#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxb s LYS 347 N 0.00 1.66 0.06 -0.67 2.47 -1.26 -4.19 119.74 117.80 3dxb s LYS 347 Ca 0.00 -1.94 -0.25 0.00 -1.56 0.00 0.00 55.97 52.21 3dxb s LYS 347 Cb 0.00 -0.60 -0.06 0.00 -1.46 0.00 0.00 37.83 35.71 3dxb s LYS 347 CO 0.00 -0.30 0.78 0.42 0.16 0.00 0.00 175.35 176.41 3dxb s ILE 348 N -3.41 4.68 0.16 5.43 1.01 -1.26 -4.70 121.20 123.11 3dxb s ILE 348 Ca 0.34 1.67 -0.30 0.00 0.00 0.00 0.00 60.65 62.36 3dxb s ILE 348 Cb 0.07 -4.13 -0.07 0.00 0.01 0.00 0.00 42.46 38.33 3dxb s ILE 348 CO 0.15 0.37 1.10 -0.63 0.00 0.00 0.00 174.94 175.94 3dxb s ILE 349 N -0.15 3.94 -0.44 2.92 1.01 -0.28 -4.96 121.20 123.24 3dxb s ILE 349 Ca 0.39 1.63 -0.20 0.00 0.00 0.00 0.00 60.65 62.47 3dxb s ILE 349 Cb -0.21 -4.04 0.02 0.00 0.01 0.00 0.00 42.46 38.25 3dxb s ILE 349 CO 0.24 0.26 0.60 -2.28 0.00 0.00 0.00 174.94 173.76 3dxb s HIS 350 N -0.07 3.08 0.29 3.97 5.65 -1.26 -1.34 115.29 125.62 3dxb s HIS 350 Ca 0.50 -0.14 -0.13 0.00 0.25 0.00 0.00 55.06 55.54 3dxb s HIS 350 Cb -0.29 -3.26 -0.08 0.00 -1.18 0.00 0.00 32.58 27.77 3dxb s HIS 350 CO 0.34 -0.84 0.67 -0.51 -0.65 0.00 0.00 174.74 173.74 3dxb s LEU 351 N 2.67 4.09 0.30 8.88 1.43 -0.28 -4.96 118.68 130.82 3dxb s LEU 351 Ca 0.20 1.14 0.04 0.00 -1.03 0.00 0.00 54.13 54.48 3dxb s LEU 351 Cb -0.15 -3.93 -0.06 0.00 0.03 0.00 0.00 46.19 42.08 3dxb s LEU 351 CO 0.18 -0.16 0.03 0.42 0.23 0.00 0.00 176.35 177.04 3dxb s THR 352 N -1.94 1.22 0.40 5.49 -4.23 -1.26 -4.60 115.64 110.72 3dxb s THR 352 Ca 0.52 -2.02 0.07 0.00 -1.18 0.00 0.00 61.69 59.07 3dxb s THR 352 Cb -0.11 -2.67 0.27 0.00 1.34 0.00 0.00 72.50 71.33 3dxb s THR 352 CO 0.19 -0.10 2.04 0.44 -0.54 0.00 0.00 174.62 176.66 3dxb h ASP 353 N 2.20 0.51 0.53 3.99 3.45 -1.92 -1.87 116.42 123.30 3dxb h ASP 353 Ca -0.40 -0.01 -0.22 0.00 0.43 0.00 0.00 57.03 56.83 3dxb h ASP 353 Cb 1.24 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.88 3dxb h ASP 353 CO 0.68 0.36 -0.96 0.44 -1.57 0.00 0.00 179.24 178.20 3dxb h ASP 354 N 0.60 0.36 0.98 6.45 3.45 -2.01 -3.33 116.42 122.92 3dxb h ASP 354 Ca 0.18 -0.31 0.00 0.00 0.43 0.00 0.00 57.03 57.33 3dxb h ASP 354 Cb -0.00 -0.11 0.00 0.00 -0.56 0.00 0.00 39.33 38.66 3dxb h ASP 354 CO -0.04 1.13 -0.71 0.77 -1.57 0.00 0.00 179.24 178.82 3dxb h SER 355 N 0.14 0.00 -0.55 6.45 4.64 -1.89 -3.40 113.55 118.93 3dxb h SER 355 Ca -0.07 -0.13 0.11 0.00 -0.47 0.00 0.00 61.79 61.23 3dxb h SER 355 Cb 1.61 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 63.60 3dxb h SER 355 CO 0.15 0.07 -0.04 0.15 -0.87 0.00 0.00 176.83 176.29 3dxb h PHE 356 N 0.00 -0.11 -0.16 4.77 3.57 -1.46 0.30 116.94 123.85 3dxb h PHE 356 Ca 0.00 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.58 3dxb h PHE 356 Cb 0.84 0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 3dxb h PHE 356 CO 0.00 -0.17 -0.06 0.22 -2.23 0.00 0.00 178.31 176.07 3dxb h ASP 357 N 0.08 -0.22 -0.03 0.41 1.82 -1.83 0.24 116.42 116.89 3dxb h ASP 357 Ca 0.28 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.96 3dxb h ASP 357 Cb 0.43 0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.57 3dxb h ASP 357 CO -0.49 -0.09 -0.02 0.74 -1.61 0.00 0.00 179.24 177.77 3dxb h THR 358 N -0.04 1.33 -0.11 2.25 2.02 -1.68 0.53 112.91 117.21 3dxb h THR 358 Ca 0.09 -1.03 -0.12 0.00 0.77 0.00 0.00 66.41 66.12 3dxb h THR 358 Cb 0.17 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 68.52 3dxb h THR 358 CO -0.19 0.27 -0.45 0.44 0.37 0.00 0.00 175.52 175.96 3dxb h ASP 359 N -0.33 0.27 0.00 4.18 5.19 -0.32 -3.23 116.42 122.19 3dxb h ASP 359 Ca 0.01 -0.12 0.00 0.00 -0.62 0.00 0.00 57.03 56.29 3dxb h ASP 359 Cb 0.45 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.89 3dxb h ASP 359 CO 0.01 0.69 -0.19 0.52 -3.12 0.00 0.00 179.24 177.15 3dxb n VAL 360 N -3.99 0.64 0.04 -1.35 0.31 0.85 -4.44 118.33 110.39 3dxb n VAL 360 Ca -0.02 0.25 -0.01 0.00 -0.01 0.00 0.00 64.34 64.55 3dxb n VAL 360 Cb 0.51 -1.53 0.27 0.00 -0.91 0.00 0.00 33.84 32.19 3dxb n VAL 360 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3dxb