#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3if8 s PHE 340 N 0.00 2.85 -0.18 1.96 0.08 -1.26 -4.98 117.98 116.45 3if8 s PHE 340 Ca 0.00 1.53 -0.22 0.00 0.12 0.00 0.00 56.93 58.36 3if8 s PHE 340 Cb 0.00 -3.08 -0.02 0.00 -0.57 0.00 0.00 43.02 39.35 3if8 s PHE 340 CO 0.00 -1.32 0.68 0.21 -0.10 0.00 0.00 175.22 174.69 3if8 s LYS 341 N -4.02 4.25 0.14 0.44 2.20 -1.26 -5.03 119.74 116.46 3if8 s LYS 341 Ca 0.65 0.73 -0.30 0.00 -0.36 0.00 0.00 55.97 56.69 3if8 s LYS 341 Cb -0.18 -3.57 -0.07 0.00 -1.51 0.00 0.00 37.83 32.51 3if8 s LYS 341 CO 0.38 -0.24 0.96 0.08 -0.36 0.00 0.00 175.35 176.16 3if8 s VAL 342 N 1.90 4.39 -0.62 4.02 1.01 -1.26 -4.93 120.40 124.92 3if8 s VAL 342 Ca 0.32 2.07 -0.27 0.00 0.00 0.00 0.00 61.98 64.10 3if8 s VAL 342 Cb -0.16 -4.32 -0.01 0.00 0.00 0.00 0.00 36.38 31.89 3if8 s VAL 342 CO 0.11 0.36 1.75 -0.60 0.00 0.00 0.00 175.10 176.72 3if8 s ARG 343 N -0.27 2.77 0.00 2.72 3.52 -1.26 -4.82 118.95 121.61 3if8 s ARG 343 Ca 0.46 0.51 0.18 0.00 -0.13 0.00 0.00 55.73 56.75 3if8 s ARG 343 Cb -0.24 -4.34 -0.12 0.00 -1.56 0.00 0.00 34.95 28.69 3if8 s ARG 343 CO 0.30 -2.57 0.83 -1.13 -0.81 0.00 0.00 175.30 171.93 3if8 n SER 344 N 11.99 1.22 -3.17 -2.12 3.41 -1.26 -4.73 113.62 118.96 3if8 n SER 344 Ca 0.17 -1.11 -0.31 0.00 -0.26 0.00 0.00 58.87 57.36 3if8 n SER 344 Cb 0.51 0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 65.22 3if8 n SER 344 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3if8 n ASP 345 N -0.89 7.20 -4.76 4.04 2.03 -1.26 -4.93 116.55 117.98 3if8 n ASP 345 Ca 0.05 -2.47 -0.39 0.00 0.52 0.00 0.00 54.79 52.50 3if8 n ASP 345 Cb 0.32 -1.38 -0.05 0.00 -0.72 0.00 0.00 41.12 39.29 3if8 n ASP 345 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3if8 s LEU 346 N 0.13 4.47 0.68 -2.67 1.43 -1.26 -5.04 118.68 116.42 3if8 s LEU 346 Ca 0.59 1.36 -0.02 0.00 -1.03 0.00 0.00 54.13 55.03 3if8 s LEU 346 Cb 0.16 -3.11 0.09 0.00 0.03 0.00 0.00 46.19 43.36 3if8 s LEU 346 CO -0.05 0.09 0.95 1.51 0.23 0.00 0.00 176.35 179.09 3if8 s ASP 347 N -0.35 4.65 0.28 2.29 1.47 -1.26 -4.77 116.67 118.98 3if8 s ASP 347 Ca 0.35 -0.04 -0.07 0.00 1.18 0.00 0.00 52.55 53.97 3if8 s ASP 347 Cb -0.20 -0.53 0.49 0.00 -0.34 0.00 0.00 42.92 42.34 3if8 s ASP 347 CO 0.21 -1.64 1.57 0.15 0.68 0.00 0.00 175.17 176.13 3if8 h PHE 348 N -0.44 -0.46 -0.33 2.11 3.04 -1.93 0.56 116.94 119.50 3if8 h PHE 348 Ca -0.40 0.09 -0.12 0.00 3.98 0.00 0.00 57.97 61.51 3if8 h PHE 348 Cb 1.28 0.35 -0.01 0.00 2.56 0.00 0.00 35.95 40.14 3if8 h PHE 348 CO 0.03 -0.42 -0.29 0.00 -2.02 0.00 0.00 178.31 175.60 3if8 h ALA 349 N 1.98 0.87 -0.23 2.41 0.00 -1.94 -1.33 119.26 121.02 3if8 h ALA 349 Ca 0.49 -0.40 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 3if8 h ALA 349 Cb 0.78 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 3if8 h ALA 349 CO -1.00 0.63 -0.54 0.93 0.00 0.00 0.00 179.25 179.27 3if8 h GLU 350 N 0.59 0.68 -0.12 0.00 5.08 -1.38 -1.76 114.58 117.68 3if8 h GLU 350 Ca 0.07 -0.43 -0.13 0.00 -1.00 0.00 0.00 59.36 57.87 3if8 h GLU 350 Cb 0.80 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 3if8 h GLU 350 CO 0.07 1.05 -0.48 1.96 -1.00 0.00 0.00 179.01 180.60 3if8 h GLN 351 N 0.53 0.30 -0.31 2.33 4.20 -0.79 -2.25 115.11 119.12 3if8 h GLN 351 Ca 0.01 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 3if8 h GLN 351 Cb 1.11 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.89 3if8 h GLN 351 CO 0.11 0.72 0.12 1.25 -0.67 0.00 0.00 178.83 180.37 3if8 h LEU 352 N 0.24 0.43 -0.24 1.46 6.46 -1.16 -1.98 115.31 120.52 3if8 h LEU 352 Ca 0.01 -0.16 0.01 0.00 -0.12 0.00 0.00 57.88 57.62 3if8 h LEU 352 Cb 0.94 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.74 3if8 h LEU 352 CO 0.08 0.47 0.12 -0.25 -0.62 0.00 0.00 178.44 178.24 3if8 h TRP 353 N 0.35 0.22 -0.60 1.25 2.91 -1.14 -0.66 115.95 118.28 3if8 h TRP 353 Ca 0.10 0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.14 3if8 h TRP 353 Cb 0.18 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 28.74 3if8 h TRP 353 CO -0.01 0.12 0.40 0.00 -1.03 0.00 0.00 178.44 177.92 3if8 h LYS 355 N 0.81 0.29 -0.00 0.00 1.57 -1.22 -3.02 116.57 114.99 3if8 h LYS 355 Ca 0.22 -0.06 -0.16 0.00 -1.87 0.00 0.00 60.65 58.77 3if8 h LYS 355 Cb -0.09 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3if8 h LYS 355 CO -0.05 0.41 -0.75 0.52 -0.57 0.00 0.00 179.45 179.00 3if8 h MET 356 N 0.12 0.05 0.00 3.15 2.86 -0.94 -2.93 114.93 117.24 3if8 h MET 356 Ca 0.06 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 3if8 h MET 356 Cb 0.24 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 3if8 h MET 356 CO -0.00 0.78 -0.15 0.66 1.06 0.00 0.00 176.91 179.25 3if8 h SER 357 N 0.03 0.00 -0.05 1.22 4.64 -0.59 -1.20 113.55 117.59 3if8 h SER 357 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3if8 h SER 357 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3if8 h SER 357 CO 0.10 0.15 0.00 -1.54 -0.87 0.00 0.00 176.83 174.68 3if8 n SER 358 N -3.28 2.50 0.00 4.97 3.41 -1.12 -4.70 113.62 115.39 3if8 n SER 358 Ca 0.01 -1.83 0.00 0.00 -0.26 0.00 0.00 58.87 56.79 3if8 n SER 358 Cb 0.41 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3if8 n SER 358 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3if8 n SER 359 N 0.94 1.62 -4.68 4.04 3.41 -1.10 -5.07 113.62 112.77 3if8 n SER 359 Ca 0.16 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.32 3if8 n SER 359 Cb 0.51 0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.50 3if8 n SER 359 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3if8 n VAL 360 N -1.56 0.26 -0.42 -3.33 0.31 -0.47 -4.90 118.33 108.22 3if8 n VAL 360 Ca 0.00 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 3if8 n VAL 360 Cb 0.18 -1.88 0.01 0.00 -0.91 0.00 0.00 33.84 31.24 3if8 n VAL 360 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 3if8 n ILE 361 N 4.31 0.70 -3.63 2.52 -5.35 -1.26 -4.99 119.36 111.66 3if8 n ILE 361 Ca 0.18 -0.72 -0.04 0.00 -0.27 0.00 0.00 62.75 61.90 3if8 n ILE 361 Cb 0.33 0.62 -0.01 0.00 -1.74 0.00 0.00 39.64 38.84 3if8 n ILE 361 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 3if8 s SER 362 N -0.77 -0.21 0.15 7.28 1.04 -1.26 -5.02 113.70 114.91 3if8 s SER 362 Ca 0.02 -0.17 -0.16 0.00 0.48 0.00 0.00 55.95 56.11 3if8 s SER 362 Cb 0.01 0.35 0.04 0.00 0.10 0.00 0.00 66.02 66.51 3if8 s SER 362 CO 0.00 -0.61 1.78 0.22 0.98 0.00 0.00 173.24 175.62 3if8 h TYR 363 N 2.00 0.36 -0.22 5.02 3.20 -2.01 -2.83 116.97 122.48 3if8 h TYR 363 Ca -0.23 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.62 3if8 h TYR 363 Cb 1.22 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 3if8 h TYR 363 CO 0.32 0.20 -0.03 1.96 -1.64 0.00 0.00 178.16 178.96 3if8 h GLN 364 N 0.39 0.34 -0.58 1.82 1.08 -1.99 0.29 115.11 116.45 3if8 h GLN 364 Ca 0.15 -0.06 0.12 0.00 -1.45 0.00 0.00 58.65 57.41 3if8 h GLN 364 Cb 0.05 -0.05 -0.11 0.00 -0.05 0.00 0.00 27.48 27.32 3if8 h GLN 364 CO -0.09 0.39 -0.08 -0.44 -0.95 0.00 0.00 178.83 177.66 3if8 h ASP 365 N 0.33 -0.41 -0.57 1.46 3.32 -1.90 -0.93 116.42 117.71 3if8 h ASP 365 Ca 0.07 0.16 -0.06 0.00 0.02 0.00 0.00 57.03 57.22 3if8 h ASP 365 Cb 0.28 0.31 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 3if8 h ASP 365 CO 0.01 -0.16 0.11 -0.07 -1.72 0.00 0.00 179.24 177.42 3if8 h LEU 366 N 0.05 0.89 -0.30 1.55 3.38 -0.40 -0.23 115.31 120.25 3if8 h LEU 366 Ca 0.29 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3if8 h LEU 366 Cb 0.46 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3if8 h LEU 366 CO -0.56 0.91 0.19 0.58 0.09 0.00 0.00 178.44 179.66 3if8 h VAL 367 N 0.83 1.09 -0.32 1.22 2.07 -1.05 -0.98 116.25 119.13 3if8 h VAL 367 Ca 0.18 -0.20 -0.10 0.00 0.82 0.00 0.00 66.70 67.40 3if8 h VAL 367 Cb 0.39 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 3if8 h VAL 367 CO 0.01 0.09 -0.18 0.11 0.02 0.00 0.00 177.57 177.62 3if8 h LYS 368 N 0.40 0.68 -0.22 1.57 1.57 -0.95 0.15 116.57 119.77 3if8 h LYS 368 Ca 0.11 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3if8 h LYS 368 Cb -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3if8 h LYS 368 CO -0.02 0.91 0.11 0.00 -0.57 0.00 0.00 179.45 179.88 3if8 h PHE 370 N 0.23 0.00 -0.49 0.00 0.04 -1.10 -2.83 116.94 112.79 3if8 h PHE 370 Ca 0.08 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.82 3if8 h PHE 370 Cb 0.09 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.21 3if8 h PHE 370 CO -0.03 0.45 0.19 1.15 -0.60 0.00 0.00 178.31 179.47 3if8 h THR 371 N 0.00 1.21 -0.79 -1.55 2.02 -0.45 -1.69 112.91 111.66 3if8 h THR 371 Ca -0.00 -0.67 -0.03 0.00 0.77 0.00 0.00 66.41 66.47 3if8 h THR 371 Cb 0.87 0.74 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 3if8 h THR 371 CO 0.06 0.25 0.36 -0.07 0.37 0.00 0.00 175.52 176.49 3if8 h LEU 372 N 0.65 1.05 -0.28 2.58 3.38 -1.15 -1.83 115.31 119.72 3if8 h LEU 372 Ca 0.16 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3if8 h LEU 372 Cb 0.21 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3if8 h LEU 372 CO -0.01 0.90 -0.16 0.40 0.09 0.00 0.00 178.44 179.66 3if8 h ILE 373 N 1.13 1.30 -0.45 1.22 2.04 -1.38 -0.51 117.51 120.85 3if8 h ILE 373 Ca 0.27 -1.27 -0.04 0.00 1.00 0.00 0.00 64.86 64.82 3if8 h ILE 373 Cb 0.14 1.