 3iw4 s LEU 370 Ca -0.04 -0.46 -0.24 0.00 -1.03 0.00 0.00 54.13 52.36 3iw4 s LEU 370 Cb -0.14 -0.97 0.00 0.00 0.03 0.00 0.00 46.19 45.12 3iw4 s LEU 370 CO 0.04 0.18 0.84 -0.54 0.23 0.00 0.00 176.35 177.10 3iw4 s LYS 371 N -0.91 3.97 0.23 1.70 1.02 -1.26 0.60 119.74 125.09 3iw4 s LYS 371 Ca 0.07 0.66 -0.07 0.00 0.02 0.00 0.00 55.97 56.66 3iw4 s LYS 371 Cb -0.08 -3.73 0.40 0.00 -0.52 0.00 0.00 37.83 33.89 3iw4 s LYS 371 CO 0.01 -0.72 1.70 0.87 -0.92 0.00 0.00 175.35 176.28 3iw4 h LYS 372 N 8.12 0.28 -0.06 1.68 1.57 -1.15 0.11 116.57 127.12 3iw4 h LYS 372 Ca -0.24 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.44 3iw4 h LYS 372 Cb 1.09 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.32 3iw4 h LYS 372 CO 0.91 0.19 -0.34 0.38 -0.57 0.00 0.00 179.45 180.02 3iw4 h ASP 373 N 0.29 0.12 0.15 0.86 2.03 -1.94 -0.02 116.42 117.91 3iw4 h ASP 373 Ca 0.38 -0.04 -0.01 0.00 -0.73 0.00 0.00 57.03 56.63 3iw4 h ASP 373 Cb 0.60 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.07 3iw4 h ASP 373 CO -0.46 0.46 -0.07 0.58 -1.03 0.00 0.00 179.24 178.72 3iw4 h VAL 374 N 0.11 0.99 -0.96 4.15 2.07 -1.40 -1.82 116.25 119.39 3iw4 h VAL 374 Ca 0.01 -0.99 0.30 0.00 0.82 0.00 0.00 66.70 66.84 3iw4 h VAL 374 Cb 0.66 1.56 -0.16 0.00 -1.52 0.00 0.00 31.29 31.83 3iw4 h VAL 374 CO 0.05 0.22 0.27 0.58 0.02 0.00 0.00 177.57 178.71 3iw4 h VAL 375 N -0.71 0.15 -0.16 2.57 2.07 -0.59 -1.78 116.25 117.81 3iw4 h VAL 375 Ca -0.02 -0.04 -0.11 0.00 0.82 0.00 0.00 66.70 67.35 3iw4 h VAL 375 Cb 0.51 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3iw4 h VAL 375 CO 0.03 0.02 -0.35 0.40 0.02 0.00 0.00 177.57 177.69 3iw4 h ILE 376 N 0.11 1.35 0.00 4.57 2.04 -0.89 -1.29 117.51 123.40 3iw4 h ILE 376 Ca 0.66 -1.61 0.00 0.00 1.00 0.00 0.00 64.86 64.90 3iw4 h ILE 376 Cb 1.47 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 39.54 3iw4 h ILE 376 CO -0.76 0.49 0.02 1.56 0.00 0.00 0.00 178.15 179.46 3iw4 h GLN 377 N 0.14 0.00 -0.45 2.37 1.08 -0.61 -2.65 115.11 114.99 3iw4 h GLN 377 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3iw4 h GLN 377 Cb 0.95 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 3iw4 h GLN 377 CO 0.08 0.00 0.00 -0.25 -0.95 0.00 0.00 178.83 177.71 3iw4 n ASP 378 N -2.99 4.95 -3.75 1.46 8.00 -0.74 -4.92 116.55 118.57 3iw4 n ASP 378 Ca -0.03 -2.94 -0.27 0.00 0.71 0.00 0.00 54.79 52.26 3iw4 n ASP 378 Cb 0.09 -0.62 -0.04 0.00 -0.02 0.00 0.00 41.12 40.52 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 0.19 -1.92 -1.11 -2.24 8.00 -1.00 -4.83 116.55 113.64 3iw4 n ASP 379 Ca 0.25 -0.59 0.12 0.00 0.71 0.00 0.00 54.79 55.28 3iw4 n ASP 379 Cb 1.06 -1.68 0.19 0.00 -0.02 0.00 0.00 41.12 40.67 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 -2.15 3.37 -0.06 -2.24 8.00 -0.52 -4.65 116.55 118.30 3iw4 n ASP 380 Ca 0.06 -1.99 -0.09 0.00 0.71 0.00 0.00 54.79 53.49 3iw4 n ASP 380 Cb 0.48 -0.20 -0.02 0.00 -0.02 0.00 0.00 41.12 41.35 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 4.46 0.29 0.01 2.53 2.07 -1.88 0.14 116.25 123.87 3iw4 h VAL 381 Ca 0.00 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 3iw4 h VAL 381 Cb 0.98 0.29 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 3iw4 h VAL 381 CO 0.00 0.00 -0.26 -0.08 0.02 0.00 0.00 177.57 177.25 3iw4 h GLU 382 N -0.29 -0.39 0.00 1.57 4.57 -1.94 -0.33 114.58 117.77 3iw4 h GLU 382 Ca 0.14 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 3iw4 h GLU 382 Cb 0.52 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 3iw4 h GLU 382 CO -0.44 -0.26 0.00 0.00 -1.18 0.00 0.00 179.01 177.13 3iw4 h THR 384 N 0.00 1.26 -0.10 0.00 2.02 0.80 -2.16 112.91 114.73 3iw4 h THR 384 Ca 0.00 -1.00 -0.12 0.00 0.77 0.00 0.00 66.41 66.06 3iw4 h THR 384 Cb 0.59 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3iw4 h THR 384 CO 0.00 0.34 -0.47 0.24 0.37 0.00 0.00 175.52 176.00 3iw4 h MET 385 N 0.58 0.24 -0.22 6.66 2.86 0.12 -2.62 114.93 122.56 3iw4 h MET 385 Ca 0.12 -0.13 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3iw4 h MET 385 Cb 0.47 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.12 3iw4 h MET 385 CO 0.02 0.67 0.04 0.28 1.06 0.00 0.00 176.91 178.98 3iw4 h VAL 386 N 0.19 1.22 -0.92 -2.22 2.07 -1.18 0.47 116.25 115.88 3iw4 h VAL 386 Ca 0.01 -0.73 0.09 0.00 0.82 0.00 0.00 66.70 66.89 3iw4 h VAL 386 Cb 0.91 1.28 -0.07 0.00 -1.52 0.00 0.00 31.29 31.89 3iw4 h VAL 386 CO 0.07 0.23 0.57 -0.08 0.02 0.00 0.00 177.57 178.38 3iw4 h GLU 387 N 0.17 0.94 0.44 1.57 4.81 -1.20 0.34 114.58 121.65 3iw4 h GLU 387 Ca 0.07 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3iw4 h GLU 387 Cb 0.31 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3iw4 h GLU 387 CO 0.00 0.62 -0.21 -0.22 -0.73 0.00 0.00 179.01 178.47 3iw4 h LYS 388 N 0.96 -0.57 -1.00 1.92 3.11 -1.19 0.29 116.57 120.10 3iw4 h LYS 388 Ca 0.43 0.04 0.16 0.00 -2.81 0.00 0.00 60.65 58.47 3iw4 h LYS 388 Cb 0.33 0.13 -0.10 0.00 -1.00 0.00 0.00 32.23 31.59 3iw4 h LYS 388 CO -0.22 -0.29 0.62 0.00 -2.81 0.00 0.00 179.45 176.74 3iw4 h ARG 389 N -0.77 0.84 -0.21 1.90 3.08 0.01 0.26 114.38 119.50 3iw4 h ARG 389 Ca -0.06 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.81 3iw4 h ARG 389 Cb 0.54 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.40 3iw4 h ARG 389 CO 0.10 0.56 -0.38 0.28 -1.07 0.00 0.00 179.97 179.45 3iw4 h VAL 390 N 0.87 1.32 0.00 2.04 2.07 -0.01 -2.40 116.25 120.14 3iw4 h VAL 390 Ca 0.54 -1.60 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 3iw4 h VAL 390 Cb 0.71 1.82 -0.00 0.00 -1.52 0.00 0.00 31.29 32.30 3iw4 h VAL 390 CO -0.32 0.50 -0.15 -0.07 0.02 0.00 0.00 177.57 177.54 3iw4 h LEU 391 N 0.32 0.00 -0.46 2.57 3.38 0.32 -3.03 115.31 118.42 3iw4 h LEU 391 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3iw4 h LEU 391 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3iw4 h LEU 391 CO 0.09 0.15 -0.24 0.00 0.09 0.00 0.00 178.44 178.53 3iw4 n ALA 392 N -2.22 3.04 -1.12 1.53 0.00 0.85 -4.53 120.51 118.05 3iw4 n ALA 392 Ca -0.01 -0.39 -0.36 0.00 0.00 0.00 0.00 53.44 52.69 3iw4 n ALA 392 Cb 0.34 -1.16 0.06 0.00 0.00 0.00 0.00 19.45 18.69 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 -0.68 -1.34 -4.91 0.00 4.77 -0.94 -4.98 117.00 108.91 3iw4 n LEU 393 Ca 0.12 0.47 -0.28 0.00 -0.03 0.00 0.00 56.01 56.29 3iw4 n LEU 393 Cb 0.34 -1.07 -0.03 0.00 -2.33 0.00 0.00 43.42 40.32 3iw4 n LEU 393 CO 0.26 -4.02 0.12 -0.76 -1.33 0.00 0.00 177.39 171.65 3iw4 s LEU 394 N 1.96 4.14 -0.94 2.23 1.43 -1.26 -4.47 118.68 121.77 3iw4 s LEU 394 Ca 0.58 0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 54.24 3iw4 s LEU 394 Cb -0.31 -3.36 0.00 0.00 0.03 0.00 0.00 46.19 42.55 3iw4 s LEU 394 CO 0.66 -0.12 0.10 0.47 0.23 0.00 0.00 176.35 177.69 3iw4 n ASP 395 N -0.77 -3.80 -4.75 2.29 8.00 -1.26 -4.94 116.55 111.31 3iw4 n ASP 395 Ca -0.03 -0.05 -0.41 0.00 0.71 0.00 0.00 54.79 55.01 3iw4 n ASP 395 Cb 0.54 -2.93 -0.03 0.00 -0.02 0.00 0.00 41.12 38.68 3iw4 n ASP 395 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3iw4 s LYS 396 N -4.74 4.40 1.01 -1.24 1.02 -1.26 -5.00 119.74 113.93 3iw4 s LYS 396 Ca 0.05 2.07 -0.13 0.00 0.02 0.00 0.00 55.97 57.98 3iw4 s LYS 396 Cb -0.02 -3.16 0.11 0.00 -0.52 0.00 0.00 37.83 34.24 3iw4 s LYS 396 CO 0.06 -0.19 0.60 -2.30 -0.92 0.00 0.00 175.35 172.59 3iw4 n PRO 397 N 2.03 -0.91 -0.00 -1.68 -0.02 -1.26 -4.90 135.00 128.27 3iw4 n PRO 397 Ca 0.04 -0.22 0.16 0.00 -2.02 0.00 0.00 63.50 61.45 3iw4 n PRO 397 Cb 0.43 -2.00 0.87 0.00 -0.02 0.00 0.00 33.50 32.77 3iw4 n PRO 397 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3iw4 n PRO 398 N -2.88 1.12 0.00 0.52 -0.04 -1.26 -3.20 135.00 129.26 3iw4 n PRO 398 Ca 0.06 -0.17 0.14 0.00 -0.04 0.00 0.00 63.50 63.49 3iw4 n PRO 398 Cb 0.55 -1.49 0.56 0.00 -0.04 0.00 0.00 33.50 33.08 3iw4 n PRO 398 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3iw4 n PHE 399 N -0.79 0.00 -4.11 0.54 3.72 -1.26 -4.74 117.46 110.83 3iw4 n PHE 399 Ca 0.23 0.00 -0.34 0.00 -0.05 0.00 0.00 57.45 57.29 3iw4 n PHE 399 Cb 0.15 -0.13 -0.07 0.00 -0.94 0.00 0.00 39.48 38.49 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 -2.39 3.94 0.21 4.37 1.43 -1.20 0.29 118.68 125.35 3iw4 s LEU 400 Ca 0.30 0.21 -0.32 0.00 -1.03 0.00 0.00 54.13 53.29 3iw4 s LEU 400 Cb 0.20 -2.18 -0.12 0.00 0.03 0.00 0.00 46.19 44.12 3iw4 s LEU 400 CO 0.46 0.31 1.69 0.35 0.23 0.00 0.00 176.35 179.39 3iw4 n THR 401 N 1.47 0.09 -2.36 5.49 -2.24 0.33 -4.80 114.28 112.27 3iw4 n THR 401 Ca -0.15 -0.02 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 3iw4 n THR 401 Cb 0.53 -1.91 -0.03 0.00 -2.10 0.00 0.00 70.33 66.82 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 0.99 4.48 -0.26 -0.78 -0.21 -1.26 -4.94 119.66 117.68 3iw4 s GLN 402 Ca 0.75 1.90 -0.17 0.00 0.02 0.00 0.00 55.36 57.86 3iw4 s GLN 402 Cb -0.53 -3.23 -0.03 0.00 1.00 0.00 0.00 33.01 30.22 3iw4 s GLN 402 CO 0.34 -0.09 0.47 -1.17 -2.12 0.00 0.00 175.29 172.72 3iw4 s LEU 403 N -0.31 4.05 -0.04 2.90 2.96 -1.26 -1.22 118.68 125.75 3iw4 s LEU 403 Ca 0.53 0.45 -0.07 0.00 -0.22 0.00 0.00 54.13 54.82 3iw4 s LEU 403 Cb -0.33 -2.59 -0.04 0.00 0.50 0.00 0.00 46.19 43.73 3iw4 s LEU 403 CO 0.37 -0.25 0.38 -0.74 -1.32 0.00 0.00 176.35 174.79 3iw4 h HIS 404 N 8.05 -0.25 -3.27 5.38 -0.00 0.91 -3.41 115.15 122.56 3iw4 h HIS 404 Ca -0.30 -0.01 -0.03 0.00 -0.00 0.00 0.00 60.37 60.03 3iw4 h HIS 404 Cb 1.15 0.08 -0.12 0.00 -0.00 0.00 0.00 27.41 28.52 3iw4 h HIS 404 CO 0.75 -0.16 0.03 -1.54 -0.00 0.00 0.00 177.93 177.02 3iw4 s SER 405 N -4.53 -0.32 0.11 3.26 1.04 -0.74 -1.19 113.70 111.33 3iw4 s SER 405 Ca -0.04 -0.29 0.05 0.00 0.48 0.00 0.00 55.95 56.15 3iw4 s SER 405 Cb 0.00 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 3iw4 s SER 405 CO 0.12 -0.95 0.03 0.00 0.98 0.00 0.00 173.24 173.42 3iw4 s PHE 407 N -1.43 -0.30 0.09 0.00 -0.12 -0.98 -2.66 117.98 112.58 3iw4 s PHE 