h LEU 361 N -0.19 0.40 -2.91 7.52 3.38 -1.30 -2.86 115.31 119.36 3dxb h LEU 361 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3dxb h LEU 361 Cb 0.19 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dxb h LEU 361 CO 0.00 0.59 0.00 0.29 0.09 0.00 0.00 178.44 179.41 3dxb n LYS 362 N -4.19 2.97 -2.39 1.13 5.02 0.12 -3.09 118.16 117.72 3dxb n LYS 362 Ca 0.00 -2.46 -0.33 0.00 -2.02 0.00 0.00 58.31 53.50 3dxb n LYS 362 Cb 0.33 -1.51 -0.02 0.00 -0.02 0.00 0.00 35.03 33.80 3dxb n LYS 362 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dxb s ALA 363 N -1.26 2.87 0.12 7.82 0.00 -1.08 -4.98 121.76 125.25 3dxb s ALA 363 Ca 0.38 0.46 -0.28 0.00 0.00 0.00 0.00 51.96 52.52 3dxb s ALA 363 Cb 0.22 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 20.05 3dxb s ALA 363 CO 0.23 -0.42 0.88 -0.51 0.00 0.00 0.00 175.76 175.94 3dxb s ASP 364 N -2.40 7.42 0.08 0.00 1.11 -1.26 -4.62 116.67 116.99 3dxb s ASP 364 Ca 0.64 1.70 0.00 0.00 0.18 0.00 0.00 52.55 55.07 3dxb s ASP 364 Cb -0.15 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.30 3dxb s ASP 364 CO 0.26 0.03 0.00 0.61 1.18 0.00 0.00 175.17 177.25 3dxb n GLY 365 N 2.09 -2.30 3.77 0.21 0.00 -1.26 -4.91 105.19 102.78 3dxb n GLY 365 Ca -0.01 -1.42 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 3dxb n GLY 365 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxb s ALA 366 N -2.56 3.37 -0.11 4.61 0.00 -1.26 -4.63 121.76 121.19 3dxb s ALA 366 Ca 0.00 1.05 0.02 0.00 0.00 0.00 0.00 51.96 53.04 3dxb s ALA 366 Cb 0.00 -3.40 0.01 0.00 0.00 0.00 0.00 23.12 19.73 3dxb s ALA 366 CO 0.00 -0.44 -0.17 0.42 0.00 0.00 0.00 175.76 175.57 3dxb s ILE 367 N -1.23 1.61 -0.38 0.00 -1.09 0.37 -1.62 121.20 118.87 3dxb s ILE 367 Ca 0.50 -0.72 -0.15 0.00 -2.23 0.00 0.00 60.65 58.05 3dxb s ILE 367 Cb -0.35 -1.45 0.00 0.00 -1.58 0.00 0.00 42.46 39.09 3dxb s ILE 367 CO 0.45 0.46 0.30 -0.22 -1.23 0.00 0.00 174.94 174.70 3dxb s LEU 368 N 0.84 4.78 -0.22 2.97 2.96 0.29 -0.23 118.68 130.08 3dxb s LEU 368 Ca -0.09 -0.61 -0.12 0.00 -0.22 0.00 0.00 54.13 53.08 3dxb s LEU 368 Cb -0.16 -2.20 -0.05 0.00 0.50 0.00 0.00 46.19 44.29 3dxb s LEU 368 CO 0.00 -0.37 0.21 -0.69 -1.32 0.00 0.00 176.35 174.19 3dxb s VAL 369 N 1.79 5.33 -0.31 1.68 1.01 0.76 -0.77 120.40 129.90 3dxb s VAL 369 Ca 0.07 0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.31 3dxb s VAL 369 Cb -0.18 -3.55 0.03 0.00 0.00 0.00 0.00 36.38 32.68 3dxb s VAL 369 CO 0.11 0.35 0.08 -0.62 0.00 0.00 0.00 175.10 175.01 3dxb s ASP 370 N 0.88 5.15 -0.25 3.32 3.68 0.69 -0.67 116.67 129.47 3dxb s ASP 370 Ca 0.11 -0.96 -0.22 0.00 2.13 0.00 0.00 52.55 53.61 3dxb s ASP 370 Cb -0.13 -1.85 -0.02 0.00 -1.45 0.00 0.00 42.92 39.47 3dxb s ASP 370 CO 0.04 -0.26 0.69 -0.36 0.13 0.00 0.00 175.17 175.41 3dxb s PHE 371 N 1.43 3.30 0.33 -5.34 0.40 -0.40 -0.66 117.98 117.03 3dxb s PHE 371 Ca -0.00 0.92 -0.05 0.00 -0.60 0.00 0.00 56.93 57.21 3dxb s PHE 371 Cb -0.18 -2.90 0.00 0.00 0.51 0.00 0.00 43.02 40.45 3dxb s PHE 371 CO 0.02 -0.34 0.48 1.67 0.70 0.00 0.00 175.22 177.75 3dxb s TRP 372 N 2.55 0.92 0.04 0.36 1.48 -0.88 -2.92 118.94 120.50 3dxb s TRP 372 Ca 0.29 -1.19 -0.22 0.00 -1.06 0.00 0.00 56.10 53.92 3dxb s TRP 372 Cb -0.15 -0.02 0.05 0.00 -1.16 0.00 0.00 33.47 32.19 3dxb s TRP 372 CO 0.08 -1.12 0.51 0.00 -4.06 0.00 0.00 176.95 172.37 3dxb s ALA 373 N -3.20 -1.31 0.32 2.67 0.00 -1.26 -0.81 121.76 118.16 3dxb s ALA 373 Ca 0.29 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.85 3dxb s ALA 373 Cb -0.00 0.36 0.51 0.00 0.00 0.00 0.00 23.12 23.99 3dxb s ALA 373 CO 0.18 -0.49 1.94 0.93 0.00 0.00 0.00 175.76 178.32 3dxb h GLU 374 N 2.83 0.89 0.00 0.00 4.39 -2.01 -1.92 114.58 118.76 3dxb h GLU 374 Ca -0.31 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.30 3dxb h GLU 374 Cb 1.21 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 3dxb h GLU 374 CO 0.41 0.66 0.00 0.11 -1.16 0.00 0.00 179.01 179.03 3dxb h TRP 375 N 0.90 0.00 -2.74 4.33 5.08 -2.04 -3.44 115.95 118.03 3dxb h TRP 375 Ca 0.23 0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.63 3dxb h TRP 375 Cb 0.03 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.15 3dxb h TRP 375 CO 0.01 0.00 1.24 0.00 -1.28 0.00 0.00 178.44 178.40 3dxb h GLY 377 N 13.60 0.21 2.00 0.00 0.00 -1.86 -2.79 103.07 114.22 3dxb h GLY 377 Ca -0.32 -0.10 -0.03 0.00 0.00 0.00 0.00 47.33 46.88 3dxb h GLY 377 CO 1.06 0.10 -0.15 -2.55 0.00 0.00 0.00 176.54 175.00 3dxb h PRO 378 N 0.11 0.00 -0.48 4.80 0.11 -1.91 -2.31 132.00 132.32 3dxb h PRO 378 Ca 0.05 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.05 3dxb h PRO 378 Cb 0.