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3if8 h ILE 373 CO -0.03 0.40 0.11 0.40 0.00 0.00 0.00 178.15 179.03 3if8 h ILE 374 N 0.35 1.23 -0.67 -0.67 2.04 -1.19 -0.75 117.51 117.85 3if8 h ILE 374 Ca 0.06 -0.81 -0.07 0.00 1.00 0.00 0.00 64.86 65.04 3if8 h ILE 374 Cb 0.69 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 3if8 h ILE 374 CO 0.05 0.29 0.14 1.56 0.00 0.00 0.00 178.15 180.18 3if8 h GLN 375 N 0.60 1.07 -0.22 2.37 4.20 -1.35 0.21 115.11 121.99 3if8 h GLN 375 Ca 0.14 -0.27 -0.03 0.00 0.06 0.00 0.00 58.65 58.56 3if8 h GLN 375 Cb 0.32 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3if8 h GLN 375 CO 0.00 0.97 0.02 1.03 -0.67 0.00 0.00 178.83 180.18 3if8 h SER 376 N 1.01 0.29 0.07 1.46 0.87 -0.80 0.08 113.55 116.54 3if8 h SER 376 Ca 0.21 -0.03 -0.17 0.00 -1.23 0.00 0.00 61.79 60.56 3if8 h SER 376 Cb 0.39 -0.07 0.02 0.00 -0.44 0.00 0.00 62.40 62.30 3if8 h SER 376 CO 0.01 0.33 -0.70 -0.07 -0.53 0.00 0.00 176.83 175.86 3if8 h LEU 377 N 0.32 0.49 -1.07 2.23 3.38 -0.43 -1.28 115.31 118.95 3if8 h LEU 377 Ca 0.08 -0.86 -0.08 0.00 0.09 0.00 0.00 57.88 57.11 3if8 h LEU 377 Cb 0.18 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3if8 h LEU 377 CO 0.00 1.30 -0.19 1.56 0.09 0.00 0.00 178.44 181.21 3if8 h GLN 378 N -0.25 0.44 0.00 1.13 4.20 -0.44 -0.24 115.11 119.95 3if8 h GLN 378 Ca -0.11 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.46 3if8 h GLN 378 Cb 1.48 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.22 3if8 h GLN 378 CO 0.13 0.61 0.00 -2.13 -0.67 0.00 0.00 178.83 176.78 3if8 n ARG 379 N -4.17 0.17 -1.14 1.46 0.63 0.00 -4.90 116.66 108.72 3if8 n ARG 379 Ca -0.00 0.32 -0.05 0.00 -0.92 0.00 0.00 57.85 57.20 3if8 n ARG 379 Cb 0.35 -1.78 -0.02 0.00 0.45 0.00 0.00 32.46 31.46 3if8 n ARG 379 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3if8 n GLY 380 N 0.42 0.66 0.09 5.14 0.00 -0.10 -4.91 105.19 106.50 3if8 n GLY 380 Ca 0.03 -0.21 0.09 0.00 0.00 0.00 0.00 46.02 45.93 3if8 n GLY 380 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3if8 n ASP 381 N -0.25 0.41 -3.99 1.61 8.00 -0.50 -4.77 116.55 117.07 3if8 n ASP 381 Ca -0.05 0.63 -0.09 0.00 0.71 0.00 0.00 54.79 55.99 3if8 n ASP 381 Cb 0.32 -0.71 -0.11 0.00 -0.02 0.00 0.00 41.12 40.60 3if8 n ASP 381 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3if8 s ILE 382 N -3.27 0.14 -0.44 0.53 -4.36 -1.24 -5.07 121.20 107.49 3if8 s ILE 382 Ca 0.03 -0.92 0.02 0.00 -0.26 0.00 0.00 60.65 59.52 3if8 s ILE 382 Cb 0.07 -0.28 0.13 0.00 1.25 0.00 0.00 42.46 43.63 3if8 s ILE 382 CO 0.26 -0.49 0.23 -1.10 0.24 0.00 0.00 174.94 174.09 3if8 s GLN 383 N -1.46 1.29 0.34 0.37 -0.21 -1.26 -4.88 119.66 113.84 3if8 s GLN 383 Ca -0.15 -2.00 -0.13 0.00 0.02 0.00 0.00 55.36 53.09 3if8 s GLN 383 Cb -0.10 -2.35 -0.08 0.00 1.00 0.00 0.00 33.01 31.48 3if8 s GLN 383 CO -0.01 -1.16 0.73 -1.25 -2.12 0.00 0.00 175.29 171.49 3if8 s PRO 384 N 0.37 3.93 -0.00 2.91 0.05 -1.26 -5.07 135.00 135.93 3if8 s PRO 384 Ca 0.17 0.60 -0.05 0.00 0.05 0.00 0.00 61.00 61.77 3if8 s PRO 384 Cb -0.24 -2.43 -0.04 0.00 0.05 0.00 0.00 34.50 31.83 3if8 s PRO 384 CO 0.00 0.11 0.23 1.67 0.05 0.00 0.00 177.00 179.06 3if8 s TRP 385 N -2.08 3.56 0.01 0.56 -2.14 -1.26 -5.03 118.94 112.56 3if8 s TRP 385 Ca 0.53 0.47 0.06 0.00 2.66 0.00 0.00 56.10 59.82 3if8 s TRP 385 Cb -0.10 -1.92 -0.02 0.00 -3.10 0.00 0.00 33.47 28.33 3if8 s TRP 385 CO 0.21 0.63 -0.18 -0.51 -2.66 0.00 0.00 176.95 174.44 3if8 s LEU 386 N -1.82 2.08 0.33 -4.66 1.02 -1.26 -2.84 118.68 111.53 3if8 s LEU 386 Ca 0.27 -0.39 -0.29 0.00 0.02 0.00 0.00 54.13 53.74 3if8 s LEU 386 Cb -0.13 -0.91 -0.11 0.00 0.02 0.00 0.00 46.19 45.07 3if8 s LEU 386 CO 0.17 0.19 1.47 -1.00 0.02 0.00 0.00 176.35 177.19 3if8 s HIS 387 N -0.56 2.78 0.80 0.29 3.76 -1.26 -4.98 115.29 116.13 3if8 s HIS 387 Ca 0.07 1.11 -0.13 0.00 -0.15 0.00 0.00 55.06 55.96 3if8 s HIS 387 Cb -0.07 -3.93 0.08 0.00 1.11 0.00 0.00 32.58 29.77 3if8 s HIS 387 CO 0.00 -2.84 1.18 -1.54 -0.85 0.00 0.00 174.74 170.69 3if8 s SER 388 N 0.00 3.69 -0.33 1.40 1.04 -1.26 -4.51 113.70 113.73 3if8 s SER 388 Ca 0.55 2.29 -0.00 0.00 0.48 0.00 0.00 55.95 59.27 3if8 s SER 388 Cb -0.45 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.09 3if8 s SER 388 CO 0.55 -2.60 0.31 0.61 0.98 0.00 0.00 173.24 173.08 3if8 n GLY 389 N 0.28 -0.57 2.88 7.32 0.00 -1.26 -5.08 105.19 108.76 3if8 n GLY 389 Ca 0.13 0.08 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 3if8 n GLY 389 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3if8 s SER 390 N -2.54 0.59 -0.27 1.61 0.01 -1.26 -5.05 113.70 106.79 3if8 s SER 390 Ca 0.03 -0.07 0.12 0.00 1.31 0.00 0.00 55.95 57.34 3if8 s SER 390 Cb -0.00 -0.24 0.77 0.00 0.21 0.00 0.00 66.02 66.75 3if8 s SER 390 CO 0.31 -0.04 1.75 -0.46 0.41 0.00 0.00 173.24 175.21 3if8 n ASN 391 N 3.78 5.25 -4.77 2.44 2.04 -1.26 -4.80 115.26 117.94 3if8 n ASN 391 Ca -0.23 -3.03 -0.37 0.00 -0.44 0.00 0.00 54.58 50.51 3if8 n ASN 391 Cb 0.53 -0.71 -0.02 0.00 -2.53 0.00 0.00 39.78 37.05 3if8 n ASN 391 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 3if8 s SER 392 N -0.84 6.41 0.29 0.53 1.04 -1.26 -4.94 113.70 114.92 3if8 s SER 392 Ca 0.53 2.29 0.02 0.00 0.48 0.00 0.00 55.95 59.27 3if8 s SER 392 Cb 0.42 -2.61 0.59 0.00 0.10 0.00 0.00 66.02 64.52 3if8 s SER 392 CO 0.14 -0.75 1.82 0.25 0.98 0.00 0.00 173.24 175.68 3if8 h LEU 393 N 2.37 0.89 -0.24 2.42 6.46 -1.94 -2.47 115.31 122.80 3if8 h LEU 393 Ca -0.49 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.33 3if8 h LEU 393 Cb 1.24 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 41.04 3if8 h LEU 393 CO 0.61 0.44 0.13 0.25 -0.62 0.00 0.00 178.44 179.25 3if8 h LEU 394 N 0.94 0.30 -0.31 2.25 5.85 -1.92 -0.63 115.31 121.79 3if8 h LEU 394 Ca 0.52 -0.10 0.01 0.00 0.84 0.00 0.00 57.88 59.15 3if8 h LEU 394 Cb 0.58 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3if8 h LEU 394 CO -0.29 0.31 0.18 0.77 -0.34 0.00 0.00 178.44 179.07 3if8 h SER 395 N 0.27 0.29 -0.23 1.25 4.64 -1.84 -0.37 113.55 117.56 3if8 h SER 395 Ca 0.08 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.46 3if8 h SER 395 Cb 0.08 -0.06 -0.07 0.00 -0.31 0.00 0.00 62.40 62.04 3if8 h SER 395 CO -0.01 0.21 -0.38 0.50 -0.87 0.00 0.00 176.83 176.27 3if8 h LYS 396 N 0.37 -0.39 0.00 4.77 3.64 -1.30 -0.16 116.57 123.50 3if8 h LYS 396 Ca 0.12 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3if8 h LYS 396 Cb 0.00 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3if8 h LYS 396 CO -0.06 -0.26 0.00 -0.07 -2.27 0.00 0.00 179.45 176.79 3if8 h LEU 397 N -0.40 0.00 0.07 5.20 3.38 -0.50 -1.91 115.31 121.15 3if8 h LEU 397 Ca 0.11 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 3if8 h LEU 397 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 3if8 h LEU 397 CO -0.44 0.00 -0.91 0.40 0.09 0.00 0.00 178.44 177.57 3if8 h ILE 398 N 0.00 1.29 -0.46 1.22 2.04 0.58 -3.04 117.51 119.13 3if8 h ILE 398 Ca 0.00 -2.37 0.09 0.00 1.00 0.00 0.00 64.86 63.57 3if8 h ILE 398 Cb 0.06 2.89 -0.07 0.00 -0.74 0.00 0.00 36.82 38.95 3if8 h ILE 398 CO 0.00 0.61 0.02 0.45 0.00 0.00 0.00 178.15 179.23 3if8 h HIS 399 N -0.63 0.01 -0.01 1.37 -0.00 -0.69 -0.22 115.15 114.99 3if8 h HIS 399 Ca -0.21 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.20 3if8 h HIS 399 Cb 1.46 