407 Ca 0.27 0.34 0.10 0.00 -0.05 0.00 0.00 56.93 57.59 3iw4 s PHE 407 Cb -0.11 0.50 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 3iw4 s PHE 407 CO 0.20 -0.37 -0.26 1.14 -0.05 0.00 0.00 175.22 175.87 3iw4 s GLN 408 N -2.08 1.61 0.39 1.99 -2.07 -1.26 -1.56 119.66 116.68 3iw4 s GLN 408 Ca 0.03 -1.23 0.02 0.00 -1.82 0.00 0.00 55.36 52.37 3iw4 s GLN 408 Cb -0.01 -1.95 0.07 0.00 -1.09 0.00 0.00 33.01 30.04 3iw4 s GLN 408 CO -0.04 0.48 0.53 0.25 -1.32 0.00 0.00 175.29 175.20 3iw4 n THR 409 N 1.35 0.00 0.28 3.63 -2.24 -0.66 -4.98 114.28 111.66 3iw4 n THR 409 Ca -0.17 -0.97 0.16 0.00 -2.27 0.00 0.00 64.05 60.80 3iw4 n THR 409 Cb 0.52 -0.97 0.83 0.00 -2.10 0.00 0.00 70.33 68.61 3iw4 n THR 409 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3iw4 h VAL 410 N -0.32 0.29 0.00 2.28 3.04 -2.02 -3.32 116.25 116.21 3iw4 h VAL 410 Ca -0.18 -0.42 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 3iw4 h VAL 410 Cb 0.70 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 3iw4 h VAL 410 CO 0.21 0.06 -0.55 -0.90 -1.01 0.00 0.00 177.57 175.38 3iw4 n ASP 411 N -3.36 2.74 -4.39 3.17 5.75 -1.26 -5.02 116.55 114.18 3iw4 n ASP 411 Ca -0.01 -0.00 -0.20 0.00 -0.01 0.00 0.00 54.79 54.57 3iw4 n ASP 411 Cb 0.22 0.55 -0.10 0.00 -1.03 0.00 0.00 41.12 40.76 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 -1.10 1.45 0.08 0.11 0.52 -1.25 -0.57 118.95 118.19 3iw4 s ARG 412 Ca 0.00 -1.70 0.09 0.00 -0.52 0.00 0.00 55.73 53.60 3iw4 s ARG 412 Cb 0.00 -1.10 -0.03 0.00 0.52 0.00 0.00 34.95 34.34 3iw4 s ARG 412 CO 0.00 0.08 -0.25 -0.51 0.02 0.00 0.00 175.30 174.64 3iw4 s LEU 413 N -3.38 2.22 -0.04 2.53 1.43 0.20 -1.65 118.68 119.99 3iw4 s LEU 413 Ca 0.27 -0.63 0.01 0.00 -1.03 0.00 0.00 54.13 52.75 3iw4 s LEU 413 Cb 0.02 -1.16 0.02 0.00 0.03 0.00 0.00 46.19 45.10 3iw4 s LEU 413 CO 0.10 0.20 -0.05 -0.31 0.23 0.00 0.00 176.35 176.52 3iw4 s TYR 414 N -0.91 0.74 -0.23 0.29 2.02 -0.60 -0.59 117.35 118.06 3iw4 s TYR 414 Ca 0.11 -0.20 -0.05 0.00 -0.37 0.00 0.00 57.07 56.56 3iw4 s TYR 414 Cb -0.10 -0.64 -0.02 0.00 -0.40 0.00 0.00 41.96 40.80 3iw4 s TYR 414 CO 0.03 -0.18 0.01 -0.06 -1.57 0.00 0.00 175.55 173.78 3iw4 s PHE 415 N 0.83 3.02 -0.31 2.71 0.40 0.03 -2.32 117.98 122.34 3iw4 s PHE 415 Ca -0.11 -0.69 -0.15 0.00 -0.60 0.00 0.00 56.93 55.38 3iw4 s PHE 415 Cb -0.14 -2.16 -0.03 0.00 0.51 0.00 0.00 43.02 41.21 3iw4 s PHE 415 CO 0.00 -0.44 0.36 0.08 0.70 0.00 0.00 175.22 175.92 3iw4 s VAL 416 N 1.49 5.17 0.35 -0.44 1.01 0.20 -1.07 120.40 127.11 3iw4 s VAL 416 Ca 0.06 0.31 0.09 0.00 0.00 0.00 0.00 61.98 62.44 3iw4 s VAL 416 Cb -0.15 -3.75 -0.06 0.00 0.00 0.00 0.00 36.38 32.41 3iw4 s VAL 416 CO -0.00 0.04 -0.06 -0.04 0.00 0.00 0.00 175.10 175.03 3iw4 s MET 417 N 2.05 1.88 0.69 2.72 -1.94 0.76 0.14 119.30 125.61 3iw4 s MET 417 Ca 0.13 -1.93 -0.15 0.00 -1.71 0.00 0.00 55.69 52.03 3iw4 s MET 417 Cb -0.16 -1.74 0.02 0.00 2.01 0.00 0.00 34.83 34.96 3iw4 s MET 417 CO 0.11 0.11 1.16 -1.83 -0.01 0.00 0.00 175.02 174.57 3iw4 s GLU 418 N -3.64 2.47 -0.32 2.03 -1.05 -0.35 -1.93 118.70 115.90 3iw4 s GLU 418 Ca 0.33 1.60 -0.17 0.00 -0.15 0.00 0.00 54.97 56.59 3iw4 s GLU 418 Cb 0.03 -1.89 -0.01 0.00 -0.44 0.00 0.00 34.13 31.82 3iw4 s GLU 418 CO 0.17 -1.55 0.45 -0.47 0.95 0.00 0.00 175.26 174.82 3iw4 s TYR 419 N -2.12 3.21 -0.38 4.83 5.04 -1.26 -3.84 117.35 122.83 3iw4 s TYR 419 Ca 0.71 0.23 -0.09 0.00 -2.44 0.00 0.00 57.07 55.48 3iw4 s TYR 419 Cb -0.25 -2.78 0.05 0.00 0.35 0.00 0.00 41.96 39.32 3iw4 s TYR 419 CO 0.43 -0.43 0.20 0.08 -1.34 0.00 0.00 175.55 174.48 3iw4 s VAL 420 N 2.24 4.21 -0.77 3.14 1.01 -1.26 -4.97 120.40 124.00 3iw4 s VAL 420 Ca 0.17 -1.15 0.07 0.00 0.00 0.00 0.00 61.98 61.07 3iw4 s VAL 420 Cb -0.16 -3.45 0.13 0.00 0.00 0.00 0.00 36.38 32.90 3iw4 s VAL 420 CO 0.12 -0.32 0.94 -0.46 0.00 0.00 0.00 175.10 175.38 3iw4 n ASN 421 N 4.91 2.10 -1.71 3.32 6.94 -1.26 -4.64 115.26 124.91 3iw4 n ASN 421 Ca -0.11 -1.64 -0.08 0.00 -0.02 0.00 0.00 54.58 52.73 3iw4 n ASN 421 Cb 0.44 -0.07 0.19 0.00 -2.36 0.00 0.00 39.78 37.98 3iw4 n ASN 421 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3iw4 n GLY 422 N 0.29 3.27 0.37 4.83 0.00 0.56 -4.82 105.19 109.70 3iw4 n GLY 422 Ca 0.06 -0.72 0.05 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.21 -2.75 3.95 -0.02 0.00 -1.20 -4.14 105.19 100.82 3iw4 n GLY 423 Ca 0.33 -1.35 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 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 -4.92 6.20 0.20 1.61 1.47 -1.26 0.97 116.67 120.93 3iw4 s ASP 424 Ca 0.00 0.02 -0.08 0.00 1.18 0.00 0.00 52.55 53.67 3iw4 s ASP 424 Cb 0.00 -1.79 0.14 0.00 -0.34 0.00 0.00 42.92 40.93 3iw4 s ASP 424 CO 0.00 -0.06 1.70 0.25 0.68 0.00 0.00 175.17 177.74 3iw4 h LEU 425 N 1.23 1.04 -0.55 2.11 5.85 -1.02 -2.12 115.31 121.86 3iw4 h LEU 425 Ca -0.51 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.04 3iw4 h LEU 425 Cb 1.23 -0.28 -0.10 0.00 0.37 0.00 0.00 40.66 41.89 3iw4 h LEU 425 CO 0.61 1.03 -0.48 -0.03 -0.34 0.00 0.00 178.44 179.23 3iw4 h MET 426 N 1.02 -0.26 -0.03 1.25 1.85 -1.81 0.36 114.93 117.31 3iw4 h MET 426 Ca 0.20 0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.32 3iw4 h MET 426 Cb 0.43 0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.49 3iw4 h MET 426 CO 0.01 -0.17 -0.35 -0.92 -0.40 0.00 0.00 176.91 175.08 3iw4 h TYR 427 N -0.27 -1.03 -0.73 1.39 3.20 -1.78 0.27 116.97 118.02 3iw4 h TYR 427 Ca 0.14 0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.22 3iw4 h TYR 427 Cb 0.57 0.45 -0.04 0.00 1.54 0.00 0.00 36.73 39.25 3iw4 h TYR 427 CO -0.73 -0.37 0.50 0.45 -1.64 0.00 0.00 178.16 176.37 3iw4 h HIS 428 N -0.42 0.27 -0.12 -3.82 3.86 -1.01 0.78 115.15 114.69 3iw4 h HIS 428 Ca 0.01 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.22 3iw4 h HIS 428 Cb 0.46 -0.09 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 3iw4 h HIS 428 CO -0.49 0.09 0.03 0.82 0.86 0.00 0.00 177.93 179.25 3iw4 h ILE 429 N 0.22 1.19 -0.86 2.45 2.04 0.51 -3.08 117.51 119.99 3iw4 h ILE 429 Ca 0.36 -0.59 0.12 0.00 1.00 0.00 0.00 64.86 65.75 3iw4 h ILE 429 Cb 1.07 1.36 -0.06 0.00 -0.74 0.00 0.00 36.82 38.45 3iw4 h ILE 429 CO -0.07 0.17 0.56 1.56 0.00 0.00 0.00 178.15 180.36 3iw4 h GLN 430 N -0.00 0.70 0.00 2.37 4.20 0.26 0.20 115.11 122.84 3iw4 h GLN 430 Ca 0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3iw4 h GLN 430 Cb 0.24 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 3iw4 h GLN 430 CO -0.00 0.46 -0.03 1.96 -0.67 0.00 0.00 178.83 180.55 3iw4 h GLN 431 N 0.72 0.00 0.00 1.46 1.08 -1.12 -3.13 115.11 114.12 3iw4 h GLN 431 Ca 0.42 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.62 3iw4 h GLN 431 Cb 0.60 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.03 3iw4 h GLN 431 CO -0.18 0.03 0.00 1.33 -0.95 0.00 0.00 178.83 179.06 3iw4 n VAL 432 N -3.20 0.51 0.00 -0.54 0.24 -0.10 -5.02 118.33 110.22 3iw4 n VAL 432 Ca -0.01 -0.62 0.00 0.00 -2.04 0.00 0.00 64.34 61.67 3iw4 n VAL 432 Cb 0.22 0.83 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 3iw4 n VAL 432 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iw4 n GLY 433 N -0.25 1.50 3.59 7.63 0.00 -0.30 -4.72 105.19 112.64 3iw4 n GLY 433 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 1.51 0.35 1.61 -2.85 -1.26 -4.42 119.74 114.68 3iw4 s LYS 434 Ca 0.00 -1.10 -0.06 0.00 -1.00 0.00 0.00 55.97 53.81 3iw4 s LYS 434 Cb 0.00 0.50 -0.05 0.00 -2.06 0.00 0.00 37.83 36.22 3iw4 s LYS 434 CO 0.00 -0.64 0.64 -0.06 0.10 0.00 0.00 175.35 175.39 3iw4 s PHE 435 N -3.96 3.49 0.37 1.78 0.08 -0.00 -5.04 117.98 114.69 3iw4 s PHE 435 Ca 0.17 0.74 -0.27 0.00 0.12 0.00 0.00 56.93 57.69 3iw4 s PHE 435 Cb -0.01 -2.19 -0.09 0.00 -0.57 0.00 0.00 43.02 40.15 3iw4 s PHE 435 CO 0.05 0.04 1.22 -1.59 -0.10 0.00 0.00 175.22 174.85 3iw4 s LYS 436 N -3.84 4.18 0.25 0.44 -2.85 -1.26 -4.74 119.74 111.91 3iw4 s LYS 436 Ca 0.46 2.00 -0.13 0.00 -1.00 0.00 0.00 55.97 57.30 3iw4 s LYS 436 Cb -0.10 -2.86 0.33 0.00 -2.06 0.00 0.00 37.83 33.14 3iw4 s LYS 436 CO 0.33 -0.26 1.57 1.49 0.10 0.00 0.00 175.35 178.58 3iw4 h GLU 437 N 2.97 -0.02 -0.78 1.78 4.81 -1.95 0.19 114.58 121.59 3iw4 h GLU 437 Ca -0.49 0.00 0.18 0.00 -0.13 0.00 0.00 59.36 58.92 3iw4 h GLU 437 Cb 1.23 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 30.48 3iw4 h GLU 437 CO 0.64 -0.01 -0.02 -1.35 -0.73 0.00 0.00 179.01 177.53 3iw4 h PRO 438 N -0.02 0.08 -0.09 0.92 0.11 -1.99 0.49 132.00 131.50 3iw4 h PRO 438 Ca 0.39 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.36 3iw4 h PRO 438 Cb 0.64 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.74 3iw4 h PRO 438 CO -0.93 0.05 -0.50 -0.56 -0.21 0.00 0.00 178.00 175.86 3iw4 h GLN 439 N 0.08 0.49 -0.75 1.05 3.07 -1.34 -2.17 115.11 115.54 3iw4 h GLN 439 Ca 0.42 -0.41 0.17 0.00 0.09 0.00 0.00 58.65 58.92 3iw4 h GLN 439 Cb 0.74 0.09 -0.13 0.00 0.08 0.00 0.00 27.48 28.27 3iw4 h GLN 439 CO -0.71 1.05 0.06 0.00 0.09 0.00 0.00 178.83 179.31 3iw4 h ALA 440 N 0.45 0.84 0.36 0.06 0.00 -0.91 0.68 119.26 120.75 3iw4 h ALA 440 Ca -0.04 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3iw4 h ALA 440 Cb 1.15 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 3iw4 h ALA 440 CO 0.10 -0.41 -0.33 0.28 0.00 0.00 0.00 179.25 178.90 3iw4 h VAL 441 N 0.14 0.33 -0.61 0.00 2.07 0.10 0.58 116.25 118.87 3iw4 h VAL 441 Ca 0.42 0.00 0.13 0.00 0.82 0.00 0.00 66.70 68.06 3iw4 h VAL 441 Cb 0.73 0.33 -0.11 0.00 -1.52 0.00 0.00 31.29 30.72 3iw4 h VAL 441 CO -0.62 0.00 -0.06 0.15 0.02 0.00 0.00 177.57 177.06 3iw4 h PHE 442 N -0.70 -0.16 0.32 1.57 3.57 -0.68 0.72 116.94 121.58 3iw4 h PHE 442 Ca -0.03 0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3iw4 h PHE 442 Cb 0.62 0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.53 3iw4 h PHE 442 CO -0.18 -0.21 -0.15 1.88 -2.23 0.00 0.00 178.31 177.42 3iw4 h TYR 443 N 0.06 -0.40 -1.28 