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 3dxb h PRO 378 CO -0.01 0.15 -0.13 0.00 -0.21 0.00 0.00 178.00 177.80 3dxb h LYS 380 N 0.81 0.20 -0.65 0.00 1.57 -1.33 -2.77 116.57 114.40 3dxb h LYS 380 Ca 0.13 -0.17 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3dxb h LYS 380 Cb 0.66 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.98 3dxb h LYS 380 CO 0.05 0.85 0.43 1.98 -0.57 0.00 0.00 179.45 182.19 3dxb h MET 381 N 0.13 0.81 0.00 3.15 4.05 -1.23 -2.96 114.93 118.87 3dxb h MET 381 Ca -0.02 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.35 3dxb h MET 381 Cb 1.31 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 3dxb h MET 381 CO 0.11 0.53 -0.72 0.44 0.23 0.00 0.00 176.91 177.51 3dxb n ILE 382 N -4.45 0.02 -0.01 1.77 -5.35 -0.98 -4.44 119.36 105.92 3dxb n ILE 382 Ca 0.07 -0.03 -0.09 0.00 -0.27 0.00 0.00 62.75 62.43 3dxb n ILE 382 Cb 0.08 0.47 -0.03 0.00 -1.74 0.00 0.00 39.64 38.42 3dxb n ILE 382 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dxb h ALA 383 N 2.94 -0.01 0.00 -1.28 0.00 -1.31 -0.13 119.26 119.47 3dxb h ALA 383 Ca 0.00 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 3dxb h ALA 383 Cb 0.53 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3dxb h ALA 383 CO 0.00 -0.56 -0.22 -1.00 0.00 0.00 0.00 179.25 177.47 3dxb h PRO 384 N -0.13 0.00 -0.30 0.00 0.13 -1.78 -1.62 132.00 128.30 3dxb h PRO 384 Ca 0.09 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.17 3dxb h PRO 384 Cb 0.27 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.39 3dxb h PRO 384 CO -0.22 0.22 -0.00 0.82 -0.23 0.00 0.00 178.00 178.58 3dxb h ILE 385 N 0.00 1.26 -0.08 -3.56 2.04 -1.67 -2.81 117.51 112.69 3dxb h ILE 385 Ca -0.00 -0.95 -0.05 0.00 1.00 0.00 0.00 64.86 64.86 3dxb h ILE 385 Cb 0.38 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3dxb h ILE 385 CO 0.03 0.30 -0.18 -0.07 0.00 0.00 0.00 178.15 178.23 3dxb h LEU 386 N 0.32 0.12 -0.42 1.44 3.38 -0.68 -1.46 115.31 118.01 3dxb h LEU 386 Ca 0.08 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 3dxb h LEU 386 Cb 0.44 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3dxb h LEU 386 CO 0.02 0.32 0.26 0.44 0.09 0.00 0.00 178.44 179.56 3dxb h ASP 387 N 0.12 0.50 -0.36 -0.43 3.45 -1.15 -0.06 116.42 118.50 3dxb h ASP 387 Ca 0.02 -0.05 -0.14 0.00 0.43 0.00 0.00 57.03 57.30 3dxb h ASP 387 Cb 0.40 -0.13 -0.01 0.00 -0.56 0.00 0.00 39.33 39.03 3dxb h ASP 387 CO 0.03 0.40 -0.32 -0.33 -1.57 0.00 0.00 179.24 177.45 3dxb h GLU 388 N 0.56 0.84 -0.82 3.56 5.08 -1.21 -2.43 114.58 120.16 3dxb h GLU 388 Ca 0.15 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.07 3dxb h GLU 388 Cb -0.01 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3dxb h GLU 388 CO -0.03 1.07 0.47 0.82 -1.00 0.00 0.00 179.01 180.35 3dxb h ILE 389 N 0.64 1.23 -0.62 3.13 1.08 -1.20 0.83 117.51 122.60 3dxb h ILE 389 Ca 0.06 -0.54 -0.03 0.00 -0.39 0.00 0.00 64.86 63.96 3dxb h ILE 389 Cb 0.90 0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.72 3dxb h ILE 389 CO 0.08 0.25 0.27 0.00 -0.69 0.00 0.00 178.15 178.07 3dxb h ALA 390 N 1.38 0.81 -0.05 1.87 0.00 -0.80 -1.28 119.26 121.19 3dxb h ALA 390 Ca 0.29 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3dxb h ALA 390 Cb -0.01 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.53 3dxb h ALA 390 CO -0.05 0.40 -0.21 -0.44 0.00 0.00 0.00 179.25 178.94 3dxb h ASP 391 N 0.86 0.28 0.37 0.00 3.32 -1.19 -3.20 116.42 116.87 3dxb h ASP 391 Ca 0.21 -0.64 -0.10 0.00 0.02 0.00 0.00 57.03 56.52 3dxb h ASP 391 Cb 0.17 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3dxb h ASP 391 CO -0.02 0.87 -0.45 -0.33 -1.72 0.00 0.00 179.24 177.59 3dxb h GLU 392 N -0.30 0.10 -0.43 3.56 5.08 -0.80 -3.10 114.58 118.69 3dxb h GLU 392 Ca -0.01 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3dxb h GLU 392 Cb 0.86 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.09 3dxb h GLU 392 CO 0.04 0.53 0.03 0.66 -1.00 0.00 0.00 179.01 179.27 3dxb n TYR 393 N -4.00 1.53 -1.83 4.33 4.02 -0.49 -5.02 117.16 115.70 3dxb n TYR 393 Ca -0.02 -0.90 -0.41 0.00 -0.01 0.00 0.00 57.90 56.56 3dxb n TYR 393 Cb 0.49 -0.44 -0.02 0.00 -0.02 0.00 0.00 39.34 39.35 3dxb n TYR 393 CO 0.00 0.00 0.00 1.14 -1.01 0.00 0.00 176.86 176.99 3dxb s GLN 394 N -2.85 4.15 0.00 -0.72 -2.07 -1.17 -0.43 119.66 116.57 3dxb s GLN 394 Ca 0.48 2.52 0.00 0.00 -1.82 0.00 0.00 55.36 56.54 3dxb s GLN 394 Cb 0.38 -3.04 0.00 0.00 -1.09 0.00 0.00 33.01 29.26 3dxb s GLN 394 CO 0.11 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 173.91 3dxb n GLY 395 N 2.13 2.03 0.01 2.60 0.00 -1.26 -4.73 105.19 105.97 3dxb n GLY 395 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 3dxb n GLY 395 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dxb n LYS 396 N -2.00 2.53 -3.80 1.61 4.76 -0.67 -5.06 118.16 115.52 3dxb n LYS 396 Ca 0.00 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.32 3dxb n LYS 396 Cb 0.00 -1.04 -0.12 0.00 -1.84 0.00 0.00 35.03 32.03 3dxb n LYS 396 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3dxb s LEU 397 N -4.45 1.22 -0.13 -0.35 2.96 0.43 -4.06 118.68 114.31 3dxb s LEU 397 Ca -0.01 0.37 -0.01 0.00 -0.22 0.00 0.00 54.13 54.25 3dxb s LEU 397 Cb 0.01 0.72 -0.02 0.00 0.50 0.00 0.00 46.19 47.40 3dxb s LEU 397 CO 0.06 -0.10 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.01 3dxb s THR 398 N -0.02 3.45 0.05 3.68 2.01 -0.64 -4.33 115.64 119.85 3dxb s THR 398 Ca -0.01 -0.52 -0.14 0.00 0.31 0.00 0.00 61.69 61.32 3dxb s THR 398 Cb -0.02 -2.47 -0.06 0.00 0.01 0.00 0.00 72.50 69.96 3dxb s THR 398 CO 0.00 0.52 0.46 -0.69 -0.69 0.00 0.00 174.62 174.22 3dxb s VAL 399 N 0.19 4.97 -0.06 3.82 1.01 -1.26 -0.55 120.40 128.51 3dxb s VAL 399 Ca -0.05 0.82 -0.07 0.00 0.00 0.00 0.00 61.98 62.68 3dxb s VAL 399 Cb -0.14 -3.73 0.02 0.00 0.00 0.00 0.00 36.38 32.52 3dxb s VAL 399 CO 0.04 0.46 0.19 0.00 0.00 0.00 0.00 175.10 175.78 3dxb s ALA 400 N -1.22 -0.46 -0.09 5.51 0.00 0.05 -1.13 121.76 124.43 3dxb s ALA 400 Ca 0.29 0.45 0.04 0.00 0.00 0.00 0.00 51.96 52.73 3dxb s ALA 400 Cb -0.16 -0.25 0.00 0.00 0.00 0.00 0.00 23.12 22.71 3dxb s ALA 400 CO 0.16 -0.11 -0.21 0.15 0.00 0.00 0.00 175.76 175.75 3dxb s LYS 401 N -0.12 2.70 -0.32 0.00 1.02 -0.45 -0.22 119.74 122.36 3dxb s LYS 401 Ca -0.02 -0.77 -0.01 0.00 0.02 0.00 0.00 55.97 55.19 3dxb s LYS 401 Cb -0.02 -2.08 0.07 0.00 -0.52 0.00 0.00 37.83 35.27 3dxb s LYS 401 CO 0.01 0.16 0.02 -1.17 -0.92 0.00 0.00 175.35 173.45 3dxb s LEU 402 N 0.38 4.15 -0.13 3.17 2.96 0.17 -1.12 118.68 128.25 3dxb s LEU 402 Ca -0.17 -1.50 -0.29 0.00 -0.22 0.00 0.00 54.13 51.95 3dxb s LEU 402 Cb -0.17 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 3dxb s LEU 402 CO 0.07 -0.31 1.67 0.21 -1.32 0.00 0.00 176.35 176.67 3dxb s ASN 403 N 1.30 6.48 0.31 3.68 3.84 -1.26 -2.08 114.94 127.20 3dxb s ASN 403 Ca -0.02 1.95 0.26 0.00 0.21 0.00 0.00 52.86 55.26 3dxb s ASN 403 Cb -0.20 -2.53 0.81 0.00 -0.55 0.00 0.00 41.25 38.77 3dxb s ASN 403 CO -0.03 -1.12 1.75 0.16 -2.79 0.00 0.00 177.10 175.07 3dxb h ILE 404 N 5.90 0.00 0.00 -5.21 3.07 -1.19 -0.20 117.51 119.89 3dxb h ILE 404 Ca -0.37 -0.54 -0.03 0.00 1.55 0.00 0.00 64.86 65.47 3dxb h ILE 404 Cb 1.17 1.48 0.00 0.00 -0.27 0.00 0.00 36.82 39.21 3dxb h ILE 404 CO 0.97 0.00 -0.13 0.44 -1.05 0.00 0.00 178.15 178.39 3dxb h ASP 405 N 0.00 0.11 0.53 2.16 3.45 -1.91 -3.15 116.42 117.60 3dxb h ASP 405 Ca 0.00 -0.81 -0.12 0.00 0.43 0.00 0.00 57.03 56.53 3dxb h ASP 405 Cb 0.69 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 39.41 