0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 28.94 3if8 h HIS 399 CO 0.17 -0.08 0.01 1.96 -0.00 0.00 0.00 177.93 179.99 3if8 h GLN 400 N 0.13 0.00 0.13 2.45 4.20 -1.49 -0.54 115.11 119.99 3if8 h GLN 400 Ca 0.23 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.64 3if8 h GLN 400 Cb 0.34 0.00 0.03 0.00 0.30 0.00 0.00 27.48 28.14 3if8 h GLN 400 CO -0.37 0.00 -1.26 1.03 -0.67 0.00 0.00 178.83 177.56 3if8 h SER 401 N 0.00 0.83 0.07 1.46 0.87 -0.97 -0.44 113.55 115.37 3if8 h SER 401 Ca 0.01 -0.78 -0.00 0.00 -1.23 0.00 0.00 61.79 59.78 3if8 h SER 401 Cb 0.03 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.73 3if8 h SER 401 CO -0.00 1.59 -0.03 1.88 -0.53 0.00 0.00 176.83 179.74 3if8 h TYR 402 N 0.25 -0.08 -2.01 2.24 -1.99 -0.53 -3.39 116.97 111.44 3if8 h TYR 402 Ca -0.19 -0.00 -0.76 0.00 2.00 0.00 0.00 58.73 59.78 3if8 h TYR 402 Cb 1.94 0.03 -0.18 0.00 2.00 0.00 0.00 36.73 40.51 3if8 h TYR 402 CO 0.11 -0.05 1.52 -2.39 -0.00 0.00 0.00 178.16 177.35 3if8 n HIS 403 N -2.95 3.88 0.00 4.88 -0.00 -0.28 -4.92 115.22 115.83 3if8 n HIS 403 Ca -0.01 -3.09 0.00 0.00 -0.00 0.00 0.00 57.72 54.62 3if8 n HIS 403 Cb 0.04 -1.96 0.00 0.00 -0.00 0.00 0.00 29.99 28.06 3if8 n HIS 403 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3if8 n GLY 404 N 3.16 0.12 3.09 -1.39 0.00 -1.25 -4.65 105.19 104.28 3if8 n GLY 404 Ca 0.36 -1.67 -0.09 0.00 0.00 0.00 0.00 46.02 44.62 3if8 n GLY 404 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3if8 s THR 405 N -0.74 0.15 0.42 2.61 -4.23 -0.17 -4.62 115.64 109.06 3if8 s THR 405 Ca 0.00 -1.25 -0.02 0.00 -1.18 0.00 0.00 61.69 59.23 3if8 s THR 405 Cb 0.00 -0.99 -0.03 0.00 1.34 0.00 0.00 72.50 72.82 3if8 s THR 405 CO 0.00 -0.69 0.68 -0.04 -0.54 0.00 0.00 174.62 174.02 3if8 s MET 406 N -2.85 3.44 0.60 3.99 1.00 -1.23 -4.75 119.30 119.51 3if8 s MET 406 Ca -0.03 -0.11 -0.18 0.00 0.00 0.00 0.00 55.69 55.38 3if8 s MET 406 Cb 0.00 -2.51 -0.03 0.00 0.00 0.00 0.00 34.83 32.29 3if8 s MET 406 CO -0.06 -0.08 1.15 -0.51 0.00 0.00 0.00 175.02 175.52 3if8 s ASP 407 N -4.10 5.31 -0.87 3.03 1.01 -1.26 -4.98 116.67 114.82 3if8 s ASP 407 Ca 0.44 2.19 -0.24 0.00 0.71 0.00 0.00 52.55 55.65 3if8 s ASP 407 Cb -0.10 -2.58 0.05 0.00 1.01 0.00 0.00 42.92 41.31 3if8 s ASP 407 CO 0.40 -1.50 1.31 -0.89 0.21 0.00 0.00 175.17 174.70 3if8 s THR 408 N -1.91 3.96 0.05 -1.27 2.01 -1.26 -4.89 115.64 112.33 3if8 s THR 408 Ca 0.72 -0.34 -0.29 0.00 0.31 0.00 0.00 61.69 62.09 3if8 s THR 408 Cb -0.25 -4.94 -0.17 0.00 0.01 0.00 0.00 72.50 67.15 3if8 s THR 408 CO 0.34 -1.82 1.52 0.58 -0.69 0.00 0.00 174.62 174.55 3if8 h VAL 409 N 6.33 0.54 -4.73 3.82 2.07 -2.04 -3.49 116.25 118.75 3if8 h VAL 409 Ca -0.04 -0.17 0.01 0.00 0.82 0.00 0.00 66.70 67.31 3if8 h VAL 409 Cb 1.03 0.62 -0.09 0.00 -1.52 0.00 0.00 31.29 31.34 3if8 h VAL 409 CO 1.32 0.03 -1.31 -0.24 0.02 0.00 0.00 177.57 177.39 3if8 n SER 410 N -5.31 -3.16 -3.47 0.57 2.88 -1.26 -4.86 113.62 99.01 3if8 n SER 410 Ca -0.11 1.40 -0.40 0.00 -1.33 0.00 0.00 58.87 58.43 3if8 n SER 410 Cb 0.28 -4.94 -0.01 0.00 -0.75 0.00 0.00 64.21 58.79 3if8 n SER 410 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3if8 n LEU 411 N 1.62 8.10 -4.79 2.46 4.77 -1.26 -4.93 117.00 122.98 3if8 n LEU 411 Ca -0.27 -4.74 -0.26 0.00 -0.03 0.00 0.00 56.01 50.71 3if8 n LEU 411 Cb 0.42 -1.42 -0.06 0.00 -2.33 0.00 0.00 43.42 40.03 3if8 n LEU 411 CO 0.25 2.00 -0.11 -0.94 -1.33 0.00 0.00 177.39 177.26 3if8 s SER 412 N 0.88 4.45 0.92 -1.43 1.04 -1.26 -4.75 113.70 113.54 3if8 s SER 412 Ca 0.57 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.79 3if8 s SER 412 Cb 0.18 -0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.20 3if8 s SER 412 CO -0.08 -0.74 0.00 0.61 0.98 0.00 0.00 173.24 174.01 3if8 n GLY 413 N -1.39 2.89 1.05 7.32 0.00 -1.26 -2.50 105.19 111.29 3if8 n GLY 413 Ca -0.04 -0.11 0.12 0.00 0.00 0.00 0.00 46.02 45.99 3if8 n GLY 413 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3if8 n THR 414 N 0.00 0.30 -0.30 2.61 -2.24 -1.26 -4.46 114.28 108.93 3if8 n THR 414 Ca 0.00 -0.63 0.07 0.00 -2.27 0.00 0.00 64.05 61.22 3if8 n THR 414 Cb 0.00 1.12 0.22 0.00 -2.10 0.00 0.00 70.33 69.58 3if8 n THR 414 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 3if8 h ILE 415 N 4.42 0.74 -0.07 2.28 2.04 -1.85 -0.23 117.51 124.85 3if8 h ILE 415 Ca 0.00 -0.22 -0.09 0.00 1.00 0.00 0.00 64.86 65.55 3if8 h ILE 415 Cb 0.96 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3if8 h ILE 415 CO 0.00 0.12 -0.36 -0.65 0.00 0.00 0.00 178.15 177.26 3if8 h PRO 416 N 0.65 0.13 0.32 2.37 0.11 -1.78 0.17 132.00 133.97 3if8 h PRO 416 Ca 0.46 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.51 3if8 h PRO 416 Cb 0.64 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.75 3if8 h PRO 416 CO -0.35 0.48 -0.16 0.28 -0.21 0.00 0.00 178.00 178.04 3if8 h VAL 417 N 0.11 0.00 -0.52 3.15 2.07 -1.65 -2.86 116.25 116.56 3if8 h VAL 417 Ca 0.01 -0.21 0.07 0.00 0.82 0.00 0.00 66.70 67.39 3if8 h VAL 417 Cb 0.69 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.39 3if8 h VAL 417 CO 0.05 0.00 -0.25 1.67 0.02 0.00 0.00 177.57 179.06 3if8 n GLN 418 N -3.76 -0.17 -0.10 1.57 7.27 -0.18 -0.93 117.38 121.08 3if8 n GLN 418 Ca -0.05 0.79 -0.06 0.00 0.07 0.00 0.00 57.00 57.75 3if8 n GLN 418 Cb 0.17 -1.17 0.01 0.00 2.41 0.00 0.00 30.24 31.67 3if8 n GLN 418 CO 0.00 0.00 0.00 0.52 0.07 0.00 0.00 177.06 177.65 3if8 h MET 419 N 0.00 0.08 -0.36 3.69 2.86 -0.67 0.33 114.93 120.86 3if8 h MET 419 Ca 0.14 -0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.67 3if8 h MET 419 Cb 0.27 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3if8 h MET 419 CO -0.50 0.05 -0.19 1.25 1.06 0.00 0.00 176.91 178.58 3if8 h LEU 420 N 0.08 0.67 -0.77 1.22 5.85 -0.79 -2.83 115.31 118.74 3if8 h LEU 420 Ca 0.17 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 3if8 h LEU 420 Cb 0.24 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.05 3if8 h LEU 420 CO -0.30 0.86 0.48 0.25 -0.34 0.00 0.00 178.44 179.39 3if8 h LEU 421 N 0.60 0.91 0.50 2.25 6.46 -0.10 -0.58 115.31 125.35 3if8 h LEU 421 Ca 0.09 -0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.78 3if8 h LEU 421 Cb 0.65 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 40.35 3if8 h LEU 421 CO 0.05 0.69 -0.24 -0.33 -0.62 0.00 0.00 178.44 177.99 3if8 h GLU 422 N 1.05 -0.64 -0.86 1.25 5.08 -0.86 -0.86 114.58 118.73 3if8 h GLU 422 Ca 0.28 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.85 3if8 h GLU 422 Cb -0.06 0.15 -0.10 0.00 0.50 0.00 0.00 28.75 29.23 3if8 h GLU 422 CO -0.05 -0.40 0.43 0.82 -1.00 0.00 0.00 179.01 178.80 3if8 h ILE 423 N -0.72 0.67 -0.51 3.13 5.03 -1.39 -1.45 117.51 122.27 3if8 h ILE 423 Ca -0.07 -0.20 -0.05 0.00 -0.12 0.00 0.00 64.86 64.42 3if8 h ILE 423 Cb 0.54 0.05 -0.02 0.00 -3.03 0.00 0.00 36.82 34.35 3if8 h ILE 423 CO 0.11 0.10 0.12 1.23 -0.68 0.00 0.00 178.15 179.04 3if8 h GLY 424 N 0.57 0.89 0.92 5.37 0.00 -0.95 -2.63 103.07 107.24 3if8 h GLY 424 Ca 0.49 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 3if8 h GLY 424 CO -0.40 0.52 0.07 1.41 0.00 0.00 0.00 176.54 178.14 3if8 h LEU 425 N 0.72 0.17 0.04 3.11 3.38 -0.25 0.01 115.31 122.49 3if8 h LEU 425 Ca 0.16 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.05 3if8 h LEU 425 Cb 0.34 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3if8 h LEU 425 CO 0.00 0.22 -0.17 0.44 0.09 0.00 0.00 178.44 179.02 3if8 h ASP 426 N 0.10 -0.49 -0.70 -0.43 3.32 -1.35 0.17 116.42 117.04 3if8 h ASP 426 Ca 0.04 0.07 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 3if8 h ASP 426 Cb 0.10 0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 3if8 h ASP 426 CO -0.01 -0.24 0.18 0.50 -1.72 0.00 0.00 179.24 177.96 3if8 h LYS 427 N -0.31 1.11 -0.13 3.56 1.63 -1.37 -0.76 116.57 120.30 3if8 h LYS 427 Ca 0.04 -0.26 -0.21 0.00 -0.85 0.00 0.00 60.65 59.37 3if8 h LYS 427 Cb 0.35 -0.15 0.01 0.00 -0.60 0.00 0.00 32.23 31.84 3if8 h LYS 427 CO -0.13 0.97 -0.77 -0.07 -3.45 0.00 0.00 179.45 176.00 3if8 h LEU 428 N 1.05 0.83 -0.74 5.20 3.38 -0.76 -1.81 115.31 122.46 3if8 h LEU 428 Ca 0.22 -0.55 0.03 0.00 0.09 0.00 0.00 57.88 57.68 3if8 h LEU 428 Cb 0.35 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3if8 h LEU 428 CO -0.00 1.33 0.47 0.11 0.09 0.00 