0.41 0.05 -0.44 -0.99 116.97 114.39 3iw4 h TYR 443 Ca 0.31 -0.01 0.38 0.00 0.05 0.00 0.00 58.73 59.46 3iw4 h TYR 443 Cb 0.49 0.13 -0.10 0.00 1.01 0.00 0.00 36.73 38.27 3iw4 h TYR 443 CO -0.42 -0.13 0.86 0.00 -1.05 0.00 0.00 178.16 177.42 3iw4 h ALA 444 N -0.00 2.79 0.03 3.88 0.00 0.73 -1.66 119.26 125.03 3iw4 h ALA 444 Ca -0.04 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 3iw4 h ALA 444 Cb 0.44 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3iw4 h ALA 444 CO 0.07 -1.28 -0.02 0.00 0.00 0.00 0.00 179.25 178.03 3iw4 h ALA 445 N 1.50 -0.05 -0.54 0.00 0.00 -0.14 -2.18 119.26 117.86 3iw4 h ALA 445 Ca 0.71 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 55.46 3iw4 h ALA 445 Cb 2.31 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 20.09 3iw4 h ALA 445 CO -0.25 -0.06 0.37 0.93 0.00 0.00 0.00 179.25 180.24 3iw4 h GLU 446 N -0.97 0.28 0.19 0.00 5.08 -0.76 -2.72 114.58 115.67 3iw4 h GLU 446 Ca -0.00 -0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 3iw4 h GLU 446 Cb 0.55 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3iw4 h GLU 446 CO 0.01 0.18 -0.09 0.82 -1.00 0.00 0.00 179.01 178.93 3iw4 h ILE 447 N 0.29 0.91 -0.96 3.13 2.04 -1.37 -3.14 117.51 118.42 3iw4 h ILE 447 Ca 0.25 -0.82 0.29 0.00 1.00 0.00 0.00 64.86 65.58 3iw4 h ILE 447 Cb 0.61 1.38 -0.15 0.00 -0.74 0.00 0.00 36.82 37.93 3iw4 h ILE 447 CO -0.06 0.18 0.43 0.77 0.00 0.00 0.00 178.15 179.47 3iw4 h SER 448 N -0.68 0.31 -0.60 1.72 4.64 -1.08 0.20 113.55 118.06 3iw4 h SER 448 Ca -0.03 0.19 0.07 0.00 -0.47 0.00 0.00 61.79 61.56 3iw4 h SER 448 Cb 0.48 0.19 -0.06 0.00 -0.31 0.00 0.00 62.40 62.70 3iw4 h SER 448 CO 0.04 -0.14 0.28 0.40 -0.87 0.00 0.00 176.83 176.54 3iw4 h ILE 449 N 0.28 0.88 -0.28 0.95 1.08 -1.47 0.57 117.51 119.52 3iw4 h ILE 449 Ca 0.66 -0.18 0.06 0.00 -0.39 0.00 0.00 64.86 65.02 3iw4 h ILE 449 Cb 1.44 0.32 -0.06 0.00 -3.07 0.00 0.00 36.82 35.45 3iw4 h ILE 449 CO -0.63 0.09 -0.13 1.23 -0.69 0.00 0.00 178.15 178.03 3iw4 h GLY 450 N 0.52 0.11 0.94 5.37 0.00 -0.66 -1.95 103.07 107.40 3iw4 h GLY 450 Ca 0.28 0.16 -0.02 0.00 0.00 0.00 0.00 47.33 47.75 3iw4 h GLY 450 CO -0.23 -0.15 0.15 1.41 0.00 0.00 0.00 176.54 177.73 3iw4 h LEU 451 N -0.08 0.53 -0.50 3.11 3.38 -0.06 -0.23 115.31 121.47 3iw4 h LEU 451 Ca 0.15 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 58.04 3iw4 h LEU 451 Cb 0.30 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 40.84 3iw4 h LEU 451 CO -0.34 0.56 0.03 -0.26 0.09 0.00 0.00 178.44 178.52 3iw4 h PHE 452 N 0.47 0.03 0.34 1.13 0.04 0.07 0.18 116.94 119.20 3iw4 h PHE 452 Ca 0.13 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.91 3iw4 h PHE 452 Cb 0.19 0.06 0.00 0.00 2.20 0.00 0.00 35.95 38.41 3iw4 h PHE 452 CO -0.00 -0.08 -0.16 0.35 -0.60 0.00 0.00 178.31 177.81 3iw4 h PHE 453 N 0.15 -0.42 -0.50 -0.55 3.57 -0.78 -0.32 116.94 118.09 3iw4 h PHE 453 Ca 0.25 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.82 3iw4 h PHE 453 Cb 0.37 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 39.19 3iw4 h PHE 453 CO -0.29 -0.12 0.15 -0.07 -2.23 0.00 0.00 178.31 175.76 3iw4 h LEU 454 N -0.73 0.12 -0.40 0.59 3.38 -0.77 -2.39 115.31 115.11 3iw4 h LEU 454 Ca -0.05 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3iw4 h LEU 454 Cb 0.50 0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3iw4 h LEU 454 CO 0.08 0.09 0.12 0.45 0.09 0.00 0.00 178.44 179.27 3iw4 h HIS 455 N 0.31 0.66 -0.96 1.13 3.86 -0.51 -1.32 115.15 118.32 3iw4 h HIS 455 Ca 0.24 -0.07 0.25 0.00 -1.16 0.00 0.00 60.37 59.63 3iw4 h HIS 455 Cb 0.28 -0.19 -0.13 0.00 1.06 0.00 0.00 27.41 28.44 3iw4 h HIS 455 CO -0.18 0.62 0.51 -0.22 0.86 0.00 0.00 177.93 179.51 3iw4 h LYS 456 N 0.51 0.46 -0.20 2.45 3.64 -0.61 0.65 116.57 123.46 3iw4 h LYS 456 Ca 0.13 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 3iw4 h LYS 456 Cb 0.27 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3iw4 h LYS 456 CO -0.00 0.30 0.00 0.54 -2.27 0.00 0.00 179.45 178.02 3iw4 n ARG 457 N -4.97 1.12 -2.47 1.90 5.12 -0.79 -4.89 116.66 111.68 3iw4 n ARG 457 Ca 0.26 -0.15 -0.13 0.00 -1.93 0.00 0.00 57.85 55.89 3iw4 n ARG 457 Cb 0.74 -1.12 0.01 0.00 -1.16 0.00 0.00 32.46 30.93 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 0.47 -0.12 3.61 -0.13 0.00 0.23 -4.80 105.19 104.45 3iw4 n GLY 458 Ca 0.01 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.78 3.70 -0.12 -0.61 1.01 -0.57 0.15 121.20 121.99 3iw4 s ILE 459 Ca 0.09 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3iw4 s ILE 459 Cb -0.04 -2.63 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 3iw4 s ILE 459 CO 0.11 0.36 -0.17 -0.63 0.00 0.00 0.00 174.94 174.60 3iw4 s ILE 460 N -1.04 2.69 -0.06 2.92 1.01 -0.39 -3.78 121.20 122.54 3iw4 s ILE 460 Ca 0.18 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 59.84 3iw4 s ILE 460 Cb -0.11 -2.10 -0.16 0.00 0.01 0.00 0.00 42.46 40.11 3iw4 s ILE 460 CO 0.09 0.54 0.79 0.22 0.00 0.00 0.00 174.94 176.58 3iw4 h TYR 461 N 6.71 -0.16 0.00 3.97 3.20 -1.90 -1.58 116.97 127.21 3iw4 h TYR 461 Ca -0.23 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.63 3iw4 h TYR 461 Cb 1.22 0.05 0.00 0.00 1.54 0.00 0.00 36.73 39.55 3iw4 h TYR 461 CO 0.49 0.30 0.00 0.54 -1.64 0.00 0.00 178.16 177.85 3iw4 n ARG 462 N -4.88 -0.82 -1.43 1.82 1.74 -1.26 -3.55 116.66 108.28 3iw4 n ARG 462 Ca -0.07 0.21 0.03 0.00 -0.77 0.00 0.00 57.85 57.24 3iw4 n ARG 462 Cb 0.27 -3.99 0.01 0.00 -1.02 0.00 0.00 32.46 27.73 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 -0.41 0.80 -4.62 0.55 2.03 -1.26 -4.57 116.55 109.07 3iw4 n ASP 463 Ca 0.00 -2.00 -0.43 0.00 0.52 0.00 0.00 54.79 52.88 3iw4 n ASP 463 Cb 0.21 -0.25 -0.03 0.00 -0.72 0.00 0.00 41.12 40.33 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 3.77 0.16 -2.67 2.96 -1.26 -4.77 118.68 116.87 3iw4 s LEU 464 Ca 0.30 1.58 -0.23 0.00 -0.22 0.00 0.00 54.13 55.56 3iw4 s LEU 464 Cb 0.35 -3.53 0.07 0.00 0.50 0.00 0.00 46.19 43.58 3iw4 s LEU 464 CO -0.15 -1.42 0.60 -1.59 -1.32 0.00 0.00 176.35 172.47 3iw4 s LYS 465 N 5.05 1.29 0.35 1.98 -2.85 -1.26 -4.80 119.74 119.49 3iw4 s LYS 465 Ca 0.76 -0.48 0.12 0.00 -1.00 0.00 0.00 55.97 55.37 3iw4 s LYS 465 Cb -0.25 0.59 0.95 0.00 -2.06 0.00 0.00 37.83 37.06 3iw4 s LYS 465 CO 0.32 -0.57 1.75 -0.07 0.10 0.00 0.00 175.35 176.88 3iw4 h LEU 466 N 2.00 0.60 -0.82 2.77 3.38 -1.94 -1.59 115.31 119.72 3iw4 h LEU 466 Ca -0.34 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3iw4 h LEU 466 Cb 1.31 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3iw4 h LEU 466 CO 0.38 0.13 0.00 -0.78 0.09 0.00 0.00 178.44 178.25 3iw4 h ASP 467 N 0.54 0.00 0.00 -0.43 3.58 -1.96 -2.13 116.42 116.02 3iw4 h ASP 467 Ca 0.61 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.06 3iw4 h ASP 467 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 3iw4 h ASP 467 CO -0.39 0.00 -0.10 0.59 -2.88 0.00 0.00 179.24 176.46 3iw4 n ASN 468 N -2.51 2.26 -4.37 2.28 3.02 -0.60 -4.91 115.26 110.43 3iw4 n ASN 468 Ca 0.02 -1.69 -0.33 0.00 -0.03 0.00 0.00 54.58 52.56 3iw4 n ASN 468 Cb 0.28 0.09 -0.14 0.00 -0.61 0.00 0.00 39.78 39.39 3iw4 n ASN 468 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3iw4 s VAL 469 N -2.12 3.03 0.15 2.41 1.01 -0.80 -0.51 120.40 123.57 3iw4 s VAL 469 Ca 0.29 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.65 3iw4 s VAL 469 Cb 0.20 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 3iw4 s VAL 469 CO 0.37 0.52 -0.12 -0.04 0.00 0.00 0.00 175.10 175.84 3iw4 s MET 470 N 0.36 1.09 -0.15 2.72 -1.94 -0.14 -0.61 119.30 120.64 3iw4 s MET 470 Ca -0.11 -1.41 -0.06 0.00 -1.71 0.00 0.00 55.69 52.39 3iw4 s MET 470 Cb -0.16 -0.78 -0.04 0.00 2.01 0.00 0.00 34.83 35.86 3iw4 s MET 470 CO 0.06 0.12 0.07 -0.51 -0.01 0.00 0.00 175.02 174.75 3iw4 s LEU 471 N -2.99 3.91 0.00 -0.03 1.43 0.27 -1.18 118.68 120.09 3iw4 s LEU 471 Ca 0.15 0.18 -0.17 0.00 -1.03 0.00 0.00 54.13 53.27 3iw4 s LEU 471 Cb -0.00 -1.96 0.23 0.00 0.03 0.00 0.00 46.19 44.48 3iw4 s LEU 471 CO 0.02 0.26 1.25 -0.90 0.23 0.00 0.00 176.35 177.22 3iw4 n ASP 472 N 2.94 -0.24 0.26 2.29 5.68 -0.16 -0.32 116.55 127.00 3iw4 n ASP 472 Ca -0.18 -1.42 0.13 0.00 -0.50 0.00 0.00 54.79 52.83 3iw4 n ASP 472 Cb 0.53 -0.98 0.68 0.00 -1.14 0.00 0.00 41.12 40.21 3iw4 n ASP 472 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3iw4 h SER 473 N -1.85 0.00 0.90 -1.12 4.64 -1.89 0.09 113.55 114.32 3iw4 h SER 473 Ca -0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.91 3iw4 h SER 473 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3iw4 h SER 473 CO 0.29 0.13 -0.18 -0.62 -0.87 0.00 0.00 176.83 175.57 3iw4 n GLU 474 N -3.48 0.05 -0.31 4.77 1.02 -1.26 -4.13 120.64 117.30 3iw4 n GLU 474 Ca -0.01 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3iw4 n GLU 474 Cb 0.29 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.16 3iw4 n GLU 474 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3iw4 n GLY 475 N 1.47 0.84 3.86 0.62 0.00 0.02 -4.56 105.19 107.45 3iw4 n GLY 475 Ca 0.06 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 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 3.20 0.20 1.61 3.76 -1.26 -4.78 115.29 116.03 3iw4 s HIS 476 Ca 0.00 1.09 -0.28 0.00 -0.15 0.00 0.00 55.06 55.72 3iw4 s HIS 476 Cb 0.00 -3.07 -0.08 0.00 1.11 0.00 0.00 32.58 30.54 3iw4 s HIS 476 CO 0.00 -1.32 0.88 0.42 -0.85 0.00 0.00 174.74 173.88 3iw4 s ILE 477 N -3.29 4.21 -0.16 0.60 1.01 -1.26 -0.99 121.20 121.32 3iw4 s ILE 477 Ca 0.59 1.95 -0.00 0.00 0.00 0.00 0.00 60.65 63.18 3iw4 s ILE 477 Cb -0.12 -4.26 0.04 0.00 0.01 0.00 0.00 42.46 38.13 3iw4 s ILE 477 CO 0.53 0.50 -0.06 -0.54 0.00 0.00 0.00 174.94 175.36 3iw4 s LYS 478 N -1.09 1.50 0.10 2.79 -0.14 -0.32 -4.24 119.74 118.35 3iw4 s LYS 478 Ca 0.39 -0.50 -0.13 0.00 -1.36 0.00 0.00 55.97 54.38 3iw4 s LYS 478 Cb -0.25 -1.97 -0.06 0.00 -1.68 0.00 0.00 37.83 33.87 