3dxb h ASP 405 CO 0.00 0.90 -0.54 1.56 -1.57 0.00 0.00 179.24 179.59 3dxb h GLN 406 N -0.68 0.02 -2.65 3.56 4.20 -1.93 -3.38 115.11 114.25 3dxb h GLN 406 Ca -0.02 -0.01 -0.60 0.00 0.06 0.00 0.00 58.65 58.08 3dxb h GLN 406 Cb 0.93 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.31 3dxb h GLN 406 CO 0.03 0.56 -0.82 -0.80 -0.67 0.00 0.00 178.83 177.12 3dxb s ASN 407 N -6.87 2.74 0.00 1.46 0.01 -0.09 -4.94 114.94 107.24 3dxb s ASN 407 Ca -0.02 -3.30 0.29 0.00 -0.71 0.00 0.00 52.86 49.13 3dxb s ASN 407 Cb 0.13 -0.88 1.33 0.00 0.41 0.00 0.00 41.25 42.25 3dxb s ASN 407 CO 0.75 -0.15 1.91 -0.81 -1.51 0.00 0.00 177.10 177.30 3dxb n PRO 408 N 2.61 0.98 0.11 -0.60 -0.04 -1.19 -4.15 135.00 132.72 3dxb n PRO 408 Ca 0.25 -0.35 -0.18 0.00 -0.04 0.00 0.00 63.50 63.17 3dxb n PRO 408 Cb 0.42 -1.49 -0.13 0.00 -0.04 0.00 0.00 33.50 32.26 3dxb n PRO 408 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3dxb h GLY 409 N 4.95 0.44 0.19 0.55 0.00 -1.94 -3.40 103.07 103.86 3dxb h GLY 409 Ca 0.00 -1.06 -0.00 0.00 0.00 0.00 0.00 47.33 46.27 3dxb h GLY 409 CO 0.00 0.93 -0.00 -0.84 0.00 0.00 0.00 176.54 176.62 3dxb h THR 410 N 0.13 1.59 -0.56 4.70 2.02 -1.93 -3.39 112.91 115.47 3dxb h THR 410 Ca -0.16 -1.87 0.05 0.00 0.77 0.00 0.00 66.41 65.20 3dxb h THR 410 Cb 1.97 2.84 -0.05 0.00 -1.74 0.00 0.00 68.15 71.18 3dxb h THR 410 CO 0.22 0.48 0.30 0.00 0.37 0.00 0.00 175.52 176.88 3dxb h ALA 411 N 0.15 0.73 0.00 6.16 0.00 -1.82 -1.23 119.26 123.25 3dxb h ALA 411 Ca -0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 3dxb h ALA 411 Cb 0.79 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 3dxb h ALA 411 CO 0.00 -0.04 -0.00 -1.35 0.00 0.00 0.00 179.25 177.86 3dxb h PRO 412 N 0.57 0.00 0.00 0.00 0.11 -1.80 -1.13 132.00 129.75 3dxb h PRO 412 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 3dxb h PRO 412 Cb 0.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.26 3dxb h PRO 412 CO -0.17 0.00 0.00 0.87 -0.21 0.00 0.00 178.00 178.49 3dxb h LYS 413 N 0.00 0.00 -0.27 1.05 1.57 -1.40 -3.02 116.57 114.50 3dxb h LYS 413 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dxb h LYS 413 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3dxb h LYS 413 CO 0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 3dxb n TYR 414 N -2.72 0.35 -2.51 -1.35 4.02 -0.48 -4.98 117.16 109.50 3dxb n TYR 414 Ca 0.03 -0.38 -0.11 0.00 -0.01 0.00 0.00 57.90 57.42 3dxb n TYR 414 Cb 0.35 -0.02 0.01 0.00 -0.02 0.00 0.00 39.34 39.66 3dxb n TYR 414 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dxb n GLY 415 N 0.54 0.04 3.72 2.72 0.00 -1.09 -4.99 105.19 106.13 3dxb n GLY 415 Ca 0.10 -0.36 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 3dxb n GLY 415 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dxb s ILE 416 N -2.76 3.91 0.00 -0.61 -1.09 -0.91 -4.96 121.20 114.78 3dxb s ILE 416 Ca 0.11 1.46 0.00 0.00 -2.23 0.00 0.00 60.65 59.99 3dxb s ILE 416 Cb -0.05 -3.93 0.00 0.00 -1.58 0.00 0.00 42.46 36.90 3dxb s ILE 416 CO 0.14 0.16 0.00 0.54 -1.23 0.00 0.00 174.94 174.55 3dxb n ARG 417 N 3.34 0.00 -2.55 2.79 1.74 -1.26 -4.67 116.66 116.05 3dxb n ARG 417 Ca 0.07 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.87 3dxb n ARG 417 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.90 3dxb n ARG 417 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3dxb s GLY 418 N -1.32 1.51 0.07 -0.13 0.00 -1.26 -5.11 107.32 101.09 3dxb s GLY 418 Ca 0.00 -0.46 0.08 0.00 0.00 0.00 0.00 44.72 44.34 3dxb s GLY 418 CO 0.00 -0.28 -0.21 -0.26 0.00 0.00 0.00 173.10 172.35 3dxb s ILE 419 N -2.79 1.68 0.49 0.90 -4.36 -1.26 -4.19 121.20 111.68 3dxb s ILE 419 Ca 0.48 -1.33 -0.19 0.00 -0.26 0.00 0.00 60.65 59.35 3dxb s ILE 419 Cb -0.10 -1.49 -0.08 0.00 1.25 0.00 0.00 42.46 42.04 3dxb s ILE 419 CO 0.46 0.10 1.00 -2.16 0.24 0.00 0.00 174.94 174.58 3dxb s PRO 420 N -1.47 3.89 -0.04 0.37 0.04 -1.26 -4.75 135.00 131.78 3dxb s PRO 420 Ca 0.07 1.17 0.02 0.00 0.04 0.00 0.00 61.00 62.29 3dxb s PRO 420 Cb -0.09 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.34 