0.00 178.44 180.44 3if8 h LYS 429 N 0.48 0.88 -0.14 1.13 1.57 -0.41 -1.82 116.57 118.25 3if8 h LYS 429 Ca -0.05 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 3if8 h LYS 429 Cb 1.39 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 3if8 h LYS 429 CO 0.15 0.58 -0.29 0.87 -0.57 0.00 0.00 179.45 180.19 3if8 h LYS 430 N 0.90 0.27 -0.17 3.15 1.57 -1.02 -0.35 116.57 120.93 3if8 h LYS 430 Ca 0.30 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 3if8 h LYS 430 Cb 0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3if8 h LYS 430 CO -0.12 0.54 0.11 -0.44 -0.57 0.00 0.00 179.45 178.97 3if8 h ASP 431 N 0.24 0.18 -0.26 0.86 3.32 -0.54 -2.08 116.42 118.13 3if8 h ASP 431 Ca 0.03 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 3if8 h ASP 431 Cb 0.65 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.15 3if8 h ASP 431 CO 0.05 0.13 -0.02 1.88 -1.72 0.00 0.00 179.24 179.56 3if8 h TYR 432 N 0.22 0.52 -0.40 4.55 0.05 -0.86 -1.50 116.97 119.56 3if8 h TYR 432 Ca 0.07 -0.10 0.08 0.00 0.05 0.00 0.00 58.73 58.83 3if8 h TYR 432 Cb -0.01 -0.13 -0.08 0.00 1.01 0.00 0.00 36.73 37.51 3if8 h TYR 432 CO -0.07 0.65 -0.14 0.82 -1.05 0.00 0.00 178.16 178.36 3if8 h ILE 433 N 0.25 0.52 -0.10 -2.88 2.04 -1.10 -0.55 117.51 115.70 3if8 h ILE 433 Ca 0.07 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.84 3if8 h ILE 433 Cb 0.45 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3if8 h ILE 433 CO 0.02 0.00 -0.37 0.77 0.00 0.00 0.00 178.15 178.57 3if8 h SER 434 N -0.05 0.20 0.49 1.72 4.64 -1.14 0.17 113.55 119.58 3if8 h SER 434 Ca 0.20 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 3if8 h SER 434 Cb 0.35 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 3if8 h SER 434 CO -0.44 0.56 -0.24 0.15 -0.87 0.00 0.00 176.83 176.00 3if8 h PHE 435 N 0.17 -0.61 -0.20 4.77 3.57 -0.64 -2.07 116.94 121.93 3if8 h PHE 435 Ca 0.02 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 3if8 h PHE 435 Cb 0.74 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.68 3if8 h PHE 435 CO 0.01 -0.31 -0.16 0.74 -2.23 0.00 0.00 178.31 176.37 3if8 h PHE 436 N -0.83 0.53 0.35 0.41 0.04 -0.72 -0.74 116.94 115.98 3if8 h PHE 436 Ca -0.07 -0.15 -0.02 0.00 2.80 0.00 0.00 57.97 60.53 3if8 h PHE 436 Cb 0.58 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.62 3if8 h PHE 436 CO -0.01 0.79 -0.17 0.82 -0.60 0.00 0.00 178.31 179.14 3if8 h ILE 437 N 0.13 0.67 -0.61 -0.55 5.03 -0.77 0.06 117.51 121.47 3if8 h ILE 437 Ca 0.04 -0.09 0.08 0.00 -0.12 0.00 0.00 64.86 64.77 3if8 h ILE 437 Cb 0.68 0.71 -0.04 0.00 -3.03 0.00 0.00 36.82 35.15 3if8 h ILE 437 CO 0.04 0.02 0.41 1.23 -0.68 0.00 0.00 178.15 179.17 3if8 h GLY 438 N -0.52 0.68 0.16 5.37 0.00 -1.30 0.17 103.07 107.63 3if8 h GLY 438 Ca -0.05 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3if8 h GLY 438 CO 0.08 0.14 -0.17 -1.06 0.00 0.00 0.00 176.54 175.53 3if8 n GLN 439 N -4.48 1.03 -3.27 4.80 1.13 -0.29 -4.94 117.38 111.36 3if8 n GLN 439 Ca 0.09 -0.57 -0.17 0.00 -1.94 0.00 0.00 57.00 54.42 3if8 n GLN 439 Cb 0.31 -1.49 0.07 0.00 0.11 0.00 0.00 30.24 29.24 3if8 n GLN 439 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3if8 n GLU 440 N -0.49 -5.91 -0.04 -1.09 1.02 0.58 -4.92 120.64 109.80 3if8 n GLU 440 Ca 0.14 0.68 0.04 0.00 -0.02 0.00 0.00 57.16 58.00 3if8 n GLU 440 Cb 0.34 -5.23 -0.15 0.00 -0.02 0.00 0.00 31.44 26.37 3if8 n GLU 440 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3if8 n LEU 441 N -3.84 0.00 -3.49 -4.62 4.77 -0.04 -4.85 117.00 104.93 3if8 n LEU 441 Ca -0.12 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.75 3if8 n LEU 441 Cb 0.59 0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.81 3if8 n LEU 441 CO 0.51 0.15 0.42 0.00 -1.33 0.00 0.00 177.39 177.13 3if8 s ALA 442 N -3.08 -1.54 0.23 -1.18 0.00 -1.14 -4.55 121.76 110.50 3if8 s ALA 442 Ca -0.08 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.28 3if8 s ALA 442 Cb 0.10 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 24.06 3if8 s ALA 442 CO 0.80 -0.81 0.38 -1.54 0.00 0.00 0.00 175.76 174.59 3if8 s SER 443 N -2.77 6.33 0.29 0.00 1.04 -1.26 -3.77 113.70 113.57 3if8 s SER 443 Ca 0.03 0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.72 3if8 s SER 443 Cb -0.02 -1.93 0.75 0.00 0.10 0.00 0.00 66.02 64.92 3if8 s SER 443 CO -0.10 -0.07 1.66 0.25 0.98 0.00 0.00 173.24 175.95 3if8 h LEU 444 N 1.49 0.10 0.28 2.42 6.46 -1.98 -2.01 115.31 122.08 3if8 h LEU 444 Ca -0.50 0.19 -0.00 0.00 -0.12 0.00 0.00 57.88 57.45 3if8 h LEU 444 Cb 1.21 0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 41.36 3if8 h LEU 444 CO 0.64 -0.13 -0.21 -1.13 -0.62 0.00 0.00 178.44 176.99 3if8 h ASN 445 N 0.25 -0.53 -0.96 1.25 -1.24 -2.01 -1.72 115.58 110.61 3if8 h ASN 445 Ca 0.57 0.04 0.30 0.00 0.71 0.00 0.00 56.30 57.93 3if8 h ASN 445 Cb 1.17 0.17 -0.17 0.00 0.73 0.00 0.00 38.32 40.22 3if8 h ASN 445 CO -0.63 -0.32 0.27 0.45 -1.29 0.00 0.00 177.43 175.91 3if8 h HIS 446 N -0.49 0.38 -0.00 0.67 3.86 -1.77 -2.45 115.15 115.35 3if8 h HIS 446 Ca -0.02 0.05 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3if8 h HIS 446 Cb 0.42 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.89 3if8 h HIS 446 CO -0.12 -0.36 -0.12 1.28 0.86 0.00 0.00 177.93 179.48 3if8 n LEU 447 N -5.32 0.23 -0.30 2.43 4.77 -0.66 -4.50 117.00 113.65 3if8 n LEU 447 Ca 0.27 0.22 0.15 0.00 -0.03 0.00 0.00 56.01 56.62 3if8 n LEU 447 Cb 0.90 -0.32 0.31 0.00 -2.33 0.00 0.00 43.42 41.98 3if8 n LEU 447 CO 0.00 0.05 0.94 -0.33 -1.33 0.00 0.00 177.39 176.72 3if8 h GLU 448 N 0.18 0.18 -0.90 3.23 4.39 -1.25 0.17 114.58 120.58 3if8 h GLU 448 Ca 0.00 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.78 3if8 h GLU 448 Cb 0.42 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.95 3if8 h GLU 448 CO 0.00 0.12 0.54 -0.92 -1.16 0.00 0.00 179.01 177.59 3if8 h TYR 449 N 0.19 0.99 0.00 4.33 3.20 -1.84 -1.23 116.97 122.61 3if8 h TYR 449 Ca 0.58 0.03 -0.05 0.00 3.14 0.00 0.00 58.73 62.43 3if8 h TYR 449 Cb 1.20 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.15 3if8 h TYR 449 CO -0.26 0.43 -0.25 0.74 -1.64 0.00 0.00 178.16 177.17 3if8 h PHE 450 N 0.91 0.00 0.00 -3.82 -1.00 -0.99 -3.25 116.94 108.79 3if8 h PHE 450 Ca 0.42 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.18 3if8 h PHE 450 Cb 0.35 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.90 3if8 h PHE 450 CO -0.04 0.25 -1.21 -0.89 -1.61 0.00 0.00 178.31 174.82 3if8 n ILE 451 N -3.23 0.60 -1.60 -0.55 2.08 -0.84 -4.49 119.36 111.33 3if8 n ILE 451 Ca 0.02 -0.56 -0.63 0.00 0.56 0.00 0.00 62.75 62.14 3if8 n ILE 451 Cb 0.56 -0.33 -0.09 0.00 -0.75 0.00 0.00 39.64 39.02 3if8 n ILE 451 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3if8 n ALA 452 N -2.22 -2.57 0.08 -1.39 0.00 -0.52 -4.93 120.51 108.95 3if8 n ALA 452 Ca -0.02 0.55 -0.10 0.00 0.00 0.00 0.00 53.44 53.87 3if8 n ALA 452 Cb 0.59 -1.81 -0.11 0.00 0.00 0.00 0.00 19.45 18.12 3if8 n ALA 452 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3if8 h PRO 453 N 3.88 0.12 -0.53 0.00 0.11 -1.95 -3.39 132.00 130.24 3if8 h PRO 453 Ca -0.47 -0.18 -0.07 0.00 0.11 0.00 0.00 66.00 65.39 3if8 h PRO 453 Cb 1.39 0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.54 3if8 h PRO 453 CO 0.79 1.06 0.08 0.66 -0.21 0.00 0.00 178.00 180.38 3if8 h SER 454 N 0.04 0.86 -4.23 -2.05 4.64 -2.01 -3.45 113.55 107.35 3if8 h SER 454 Ca -0.06 -0.27 -0.53 0.00 -0.47 0.00 0.00 61.79 60.47 3if8 h SER 454 Cb 1.79 -0.23 0.18 0.00 -0.31 0.00 0.00 62.40 63.83 3if8 h SER 454 CO 0.15 0.90 0.31 0.68 -0.87 0.00 0.00 176.83 178.01 3if8 s VAL 455 N -5.18 2.18 0.81 0.95 -7.23 -1.26 -4.98 120.40 105.68 3if8 s VAL 455 Ca -0.12 0.07 -0.11 0.00 -1.81 0.00 0.00 61.98 60.01 3if8 s VAL 455 Cb 0.12 -2.39 0.08 0.00 0.56 0.00 0.00 36.38 34.75 3if8 s VAL 455 CO 0.82 -0.06 1.11 1.51 -0.31 0.00 0.00 175.10 178.16 3if8 s ASP 456 N -2.37 4.07 0.37 4.85 1.47 -1.26 -4.67 116.67 119.13 3if8 s ASP 456 Ca 0.71 1.96 0.06 0.00 1.18 0.00 0.00 52.55 56.46 3if8 s ASP 456 Cb -0.26 -2.54 0.76 0.00 -0.34 0.00 0.00 42.92 40.54 3if8 s ASP 456 CO 0.52 -2.33 1.96 -0.29 0.68 0.00 0.00 175.17 175.71 3if8 h ILE 457 N -1.25 1.02 -0.06 2.11 2.10 -1.95 -0.26 117.51 119.22 3if8 h ILE 457 Ca -0.44 -0.25 -0.14 0.00 1.08 0.00 0.00 64.86 