3iw4 s LYS 478 CO 0.30 -0.40 0.49 0.42 -0.76 0.00 0.00 175.35 175.39 3iw4 s ILE 479 N 1.63 4.95 0.29 2.17 1.01 0.15 -0.97 121.20 130.43 3iw4 s ILE 479 Ca 0.01 0.73 0.05 0.00 0.00 0.00 0.00 60.65 61.44 3iw4 s ILE 479 Cb -0.15 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.59 3iw4 s ILE 479 CO -0.08 0.31 0.29 0.00 0.00 0.00 0.00 174.94 175.46 3iw4 n ALA 480 N 1.00 0.42 -2.72 9.38 0.00 0.33 -0.51 120.51 128.41 3iw4 n ALA 480 Ca -0.07 -1.64 -0.02 0.00 0.00 0.00 0.00 53.44 51.71 3iw4 n ALA 480 Cb 0.52 1.33 -0.01 0.00 0.00 0.00 0.00 19.45 21.28 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 -1.81 -5.72 -1.56 0.00 2.03 -1.26 -4.82 116.55 103.40 3iw4 n ASP 481 Ca 0.05 1.35 -0.12 0.00 0.52 0.00 0.00 54.79 56.60 3iw4 n ASP 481 Cb 0.53 -5.04 0.19 0.00 -0.72 0.00 0.00 41.12 36.07 3iw4 n ASP 481 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3iw4 n PHE 482 N 1.08 1.81 0.76 -0.67 3.01 -1.26 -4.78 117.46 117.41 3iw4 n PHE 482 Ca -0.13 -1.73 0.00 0.00 1.01 0.00 0.00 57.45 56.61 3iw4 n PHE 482 Cb 0.22 -0.66 0.00 0.00 -0.01 0.00 0.00 39.48 39.03 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 -1.13 1.16 0.00 1.37 0.00 -1.26 -3.43 105.19 101.90 3iw4 n GLY 483 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.15 0.09 -1.90 1.61 2.81 -1.26 -4.91 117.12 113.70 3iw4 n MET 484 Ca 0.00 -0.31 -0.38 0.00 -1.81 0.00 0.00 57.70 55.20 3iw4 n MET 484 Cb 0.20 -0.55 0.03 0.00 -0.71 0.00 0.00 33.22 32.20 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 -2.98 2.98 0.08 0.00 2.47 -0.59 -4.95 119.74 116.75 3iw4 s LYS 486 Ca 0.72 -0.46 0.01 0.00 -1.56 0.00 0.00 55.97 54.69 3iw4 s LYS 486 Cb -0.36 -2.75 0.01 0.00 -1.46 0.00 0.00 37.83 33.27 3iw4 s LYS 486 CO 0.42 0.65 0.10 0.39 0.16 0.00 0.00 175.35 177.07 3iw4 n GLU 487 N 2.29 1.01 -2.96 4.03 1.02 -1.26 -1.26 120.64 123.51 3iw4 n GLU 487 Ca -0.18 -0.42 -0.18 0.00 -0.02 0.00 0.00 57.16 56.36 3iw4 n GLU 487 Cb 0.53 -0.02 -0.04 0.00 -0.02 0.00 0.00 31.44 31.89 3iw4 n GLU 487 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 3iw4 n HIS 488 N -1.10 -0.53 -2.99 -0.32 8.25 -1.19 -4.79 115.22 112.56 3iw4 n HIS 488 Ca 0.02 0.30 -0.44 0.00 -0.26 0.00 0.00 57.72 57.34 3iw4 n HIS 488 Cb 0.08 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 30.27 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 -2.20 3.73 -2.40 -0.41 2.81 0.12 -4.92 117.12 113.85 3iw4 n MET 489 Ca 0.00 -4.16 -0.24 0.00 -1.81 0.00 0.00 57.70 51.49 3iw4 n MET 489 Cb 0.23 -2.73 0.08 0.00 -0.71 0.00 0.00 33.22 30.08 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 -0.60 2.01 -0.34 0.03 -1.94 -1.26 -4.42 119.30 112.77 3iw4 s MET 490 Ca 0.36 -0.65 -0.07 0.00 -1.71 0.00 0.00 55.69 53.62 3iw4 s MET 490 Cb -0.01 -2.27 -0.09 0.00 2.01 0.00 0.00 34.83 34.46 3iw4 s MET 490 CO -0.00 -1.26 0.82 -3.47 -0.01 0.00 0.00 175.02 171.10 3iw4 n ASP 491 N -2.82 -0.18 0.00 3.03 2.03 -1.26 -0.14 116.55 117.22 3iw4 n ASP 491 Ca 0.11 -0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.36 3iw4 n ASP 491 Cb 0.60 -0.25 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 3iw4 n ASP 491 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3iw4 n GLY 492 N 2.03 0.47 3.79 0.27 0.00 -1.26 -5.03 105.19 105.45 3iw4 n GLY 492 Ca 0.22 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.00 3.41 -0.17 1.61 1.01 0.81 -5.06 120.40 120.01 3iw4 s VAL 493 Ca 0.00 0.46 -0.28 0.00 0.00 0.00 0.00 61.98 62.16 3iw4 s VAL 493 Cb 0.00 -3.09 0.08 0.00 0.00 0.00 0.00 36.38 33.37 3iw4 s VAL 493 CO 0.00 -0.60 0.74 0.28 0.00 0.00 0.00 175.10 175.52 3iw4 s THR 494 N -3.01 0.00 0.16 3.92 -1.32 -1.26 -4.61 115.64 109.52 3iw4 s THR 494 Ca 0.60 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 61.13 3iw4 s THR 494 Cb -0.16 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.79 3iw4 s THR 494 CO 0.55 0.00 -0.08 0.42 -2.21 0.00 0.00 174.62 173.30 3iw4 s THR 495 N -0.42 1.15 -0.44 5.08 -4.23 -0.43 -4.86 115.64 111.49 3iw4 s THR 495 Ca -0.05 -2.06 0.06 0.00 -1.18 0.00 0.00 61.69 58.46 3iw4 s THR 495 Cb -0.03 -1.94 -0.03 0.00 1.34 0.00 0.00 72.50 71.84 3iw4 s THR 495 CO 0.05 -0.67 0.38 0.54 -0.54 0.00 0.00 174.62 174.38 3iw4 n ARG 496 N -0.24 3.61 -1.70 3.99 1.74 -1.26 -0.73 116.66 122.07 3iw4 n ARG 496 Ca -0.09 -0.25 -0.42 0.00 -0.77 0.00 0.00 57.85 56.32 3iw4 n ARG 496 Cb 0.61 -0.88 -0.03 0.00 -1.02 0.00 0.00 32.46 31.14 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 -1.30 4.14 0.15 5.56 2.12 -1.26 -4.82 118.70 123.29 3iw4 s GLU 497 Ca 0.04 2.60 -0.30 0.00 0.36 0.00 0.00 54.97 57.67 3iw4 s GLU 497 Cb 0.05 -3.90 -0.07 0.00 0.26 0.00 0.00 34.13 30.47 3iw4 s GLU 497 CO 0.20 -0.90 1.05 0.12 -0.54 0.00 0.00 175.26 175.20 3iw4 s PHE 498 N 3.66 3.67 0.17 5.30 5.36 -1.26 -5.04 117.98 129.83 3iw4 s PHE 498 Ca 0.85 1.66 -0.24 0.00 -0.96 0.00 0.00 56.93 58.24 3iw4 s PHE 498 Cb -0.44 -3.20 0.07 0.00 -0.34 0.00 0.00 43.02 39.11 3iw4 s PHE 498 CO 0.39 -0.34 1.02 0.00 -1.46 0.00 0.00 175.22 174.83 3iw4 n GLY 500 N -0.60 1.92 3.67 0.00 0.00 -1.26 -4.94 105.19 103.98 3iw4 n GLY 500 Ca -0.04 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 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 -2.21 4.58 0.29 2.61 2.01 -1.26 -4.96 115.64 116.71 3iw4 s THR 501 Ca 0.00 1.90 0.03 0.00 0.31 0.00 0.00 61.69 63.92 3iw4 s THR 501 Cb 0.00 -4.22 0.33 0.00 0.01 0.00 0.00 72.50 68.62 3iw4 s THR 501 CO 0.00 -0.12 1.63 -0.65 -0.69 0.00 0.00 174.62 174.78 3iw4 h PRO 502 N 7.54 0.14 -0.08 4.92 0.11 -1.97 0.38 132.00 143.05 3iw4 h PRO 502 Ca -0.24 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.88 3iw4 h PRO 502 Cb 1.09 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.17 3iw4 h PRO 502 CO 0.95 0.10 0.22 -0.44 -0.21 0.00 0.00 178.00 178.62 3iw4 h ASP 503 N 0.15 0.00 -0.08 -2.05 5.19 -1.98 -2.69 116.42 114.97 3iw4 h ASP 503 Ca 0.57 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.98 3iw4 h ASP 503 Cb 1.18 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.69 3iw4 h ASP 503 CO -0.72 0.00 0.00 -1.22 -3.12 0.00 0.00 179.24 174.18 3iw4 n TYR 504 N -3.23 0.08 -2.88 4.55 4.02 0.13 -4.88 117.16 114.96 3iw4 n TYR 504 Ca -0.01 -0.06 -0.42 0.00 -0.01 0.00 0.00 57.90 57.41 3iw4 n TYR 504 Cb 0.30 -0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.58 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 -1.32 4.84 0.92 -0.72 1.01 -1.02 -3.71 121.20 121.21 3iw4 s ILE 505 Ca 0.21 1.62 -0.12 0.00 0.00 0.00 0.00 60.65 62.36 3iw4 s ILE 505 Cb 0.14 -4.14 0.06 0.00 0.01 0.00 0.00 42.46 38.54 3iw4 s ILE 505 CO 0.21 -0.05 0.63 0.00 0.00 0.00 0.00 174.94 175.73 3iw4 n ALA 506 N 5.77 -1.99 -0.18 9.38 0.00 -1.26 -4.89 120.51 127.33 3iw4 n ALA 506 Ca 0.06 -0.56 -0.02 0.00 0.00 0.00 0.00 53.44 52.92 3iw4 n ALA 506 Cb 0.48 -1.92 0.08 0.00 0.00 0.00 0.00 19.45 18.09 3iw4 n ALA 506 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3iw4 h PRO 507 N -1.54 0.37 -0.26 0.00 0.11 -1.87 -2.99 132.00 125.81 3iw4 h PRO 507 Ca -0.44 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.60 3iw4 h PRO 507 Cb 1.28 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 3iw4 h PRO 507 CO 0.37 0.24 -0.08 1.05 -0.21 0.00 0.00 178.00 179.38 3iw4 h GLU 508 N 0.38 0.42 -0.60 1.05 9.09 -1.92 -1.17 114.58 121.83 3iw4 h GLU 508 Ca 0.27 -0.10 -0.08 0.00 0.05 0.00 0.00 59.36 59.50 3iw4 h GLU 508 Cb 0.31 -0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 27.34 3iw4 h GLU 508 CO -0.28 0.51 0.06 0.82 0.05 0.00 0.00 179.01 180.17 3iw4 h ILE 509 N 0.40 1.26 -0.37 -1.06 2.04 -1.80 -1.09 117.51 116.88 3iw4 h ILE 509 Ca 0.08 -1.06 -0.09 0.00 1.00 0.00 0.00 64.86 64.79 3iw4 h ILE 509 Cb 0.39 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3iw4 h ILE 509 CO 0.02 0.39 -0.14 0.40 0.00 0.00 0.00 178.15 178.82 3iw4 h ILE 510 N 0.92 1.25 0.00 -0.67 2.04 -1.29 -1.38 117.51 118.37 3iw4 h ILE 510 Ca 0.18 -1.15 0.00 0.00 1.00 0.00 0.00 64.86 64.89 3iw4 h ILE 510 Cb 0.48 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3iw4 h ILE 510 CO 0.02 0.38 0.00 0.00 0.00 0.00 0.00 178.15 178.55 3iw4 n ALA 511 N -2.49 2.39 -3.76 1.87 0.00 -0.49 -4.85 120.51 113.18 3iw4 n ALA 511 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.18 3iw4 n ALA 511 Cb 0.36 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 3iw4 n ALA 511 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3iw4 n TYR 512 N -0.31 -1.49 -2.40 0.00 4.01 -0.52 -4.91 117.16 111.54 3iw4 n TYR 512 Ca 0.00 0.43 -0.33 0.00 -0.16 0.00 0.00 57.90 57.84 3iw4 n TYR 512 Cb 0.08 -1.59 -0.02 0.00 -0.31 0.00 0.00 39.34 37.50 3iw4 n TYR 512 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 3iw4 s GLN 513 N -6.39 3.68 0.10 -0.72 -1.52 -0.43 -4.95 119.66 109.44 3iw4 s GLN 513 Ca 0.52 1.28 -0.31 0.00 -1.95 0.00 0.00 55.36 54.90 3iw4 s GLN 513 Cb -0.30 -2.08 -0.08 0.00 -0.22 0.00 0.00 33.01 30.33 3iw4 s GLN 513 CO 0.64 -0.52 1.40 -2.14 -0.25 0.00 0.00 175.29 174.42 3iw4 s PRO 514 N -3.53 4.31 0.26 2.91 0.02 -1.26 -4.55 135.00 133.16 3iw4 s PRO 514 Ca 0.65 2.07 0.02 0.00 0.02 0.00 0.00 61.00 63.76 3iw4 s PRO 514 Cb -0.16 -3.31 -0.05 0.00 0.02 0.00 0.00 34.50 31.00 3iw4 s PRO 514 CO 0.25 -0.47 0.08 1.52 -0.33 0.00 0.00 177.00 178.06 3iw4 s TYR 515 N 1.35 1.59 0.00 6.54 -0.85 0.09 -4.84 117.35 121.22 3iw4 s TYR 515 Ca 0.65 -1.