3dxb s PRO 420 CO 0.03 -0.33 -0.07 0.99 0.04 0.00 0.00 177.00 177.65 3dxb s THR 421 N -2.27 0.69 -0.15 1.26 2.01 -1.15 -0.41 115.64 115.62 3dxb s THR 421 Ca 0.63 -0.25 -0.04 0.00 0.31 0.00 0.00 61.69 62.33 3dxb s THR 421 Cb -0.13 -0.66 -0.03 0.00 0.01 0.00 0.00 72.50 71.69 3dxb s THR 421 CO 0.23 0.24 -0.00 -0.76 -0.69 0.00 0.00 174.62 173.64 3dxb s LEU 422 N 0.59 3.45 -0.10 4.42 1.43 0.12 -1.28 118.68 127.30 3dxb s LEU 422 Ca -0.09 -0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.02 3dxb s LEU 422 Cb -0.12 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.26 3dxb s LEU 422 CO 0.01 0.20 -0.24 -0.76 0.23 0.00 0.00 176.35 175.79 3dxb s LEU 423 N 0.19 2.08 -0.30 1.79 1.02 0.15 -0.56 118.68 123.05 3dxb s LEU 423 Ca 0.00 -0.56 -0.14 0.00 0.02 0.00 0.00 54.13 53.45 3dxb s LEU 423 Cb -0.13 -1.40 -0.03 0.00 0.02 0.00 0.00 46.19 44.65 3dxb s LEU 423 CO 0.02 0.15 0.34 -0.22 0.02 0.00 0.00 176.35 176.66 3dxb s LEU 424 N 0.40 4.22 -0.06 1.79 2.96 0.01 -0.17 118.68 127.82 3dxb s LEU 424 Ca -0.18 0.00 -0.02 0.00 -0.22 0.00 0.00 54.13 53.72 3dxb s LEU 424 Cb -0.18 -2.34 -0.03 0.00 0.50 0.00 0.00 46.19 44.14 3dxb s LEU 424 CO 0.08 -0.24 0.03 -0.36 -1.32 0.00 0.00 176.35 174.54 3dxb s PHE 425 N 2.00 3.21 -0.14 5.38 0.08 0.69 0.58 117.98 129.79 3dxb s PHE 425 Ca 0.12 0.21 -0.05 0.00 0.12 0.00 0.00 56.93 57.34 3dxb s PHE 425 Cb -0.16 -1.78 0.07 0.00 -0.57 0.00 0.00 43.02 40.58 3dxb s PHE 425 CO 0.11 0.51 0.29 0.21 -0.10 0.00 0.00 175.22 176.24 3dxb s LYS 426 N -1.13 0.18 -1.56 0.44 2.20 -0.47 -0.48 119.74 118.92 3dxb s LYS 426 Ca 0.16 0.80 -0.13 0.00 -0.36 0.00 0.00 55.97 56.43 3dxb s LYS 426 Cb -0.12 0.03 0.10 0.00 -1.51 0.00 0.00 37.83 36.33 3dxb s LYS 426 CO 0.05 -0.28 0.85 0.09 -0.36 0.00 0.00 175.35 175.70 3dxb n ASN 427 N 5.33 -3.62 0.00 1.43 3.02 -1.26 -1.58 115.26 118.59 3dxb n ASN 427 Ca -0.07 -0.88 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 3dxb n ASN 427 Cb 0.50 -3.44 0.00 0.00 -0.61 0.00 0.00 39.78 36.23 3dxb n ASN 427 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dxb n GLY 428 N -1.61 0.59 3.65 7.41 0.00 -1.18 -5.02 105.19 109.03 3dxb n GLY 428 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3dxb n GLY 428 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dxb s GLU 429 N -0.24 2.72 -0.51 1.61 2.02 -0.61 -5.01 118.70 118.67 3dxb s GLU 429 Ca 0.00 -0.63 -0.28 0.00 0.02 0.00 0.00 54.97 54.08 3dxb s GLU 429 Cb 0.00 -2.62 0.03 0.00 0.10 0.00 0.00 34.13 31.64 3dxb s GLU 429 CO 0.00 0.62 1.12 0.08 0.02 0.00 0.00 175.26 177.10 3dxb s VAL 430 N -1.04 4.19 0.04 2.63 1.01 -1.26 -1.36 120.40 124.61 3dxb s VAL 430 Ca 0.18 1.00 -0.06 0.00 0.00 0.00 0.00 61.98 63.11 3dxb s VAL 430 Cb -0.11 -4.62 -0.29 0.00 0.00 0.00 0.00 36.38 31.35 3dxb s VAL 430 CO 0.09 -1.10 1.01 0.00 0.00 0.00 0.00 175.10 175.09 3dxb h ALA 431 N 9.32 0.12 -2.67 5.51 0.00 -0.20 -3.49 119.26 127.85 3dxb h ALA 431 Ca -0.24 -0.97 0.06 0.00 0.00 0.00 0.00 54.91 53.77 3dxb h ALA 431 Cb 1.06 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 18.88 3dxb h ALA 431 CO 1.13 0.99 0.35 0.00 0.00 0.00 0.00 179.25 181.72 3dxb s ALA 432 N -2.63 -1.63 0.01 0.00 0.00 -1.19 -5.00 121.76 111.32 3dxb s ALA 432 Ca -0.07 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.40 3dxb s ALA 432 Cb 0.06 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 3dxb s ALA 432 CO 0.88 -0.82 -0.04 0.95 0.00 0.00 0.00 175.76 176.73 3dxb s THR 433 N -3.50 0.30 -0.03 0.00 -4.23 -1.26 -0.81 115.64 106.10 3dxb s THR 433 Ca 0.05 -0.54 -0.01 0.00 -1.18 0.00 0.00 61.69 60.01 3dxb s THR 433 Cb -0.02 -0.33 0.03 0.00 1.34 0.00 0.00 72.50 73.52 3dxb s THR 433 CO -0.07 -0.16 0.04 -0.75 -0.54 0.00 0.00 174.62 173.14 3dxb s LYS 434 N -0.75 -0.04 -0.20 3.99 2.47 0.28 -5.01 119.74 120.48 3dxb s LYS 434 Ca -0.05 0.28 -0.06 0.00 -1.56 0.00 0.00 55.97 54.58 3dxb s LYS 434 Cb -0.05 -0.40 -0.03 0.00 -1.46 0.00 0.00 37.83 35.89 3dxb s LYS 434 CO -0.00 -0.25 0.03 0.08 0.16 0.00 0.00 175.35 175.37 3dxb s VAL 435 N 1.63 4.24 0.00 4.02 1.01 -1.26 