65.11 3if8 h ILE 457 Cb 1.24 0.22 -0.01 0.00 -1.09 0.00 0.00 36.82 37.18 3if8 h ILE 457 CO 0.49 0.13 -0.59 1.56 -1.08 0.00 0.00 178.15 178.66 3if8 h GLN 458 N 0.73 0.20 -0.29 2.19 1.08 -1.99 -1.66 115.11 115.36 3if8 h GLN 458 Ca 0.31 -0.13 -0.14 0.00 -1.45 0.00 0.00 58.65 57.24 3if8 h GLN 458 Cb 0.26 0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.71 3if8 h GLN 458 CO -0.10 0.73 -0.35 1.49 -0.95 0.00 0.00 178.83 179.65 3if8 h GLU 459 N 0.15 0.75 -0.50 1.46 4.57 -1.58 -1.03 114.58 118.39 3if8 h GLU 459 Ca -0.00 -0.42 0.05 0.00 -1.18 0.00 0.00 59.36 57.81 3if8 h GLU 459 Cb 1.08 0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.65 3if8 h GLU 459 CO 0.09 1.05 0.24 1.96 -1.18 0.00 0.00 179.01 181.16 3if8 h GLN 460 N 0.50 0.45 0.12 1.92 4.20 -0.96 -1.04 115.11 120.30 3if8 h GLN 460 Ca 0.04 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 3if8 h GLN 460 Cb 0.94 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.61 3if8 h GLN 460 CO 0.08 0.30 -0.08 0.28 -0.67 0.00 0.00 178.83 178.74 3if8 h VAL 461 N 0.46 0.82 -0.94 -0.54 2.07 -1.23 -1.43 116.25 115.46 3if8 h VAL 461 Ca 0.23 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.92 3if8 h VAL 461 Cb 0.16 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 30.67 3if8 h VAL 461 CO -0.18 0.00 0.60 0.22 0.02 0.00 0.00 177.57 178.23 3if8 h TYR 462 N -0.20 0.84 -0.01 1.57 3.20 -0.88 -0.93 116.97 120.56 3if8 h TYR 462 Ca -0.01 0.03 -0.19 0.00 3.14 0.00 0.00 58.73 61.70 3if8 h TYR 462 Cb 0.18 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3if8 h TYR 462 CO -0.09 0.25 -0.84 0.00 -1.64 0.00 0.00 178.16 175.84 3if8 h ARG 463 N 0.65 0.25 -0.82 1.82 3.08 -0.65 -2.42 114.38 116.28 3if8 h ARG 463 Ca 0.50 -0.25 0.05 0.00 0.07 0.00 0.00 59.98 60.36 3if8 h ARG 463 Cb 0.90 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.96 3if8 h ARG 463 CO -0.25 0.95 0.50 0.28 -1.07 0.00 0.00 179.97 180.38 3if8 h VAL 464 N 0.15 1.05 -0.13 2.04 2.07 -0.14 -1.28 116.25 120.01 3if8 h VAL 464 Ca -0.04 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.13 3if8 h VAL 464 Cb 1.44 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 3if8 h VAL 464 CO 0.13 0.17 -0.02 1.56 0.02 0.00 0.00 177.57 179.43 3if8 h GLN 465 N 0.93 0.18 -0.19 1.57 4.20 -0.92 0.93 115.11 121.82 3if8 h GLN 465 Ca 0.35 -0.02 -0.05 0.00 0.06 0.00 0.00 58.65 58.98 3if8 h GLN 465 Cb 0.14 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3if8 h GLN 465 CO -0.16 0.23 -0.09 0.87 -0.67 0.00 0.00 178.83 179.01 3if8 h LYS 466 N 0.18 0.39 -0.42 1.46 1.57 -0.96 -0.53 116.57 118.27 3if8 h LYS 466 Ca 0.04 -0.17 0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3if8 h LYS 466 Cb 0.17 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.41 3if8 h LYS 466 CO 0.01 0.69 0.10 -0.07 -0.57 0.00 0.00 179.45 179.60 3if8 h LEU 467 N 0.09 0.04 -0.61 2.94 3.38 -0.57 -0.89 115.31 119.68 3if8 h LEU 467 Ca 0.04 0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.11 3if8 h LEU 467 Cb 0.57 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.36 3if8 h LEU 467 CO 0.03 0.05 0.37 -0.74 0.09 0.00 0.00 178.44 178.24 3if8 h HIS 468 N 0.23 0.70 -0.28 1.13 2.76 -0.72 -2.14 115.15 116.82 3if8 h HIS 468 Ca 0.20 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.36 3if8 h HIS 468 Cb 0.23 -0.23 -0.02 0.00 1.55 0.00 0.00 27.41 28.95 3if8 h HIS 468 CO -0.19 0.40 0.05 1.25 -1.30 0.00 0.00 177.93 178.13 3if8 h HIS 469 N 0.73 0.41 -0.63 5.26 -0.00 -0.41 -0.11 115.15 120.41 3if8 h HIS 469 Ca 0.25 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.59 3if8 h HIS 469 Cb 0.03 -0.13 -0.03 0.00 -0.00 0.00 0.00 27.41 27.28 3if8 h HIS 469 CO -0.05 0.38 0.37 0.82 -0.00 0.00 0.00 177.93 179.44 3if8 h ILE 470 N 0.40 1.19 -0.66 6.26 2.04 -0.71 -2.08 117.51 123.95 3if8 h ILE 470 Ca 0.10 -0.44 -0.06 0.00 1.00 0.00 0.00 64.86 65.46 3if8 h ILE 470 Cb 0.19 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3if8 h ILE 470 CO -0.00 0.20 0.19 0.25 0.00 0.00 0.00 178.15 178.79 3if8 h LEU 471 N 0.85 0.95 -1.09 1.44 5.85 -0.46 -1.83 115.31 121.03 3if8 h LEU 471 Ca 0.22 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 3if8 h LEU 471 Cb -0.00 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.75 3if8 h LEU 471 CO -0.04 0.90 0.28 -0.33 -0.34 0.00 0.00 178.44 178.91 3if8 h GLU 472 N 0.98 0.92 0.12 1.25 5.08 -0.88 0.13 114.58 122.18 3if8 h GLU 472 Ca 0.21 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3if8 h GLU 472 Cb 0.30 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.38 3if8 h GLU 472 CO -0.01 0.73 -0.06 0.82 -1.00 0.00 0.00 179.01 179.50 3if8 h ILE 473 N 0.91 1.04 -0.36 3.13 2.04 -0.96 -0.95 117.51 122.36 3if8 h ILE 473 Ca 0.22 -0.69 0.08 0.00 1.00 0.00 0.00 64.86 65.46 3if8 h ILE 473 Cb 0.14 1.48 -0.08 0.00 -0.74 0.00 0.00 36.82 37.61 3if8 h ILE 473 CO -0.02 0.17 -0.21 -0.07 0.00 0.00 0.00 178.15 178.01 3if8 h LEU 474 N -0.49 -0.70 -0.72 1.44 3.38 -1.09 -1.54 115.31 115.59 3if8 h LEU 474 Ca -0.02 0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.17 3if8 h LEU 474 Cb 0.39 0.36 -0.06 0.00 0.09 0.00 0.00 40.66 41.45 3if8 h LEU 474 CO 0.03 -0.24 0.41 0.58 0.09 0.00 0.00 178.44 179.31 3if8 h VAL 475 N -0.16 0.97 -0.94 1.22 2.07 -0.65 -0.46 116.25 118.31 3if8 h VAL 475 Ca 0.18 -0.25 0.13 0.00 0.82 0.00 0.00 66.70 67.58 3if8 h VAL 475 Cb 0.43 0.16 -0.08 0.00 -1.52 0.00 0.00 31.29 30.28 3if8 h VAL 475 CO -0.45 0.14 0.60 0.28 0.02 0.00 0.00 177.57 178.15 3if8 h SER 476 N 0.74 0.78 0.78 0.57 0.02 -0.17 -2.97 113.55 113.30 3if8 h SER 476 Ca 0.33 0.04 -0.13 0.00 -0.84 0.00 0.00 61.79 61.19 3if8 h SER 476 Cb 0.22 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 3if8 h SER 476 CO -0.19 0.40 -1.30 0.00 -1.14 0.00 0.00 176.83 174.59 3if8 h MET 478 N 0.00 0.13 0.00 0.00 2.86 -0.94 0.37 114.93 117.35 3if8 h MET 478 Ca -0.12 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3if8 h MET 478 Cb 1.44 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 33.08 3if8 h MET 478 CO 0.04 0.09 0.06 -1.35 1.06 0.00 0.00 176.91 176.80 3if8 h PRO 479 N 0.13 0.00 0.00 -0.22 0.11 -1.79 -2.80 132.00 127.43 3if8 h PRO 479 Ca 0.59 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.49 3if8 h PRO 479 Cb 1.26 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.33 3if8 h PRO 479 CO -0.74 0.00 -1.82 1.19 -0.21 0.00 0.00 178.00 176.43 3if8 n PHE 480 N -2.84 0.00 -2.51 0.65 3.72 0.12 -4.47 117.46 112.15 3if8 n PHE 480 Ca -0.02 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.06 3if8 n PHE 480 Cb 0.12 -0.59 -0.00 0.00 -0.94 0.00 0.00 39.48 38.07 3if8 n PHE 480 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3if8 n ILE 481 N -2.45 3.21 -2.15 4.37 -5.35 -0.86 -4.93 119.36 111.20 3if8 n ILE 481 Ca -0.20 -5.10 -0.43 0.00 -0.27 0.00 0.00 62.75 56.76 3if8 n ILE 481 Cb 0.88 -1.33 -0.03 0.00 -1.74 0.00 0.00 39.64 37.43 3if8 n ILE 481 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3if8 s LYS 482 N -3.72 4.18 -1.15 6.28 2.20 -1.07 -2.97 119.74 123.48 3if8 s LYS 482 Ca 0.48 1.99 0.00 0.00 -0.36 0.00 0.00 55.97 58.08 3if8 s LYS 482 Cb 0.35 -3.92 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 3if8 s LYS 482 CO -0.22 -0.82 0.00 0.43 -0.36 0.00 0.00 175.35 174.38 3if8 n SER 483 N 7.02 -4.16 -4.03 1.43 7.64 -1.26 -4.94 113.62 115.31 3if8 n SER 483 Ca 0.16 0.01 -0.33 0.00 1.01 0.00 0.00 58.87 59.72 3if8 n SER 483 Cb 0.44 -3.31 -0.09 0.00 -1.01 0.00 0.00 64.21 60.23 3if8 n SER 483 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3if8 s GLN 484 N -4.56 2.78 0.40 1.43 -1.52 -1.16 -4.94 119.66 112.10 3if8 s GLN 484 Ca 0.00 -3.11 0.08 0.00 -1.95 0.00 0.00 55.36 50.37 3if8 s GLN 484 Cb 0.00 -3.70 0.82 0.00 -0.22 0.00 0.00 33.01 29.91 3if8 s GLN 484 CO 0.00 -1.24 2.00 1.25 -0.25 0.00 0.00 175.29 177.04 3if8 h HIS 485 N 6.05 0.43 -0.17 0.91 -0.00 -1.92 -0.37 115.15 120.09 3if8 h HIS 485 Ca 0.10 -0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.29 3if8 h HIS 485 Cb 0.83 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 28.09 3if8 h HIS 485 CO 0.69 0.36 -0.58 0.93 -0.00 0.00 0.00 177.93 179.33 3if8 h GLU 486 N 0.44 0.53 -0.16 5.26 3.07 -1.98 0.40 114.58 122.14 3if8 h GLU 486 Ca 0.11 -0.35 -0.02 0.00 -0.50 0.00 0.00 59.36 58.60 3if8 h GLU 486 Cb 0.12 