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.07 3iw4 s TYR 515 Cb -0.36 -0.95 0.00 0.00 0.38 0.00 0.00 41.96 41.03 3iw4 s TYR 515 CO 0.30 -0.26 0.00 0.41 -1.52 0.00 0.00 175.55 174.47 3iw4 n GLY 516 N -0.49 4.40 0.24 5.49 0.00 -1.26 -1.32 105.19 112.25 3iw4 n GLY 516 Ca -0.01 -0.58 0.16 0.00 0.00 0.00 0.00 46.02 45.59 3iw4 n GLY 516 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3iw4 h LYS 517 N 0.00 0.00 -0.97 1.61 2.10 -1.92 -3.12 116.57 114.27 3iw4 h LYS 517 Ca 0.00 0.00 0.22 0.00 -2.00 0.00 0.00 60.65 58.87 3iw4 h LYS 517 Cb 0.00 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 31.21 3iw4 h LYS 517 CO 0.00 0.00 0.55 0.66 -2.00 0.00 0.00 179.45 178.66 3iw4 h SER 518 N 0.00 0.62 0.15 7.07 4.64 -1.94 -0.38 113.55 123.70 3iw4 h SER 518 Ca 0.00 0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3iw4 h SER 518 Cb 0.45 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 3iw4 h SER 518 CO 0.00 0.14 0.00 -0.37 -0.87 0.00 0.00 176.83 175.73 3iw4 h VAL 519 N 0.60 0.00 -0.01 0.95 -1.51 -1.96 0.16 116.25 114.48 3iw4 h VAL 519 Ca 0.60 -0.06 -0.14 0.00 -1.23 0.00 0.00 66.70 65.86 3iw4 h VAL 519 Cb 1.06 0.80 -0.02 0.00 -2.13 0.00 0.00 31.29 31.00 3iw4 h VAL 519 CO -0.45 0.00 -0.67 0.44 -1.23 0.00 0.00 177.57 175.66 3iw4 h ASP 520 N 0.00 0.04 1.26 4.19 3.32 -1.32 -2.97 116.42 120.95 3iw4 h ASP 520 Ca 0.00 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3iw4 h ASP 520 Cb 0.07 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3iw4 h ASP 520 CO 0.00 0.70 -0.45 -0.50 -1.72 0.00 0.00 179.24 177.27 3iw4 h TRP 521 N 0.02 0.00 0.14 4.55 4.06 -0.78 -0.11 115.95 123.83 3iw4 h TRP 521 Ca -0.01 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.93 3iw4 h TRP 521 Cb 1.19 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.35 3iw4 h TRP 521 CO 0.00 0.00 -0.07 2.35 -3.56 0.00 0.00 178.44 177.17 3iw4 h TRP 522 N 0.00 -0.17 -0.82 0.49 2.91 -1.51 -2.27 115.95 114.58 3iw4 h TRP 522 Ca 0.00 -0.00 0.24 0.00 1.13 0.00 0.00 58.89 60.25 3iw4 h TRP 522 Cb 0.85 0.06 -0.15 0.00 -0.51 0.00 0.00 29.16 29.41 3iw4 h TRP 522 CO 0.00 -0.11 0.05 0.00 -1.03 0.00 0.00 178.44 177.36 3iw4 n ALA 523 N -2.30 0.45 -0.28 2.65 0.00 -1.12 0.13 120.51 120.04 3iw4 n ALA 523 Ca -0.02 0.88 0.01 0.00 0.00 0.00 0.00 53.44 54.30 3iw4 n ALA 523 Cb 0.07 -0.66 0.14 0.00 0.00 0.00 0.00 19.45 19.00 3iw4 n ALA 523 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3iw4 h TYR 524 N 0.00 0.84 -0.26 0.00 3.20 -1.01 0.26 116.97 119.99 3iw4 h TYR 524 Ca 0.51 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 62.35 3iw4 h TYR 524 Cb 1.09 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.09 3iw4 h TYR 524 CO -0.39 0.39 -0.07 0.78 -1.64 0.00 0.00 178.16 177.23 3iw4 h GLY 525 N 0.81 0.56 0.53 1.82 0.00 0.17 0.22 103.07 107.17 3iw4 h GLY 525 Ca 0.36 -0.47 0.10 0.00 0.00 0.00 0.00 47.33 47.32 3iw4 h GLY 525 CO -0.20 0.43 0.56 -2.08 0.00 0.00 0.00 176.54 175.24 3iw4 h VAL 526 N 0.26 0.93 0.40 4.60 2.07 0.28 0.51 116.25 125.31 3iw4 h VAL 526 Ca 0.07 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 3iw4 h VAL 526 Cb 0.55 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3iw4 h VAL 526 CO 0.03 0.17 -0.19 0.25 0.02 0.00 0.00 177.57 177.84 3iw4 h LEU 527 N 0.92 -0.46 -0.79 2.57 6.46 -0.36 -0.28 115.31 123.37 3iw4 h LEU 527 Ca 0.44 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 58.30 3iw4 h LEU 527 Cb 0.39 0.12 -0.10 0.00 -0.73 0.00 0.00 40.66 40.34 3iw4 h LEU 527 CO -0.25 -0.14 -0.44 0.18 -0.62 0.00 0.00 178.44 177.18 3iw4 n LEU 528 N -4.52 -0.79 -0.14 2.25 4.32 0.75 -1.03 117.00 117.84 3iw4 n LEU 528 Ca -0.07 1.40 -0.03 0.00 -0.02 0.00 0.00 56.01 57.29 3iw4 n LEU 528 Cb 0.21 -0.20 0.04 0.00 -1.62 0.00 0.00 43.42 41.85 3iw4 n LEU 528 CO 0.16 -1.16 0.82 0.22 -1.22 0.00 0.00 177.39 176.22 3iw4 h TYR 529 N 0.00 -0.11 -0.34 -1.77 5.03 0.14 0.14 116.97 120.06 3iw4 h TYR 529 Ca 0.15 0.04 0.07 0.00 2.58 0.00 0.00 58.73 61.56 3iw4 h TYR 529 Cb 0.35 0.12 -0.09 0.00 1.55 0.00 0.00 36.73 38.66 3iw4 h TYR 529 CO -0.79 -0.13 -0.35 0.93 -1.32 0.00 0.00 178.16 176.50 3iw4 h GLU 530 N 0.07 -0.29 -0.88 1.82 5.08 0.68 0.22 114.58 121.28 3iw4 h GLU 530 Ca 0.22 0.02 0.16 0.00 -1.00 0.00 0.00 59.36 58.76 3iw4 h GLU 530 Cb 0.33 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 29.55 3iw4 h GLU 530 CO -0.41 -0.19 0.46 0.52 -1.00 0.00 0.00 179.01 178.39 3iw4 h MET 531 N -0.30 0.60 0.13 2.33 2.86 0.24 0.79 114.93 121.59 3iw4 h MET 531 Ca 0.15 -0.04 -0.30 0.00 -2.06 0.00 0.00 59.70 57.45 3iw4 h MET 531 Cb 0.55 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.08 3iw4 h MET 531 CO -0.51 0.40 -1.45 -0.07 1.06 0.00 0.00 176.91 176.34 3iw4 h LEU 532 N 0.62 0.43 0.00 1.22 3.38 -0.18 0.03 115.31 120.81 3iw4 h LEU 532 Ca 0.49 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3iw4 h LEU 532 Cb 0.74 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.35 3iw4 h LEU 532 CO -0.39 1.44 -1.55 0.00 0.09 0.00 0.00 178.44 178.04 3iw4 n ALA 533 N -2.63 2.57 -0.94 1.53 0.00 0.67 -4.64 120.51 117.08 3iw4 n ALA 533 Ca -0.14 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3iw4 n ALA 533 Cb 1.04 -0.46 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 1.71 0.65 3.41 0.00 0.00 0.27 -4.90 105.19 106.33 3iw4 n GLY 534 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.28 1.50 0.57 1.61 -1.52 -1.26 -4.96 119.66 115.32 3iw4 s GLN 535 Ca 0.00 -1.74 -0.17 0.00 -1.95 0.00 0.00 55.36 51.50 3iw4 s GLN 535 Cb 0.00 -1.15 -0.05 0.00 -0.22 0.00 0.00 33.01 31.60 3iw4 s GLN 535 CO 0.00 0.07 1.05 -1.25 -0.25 0.00 0.00 175.29 174.91 3iw4 s PRO 536 N -3.71 3.45 0.23 2.91 0.04 -1.26 -3.81 135.00 132.85 3iw4 s PRO 536 Ca 0.28 1.23 0.09 0.00 0.04 0.00 0.00 61.00 62.64 3iw4 s PRO 536 Cb 0.03 -2.05 0.18 0.00 0.04 0.00 0.00 34.50 32.70 3iw4 s PRO 536 CO 0.11 -0.70 1.51 -1.00 0.04 0.00 0.00 177.00 176.95 3iw4 h PRO 537 N 0.71 0.02 -5.66 0.56 0.13 -1.91 -3.46 132.00 122.38 3iw4 h PRO 537 Ca -0.47 -0.01 -0.59 0.00 -0.87 0.00 0.00 66.00 64.05 3iw4 h PRO 537 Cb 1.22 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.22 3iw4 h PRO 537 CO 0.58 0.74 -0.63 -0.06 -0.23 0.00 0.00 178.00 178.40 3iw4 s PHE 538 N -3.36 2.35 0.11 1.56 0.08 -1.26 -4.70 117.98 112.77 3iw4 s PHE 538 Ca -0.01 -0.66 -0.14 0.00 0.12 0.00 0.00 56.93 56.23 3iw4 s PHE 538 Cb 0.12 -1.53 0.03 0.00 -0.57 0.00 0.00 43.02 41.06 3iw4 s PHE 538 CO 0.78 0.41 0.35 0.16 -0.10 0.00 0.00 175.22 176.82 3iw4 s ASP 539 N -3.62 -0.15 -0.14 1.36 1.47 -1.26 -5.08 116.67 109.25 3iw4 s ASP 539 Ca 0.34 -0.39 -0.30 0.00 1.18 0.00 0.00 52.55 53.37 3iw4 s ASP 539 Cb 0.07 0.44 0.13 0.00 -0.34 0.00 0.00 42.92 43.22 3iw4 s ASP 539 CO 0.17 -0.82 1.01 -0.83 0.68 0.00 0.00 175.17 175.38 3iw4 s GLY 540 N -2.80 -0.28 0.31 2.12 0.00 -1.26 -4.25 107.32 101.16 3iw4 s GLY 540 Ca 0.03 1.87 0.06 0.00 0.00 0.00 0.00 44.72 46.69 3iw4 s GLY 540 CO -0.12 0.88 1.75 0.83 0.00 0.00 0.00 173.10 176.45 3iw4 h GLU 541 N 2.40 0.30 0.00 2.90 4.39 -1.99 -3.44 114.58 119.14 3iw4 h GLU 541 Ca -0.18 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.41 3iw4 h GLU 541 Cb 1.18 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3iw4 h GLU 541 CO 0.30 0.58 0.00 -0.40 -1.16 0.00 0.00 179.01 178.33 3iw4 n ASP 542 N -4.11 0.00 0.05 1.42 5.68 -1.26 -5.05 116.55 113.28 3iw4 n ASP 542 Ca -0.01 -0.46 -0.09 0.00 -0.50 0.00 0.00 54.79 53.73 3iw4 n ASP 542 Cb 0.41 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.44 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 0.39 -0.22 0.11 4.81 -1.99 -1.34 114.58 116.33 3iw4 h GLU 543 Ca 0.00 -0.30 -0.10 0.00 -0.13 0.00 0.00 59.36 58.82 3iw4 h GLU 543 Cb 0.00 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3iw4 h GLU 543 CO 0.00 0.93 -0.30 -0.44 -0.73 0.00 0.00 179.01 178.48 3iw4 h ASP 544 N 0.28 0.46 0.55 1.04 3.32 -1.98 -1.65 116.42 118.43 3iw4 h ASP 544 Ca -0.02 -0.17 -0.23 0.00 0.02 0.00 0.00 57.03 56.63 3iw4 h ASP 544 Cb 1.24 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 3iw4 h ASP 544 CO 0.12 0.74 -1.03 -0.08 -1.72 0.00 0.00 179.24 177.26 3iw4 h GLU 545 N 0.39 0.28 -0.42 3.56 4.81 -1.88 -2.09 114.58 119.22 3iw4 h GLU 545 Ca 0.05 -0.36 -0.02 0.00 -0.13 0.00 0.00 59.36 58.90 3iw4 h GLU 545 Cb 0.72 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 3iw4 h GLU 545 CO 0.06 1.10 0.19 1.25 -0.73 0.00 0.00 179.01 180.87 3iw4 h LEU 546 N 0.13 0.57 -0.56 1.64 5.85 -1.10 -1.90 115.31 119.93 3iw4 h LEU 546 Ca -0.08 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 3iw4 h LEU 546 Cb 1.70 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.56 3iw4 h LEU 546 CO 0.17 0.55 0.35 -0.26 -0.34 0.00 0.00 178.44 178.91 3iw4 h PHE 547 N 0.54 0.73 -0.79 1.25 0.04 -1.22 0.55 116.94 118.04 3iw4 h PHE 547 Ca 0.14 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.89 3iw4 h PHE 547 Cb 0.15 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.02 3iw4 h PHE 547 CO -0.01 0.49 0.37 1.96 -0.60 0.00 0.00 178.31 180.52 3iw4 h GLN 548 N 0.76 1.14 -0.34 1.51 4.20 -1.21 0.26 115.11 121.41 3iw4 h GLN 548 Ca 0.20 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 3iw4 h GLN 548 Cb -0.04 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 3iw4 h GLN 548 CO -0.04 0.88 -0.14 1.03 -0.67 0.00 0.00 178.83 179.89 3iw4 h SER 549 N 1.13 0.60 -0.24 1.46 0.87 -0.60 -1.61 113.55 115.15 3iw4 h SER 549 Ca 0.27 -0.17 -0.15 0.00 -1.23 0.00 0.00 61.79 60.51 3iw4 h SER 549 Cb 0.12 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.92 3iw4 h SER 549 CO -0.03 0.77 -0.43 0.40 -0.53 0.00 0.00 176.83 177.00 3iw4 h ILE 550 N 0.56 1.31 0.00 2.23 2.04 -0.03 0.37 117.51 123.98 3iw4 h ILE 550 Ca 0.10 -1.64 -0.06 0.00 1.00 0.00 0.00 64.86 64.26 3iw4 h ILE 550 Cb 0.57 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.39 3iw4 h ILE 550 CO 0.04 0.52 -0.28 0.24 0.00 0.00 0.00 178.15 178.66 3iw4 h MET 551 N 0.44 0.00 0.00 2.37 2.86 -0.37 -3.39 114.93 116.84 3iw4 h MET 551 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 3iw4 h MET 551 Cb 1.