0.13 120.40 130.17 3dxb s VAL 435 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 61.98 61.75 3dxb s VAL 435 Cb -0.13 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.33 3dxb s VAL 435 CO -0.03 0.42 0.00 0.61 0.00 0.00 0.00 175.10 176.10 3dxb n GLY 436 N 4.14 0.13 3.75 4.51 0.00 0.45 -5.01 105.19 113.16 3dxb n GLY 436 Ca -0.17 -1.92 -0.31 0.00 0.00 0.00 0.00 46.02 43.62 3dxb n GLY 436 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxb s ALA 437 N -1.38 2.05 -0.15 4.61 0.00 -1.26 -4.78 121.76 120.86 3dxb s ALA 437 Ca 0.00 0.23 -0.25 0.00 0.00 0.00 0.00 51.96 51.94 3dxb s ALA 437 Cb 0.00 -3.27 0.06 0.00 0.00 0.00 0.00 23.12 19.91 3dxb s ALA 437 CO 0.00 -1.96 0.64 -1.17 0.00 0.00 0.00 175.76 173.27 3dxb s LEU 438 N -6.04 -0.47 0.69 0.00 2.96 -1.26 -5.13 118.68 109.43 3dxb s LEU 438 Ca 0.62 0.99 -0.11 0.00 -0.22 0.00 0.00 54.13 55.41 3dxb s LEU 438 Cb -0.18 2.29 0.00 0.00 0.50 0.00 0.00 46.19 48.81 3dxb s LEU 438 CO 0.56 -0.40 1.08 -0.94 -1.32 0.00 0.00 176.35 175.34 3dxb s SER 439 N -0.39 5.61 0.28 3.68 1.04 -1.26 -4.86 113.70 117.79 3dxb s SER 439 Ca -0.05 1.23 0.01 0.00 0.48 0.00 0.00 55.95 57.62 3dxb s SER 439 Cb -0.03 -2.10 0.55 0.00 0.10 0.00 0.00 66.02 64.55 3dxb s SER 439 CO 0.05 -1.25 1.82 0.50 0.98 0.00 0.00 173.24 175.33 3dxb h LYS 440 N -0.59 0.87 -0.23 4.02 3.11 -1.99 -1.59 116.57 120.18 3dxb h LYS 440 Ca -0.45 -0.05 -0.19 0.00 -2.81 0.00 0.00 60.65 57.15 3dxb h LYS 440 Cb 1.24 -0.20 0.00 0.00 -1.00 0.00 0.00 32.23 32.27 3dxb h LYS 440 CO 0.63 0.58 -0.61 0.78 -2.81 0.00 0.00 179.45 178.01 3dxb h GLY 441 N 0.90 0.90 1.46 5.01 0.00 -1.99 -2.33 103.07 107.02 3dxb h GLY 441 Ca 0.49 -1.14 -0.11 0.00 0.00 0.00 0.00 47.33 46.58 3dxb h GLY 441 CO -0.29 1.02 -0.25 1.46 0.00 0.00 0.00 176.54 178.48 3dxb h GLN 442 N 0.58 0.62 -0.29 4.80 4.20 -1.84 -0.30 115.11 122.88 3dxb h GLN 442 Ca -0.01 -0.25 -0.14 0.00 0.06 0.00 0.00 58.65 58.31 3dxb h GLN 442 Cb 1.23 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.97 3dxb h GLN 442 CO 0.13 0.82 -0.37 1.25 -0.67 0.00 0.00 178.83 179.99 3dxb h LEU 443 N 0.54 0.70 -0.86 1.46 5.85 -1.33 -0.04 115.31 121.62 3dxb h LEU 443 Ca 0.07 -0.30 -0.08 0.00 0.84 0.00 0.00 57.88 58.41 3dxb h LEU 443 Cb 0.72 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 3dxb h LEU 443 CO 0.06 1.00 -0.00 0.11 -0.34 0.00 0.00 178.44 179.26 3dxb h LYS 444 N 0.55 0.84 -0.53 1.25 1.57 -1.10 0.40 116.57 119.56 3dxb h LYS 444 Ca 0.05 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.50 3dxb h LYS 444 Cb 0.89 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 3dxb h LYS 444 CO 0.08 0.84 -0.04 0.93 -0.57 0.00 0.00 179.45 180.70 3dxb h GLU 445 N 0.78 0.95 -0.40 3.15 5.08 -0.86 0.15 114.58 123.44 3dxb h GLU 445 Ca 0.15 -0.32 0.02 0.00 -1.00 0.00 0.00 59.36 58.20 3dxb h GLU 445 Cb 0.48 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 3dxb h GLU 445 CO 0.02 0.99 0.24 0.35 -1.00 0.00 0.00 179.01 179.60 3dxb h PHE 446 N 0.83 0.44 -0.41 4.33 3.04 -0.74 -2.17 116.94 122.26 3dxb h PHE 446 Ca 0.14 0.01 -0.15 0.00 3.98 0.00 0.00 57.97 61.96 3dxb h PHE 446 Cb 0.58 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 3dxb h PHE 446 CO 0.04 0.26 -0.31 -0.07 -2.02 0.00 0.00 178.31 176.21 3dxb h LEU 447 N 0.48 0.99 -1.04 0.59 3.38 -0.76 -2.76 115.31 116.19 3dxb h LEU 447 Ca 0.16 -0.44 0.06 0.00 0.09 0.00 0.00 57.88 57.74 3dxb h LEU 447 Cb -0.00 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.41 3dxb h LEU 447 CO -0.07 1.22 0.64 0.44 0.09 0.00 0.00 178.44 180.76 3dxb h ASP 448 N 0.76 1.03 1.76 -0.43 3.45 -0.62 0.32 116.42 122.69 3dxb h ASP 448 Ca 0.08 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.54 3dxb h ASP 448 Cb 0.90 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 3dxb h ASP 448 CO 0.08 0.67 0.00 0.00 -1.57 0.00 0.00 179.24 178.42 3dxb h ALA 449 N 1.46 1.00 0.00 3.45 0.00 -1.25 -3.37 119.26 120.55 3dxb h ALA 449 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 3dxb h ALA 449 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3dxb h ALA 