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.07 3if8 h GLU 486 CO -0.01 0.96 0.04 -0.07 -1.40 0.00 0.00 179.01 178.53 3if8 h LEU 487 N 0.40 0.25 -0.71 1.33 3.38 -1.71 0.16 115.31 118.41 3if8 h LEU 487 Ca 0.00 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.81 3if8 h LEU 487 Cb 1.13 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.76 3if8 h LEU 487 CO 0.11 0.41 0.40 -0.07 0.09 0.00 0.00 178.44 179.37 3if8 h LEU 488 N 0.07 0.58 0.15 1.67 3.38 -0.99 -1.55 115.31 118.64 3if8 h LEU 488 Ca 0.05 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3if8 h LEU 488 Cb 0.26 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3if8 h LEU 488 CO 0.00 0.37 -0.07 0.15 0.09 0.00 0.00 178.44 178.97 3if8 h PHE 489 N 0.72 -0.19 -0.31 1.13 3.57 0.12 -2.06 116.94 119.92 3if8 h PHE 489 Ca 0.32 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.80 3if8 h PHE 489 Cb 0.22 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 3if8 h PHE 489 CO -0.07 -0.01 0.13 0.77 -2.23 0.00 0.00 178.31 176.89 3if8 h SER 490 N -0.34 0.42 -0.31 0.41 0.02 -0.54 -0.68 113.55 112.53 3if8 h SER 490 Ca -0.02 -0.16 0.07 0.00 -0.84 0.00 0.00 61.79 60.84 3if8 h SER 490 Cb 0.27 -0.11 -0.07 0.00 0.14 0.00 0.00 62.40 62.63 3if8 h SER 490 CO 0.03 0.46 -0.16 0.25 -1.14 0.00 0.00 176.83 176.28 3if8 h LEU 491 N 0.35 -0.53 -0.56 5.07 5.85 -1.30 0.41 115.31 124.61 3if8 h LEU 491 Ca 0.10 0.12 0.07 0.00 0.84 0.00 0.00 57.88 59.02 3if8 h LEU 491 Cb 0.17 0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.42 3if8 h LEU 491 CO -0.01 -0.19 0.22 0.74 -0.34 0.00 0.00 178.44 178.86 3if8 h THR 492 N -0.11 0.84 0.00 1.05 2.02 -1.05 -0.41 112.91 115.25 3if8 h THR 492 Ca 0.16 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 3if8 h THR 492 Cb 0.36 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3if8 h THR 492 CO -0.38 0.08 -0.00 1.56 0.37 0.00 0.00 175.52 177.15 3if8 h GLN 493 N 0.42 -0.00 -0.18 6.66 1.08 0.44 -0.61 115.11 122.92 3if8 h GLN 493 Ca 0.27 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.41 3if8 h GLN 493 Cb 0.28 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 3if8 h GLN 493 CO -0.25 0.02 -0.16 -0.84 -0.95 0.00 0.00 178.83 176.64 3if8 h ILE 494 N -0.02 1.21 -0.26 2.54 3.07 0.03 -0.99 117.51 123.09 3if8 h ILE 494 Ca -0.00 -0.94 -0.02 0.00 1.55 0.00 0.00 64.86 65.45 3if8 h ILE 494 Cb 0.02 1.25 -0.01 0.00 -0.27 0.00 0.00 36.82 37.81 3if8 h ILE 494 CO 0.00 0.29 0.08 0.00 -1.05 0.00 0.00 178.15 177.47 3if8 h ILE 496 N 0.25 1.04 -0.20 0.00 2.04 -0.69 -0.57 117.51 119.38 3if8 h ILE 496 Ca 0.08 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.76 3if8 h ILE 496 Cb 0.25 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3if8 h ILE 496 CO -0.00 0.10 0.11 0.50 0.00 0.00 0.00 178.15 178.86 3if8 h LYS 497 N 0.56 0.23 -0.35 2.37 3.64 -1.11 -2.30 116.57 119.61 3if8 h LYS 497 Ca 0.19 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3if8 h LYS 497 Cb 0.03 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 3if8 h LYS 497 CO -0.09 0.15 0.23 -0.92 -2.27 0.00 0.00 179.45 176.54 3if8 h TYR 498 N 0.23 0.43 -0.00 1.91 3.20 -0.73 -3.25 116.97 118.76 3if8 h TYR 498 Ca 0.08 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.96 3if8 h TYR 498 Cb -0.00 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.12 3if8 h TYR 498 CO -0.08 0.27 -0.10 0.66 -1.64 0.00 0.00 178.16 177.27 3if8 n TYR 499 N -4.85 0.00 0.11 -3.82 4.01 -0.25 -1.64 117.16 110.71 3if8 n TYR 499 Ca -0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 3if8 n TYR 499 Cb 0.03 -0.42 0.11 0.00 -0.31 0.00 0.00 39.34 38.74 3if8 n TYR 499 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3if8 h LYS 500 N 0.03 0.08 0.00 -0.72 1.57 -1.45 -3.34 116.57 112.73 3if8 h LYS 500 Ca 0.00 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3if8 h LYS 500 Cb 0.48 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3if8 h LYS 500 CO 0.00 0.73 -1.77 1.04 -0.57 0.00 0.00 179.45 178.88 3if8 n GLN 501 N -3.76 0.53 -4.21 3.15 3.00 -0.98 -5.02 117.38 110.09 3if8 n GLN 501 Ca -0.02 -0.16 -0.19 0.00 -0.01 0.00 0.00 57.00 56.63 3if8 n GLN 501 Cb 0.67 -1.51 -0.12 0.00 0.00 0.00 0.00 30.24 29.29 3if8 n GLN 501 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 3if8 s ASN 502 N -4.16 1.92 0.77 1.08 -0.87 -0.65 -5.14 114.94 107.89 3if8 s ASN 502 Ca -0.05 -0.69 -0.11 0.00 -1.57 0.00 0.00 52.86 50.45 3if8 s ASN 502 Cb 0.14 -0.07 0.05 0.00 -0.02 0.00 0.00 41.25 41.35 3if8 s ASN 502 CO 0.89 -0.07 1.08 -2.16 -2.57 0.00 0.00 177.10 174.27 3if8 s PRO 503 N -2.04 2.32 0.37 -0.60 0.04 -1.26 -4.68 135.00 129.15 3if8 s PRO 503 Ca 0.03 0.95 0.14 0.00 0.04 0.00 0.00 61.00 62.16 3if8 s PRO 503 Cb -0.08 -1.92 0.72 0.00 0.04 0.00 0.00 34.50 33.25 3if8 s PRO 503 CO 0.03 -1.53 1.81 1.25 0.04 0.00 0.00 177.00 178.59 3if8 h LEU 504 N -1.04 0.00 -0.13 -3.56 5.85 -1.97 -3.31 115.31 111.16 3if8 h LEU 504 Ca -0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3if8 h LEU 504 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 3if8 h LEU 504 CO 0.55 0.39 -0.15 -0.90 -0.34 0.00 0.00 178.44 177.99 3if8 n ASP 505 N -3.96 0.35 -4.74 1.25 3.85 -1.26 -4.92 116.55 107.12 3if8 n ASP 505 Ca -0.02 -0.25 -0.41 0.00 -0.71 0.00 0.00 54.79 53.41 3if8 n ASP 505 Cb 0.43 -0.12 -0.04 0.00 -1.35 0.00 0.00 41.12 40.05 3if8 n ASP 505 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 3if8 s GLU 506 N -2.70 4.52 0.05 0.11 2.02 -1.25 -4.99 118.70 116.46 3if8 s GLU 506 Ca 0.22 1.86 -0.31 0.00 0.02 0.00 0.00 54.97 56.76 3if8 s GLU 506 Cb 0.19 -3.23 -0.07 0.00 0.10 0.00 0.00 34.13 31.12 3if8 s GLU 506 CO 0.53 -0.04 1.54 1.14 0.02 0.00 0.00 175.26 178.46 3if8 s GLN 507 N -0.45 4.24 -0.17 1.61 1.03 -1.26 -5.00 119.66 119.65 3if8 s GLN 507 Ca 0.51 2.19 -0.15 0.00 0.04 0.00 0.00 55.36 57.95 3if8 s GLN 507 Cb -0.32 -3.54 0.05 0.00 0.03 0.00 0.00 33.01 29.23 3if8 s GLN 507 CO 0.37 -0.65 0.46 -1.58 -2.54 0.00 0.00 175.29 171.35 3if8 s HIS 508 N 2.35 -0.53 -0.24 9.60 2.46 -1.26 -5.14 115.29 122.53 3if8 s HIS 508 Ca 0.70 1.26 -0.07 0.00 0.47 0.00 0.00 55.06 57.41 3if8 s HIS 508 Cb -0.37 0.20 -0.03 0.00 -0.13 0.00 0.00 32.58 32.25 3if8 s HIS 508 CO 0.30 -0.26 0.06 0.42 -2.47 0.00 0.00 174.74 172.78 3if8 s ILE 509 N 0.43 4.21 0.12 0.89 1.01 -1.26 -5.08 121.20 121.51 3if8 s ILE 509 Ca -0.02 -0.21 -0.24 0.00 0.00 0.00 0.00 60.65 60.19 3if8 s ILE 509 Cb -0.04 -2.96 -0.07 0.00 0.01 0.00 0.00 42.46 39.40 3if8 s ILE 509 CO -0.02 0.35 0.73 -0.36 0.00 0.00 0.00 174.94 175.64 3if8 s PHE 510 N 1.58 3.85 -0.17 3.97 0.08 -1.26 -5.06 117.98 120.96 3if8 s PHE 510 Ca 0.06 1.52 0.00 0.00 0.12 0.00 0.00 56.93 58.64 3if8 s PHE 510 Cb -0.15 -2.72 0.01 0.00 -0.57 0.00 0.00 43.02 39.59 3if8 s PHE 510 CO 0.03 0.47 -0.17 -0.65 -0.10 0.00 0.00 175.22 174.80 3if8 s GLN 511 N -0.88 3.11 -0.28 0.44 -0.21 -1.26 -5.08 119.66 115.50 3if8 s GLN 511 Ca 0.35 -0.78 0.03 0.00 0.02 0.00 0.00 55.36 54.97 3if8 s GLN 511 Cb -0.22 -2.63 0.07 0.00 1.00 0.00 0.00 33.01 31.23 3if8 s GLN 511 CO 0.24 -0.12 -0.06 -1.17 -2.12 0.00 0.00 175.29 172.06 3if8 s LEU 512 N 1.13 3.79 0.20 2.90 2.96 -1.26 -5.05 118.68 123.35 3if8 s LEU 512 Ca 0.01 -1.55 -0.31 0.00 -0.22 0.00 0.00 54.13 52.05 3if8 s LEU 512 Cb -0.14 -1.59 -0.11 0.00 0.50 0.00 0.00 46.19 44.85 3if8 s LEU 512 CO -0.07 -0.24 1.62 -2.84 -1.32 0.00 0.00 176.35 173.50 3if8 s PRO 513 N 1.07 4.17 -0.00 0.98 0.02 -1.26 -5.00 135.00 134.98 3if8 s PRO 513 Ca -0.04 2.48 0.01 0.00 0.02 0.00 0.00 61.00 63.47 3if8 s PRO 513 Cb -0.20 -3.10 -0.00 0.00 0.02 0.00 0.00 34.50 31.22 3if8 s PRO 513 CO -0.05 -0.65 -0.03 0.54 -0.33 0.00 0.00 177.00 176.47 3if8 s VAL 514 N 0.93 0.27 0.04 3.83 0.11 -1.26 -5.00 120.40 119.32 3if8 s VAL 514 Ca 0.70 -0.17 -0.30 0.00 -2.93 0.00 0.00 61.98 59.28 3if8 s VAL 514 Cb -0.46 -0.24 -0.05 0.00 -1.53 0.00 0.00 36.38 34.10 3if8 s VAL 514 CO 0.34 0.06 1.18 -0.13 -3.33 0.00 0.00 175.10 173.22 3if8 s ARG 515 N -0.12 4.44 0.49 1.54 0.52 -1.26 -4.94 118.95 119.62 3if8 s ARG 515 Ca 0.01 1.72 0.30 0.00 -0.52 0.00 0.00 55.73 57.25 3if8 s ARG 515 Cb -0.02 -3.38 1.40 0.00 0.52 0.00 0.00 34.95 33.48 3if8 s ARG 515 CO -0.00 -0.25 1.80 -1.35 0.02 0.00 0.00 175.30 175.51 3if8 h PRO 516 N 6.87 0.12 -0.18 3.54 0.11 -2.00 -1.09 132.00 139.37 