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.69 3iw4 h MET 551 CO 0.10 0.28 -0.82 0.39 1.06 0.00 0.00 176.91 177.93 3iw4 n GLU 552 N -3.77 3.03 -2.79 1.72 -0.58 -0.62 -5.09 120.64 112.55 3iw4 n GLU 552 Ca -0.01 0.00 -0.29 0.00 -0.42 0.00 0.00 57.16 56.44 3iw4 n GLU 552 Cb 0.38 -0.91 -0.02 0.00 -0.57 0.00 0.00 31.44 30.32 3iw4 n GLU 552 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 3iw4 s HIS 553 N -1.80 3.51 -0.11 -0.32 2.46 0.13 -5.04 115.29 114.12 3iw4 s HIS 553 Ca 0.00 0.91 -0.16 0.00 0.47 0.00 0.00 55.06 56.28 3iw4 s HIS 553 Cb 0.00 -2.35 -0.05 0.00 -0.13 0.00 0.00 32.58 30.05 3iw4 s HIS 553 CO 0.00 -0.16 0.39 -0.80 -2.47 0.00 0.00 174.74 171.69 3iw4 s ASN 554 N -3.58 6.60 -0.14 9.88 -0.87 -1.26 -4.91 114.94 120.65 3iw4 s ASN 554 Ca 0.49 0.71 -0.29 0.00 -1.57 0.00 0.00 52.86 52.20 3iw4 s ASN 554 Cb -0.10 -2.23 -0.04 0.00 -0.02 0.00 0.00 41.25 38.85 3iw4 s ASN 554 CO 0.37 0.10 1.71 -0.69 -2.57 0.00 0.00 177.10 176.03 3iw4 s VAL 555 N 0.24 3.54 0.02 1.60 1.01 -1.26 -4.96 120.40 120.59 3iw4 s VAL 555 Ca 0.22 0.62 -0.22 0.00 0.00 0.00 0.00 61.98 62.60 3iw4 s VAL 555 Cb -0.14 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.68 3iw4 s VAL 555 CO 0.08 -0.16 0.66 -0.94 0.00 0.00 0.00 175.10 174.74 3iw4 s SER 556 N 4.31 7.07 -0.24 3.32 1.04 -1.26 -5.04 113.70 122.89 3iw4 s SER 556 Ca 0.76 1.27 -0.02 0.00 0.48 0.00 0.00 55.95 58.45 3iw4 s SER 556 Cb -0.30 -2.40 0.02 0.00 0.10 0.00 0.00 66.02 63.44 3iw4 s SER 556 CO 0.31 0.08 -0.07 -0.31 0.98 0.00 0.00 173.24 174.23 3iw4 s TYR 557 N -0.18 3.02 0.26 5.02 1.51 -1.26 -5.08 117.35 120.64 3iw4 s TYR 557 Ca 0.34 -1.45 -0.31 0.00 -1.01 0.00 0.00 57.07 54.64 3iw4 s TYR 557 Cb -0.19 -2.06 -0.13 0.00 -0.11 0.00 0.00 41.96 39.47 3iw4 s TYR 557 CO 0.19 -0.70 1.36 -0.35 -1.11 0.00 0.00 175.55 174.94 3iw4 n PRO 558 N 4.69 1.98 0.06 -1.71 -0.04 -1.26 -4.78 135.00 133.94 3iw4 n PRO 558 Ca -0.17 0.70 0.19 0.00 -0.04 0.00 0.00 63.50 64.18 3iw4 n PRO 558 Cb 0.48 -2.33 0.55 0.00 -0.04 0.00 0.00 33.50 32.17 3iw4 n PRO 558 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3iw4 h LYS 559 N 3.78 0.00 0.00 0.54 3.64 -2.04 0.70 116.57 123.19 3iw4 h LYS 559 Ca -0.45 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 3iw4 h LYS 559 Cb 1.28 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3iw4 h LYS 559 CO 0.72 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 178.56 3iw4 h SER 560 N 0.00 0.00 -3.13 4.20 4.64 -2.03 -3.45 113.55 113.77 3iw4 h SER 560 Ca 0.23 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 61.03 3iw4 h SER 560 Cb 1.75 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 63.92 3iw4 h SER 560 CO -0.00 0.00 0.91 -0.76 -0.87 0.00 0.00 176.83 176.10 3iw4 s LEU 561 N -5.33 4.36 0.65 5.97 1.02 0.23 -4.97 118.68 120.61 3iw4 s LEU 561 Ca 0.07 2.88 -0.18 0.00 0.02 0.00 0.00 54.13 56.92 3iw4 s LEU 561 Cb 0.09 -3.62 -0.01 0.00 0.02 0.00 0.00 46.19 42.66 3iw4 s LEU 561 CO 0.58 -0.90 1.28 -0.24 0.02 0.00 0.00 176.35 177.08 3iw4 n SER 562 N 2.76 2.01 0.16 2.29 2.88 -1.26 -4.80 113.62 117.66 3iw4 n SER 562 Ca 0.10 0.83 0.01 0.00 -1.33 0.00 0.00 58.87 58.49 3iw4 n SER 562 Cb 0.37 -1.55 0.27 0.00 -0.75 0.00 0.00 64.21 62.55 3iw4 n SER 562 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 3iw4 h LYS 563 N 0.53 0.00 -0.12 -1.46 2.10 -1.97 -0.91 116.57 114.73 3iw4 h LYS 563 Ca -0.51 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.04 3iw4 h LYS 563 Cb 1.34 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.66 3iw4 h LYS 563 CO 0.53 0.49 -0.37 0.93 -2.00 0.00 0.00 179.45 179.03 3iw4 h GLU 564 N 0.00 0.25 0.18 0.07 3.07 -1.93 -1.69 114.58 114.53 3iw4 h GLU 564 Ca -0.00 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 58.74 3iw4 h GLU 564 Cb 0.91 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.82 3iw4 h GLU 564 CO 0.06 0.59 -0.09 0.00 -1.40 0.00 0.00 179.01 178.18 3iw4 h ALA 565 N 1.40 -0.24 -1.01 3.43 0.00 -1.58 -2.01 119.26 119.25 3iw4 h ALA 565 Ca 0.02 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.83 3iw4 h ALA 565 Cb 0.76 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 3iw4 h ALA 565 CO 0.06 -0.47 0.65 0.28 0.00 0.00 0.00 179.25 179.77 3iw4 h VAL 566 N -0.58 1.06 0.22 0.00 2.07 -1.20 -1.24 116.25 116.58 3iw4 h VAL 566 Ca -0.02 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.11 3iw4 h VAL 566 Cb 0.43 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 3iw4 h VAL 566 CO 0.04 0.21 -0.24 -1.28 0.02 0.00 0.00 177.57 176.32 3iw4 h SER 567 N 1.15 -0.64 -0.88 0.57 0.87 -1.23 -1.54 113.55 111.84 3iw4 h SER 567 Ca 0.45 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 61.05 3iw4 h SER 567 Cb 0.23 0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 62.37 3iw4 h SER 567 CO -0.19 -0.35 0.47 -0.29 -0.53 0.00 0.00 176.83 175.94 3iw4 h ILE 568 N -0.50 1.26 -0.63 2.23 2.10 -0.79 -1.32 117.51 119.86 3iw4 h ILE 568 Ca 0.00 -0.67 -0.04 0.00 1.08 0.00 0.00 64.86 65.24 3iw4 h ILE 568 Cb 0.47 0.09 -0.03 0.00 -1.09 0.00 0.00 36.82 36.26 3iw4 h ILE 568 CO -0.07 0.30 0.24 0.00 -1.08 0.00 0.00 178.15 177.54 3iw4 h LYS 570 N 0.90 0.35 -0.20 0.00 1.57 -0.80 0.18 116.57 118.57 3iw4 h LYS 570 Ca 0.21 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3iw4 h LYS 570 Cb 0.19 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 3iw4 h LYS 570 CO -0.02 0.86 0.06 0.78 -0.57 0.00 0.00 179.45 180.56 3iw4 h GLY 571 N 1.32 0.24 1.88 3.86 0.00 -0.06 -2.33 103.07 107.98 3iw4 h GLY 571 Ca -0.01 -0.04 -0.19 0.00 0.00 0.00 0.00 47.33 47.10 3iw4 h GLY 571 CO 0.10 0.02 -0.85 1.41 0.00 0.00 0.00 176.54 177.22 3iw4 h LEU 572 N 0.15 0.14 -3.77 3.11 3.38 -0.73 0.12 115.31 117.72 3iw4 h LEU 572 Ca 0.09 -0.11 -0.48 0.00 0.09 0.00 0.00 57.88 57.46 3iw4 h LEU 572 Cb 0.06 -0.04 -0.27 0.00 0.09 0.00 0.00 40.66 40.50 3iw4 h LEU 572 CO -0.09 0.92 0.22 0.23 0.09 0.00 0.00 178.44 179.81 3iw4 n MET 573 N -3.61 2.55 -2.46 1.13 2.81 0.61 -3.92 117.12 114.23 3iw4 n MET 573 Ca -0.02 -3.39 -0.43 0.00 -1.81 0.00 0.00 57.70 52.05 3iw4 n MET 573 Cb 0.80 -2.13 -0.02 0.00 -0.71 0.00 0.00 33.22 31.15 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 -4.05 4.32 0.46 2.03 2.01 -0.89 -4.91 115.64 114.60 3iw4 s THR 574 Ca 0.55 1.61 0.23 0.00 0.31 0.00 0.00 61.69 64.39 3iw4 s THR 574 Cb 0.46 -4.04 0.26 0.00 0.01 0.00 0.00 72.50 69.19 3iw4 s THR 574 CO 0.02 -0.09 2.08 0.11 -0.69 0.00 0.00 174.62 176.05 3iw4 h LYS 575 N 7.88 0.00 -5.29 4.92 1.57 -1.91 -3.39 116.57 120.35 3iw4 h LYS 575 Ca -0.28 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 57.84 3iw4 h LYS 575 Cb 1.12 0.00 -0.16 0.00 0.08 0.00 0.00 32.23 33.27 3iw4 h LYS 575 CO 0.94 0.12 0.15 -1.01 -0.57 0.00 0.00 179.45 179.08 3iw4 s HIS 576 N -4.45 3.02 0.32 -1.35 3.76 -1.26 -4.62 115.29 110.72 3iw4 s HIS 576 Ca -0.04 -0.25 0.10 0.00 -0.15 0.00 0.00 55.06 54.73 3iw4 s HIS 576 Cb 0.14 -3.52 0.96 0.00 1.11 0.00 0.00 32.58 31.28 3iw4 s HIS 576 CO 0.62 -1.00 1.66 -1.35 -0.85 0.00 0.00 174.74 173.81 3iw4 h PRO 577 N 8.99 0.27 -0.09 8.40 0.11 -1.98 -0.32 132.00 147.37 3iw4 h PRO 577 Ca -0.26 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.80 3iw4 h PRO 577 Cb 1.09 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3iw4 h PRO 577 CO 0.95 0.18 -0.10 0.00 -0.21 0.00 0.00 178.00 178.82 3iw4 h ALA 578 N 1.83 1.67 -0.49 -0.75 0.00 -1.92 0.32 119.26 119.91 3iw4 h ALA 578 Ca 0.68 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.44 3iw4 h ALA 578 Cb 1.49 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3iw4 h ALA 578 CO -0.63 0.25 0.00 1.63 0.00 0.00 0.00 179.25 180.50 3iw4 n LYS 579 N -4.35 2.29 -2.87 0.00 5.02 -0.14 -4.57 118.16 113.54 3iw4 n LYS 579 Ca -0.01 -1.98 -0.37 0.00 -2.02 0.00 0.00 58.31 53.92 3iw4 n LYS 579 Cb 0.22 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 33.72 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 -1.35 4.51 0.19 1.97 3.52 0.10 -4.94 118.95 122.95 3iw4 s ARG 580 Ca 0.38 1.21 -0.31 0.00 -0.13 0.00 0.00 55.73 56.88 3iw4 s ARG 580 Cb 0.20 -2.87 -0.09 0.00 -1.56 0.00 0.00 34.95 30.63 3iw4 s ARG 580 CO 0.27 0.34 1.42 -1.17 -0.81 0.00 0.00 175.30 175.34 3iw4 s LEU 581 N -1.94 4.39 0.00 -0.88 2.96 0.41 -1.69 118.68 121.94 3iw4 s LEU 581 Ca 0.47 2.51 0.00 0.00 -0.22 0.00 0.00 54.13 56.89 3iw4 s LEU 581 Cb -0.19 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 42.90 3iw4 s LEU 581 CO 0.24 -0.67 0.00 0.61 -1.32 0.00 0.00 176.35 175.21 3iw4 n GLY 582 N 2.82 3.02 0.43 7.98 0.00 -1.26 -4.62 105.19 113.57 3iw4 n GLY 582 Ca 0.09 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.18 3iw4 n GLY 582 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iw4 s GLY 584 N -1.62 1.60 0.49 0.00 0.00 -1.24 -4.79 107.32 101.76 3iw4 s GLY 584 Ca 0.14 0.09 0.33 0.00 0.00 0.00 0.00 44.72 45.28 3iw4 s GLY 584 CO 0.31 0.67 2.01 -0.56 0.00 0.00 0.00 173.10 175.53 3iw4 h PRO 585 N -2.17 0.00 -0.89 2.90 0.13 -1.94 0.53 132.00 130.57 3iw4 h PRO 585 Ca -0.53 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.12 3iw4 h PRO 585 Cb 1.30 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 32.02 3iw4 h PRO 585 CO 0.49 0.00 -0.91 0.39 -0.23 0.00 0.00 178.00 177.74 3iw4 n GLU 586 N -2.66 2.89 -0.23 0.86 1.02 -1.26 -4.93 120.64 116.33 3iw4 n GLU 586 Ca -0.02 -4.00 0.03 0.00 -0.02 0.00 0.00 57.16 53.15 3iw4 n GLU 586 Cb 0.06 -2.01 0.14 0.00 -0.02 0.00 0.00 31.44 29.61 3iw4 n GLU 586 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3iw4 h GLY 587 N 2.46 0.81 1.32 0.62 0.00 -1.06 -0.45 103.07 106.77 3iw4 h GLY 587 Ca 0.19 0.05 0.04 0.00 0.00 0.00 0.00 47.33 47.61 3iw4 h GLY 587 CO 0.63 -0.22 0.37 -2.09 0.00 0.00 0.00 176.54 175.23 3iw4 h GLU 588 N 0.16 0.62 -0.16 4.80 4.81 -1.86 -1.58 114.58 121.36 3iw4 h GLU 588 Ca 0.37 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.45 3iw4 h GLU 588 Cb 0.63 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3iw4 h GLU 588 CO -0.56 0.41 -0.35 -0.09 -0.73 0.00 0.00 179.01 177.69 3iw4 h ARG 589 N 0.64 0.52 -0.90 1.92 2.43 -1.53 -1.99 114.38 115.47 3iw4 h ARG 589 Ca 0.23 -0.35 0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3iw4 h ARG 589 Cb 0.12 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 3iw4 h ARG 589 CO -0.06 0.96 0.57 -0.44 -1.51 0.00 0.00 179.97 179.48 3iw4 h ASP 590 N 