3if8 h PRO 516 Ca -0.41 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 3if8 h PRO 516 Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3if8 h PRO 516 CO 0.81 0.08 0.09 1.79 -0.21 0.00 0.00 178.00 180.56 3if8 h THR 517 N 0.13 1.12 0.00 -1.15 1.35 -1.98 0.37 112.91 112.76 3if8 h THR 517 Ca 0.57 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 66.07 3if8 h THR 517 Cb 1.99 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 3if8 h THR 517 CO -0.11 0.12 0.02 0.00 -0.25 0.00 0.00 175.52 175.30 3if8 n ALA 518 N -2.20 1.18 -1.28 6.62 0.00 -0.42 -2.12 120.51 122.29 3if8 n ALA 518 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 3if8 n ALA 518 Cb 0.09 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3if8 n ALA 518 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3if8 n VAL 519 N -1.13 0.00 -0.34 0.00 3.14 -0.92 -4.94 118.33 114.14 3if8 n VAL 519 Ca 0.00 0.00 0.03 0.00 -2.96 0.00 0.00 64.34 61.41 3if8 n VAL 519 Cb 0.02 1.12 0.10 0.00 -1.06 0.00 0.00 33.84 34.02 3if8 n VAL 519 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3if8 n LYS 520 N 0.00 -0.13 0.25 1.45 4.81 0.13 -1.50 118.16 123.17 3if8 n LYS 520 Ca 0.00 1.43 0.14 0.00 -0.87 0.00 0.00 58.31 59.01 3if8 n LYS 520 Cb 0.36 -2.13 0.54 0.00 0.02 0.00 0.00 35.03 33.82 3if8 n LYS 520 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3if8 h ASN 521 N 0.00 0.00 1.18 3.14 2.35 -1.86 -1.81 115.58 118.58 3if8 h ASN 521 Ca 0.40 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.15 3if8 h ASN 521 Cb 0.63 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3if8 h ASN 521 CO -0.94 0.09 -0.07 0.18 -1.65 0.00 0.00 177.43 175.04 3if8 n LEU 522 N -3.20 0.46 0.00 1.61 4.77 -0.56 -4.48 117.00 115.59 3if8 n LEU 522 Ca 0.01 0.49 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 3if8 n LEU 522 Cb 0.38 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3if8 n LEU 522 CO 0.30 -0.08 -0.18 0.00 -1.33 0.00 0.00 177.39 176.10 3if8 n TYR 523 N -1.90 0.00 0.05 -1.77 0.18 -1.02 -4.77 117.16 107.93 3if8 n TYR 523 Ca 0.06 0.00 0.10 0.00 1.88 0.00 0.00 57.90 59.94 3if8 n TYR 523 Cb 0.39 0.00 0.55 0.00 -0.38 0.00 0.00 39.34 39.90 3if8 n TYR 523 CO 0.00 0.00 0.00 1.96 -2.08 0.00 0.00 176.86 176.74 3if8 h GLN 524 N 0.00 0.25 -0.18 -3.48 4.20 -1.56 0.61 115.11 114.95 3if8 h GLN 524 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 3if8 h GLN 524 Cb 0.37 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3if8 h GLN 524 CO 0.00 0.17 0.00 0.43 -0.67 0.00 0.00 178.83 178.76 3if8 n SER 525 N -4.48 2.49 -4.86 1.46 7.64 -1.26 -5.01 113.62 109.60 3if8 n SER 525 Ca 0.04 -1.74 -0.34 0.00 1.01 0.00 0.00 58.87 57.85 3if8 n SER 525 Cb 0.25 -0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.28 3if8 n SER 525 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3if8 s GLU 526 N -1.03 3.86 -0.28 1.43 0.41 0.21 -5.06 118.70 118.24 3if8 s GLU 526 Ca 0.20 0.32 -0.26 0.00 -0.41 0.00 0.00 54.97 54.82 3if8 s GLU 526 Cb 0.12 -2.84 0.00 0.00 -1.78 0.00 0.00 34.13 29.63 3if8 s GLU 526 CO 0.17 0.44 0.90 0.15 -0.49 0.00 0.00 175.26 176.42 3if8 s LYS 527 N -2.28 4.10 0.54 1.61 3.01 -1.26 -4.98 119.74 120.48 3if8 s LYS 527 Ca 0.40 0.92 -0.20 0.00 -1.01 0.00 0.00 55.97 56.08 3if8 s LYS 527 Cb -0.13 -3.69 -0.06 0.00 -1.01 0.00 0.00 37.83 32.94 3if8 s LYS 527 CO 0.20 -0.66 1.17 -1.25 0.51 0.00 0.00 175.35 175.32 3if8 s PRO 528 N 3.09 3.33 0.42 -1.68 0.04 -1.26 -4.94 135.00 134.00 3if8 s PRO 528 Ca 0.37 1.74 0.23 0.00 0.04 0.00 0.00 61.00 63.39 3if8 s PRO 528 Cb -0.14 -2.09 0.42 0.00 0.04 0.00 0.00 34.50 32.73 3if8 s PRO 528 CO 0.10 -0.90 1.63 1.96 0.04 0.00 0.00 177.00 179.83 3if8 h GLN 529 N 1.32 0.00 -2.60 4.56 7.50 -1.96 -3.45 115.11 120.48 3if8 h GLN 529 Ca -0.50 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 58.55 3if8 h GLN 529 Cb 1.27 0.00 -0.22 0.00 0.05 0.00 0.00 27.48 28.58 3if8 h GLN 529 CO 0.57 0.11 -0.14 -1.59 -1.50 0.00 0.00 178.83 176.28 3if8 s LYS 530 N -3.23 0.64 -0.07 1.46 -2.85 -1.26 -1.57 119.74 112.86 3if8 s LYS 530 Ca 0.06 0.44 0.01 0.00 -1.00 0.00 0.00 55.97 55.47 3if8 s LYS 530 Cb 0.06 0.31 0.02 0.00 -2.06 0.00 0.00 37.83 36.16 3if8 s LYS 530 CO 0.67 -0.12 -0.09 -0.46 0.10 0.00 0.00 175.35 175.45 3if8 s TRP 531 N -0.25 1.28 -0.06 1.78 -0.00 0.37 -4.97 118.94 117.08 3if8 s TRP 531 Ca -0.04 -0.50 0.00 0.00 -0.00 0.00 0.00 56.10 55.56 3if8 s TRP 531 Cb -0.03 -1.01 0.02 0.00 -0.00 0.00 0.00 33.47 32.45 3if8 s TRP 531 CO 0.03 -0.31 -0.04 0.50 -0.00 0.00 0.00 176.95 177.12 3if8 s ARG 532 N 1.01 0.84 -0.12 5.86 3.52 -1.26 -0.26 118.95 128.53 3if8 s ARG 532 Ca -0.09 -0.07 -0.01 0.00 -0.13 0.00 0.00 55.73 55.44 3if8 s ARG 532 Cb -0.15 -0.94 -0.02 0.00 -1.56 0.00 0.00 34.95 32.28 3if8 s ARG 532 CO -0.00 -0.15 -0.10 0.54 -0.81 0.00 0.00 175.30 174.77 3if8 s VAL 533 N 1.24 3.31 -0.14 7.11 0.11 0.17 -5.01 120.40 127.19 3if8 s VAL 533 Ca -0.06 -0.58 0.02 0.00 -2.93 0.00 0.00 61.98 58.43 3if8 s VAL 533 Cb -0.14 -2.39 0.01 0.00 -1.53 0.00 0.00 36.38 32.33 3if8 s VAL 533 CO -0.02 0.53 -0.21 -0.70 -3.33 0.00 0.00 175.10 171.38 3if8 s GLU 534 N 0.15 3.07 -0.18 1.54 2.12 -1.26 -1.01 118.70 123.13 3if8 s GLU 534 Ca -0.05 -0.83 -0.02 0.00 0.36 0.00 0.00 54.97 54.42 3if8 s GLU 534 Cb -0.15 -2.47 -0.01 0.00 0.26 0.00 0.00 34.13 31.77 3if8 s GLU 534 CO 0.04 0.01 -0.08 0.42 -0.54 0.00 0.00 175.26 175.11 3if8 s ILE 535 N 0.78 3.29 0.14 -3.70 1.01 0.80 -4.96 121.20 118.56 3if8 s ILE 535 Ca -0.08 -0.55 -0.01 0.00 0.00 0.00 0.00 60.65 60.02 3if8 s ILE 535 Cb -0.16 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.87 3if8 s ILE 535 CO -0.01 0.48 0.19 0.00 0.00 0.00 0.00 174.94 175.60 3if8 n TYR 536 N 4.12 -0.84 -3.15 3.97 0.18 -1.26 -0.37 117.16 119.81 3if8 n TYR 536 Ca -0.18 -0.92 0.05 0.00 1.88 0.00 0.00 57.90 58.72 3if8 n TYR 536 Cb 0.52 0.22 -0.00 0.00 -0.38 0.00 0.00 39.34 39.70 3if8 n TYR 536 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 3if8 s SER 537 N -1.86 -1.01 0.00 9.48 0.15 -1.26 -5.04 113.70 114.17 3if8 s SER 537 Ca 0.11 0.12 0.00 0.00 0.70 0.00 0.00 55.95 56.89 3if8 s SER 537 Cb -0.00 1.64 0.00 0.00 -1.71 0.00 0.00 66.02 65.95 3if8 s SER 537 CO 0.08 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 174.95 3if8 n GLY 538 N 5.26 -0.15 3.54 9.45 0.00 -1.26 -4.50 105.19 117.53 3if8 n GLY 538 Ca 0.07 -0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 3if8 n GLY 538 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3if8 n GLN 539 N 0.00 0.07 0.17 1.61 6.02 -1.26 -4.74 117.38 119.25 3if8 n GLN 539 Ca 0.00 -1.51 0.13 0.00 -0.01 0.00 0.00 57.00 55.61 3if8 n GLN 539 Cb 0.00 -3.57 0.59 0.00 1.02 0.00 0.00 30.24 28.29 3if8 n GLN 539 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.06 177.62 3if8 h LYS 540 N 11.25 0.00 -0.08 -1.09 5.09 -1.98 -0.13 116.57 129.64 3if8 h LYS 540 Ca 0.05 0.00 -0.17 0.00 0.09 0.00 0.00 60.65 60.62 3if8 h LYS 540 Cb 0.94 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.26 3if8 h LYS 540 CO 1.20 0.00 -0.70 -0.22 -2.09 0.00 0.00 179.45 177.65 3if8 h LYS 541 N 0.00 0.35 -5.76 0.07 1.63 -1.96 -3.43 116.57 107.47 3if8 h LYS 541 Ca 0.00 -0.28 -0.59 0.00 -0.85 0.00 0.00 60.65 58.93 3if8 h LYS 541 Cb 0.24 0.05 -0.09 0.00 -0.60 0.00 0.00 32.23 31.83 3if8 h LYS 541 CO 0.00 0.91 0.37 0.42 -3.45 0.00 0.00 179.45 177.70 3if8 s ILE 542 N -3.64 4.89 0.05 2.00 -1.09 -0.06 -5.01 121.20 118.33 3if8 s ILE 542 Ca -0.05 1.47 -0.16 0.00 -2.23 0.00 0.00 60.65 59.68 3if8 s ILE 542 Cb 0.11 -4.07 0.03 0.00 -1.58 0.00 0.00 42.46 36.94 3if8 s ILE 542 CO 0.83 -0.02 0.35 -1.59 -1.23 0.00 0.00 174.94 173.28 3if8 s LYS 543 N 2.56 0.87 -0.08 2.79 -2.85 -1.26 -4.27 119.74 117.50 3if8 s LYS 543 Ca 0.33 -0.45 0.04 0.00 -1.00 0.00 0.00 55.97 54.89 3if8 s LYS 543 Cb -0.16 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.00 3if8 s LYS 543 CO 0.09 -0.29 -0.21 0.99 0.10 0.00 0.00 175.35 176.03 3if8 s THR 544 N -2.56 1.79 -0.11 3.79 2.01 0.51 -4.03 115.64 117.04 3if8 s THR 544 Ca -0.05 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.08 3if8 s THR 544 Cb -0.01 -1.56 0.02 0.00 0.01 0.00 0.00 72.50 70.96 3if8 s THR 544 CO -0.03 0.50 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.59 3if8 s VAL 545 N 0.33 1.27 -0.09 3.82 1.01 0.04 -0.14 