0.16 1.06 -0.26 -3.80 5.19 -0.34 0.86 116.42 119.28 3iw4 h ASP 590 Ca 0.00 -0.05 -0.09 0.00 -0.62 0.00 0.00 57.03 56.27 3iw4 h ASP 590 Cb 0.95 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.19 3iw4 h ASP 590 CO 0.08 0.79 -0.20 0.58 -3.12 0.00 0.00 179.24 177.37 3iw4 h VAL 591 N 1.23 1.31 -0.28 -1.35 2.07 -1.44 -1.77 116.25 116.01 3iw4 h VAL 591 Ca 0.33 -1.33 -0.09 0.00 0.82 0.00 0.00 66.70 66.42 3iw4 h VAL 591 Cb -0.10 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3iw4 h VAL 591 CO -0.07 0.42 -0.20 -0.09 0.02 0.00 0.00 177.57 177.65 3iw4 h ARG 592 N 0.31 0.52 -0.58 1.57 2.43 -0.53 -2.15 114.38 115.95 3iw4 h ARG 592 Ca 0.05 -0.18 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3iw4 h ARG 592 Cb 0.74 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 3iw4 h ARG 592 CO 0.05 0.70 0.00 0.39 -1.51 0.00 0.00 179.97 179.60 3iw4 n GLU 593 N -4.15 3.45 -1.83 0.20 1.02 0.21 -4.85 120.64 114.70 3iw4 n GLU 593 Ca 0.00 -2.76 -0.36 0.00 -0.02 0.00 0.00 57.16 54.03 3iw4 n GLU 593 Cb 0.38 -1.77 0.05 0.00 -0.02 0.00 0.00 31.44 30.08 3iw4 n GLU 593 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3iw4 s HIS 594 N -1.75 2.25 0.63 -0.32 2.46 -0.67 -4.88 115.29 113.01 3iw4 s HIS 594 Ca 0.46 1.52 0.36 0.00 0.47 0.00 0.00 55.06 57.88 3iw4 s HIS 594 Cb 0.30 -3.53 2.04 0.00 -0.13 0.00 0.00 32.58 31.26 3iw4 s HIS 594 CO 0.23 -2.47 2.26 0.00 -2.47 0.00 0.00 174.74 172.29 3iw4 h ALA 595 N 0.55 1.34 0.00 1.58 0.00 -1.90 -1.36 119.26 119.47 3iw4 h ALA 595 Ca -0.50 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 3iw4 h ALA 595 Cb 1.31 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 3iw4 h ALA 595 CO 0.54 -0.07 -0.08 0.35 0.00 0.00 0.00 179.25 179.99 3iw4 h PHE 596 N 0.00 0.00 -0.46 0.00 3.57 -1.90 -2.32 116.94 115.84 3iw4 h PHE 596 Ca 0.01 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3iw4 h PHE 596 Cb 0.12 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.86 3iw4 h PHE 596 CO 0.00 0.08 0.00 1.19 -2.23 0.00 0.00 178.31 177.35 3iw4 n PHE 597 N -3.60 0.94 0.32 0.41 3.72 -0.51 -4.72 117.46 114.01 3iw4 n PHE 597 Ca -0.02 -0.62 0.18 0.00 -0.05 0.00 0.00 57.45 56.94 3iw4 n PHE 597 Cb 0.20 -0.16 0.94 0.00 -0.94 0.00 0.00 39.48 39.52 3iw4 n PHE 597 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 3iw4 h ARG 598 N 2.83 0.00 -0.47 -1.08 0.11 -1.47 0.77 114.38 115.07 3iw4 h ARG 598 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3iw4 h ARG 598 Cb 1.14 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.22 3iw4 h ARG 598 CO 0.12 0.00 0.00 0.54 0.10 0.00 0.00 179.97 180.73 3iw4 n ARG 599 N -3.03 4.17 -3.55 0.08 1.74 -1.26 -4.93 116.66 109.87 3iw4 n ARG 599 Ca -0.02 -3.04 -0.40 0.00 -0.77 0.00 0.00 57.85 53.62 3iw4 n ARG 599 Cb 0.29 -2.10 -0.11 0.00 -1.02 0.00 0.00 32.46 29.53 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 -2.74 5.17 -0.78 0.55 -1.09 0.26 -5.02 121.20 117.56 3iw4 s ILE 600 Ca 0.50 -0.24 -0.25 0.00 -2.23 0.00 0.00 60.65 58.42 3iw4 s ILE 600 Cb 0.39 -3.65 -0.03 0.00 -1.58 0.00 0.00 42.46 37.59 3iw4 s ILE 600 CO 0.14 0.01 1.84 -0.62 -1.23 0.00 0.00 174.94 175.08 3iw4 s ASP 601 N 1.70 5.35 0.24 3.58 -1.08 -1.26 -4.86 116.67 120.34 3iw4 s ASP 601 Ca 0.06 -0.30 -0.04 0.00 -0.52 0.00 0.00 52.55 51.75 3iw4 s ASP 601 Cb -0.17 -2.55 0.41 0.00 -1.46 0.00 0.00 42.92 39.15 3iw4 s ASP 601 CO 0.10 -2.46 1.78 -0.50 0.52 0.00 0.00 175.17 174.61 3iw4 h TRP 602 N 12.64 0.73 -0.48 -5.34 4.06 -1.95 -1.32 115.95 124.30 3iw4 h TRP 602 Ca -0.07 0.03 -0.01 0.00 2.06 0.00 0.00 58.89 60.91 3iw4 h TRP 602 Cb 1.07 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 29.00 3iw4 h TRP 602 CO 1.14 0.25 0.26 0.93 -3.56 0.00 0.00 178.44 177.46 3iw4 h GLU 603 N 0.66 0.66 -0.10 0.49 5.08 -1.98 0.67 114.58 120.06 3iw4 h GLU 603 Ca 0.40 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.65 3iw4 h GLU 603 Cb 0.45 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.57 3iw4 h GLU 603 CO -0.29 0.52 -0.04 0.87 -1.00 0.00 0.00 179.01 179.07 3iw4 h LYS 604 N 0.63 0.20 -0.31 2.33 1.57 -1.89 -2.47 116.57 116.63 3iw4 h LYS 604 Ca 0.17 -0.09 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 3iw4 h LYS 604 Cb 0.05 -0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 3iw4 h LYS 604 CO -0.03 0.55 -0.45 1.25 -0.57 0.00 0.00 179.45 180.21 3iw4 h LEU 605 N -0.15 -1.49 -1.43 2.94 5.85 -1.07 0.23 115.31 120.19 3iw4 h LEU 605 Ca 0.02 0.19 0.11 0.00 0.84 0.00 0.00 57.88 59.04 3iw4 h LEU 605 Cb 0.48 0.61 -0.02 0.00 0.37 0.00 0.00 40.66 42.11 3iw4 h LEU 605 CO 0.01 -0.33 0.69 -0.33 -0.34 0.00 0.00 178.44 178.15 3iw4 h GLU 606 N -0.33 0.00 -0.02 1.25 5.08 -0.75 1.47 114.58 121.28 3iw4 h GLU 606 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3iw4 h GLU 606 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3iw4 h GLU 606 CO -0.47 0.00 -0.24 0.09 -1.00 0.00 0.00 179.01 177.39 3iw4 n ASN 607 N -3.17 2.20 -2.70 1.42 4.13 0.55 -4.85 115.26 112.83 3iw4 n ASN 607 Ca 0.07 -1.60 -0.12 0.00 1.68 0.00 0.00 54.58 54.62 3iw4 n ASN 607 Cb 0.83 0.28 0.06 0.00 -1.54 0.00 0.00 39.78 39.42 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 0.43 -4.21 -0.08 3.52 1.74 0.50 -4.96 116.66 113.60 3iw4 n ARG 608 Ca 0.10 0.60 -0.10 0.00 -0.77 0.00 0.00 57.85 57.67 3iw4 n ARG 608 Cb 0.45 -4.81 -0.10 0.00 -1.02 0.00 0.00 32.46 26.98 3iw4 n ARG 608 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3iw4 n GLU 609 N -3.12 1.03 -1.38 5.56 1.02 -0.17 -4.97 120.64 118.61 3iw4 n GLU 609 Ca -0.18 0.05 -0.36 0.00 -0.02 0.00 0.00 57.16 56.65 3iw4 n GLU 609 Cb 0.61 -1.37 0.07 0.00 -0.02 0.00 0.00 31.44 30.74 3iw4 n GLU 609 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 3iw4 n ILE 610 N -2.80 2.67 -3.71 -3.67 5.41 -1.26 -4.94 119.36 111.07 3iw4 n ILE 610 Ca -0.28 -0.41 -0.36 0.00 1.00 0.00 0.00 62.75 62.70 3iw4 n ILE 610 Cb 0.91 -0.99 -0.09 0.00 -0.71 0.00 0.00 39.64 38.76 3iw4 n ILE 610 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 3iw4 s GLN 611 N -3.03 4.10 0.45 0.38 0.74 -1.26 -4.99 119.66 116.05 3iw4 s GLN 611 Ca 0.72 -0.26 -0.24 0.00 0.05 0.00 0.00 55.36 55.63 3iw4 s GLN 611 Cb -0.36 -3.47 -0.09 0.00 1.10 0.00 0.00 33.01 30.19 3iw4 s GLN 611 CO 0.52 0.16 1.14 -2.30 -0.55 0.00 0.00 175.29 174.26 3iw4 n PRO 612 N 3.96 1.58 -0.17 1.67 -0.02 -1.26 -4.85 135.00 135.91 3iw4 n PRO 612 Ca -0.15 0.57 0.20 0.00 -2.02 0.00 0.00 63.50 62.09 3iw4 n PRO 612 Cb 0.52 -2.24 0.58 0.00 -0.02 0.00 0.00 33.50 32.34 3iw4 n PRO 612 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3iw4 h PRO 613 N 1.66 0.26 -2.03 0.52 0.13 -1.93 -3.43 132.00 127.18 3iw4 h PRO 613 Ca -0.47 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 3iw4 h PRO 613 Cb 1.32 -0.06 -0.19 0.00 0.13 0.00 0.00 31.00 32.20 3iw4 h PRO 613 CO 0.58 0.17 0.20 -0.59 -0.23 0.00 0.00 178.00 178.13 3iw4 s PHE 614 N -5.27 -0.64 -0.25 1.56 -0.12 -1.26 -5.11 117.98 106.89 3iw4 s PHE 614 Ca -0.07 1.08 -0.21 0.00 -0.05 0.00 0.00 56.93 57.67 3iw4 s PHE 614 Cb 0.22 0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 43.01 3iw4 s PHE 614 CO 0.77 -0.61 0.68 0.21 -0.05 0.00 0.00 175.22 176.22 3iw4 s LYS 615 N -1.30 4.14 0.64 1.99 2.20 -1.26 -4.40 119.74 121.75 3iw4 s LYS 615 Ca -0.10 0.66 -0.13 0.00 -0.36 0.00 0.00 55.97 56.03 3iw4 s LYS 615 Cb -0.00 -3.64 -0.01 0.00 -1.51 0.00 0.00 37.83 32.66 3iw4 s LYS 615 CO 0.09 -0.43 1.06 -1.25 -0.36 0.00 0.00 175.35 174.46 3iw4 s PRO 616 N 2.54 3.12 0.24 4.03 0.05 -1.26 -5.00 135.00 138.73 3iw4 s PRO 616 Ca 0.29 1.08 -0.30 0.00 0.05 0.00 0.00 61.00 62.12 3iw4 s PRO 616 Cb -0.15 -2.01 -0.09 0.00 0.05 0.00 0.00 34.50 32.30 3iw4 s PRO 616 CO 0.08 -0.96 1.04 0.15 0.05 0.00 0.00 177.00 177.37 3iw4 s LYS 617 N -4.56 4.71 0.00 4.56 1.02 -1.26 -4.94 119.74 119.27 3iw4 s LYS 617 Ca 0.61 1.67 0.00 0.00 0.02 0.00 0.00 55.97 58.27 3iw4 s LYS 617 Cb -0.15 -3.24 0.00 0.00 -0.52 0.00 0.00 37.83 33.92 3iw4 s LYS 617 CO 0.46 0.29 0.00 1.55 -0.92 0.00 0.00 175.35 176.73 3iw4 n VAL 618 N 1.58 0.00 0.00 3.17 3.14 -1.26 -4.86 118.33 120.10 3iw4 n VAL 618 Ca -0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.37 3iw4 n VAL 618 Cb 0.46 -0.17 0.00 0.00 -1.06 0.00 0.00 33.84 33.07 3iw4 n VAL 618 CO 0.00 0.00 0.00 0.49 -6.46 0.00 0.00 176.83 170.86 3iw4 n PHE 626 N 0.00 0.00 -4.34 1.45 0.99 -1.26 -5.08 117.46 109.22 3iw4 n PHE 626 Ca 0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.11 3iw4 n PHE 626 Cb 0.00 0.00 -0.13 0.00 -1.00 0.00 0.00 39.48 38.35 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 -0.57 4.44 0.53 4.37 2.15 -1.26 -5.05 116.67 121.28 3iw4 s ASP 627 Ca 0.00 -0.26 0.31 0.00 0.43 0.00 0.00 52.55 53.02 3iw4 s ASP 627 Cb 0.00 -1.73 1.42 0.00 -0.30 0.00 0.00 42.92 42.31 3iw4 s ASP 627 CO 0.00 0.11 2.02 0.11 -0.17 0.00 0.00 175.17 177.24 3iw4 h LYS 628 N 7.17 0.00 0.00 4.34 1.57 -2.12 -3.29 116.57 124.25 3iw4 h LYS 628 Ca -0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3iw4 h LYS 628 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.50 3iw4 h LYS 628 CO 0.60 0.09 -0.94 1.19 -0.57 0.00 0.00 179.45 179.82 3iw4 n PHE 629 N -3.33 0.00 -3.97 -1.35 3.72 -1.26 -4.99 117.46 106.28 3iw4 n PHE 629 Ca -0.01 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.29 3iw4 n PHE 629 Cb 0.29 -0.11 -0.12 0.00 -0.94 0.00 0.00 39.48 38.60 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 -2.28 0.24 -0.05 1.38 5.36 -1.24 -5.17 117.98 116.23 3iw4 s PHE 630 Ca 0.00 -0.43 -0.11 0.00 -0.96 0.00 0.00 56.93 55.42 3iw4 s PHE 630 Cb 0.07 -0.17 0.02 0.00 -0.34 0.00 0.00 43.02 42.60 3iw4 s PHE 630 CO 0.39 -0.15 0.27 -0.08 -1.46 0.00 0.00 175.22 174.19 3iw4 s THR 631 N -1.19 0.04 0.14 0.12 -1.32 -1.26 -4.57 115.64 107.60 3iw4 s THR 631 Ca -0.13 -0.32 -0.08 0.00 -1.21 0.00 0.00 61.69 59.95 3iw4 s THR 631 Cb -0.08 -0.49 -0.12 0.00 -1.51 0.00 0.00 72.50 70.29 3iw4 s THR 631 CO -0.01 -0.18 1.38 0.03 -2.21 0.00 0.00 174.62 173.63 3iw4 h ARG 632 N 4.69 0.66 0.00 7.08 3.08 -2.02 -3.50 114.38 124.37 3iw4 h ARG 632 Ca -0.28 -0.51 0.00 0.00 0.07 0.00 0.00 59.98 59.25 3iw4 h ARG 632 Cb 1.19 0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.33 3iw4 h ARG 632 CO 0.37 1.13 0.00 0.41 -1.07 0.00 0.00 179.97 180.81 3iw4 n GLY 633 N 0.57 1.56 3.72 0.04 0.00 -1.26 -4.98 105.19 104.84 3iw4 n GLY 633 Ca -0.06 -1.67 -0.43 0.00 0.00 0.00 0.00 46.02 43.87 3iw4 n GLY 633 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3iw4 n GLN 634 N 1.57 2.52 -2.37 1.61 -0.06 -1.26 -4.96 117.38 114.42 3iw4 n GLN 634 Ca 0.00 0.90 -0.42 0.00 -2.00 0.00 0.00 57.00 55.47 3iw4 n GLN 634 Cb 0.00 -2.66 -0.03 0.00 -4.06 0.00 0.00 30.24 23.49 3iw4 n GLN 634 CO 0.00 0.00 0.00 -1.25 -0.20 0.00 0.00 177.06 175.61 3iw4 s PRO 635 N -0.09 4.32 0.37 3.69 0.05 -1.26 -5.02 135.00 137.05 3iw4 s PRO 635 Ca 0.68 1.78 0.05 0.00 0.05 0.00 0.00 61.00 63.56 3iw4 s PRO 635 Cb -0.55 -3.59 -0.07 0.00 0.05 0.00 0.00 34.50 30.35 3iw4 s PRO 635 CO 0.45 -0.52 0.04 0.14 0.05 0.00 0.00 177.00 177.16 3iw4 s VAL 636 N 2.41 1.48 0.00 -0.36 -7.23 -1.26 -4.82 120.40 110.62 3iw4 s VAL 636 Ca 0.59 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.76 3iw4 s VAL 636 Cb -0.27 -2.84 0.00 0.00 0.56 0.00 0.00 36.38 33.83 3iw4 s VAL 636 CO 0.23 0.00 0.00 0.18 -0.31 0.00 0.00 175.10 175.20 3iw4 n LEU 637 N -0.82 0.00 -4.67 1.32 4.32 -1.26 -5.23 117.00 110.67 3iw4 n LEU 637 Ca -0.04 0.00 -0.23 0.00 -0.02 0.00 0.00 56.01 55.72 3iw4 n LEU 637 Cb 0.67 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 42.40 3iw4 n LEU 637 CO 0.45 0.00 -0.31 -2.84 -1.22 0.00 0.00 177.39 173.47 3iw4 s PRO 639 N 4.63 2.36 0.34 3.23 0.02 -1.26 -5.22 135.00 139.10 3iw4 s PRO 639 Ca 0.00 -1.39 -0.28 0.00 0.02 0.00 0.00 61.00 59.36 3iw4 s PRO 639 Cb 0.00 -2.20 -0.09 0.00 0.02 0.00 0.00 34.50 32.22 3iw4 s PRO 639 CO 0.00 0.36 1.19 -1.25 -0.33 0.00 0.00 177.00 176.97 3iw4 s PRO 640 N -3.70 4.35 -0.57 5.54 0.04 -1.26 -4.97 135.00 134.43 3iw4 s PRO 640 Ca 0.32 1.94 -0.26 0.00 0.04 0.00 0.00 61.00 63.04 3iw4 s PRO 640 Cb -0.06 -2.97 0.04 0.00 0.04 0.00 0.00 34.50 31.54 3iw4 s PRO 640 CO 0.21 -0.10 1.06 0.34 0.04 0.00 0.00 177.00 178.55 3iw4 s ASP 641 N -0.85 6.38 0.26 6.66 2.15 -1.26 -4.94 116.67 125.08 3iw4 s ASP 641 Ca 0.50 -0.16 -0.01 0.00 0.43 0.00 0.00 52.55 53.31 3iw4 s ASP 641 Cb -0.34 -2.49 0.56 0.00 -0.30 0.00 0.00 42.92 40.35 3iw4 s ASP 641 CO 0.44 -1.35 1.71 1.56 -0.17 0.00 0.00 175.17 177.35 3iw4 h GLN 642 N 9.43 0.39 0.84 4.34 1.08 -1.99 0.51 115.11 129.71 3iw4 h GLN 642 Ca -0.26 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 56.88 3iw4 h GLN 642 Cb 1.07 -0.09 0.01 0.00 -0.05 0.00 0.00 27.48 28.42 3iw4 h GLN 642 CO 1.14 0.26 -0.40 1.25 -0.95 0.00 0.00 178.83 180.12 3iw4 h LEU 643 N 0.40 -0.96 -0.90 1.46 5.85 -2.00 -1.88 115.31 117.29 3iw4 h LEU 643 Ca 0.47 0.03 0.17 0.00 0.84 0.00 0.00 57.88 59.38 3iw4 h LEU 643 Cb 0.80 0.25 -0.16 0.00 0.37 0.00 0.00 40.66 41.91 3iw4 h LEU 643 CO -0.47 -0.65 -0.28 0.58 -0.34 0.00 0.00 178.44 177.28 3iw4 h VAL 644 N -1.18 0.08 -0.42 1.05 2.07 -1.64 -0.76 116.25 115.45 3iw4 h VAL 644 Ca -0.12 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.47 3iw4 h VAL 644 Cb 0.87 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3iw4 h VAL 644 CO 0.19 0.00 0.29 0.40 0.02 0.00 0.00 177.57 178.47 3iw4 h ILE 645 N -0.02 0.94 0.00 4.57 1.08 -0.50 -1.55 117.51 122.03 3iw4 h ILE 645 Ca 0.40 -0.10 0.00 0.00 -0.39 0.00 0.00 64.86 64.76 3iw4 h ILE 645 Cb 0.64 0.62 0.00 0.00 -3.07 0.00 0.00 36.82 35.01 3iw4 h ILE 645 CO -0.92 0.05 0.00 0.00 -0.69 0.00 0.00 178.15 176.59 3iw4 n ALA 646 N -2.53 2.12 -1.49 1.87 0.00 -0.30 -3.21 120.51 116.97 3iw4 n ALA 646 Ca 0.06 -0.04 0.07 0.00 0.00 0.00 0.00 53.44 53.52 3iw4 n ALA 646 Cb 0.28 -1.42 0.12 0.00 0.00 0.00 0.00 19.45 18.42 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 -1.87 1.63 -4.68 0.00 3.02 -0.60 -4.95 115.26 107.80 3iw4 n ASN 647 Ca 0.05 -2.94 -0.41 0.00 -0.03 0.00 0.00 54.58 51.25 3iw4 n ASN 647 Cb 0.33 -0.39 -0.05 0.00 -0.61 0.00 0.00 39.78 39.06 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 -2.13 4.96 -0.95 2.41 1.01 -1.10 -5.01 121.20 120.39 3iw4 s ILE 648 Ca 0.27 1.49 -0.24 0.00 0.00 0.00 0.00 60.65 62.17 3iw4 s ILE 648 Cb 0.25 -4.07 -0.01 0.00 0.01 0.00 0.00 42.46 38.63 3iw4 s ILE 648 CO -0.01 0.11 1.77 -0.62 0.00 0.00 0.00 174.94 176.19 3iw4 s ASP 649 N 1.06 5.63 0.18 3.58 -1.08 -1.26 -4.86 116.67 119.92 3iw4 s ASP 649 Ca 0.36 -0.99 0.17 0.00 -0.52 0.00 0.00 52.55 51.57 3iw4 s ASP 649 Cb -0.17 -2.56 0.79 0.00 -1.46 0.00 0.00 42.92 39.51 3iw4 s ASP 649 CO 0.14 -2.31 1.52 0.00 0.52 0.00 0.00 175.17 175.04 3iw4 n GLN 650 N 8.85 0.11 0.00 4.34 1.13 -1.26 -2.52 117.38 128.02 3iw4 n GLN 650 Ca 0.38 0.47 0.07 0.00 -1.94 0.00 0.00 57.00 55.98 3iw4 n GLN 650 Cb 0.48 -1.76 0.33 0.00 0.11 0.00 0.00 30.24 29.41 3iw4 n GLN 650 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 3iw4 n SER 651 N -1.97 0.00 0.21 1.08 3.41 -1.26 -2.15 113.62 112.95 3iw4 n SER 651 Ca 0.01 0.48 0.15 0.00 -0.26 0.00 0.00 58.87 59.25 3iw4 n SER 651 Cb 0.12 -0.49 0.60 0.00 -0.26 0.00 0.00 64.21 64.18 3iw4 n SER 651 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3iw4 h ASP 652 N 0.00 0.00 -0.13 4.04 3.32 -1.92 -3.02 116.42 118.72 3iw4 h ASP 652 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3iw4 h ASP 652 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3iw4 h ASP 652 CO 0.00 0.00 0.00 0.49 -1.72 0.00 0.00 179.24 178.01 3iw4 n PHE 653 N -2.71 0.27 -1.67 4.55 0.99 -0.91 -4.96 117.46 113.02 3iw4 n PHE 653 Ca 0.01 -0.67 -0.47 0.00 -0.00 0.00 0.00 57.45 56.32 3iw4 n PHE 653 Cb 0.27 -0.11 -0.04 0.00 -1.00 0.00 0.00 39.48 38.60 3iw4 n PHE 653 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.76 174.85 3iw4 n GLU 654 N -0.46 2.08 -1.37 -1.08 2.13 -1.14 -1.01 120.64 119.80 3iw4 n GLU 654 Ca 0.10 0.75 -0.10 0.00 0.66 0.00 0.00 57.16 58.57 3iw4 n GLU 654 Cb 0.49 -2.52 -0.04 0.00 0.27 0.00 0.00 31.44 29.63 3iw4 n GLU 654 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3iw4 n GLY 655 N 3.51 1.04 0.95 8.31 0.00 -1.26 -5.13 105.19 112.61 3iw4 n GLY 655 Ca 0.18 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.83 0.00 0.00 1.61 7.35 -0.18 -5.07 117.46 118.34 3iw4 n PHE 656 Ca -0.10 -0.10 0.00 0.00 -0.76 0.00 0.00 57.45 56.49 3iw4 n PHE 656 Cb 0.35 -0.12 0.00 0.00 0.35 0.00 0.00 39.48 40.06 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 0.84 0.00 -4.30 -5.13 9.36 -1.09 -4.71 117.16 112.13 3iw4 n TYR 658 Ca 0.00 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.89 3iw4 n TYR 658 Cb 0.10 0.00 -0.16 0.00 -0.63 0.00 0.00 39.34 38.65 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 -1.35 2.03 -0.03 2.97 1.01 -1.26 0.21 120.40 123.98 3iw4 s VAL 659 Ca 0.00 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.75 3iw4 s VAL 659 Cb 0.00 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.49 3iw4 s VAL 659 CO 0.00 0.54 1.79 0.21 0.00 0.00 0.00 175.10 177.64 3iw4 s ASN 660 N 1.14 6.54 0.13 3.32 2.47 -0.33 -4.88 114.94 123.33 3iw4 s ASN 660 Ca 0.01 2.38 -0.12 0.00 0.42 0.00 0.00 52.86 55.55 3iw4 s ASN 660 Cb -0.14 -2.53 -0.08 0.00 -1.45 0.00 0.00 41.25 37.05 3iw4 s ASN 660 CO -0.09 -1.01 1.43 1.55 -3.72 0.00 0.00 177.10 175.25 3iw4 h PRO 661 N 10.12 0.88 -2.11 0.43 0.13 -1.94 -3.35 132.00 136.16 3iw4 h PRO 661 Ca -0.43 -0.52 -0.69 0.00 -0.87 0.00 0.00 66.00 63.49 3iw4 h PRO 661 Cb 1.20 0.05 -0.35 0.00 0.13 0.00 0.00 31.00 32.03 3iw4 h PRO 661 CO 0.95 1.16 0.12 1.04 -0.23 0.00 0.00 178.00 181.04 3iw4 n GLN 662 N -4.05 3.92 -2.59 0.86 1.13 -1.26 -4.93 117.38 110.45 3iw4 n GLN 662 Ca -0.04 -4.56 -0.41 0.00 -1.94 0.00 0.00 57.00 50.05 3iw4 n GLN 662 Cb 0.59 -2.32 -0.03 0.00 0.11 0.00 0.00 30.24 28.59 3iw4 n GLN 662 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 3iw4 s PHE 663 N -3.85 2.39 -0.22 1.08 5.36 -1.26 -4.98 117.98 116.50 3iw4 s PHE 663 Ca 0.46 -0.00 -0.31 0.00 -0.96 0.00 0.00 56.93 56.12 3iw4 s PHE 663 Cb 0.29 -4.56 -0.08 0.00 -0.34 0.00 0.00 43.02 38.33 3iw4 s PHE 663 CO -0.18 -1.93 2.16 0.28 -1.46 0.00 0.00 175.22 174.08 3iw4 n VAL 664 N 6.39 0.36 -1.65 3.12 0.31 -1.26 -4.98 118.33 120.62 3iw4 n VAL 664 Ca 0.03 -0.34 -0.29 0.00 -0.01 0.00 0.00 64.34 63.73 3iw4 n VAL 664 Cb 0.49 -2.21 0.13 0.00 -0.91 0.00 0.00 33.84 31.34 3iw4 n VAL 664 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3iw4 s HIS 665 N 7.28 2.45 0.24 3.52 0.09 -1.26 -4.94 115.29 122.68 3iw4 s HIS 665 Ca 1.02 0.76 -0.31 0.00 -0.00 0.00 0.00 55.06 56.53 3iw4 s HIS 665 Cb -0.53 -3.49 -0.11 0.00 -0.00 0.00 0.00 32.58 28.45 3iw4 s HIS 665 CO 0.41 -2.31 1.61 -2.14 -0.00 0.00 0.00 174.74 172.31 3iw4 s PRO 666 N -5.42 4.15 0.68 8.40 0.02 -1.26 -4.98 135.00 136.60 3iw4 s PRO 666 Ca 0.65 2.52 -0.11 0.00 0.02 0.00 0.00 61.00 64.08 3iw4 s PRO 666 Cb -0.13 -3.07 -0.00 0.00 0.02 0.00 0.00 34.50 31.33 3iw4 s PRO 666 CO 0.52 -0.64 1.06 0.42 -0.33 0.00 0.00 177.00 178.03 3iw4 s ILE 667 N 0.49 4.12 -0.11 2.83 -1.09 -1.26 -5.03 121.20 121.15 3iw4 s ILE 667 Ca 0.67 0.70 -0.30 0.00 -2.23 0.00 0.00 60.65 59.50 3iw4 s ILE 667 Cb -0.47 -3.47 -0.02 0.00 -1.58 0.00 0.00 42.46 36.92 3iw4 s ILE 667 CO 0.40 -0.88 1.17 -0.76 -1.23 0.00 0.00 174.94 173.64 3iw4 s LEU 668 N -5.44 4.23 0.44 2.97 1.02 -1.26 -5.02 118.68 115.61 3iw4 s LEU 668 Ca 0.58 1.69 -0.17 0.00 0.02 0.00 0.00 54.13 56.25 3iw4 s LEU 668 Cb -0.14 -3.55 -0.09 0.00 0.02 0.00 0.00 46.19 42.43 3iw4 s LEU 668 CO 0.54 -0.62 0.90 -1.10 0.02 0.00 0.00 176.35 176.09 3iw4 s GLN 669 N 2.65 4.04 0.00 1.70 -0.21 -1.26 -5.26 119.66 121.32 3iw4 s GLN 669 Ca 0.53 0.90 0.00 0.00 0.02 0.00 0.00 55.36 56.81 3iw4 s GLN 669 Cb -0.22 -2.24 0.00 0.00 1.00 0.00 0.00 33.01 31.56 3iw4 s GLN 669 CO 0.18 -0.08 0.43 0.45 -2.12 0.00 0.00 175.29 174.14