120.40 126.65 3if8 s VAL 545 Ca -0.15 -0.48 0.02 0.00 0.00 0.00 0.00 61.98 61.37 3if8 s VAL 545 Cb -0.16 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.99 3if8 s VAL 545 CO 0.07 0.40 -0.15 0.86 0.00 0.00 0.00 175.10 176.28 3if8 s TRP 546 N 1.26 2.73 -0.01 5.22 -0.00 -0.18 -1.11 118.94 126.86 3if8 s TRP 546 Ca -0.02 -0.42 0.00 0.00 -0.00 0.00 0.00 56.10 55.66 3if8 s TRP 546 Cb -0.14 -1.72 0.01 0.00 -0.00 0.00 0.00 33.47 31.62 3if8 s TRP 546 CO -0.04 -0.02 0.00 -1.14 -0.00 0.00 0.00 176.95 175.75 3if8 s GLN 547 N -0.21 0.04 -0.10 5.86 0.74 -0.88 -0.66 119.66 124.45 3if8 s GLN 547 Ca 0.00 0.03 -0.01 0.00 0.05 0.00 0.00 55.36 55.43 3if8 s GLN 547 Cb -0.13 -0.10 -0.03 0.00 1.10 0.00 0.00 33.01 33.85 3if8 s GLN 547 CO 0.03 -0.03 -0.05 -1.17 -0.55 0.00 0.00 175.29 173.52 3if8 s LEU 548 N 0.23 3.22 0.03 3.68 2.96 0.64 -2.04 118.68 127.39 3if8 s LEU 548 Ca -0.02 -0.05 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 3if8 s LEU 548 Cb -0.03 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 3if8 s LEU 548 CO -0.01 0.30 -0.05 -0.44 -1.32 0.00 0.00 176.35 174.84 3if8 s SER 549 N -0.44 0.47 0.00 3.68 0.01 0.22 -0.48 113.70 117.16 3if8 s SER 549 Ca 0.07 -0.48 0.15 0.00 1.31 0.00 0.00 55.95 57.00 3if8 s SER 549 Cb -0.12 0.07 0.46 0.00 0.21 0.00 0.00 66.02 66.64 3if8 s SER 549 CO 0.02 -0.24 1.37 -0.90 0.41 0.00 0.00 173.24 173.91 3if8 n ASP 550 N 1.68 2.19 -3.76 2.44 5.68 -0.61 -1.18 116.55 122.99 3if8 n ASP 550 Ca -0.23 -1.93 -0.10 0.00 -0.50 0.00 0.00 54.79 52.03 3if8 n ASP 550 Cb 0.55 -0.24 -0.04 0.00 -1.14 0.00 0.00 41.12 40.25 3if8 n ASP 550 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3if8 s SER 551 N -1.15 0.11 0.02 -1.12 1.04 -1.26 -4.89 113.70 106.45 3if8 s SER 551 Ca 0.30 -1.05 -0.30 0.00 0.48 0.00 0.00 55.95 55.37 3if8 s SER 551 Cb 0.16 0.62 -0.08 0.00 0.10 0.00 0.00 66.02 66.83 3if8 s SER 551 CO 0.22 -1.22 1.72 -0.55 0.98 0.00 0.00 173.24 174.38 3if8 s SER 552 N -3.06 6.59 0.00 7.02 0.15 -1.26 -4.78 113.70 118.36 3if8 s SER 552 Ca 0.23 2.45 0.31 0.00 0.70 0.00 0.00 55.95 59.64 3if8 s SER 552 Cb -0.01 -2.55 1.87 0.00 -1.71 0.00 0.00 66.02 63.62 3if8 s SER 552 CO 0.11 -0.93 2.20 -0.81 1.20 0.00 0.00 173.24 175.01 3if8 n PRO 553 N 6.45 0.96 -4.07 5.44 -0.04 -1.26 -4.65 135.00 137.84 3if8 n PRO 553 Ca 0.17 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.31 3if8 n PRO 553 Cb 0.41 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.22 3if8 n PRO 553 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3if8 s ILE 554 N -2.02 2.07 0.30 0.52 -1.09 -1.26 -5.01 121.20 114.71 3if8 s ILE 554 Ca 0.47 -1.39 0.15 0.00 -2.23 0.00 0.00 60.65 57.64 3if8 s ILE 554 Cb 0.22 -2.10 0.09 0.00 -1.58 0.00 0.00 42.46 39.08 3if8 s ILE 554 CO 0.37 0.13 1.77 0.44 -1.23 0.00 0.00 174.94 176.42 3if8 h ASP 555 N 7.84 0.00 0.30 3.58 3.32 -2.03 -2.90 116.42 126.53 3if8 h ASP 555 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3if8 h ASP 555 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 3if8 h ASP 555 CO 0.50 0.41 -0.42 0.00 -1.72 0.00 0.00 179.24 178.02 3if8 n HIS 556 N -3.86 0.00 -2.19 4.55 1.44 -1.26 -4.87 115.22 109.03 3if8 n HIS 556 Ca -0.01 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.27 3if8 n HIS 556 Cb 0.47 -0.15 -0.03 0.00 0.12 0.00 0.00 29.99 30.40 3if8 n HIS 556 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 3if8 s LEU 557 N -2.72 4.32 -0.44 2.39 0.20 -1.10 -4.96 118.68 116.37 3if8 s LEU 557 Ca 0.18 2.16 -0.12 0.00 0.69 0.00 0.00 54.13 57.03 3if8 s LEU 557 Cb 0.18 -3.56 0.07 0.00 -0.43 0.00 0.00 46.19 42.45 3if8 s LEU 557 CO 0.62 -0.74 0.32 0.21 -0.29 0.00 0.00 176.35 176.47 3if8 s ASN 558 N 1.92 5.89 0.00 3.68 3.84 -1.26 -4.96 114.94 124.06 3if8 s ASN 558 Ca 0.65 -1.36 0.29 0.00 0.21 0.00 0.00 52.86 52.66 3if8 s ASN 558 Cb -0.32 -2.09 1.36 0.00 -0.55 0.00 0.00 41.25 39.65 3if8 s ASN 558 CO 0.27 -0.57 1.95 0.49 -2.79 0.00 0.00 177.10 176.45 3if8 n PHE 559 N 5.06 0.00 -0.10 0.43 3.72 -1.26 -5.28 117.46 120.03 3if8 n PHE 559 Ca -0.11 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.29 3if8 n PHE 559 Cb 0.44 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.76 3if8 n PHE 559 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 3if8 n HIS 560 N -1.10 0.00 -1.68 1.38 8.25 -1.26 -5.32 115.22 115.49 3if8 n HIS 560 Ca 0.15 0.00 -0.51 0.00 -0.26 0.00 0.00 57.72 57.10 3if8 n HIS 560 Cb 0.26 -0.70 -0.05 0.00 1.12 0.00 0.00 29.99 30.61 3if8 n HIS 560 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 3if8 n ARG 576 N 0.41 1.76 -3.65 -0.41 0.00 -1.26 -5.35 116.66 108.16 3if8 n ARG 576 Ca 0.00 0.64 -0.36 0.00 -0.00 0.00 0.00 57.85 58.13 3if8 n ARG 576 Cb 0.01 -2.40 -0.07 0.00 0.00 0.00 0.00 32.46 29.99 3if8 n ARG 576 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 3if8 s ILE 577 N 2.98 5.36 -0.06 5.15 1.01 -1.26 -5.10 121.20 129.28 3if8 s ILE 577 Ca 0.91 0.39 -0.01 0.00 0.00 0.00 0.00 60.65 61.93 3if8 s ILE 577 Cb -0.83 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 3if8 s ILE 577 CO 0.53 0.45 0.03 -0.36 0.00 0.00 0.00 174.94 175.59 3if8 s PHE 578 N 0.15 3.21 -0.17 3.97 0.40 -1.26 -4.83 117.98 119.46 3if8 s PHE 578 Ca 0.13 0.20 -0.05 0.00 -0.60 0.00 0.00 56.93 56.61 3if8 s PHE 578 Cb -0.12 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.61 3if8 s PHE 578 CO 0.02 0.51 0.01 -0.06 0.70 0.00 0.00 175.22 176.40 3if8 s PHE 579 N -1.00 3.13 0.01 0.36 0.08 -0.32 -4.99 117.98 115.25 3if8 s PHE 579 Ca 0.17 -0.12 0.07 0.00 0.12 0.00 0.00 56.93 57.17 3if8 s PHE 579 Cb -0.12 -2.02 -0.02 0.00 -0.57 0.00 0.00 43.02 40.30 3if8 s PHE 579 CO 0.06 0.06 -0.22 -0.08 -0.10 0.00 0.00 175.22 174.94 3if8 s THR 580 N 0.36 1.73 0.01 0.64 -1.32 -1.26 -0.61 115.64 115.20 3if8 s THR 580 Ca -0.01 -1.06 -0.12 0.00 -1.21 0.00 0.00 61.69 59.29 3if8 s THR 580 Cb -0.13 -1.47 0.01 0.00 -1.51 0.00 0.00 72.50 69.40 3if8 s THR 580 CO 0.02 0.38 0.25 0.54 -2.21 0.00 0.00 174.62 173.59 3if8 s ASN 581 N -0.80 -0.08 0.06 8.08 4.22 -0.87 -5.02 114.94 120.54 3if8 s ASN 581 Ca 0.08 -0.14 0.04 0.00 -2.14 0.00 0.00 52.86 50.70 3if8 s ASN 581 Cb -0.09 0.30 -0.03 0.00 1.28 0.00 0.00 41.25 42.71 3if8 s ASN 581 CO 0.00 -0.50 -0.11 -0.04 -2.04 0.00 0.00 177.10 174.41 3if8 s MET 582 N -1.91 0.72 -0.16 3.55 -1.94 -1.26 -2.08 119.30 116.21 3if8 s MET 582 Ca -0.10 -0.92 0.01 0.00 -1.71 0.00 0.00 55.69 52.97 3if8 s MET 582 Cb -0.04 -0.59 0.03 0.00 2.01 0.00 0.00 34.83 36.24 3if8 s MET 582 CO 0.00 0.12 -0.14 0.08 -0.01 0.00 0.00 175.02 175.07 3if8 s VAL 583 N -1.50 1.67 0.17 -6.03 1.01 -0.26 -4.98 120.40 110.47 3if8 s VAL 583 Ca -0.04 -0.75 0.07 0.00 0.00 0.00 0.00 61.98 61.26 3if8 s VAL 583 Cb -0.09 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.66 3if8 s VAL 583 CO 0.01 0.42 -0.14 0.42 0.00 0.00 0.00 175.10 175.82 3if8 s THR 584 N 1.44 1.51 0.18 3.92 -4.23 -1.26 -0.78 115.64 116.41 3if8 s THR 584 Ca 0.04 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.51 3if8 s THR 584 Cb -0.13 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 3if8 s THR 584 CO -0.11 -0.56 0.11 0.00 -0.54 0.00 0.00 174.62 173.52 3if8 s SER 586 N -3.12 1.12 -0.02 0.00 0.01 -1.26 -5.00 113.70 105.42 3if8 s SER 586 Ca 0.34 -0.17 -0.21 0.00 1.31 0.00 0.00 55.95 57.22 3if8 s SER 586 Cb 0.07 -0.31 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 3if8 s SER 586 CO 0.09 0.06 0.60 -1.58 0.41 0.00 0.00 173.24 172.81 3if8 s GLN 587 N 0.22 4.34 -0.09 12.44 0.74 -1.26 -5.06 119.66 130.98 3if8 s GLN 587 Ca -0.03 0.73 0.01 0.00 0.05 0.00 0.00 55.36 56.12 3if8 s GLN 587 Cb -0.08 -3.37 0.02 0.00 1.10 0.00 0.00 33.01 30.68 3if8 s GLN 587 CO 0.00 0.30 -0.12 0.08 -0.55 0.00 0.00 175.29 175.01 3if8 s VAL 588 N 0.03 1.19 0.01 1.34 1.01 -1.26 -5.13 120.40 117.60 3if8 s VAL 588 Ca 0.31 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.78 3if8 s VAL 588 Cb -0.18 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.03 3if8 s VAL 588 CO 0.17 0.38 0.26 -1.00 0.00 0.00 0.00 175.10 174.90 3if8 s HIS 589 N 1.05 3.57 -2.62 5.22 0.09 -1.26 -5.33 115.29 116.01 3if8 s HIS 589 Ca -0.07 0.53 0.27 0.00 -0.00 0.00 0.00 55.06 55.79 3if8 s HIS 589 Cb -0.15 -1.96 0.84 0.00 -0.00 0.00 0.00 32.58 31.32 3if8 s HIS 589 CO -0.01 0.61 1.63 1.19 -0.00 0.00 0.00 174.74 178.15