449 CO -0.16 0.00 -0.65 0.09 0.00 0.00 0.00 179.25 178.53 3dxb n ASN 450 N -3.09 3.27 -4.29 0.00 3.02 -1.06 -4.92 115.26 108.19 3dxb n ASN 450 Ca 0.03 -0.10 -0.45 0.00 -0.03 0.00 0.00 54.58 54.03 3dxb n ASN 450 Cb 0.47 0.85 -0.04 0.00 -0.61 0.00 0.00 39.78 40.45 3dxb n ASN 450 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dxb s LEU 451 N -2.35 6.38 0.04 3.41 1.43 0.11 -5.02 118.68 122.68 3dxb s LEU 451 Ca 0.00 -2.38 -0.36 0.00 -1.03 0.00 0.00 54.13 50.37 3dxb s LEU 451 Cb 0.00 -2.16 -0.15 0.00 0.03 0.00 0.00 46.19 43.91 3dxb s LEU 451 CO 0.00 -0.65 1.56 0.00 0.23 0.00 0.00 176.35 177.49 3dxb n ALA 452 N 4.38 0.29 0.00 4.21 0.00 -1.26 -2.01 120.51 126.12 3dxb n ALA 452 Ca 0.03 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.91 3dxb n ALA 452 Cb 0.44 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.62 3dxb n ALA 452 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxb n GLY 453 N 3.36 1.87 0.16 0.00 0.00 -1.26 -4.88 105.19 104.44 3dxb n GLY 453 Ca 0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.23 3dxb n GLY 453 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3dxb h SER 454 N 0.00 0.00 0.43 1.61 4.64 -1.75 -3.07 113.55 115.41 3dxb h SER 454 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 3dxb h SER 454 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3dxb h SER 454 CO 0.00 0.49 -1.69 0.00 -0.87 0.00 0.00 176.83 174.77 3dxb h ALA 455 N 1.51 0.56 -2.09 5.18 0.00 -1.86 -3.47 119.26 119.08 3dxb h ALA 455 Ca -0.00 -1.34 0.00 0.00 0.00 0.00 0.00 54.91 53.57 3dxb h ALA 455 Cb 0.96 0.45 -0.22 0.00 0.00 0.00 0.00 17.79 18.98 3dxb h ALA 455 CO 0.06 1.41 -0.03 1.41 0.00 0.00 0.00 179.25 182.10 3dxb s MET 456 N -2.60 0.66 0.08 0.00 -2.45 -1.17 -5.13 119.30 108.69 3dxb s MET 456 Ca -0.09 1.18 -0.31 0.00 -1.25 0.00 0.00 55.69 55.22 3dxb s MET 456 Cb 0.08 0.13 -0.07 0.00 1.25 0.00 0.00 34.83 36.21 3dxb s MET 456 CO 0.82 -0.15 1.44 -1.21 1.05 0.00 0.00 175.02 176.96 3dxb s GLU 457 N 1.64 4.29 0.23 4.11 0.41 -1.20 -4.14 118.70 124.04 3dxb s GLU 457 Ca -0.10 2.09 0.01 0.00 -0.41 0.00 0.00 54.97 56.56 3dxb s GLU 457 Cb -0.06 -3.38 -0.04 0.00 -1.78 0.00 0.00 34.13 28.88 3dxb s GLU 457 CO -0.19 -0.52 0.40 0.45 -0.49 0.00 0.00 175.26 174.91 3dxb s SER 458 N 1.50 6.36 0.28 -0.19 0.15 -1.26 -4.83 113.70 115.70 3dxb s SER 458 Ca 0.66 0.34 0.26 0.00 0.70 0.00 0.00 55.95 57.90 3dxb s SER 458 Cb -0.36 -1.98 0.85 0.00 -1.71 0.00 0.00 66.02 62.82 3dxb s SER 458 CO 0.29 -0.08 1.75 0.71 1.20 0.00 0.00 173.24 177.12 3dxb h THR 459 N 1.36 0.00 -3.43 6.45 1.35 -1.88 -3.41 112.91 113.35 3dxb h THR 459 Ca -0.49 -0.47 -0.61 0.00 -0.55 0.00 0.00 66.41 64.29 3dxb h THR 459 Cb 1.20 1.39 -0.14 0.00 -1.73 0.00 0.00 68.15 68.88 3dxb h THR 459 CO 0.66 0.00 -0.51 -0.69 -0.25 0.00 0.00 175.52 174.73 3dxb s VAL 460 N -3.22 5.28 -0.03 6.82 1.01 -1.26 -0.98 120.40 128.01 3dxb s VAL 460 Ca 0.08 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.19 3dxb s VAL 460 Cb 0.10 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 3dxb s VAL 460 CO 0.54 0.40 0.06 -0.32 0.00 0.00 0.00 175.10 175.78 3dxb s MET 461 N 0.72 3.06 -0.14 2.72 1.75 0.21 -1.39 119.30 126.23 3dxb s MET 461 Ca 0.07 -0.44 -0.01 0.00 -1.25 0.00 0.00 55.69 54.06 3dxb s MET 461 Cb -0.12 -2.86 -0.02 0.00 2.84 0.00 0.00 34.83 34.67 3dxb s MET 461 CO 0.01 0.67 -0.11 0.54 -0.65 0.00 0.00 175.02 175.49 3dxb s VAL 462 N -1.10 3.22 -0.33 10.11 0.11 0.45 -0.59 120.40 132.28 3dxb s VAL 462 Ca 0.20 -0.60 -0.11 0.00 -2.93 0.00 0.00 61.98 58.54 3dxb s VAL 462 Cb -0.12 -2.37 -0.01 0.00 -1.53 0.00 0.00 36.38 32.35 3dxb s VAL 462 CO 0.10 0.51 0.20 -0.76 -3.33 0.00 0.00 175.10 171.82 3dxb s LEU 463 N 0.45 4.34 0.02 2.54 1.43 0.76 -1.97 118.68 126.25 3dxb s LEU 463 Ca -0.08 -0.47 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 3dxb s LEU 463 Cb -0.15 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 3dxb s LEU 463 CO 0.04 -0.22 -0.00 -0.13 0.23 0.00 0.00 176.35 176.27 3dxb s ARG 464 N 1.67 2.71 -1.43 1.70 0.52 0.15 -1.60 118.95 122.67 3dxb s ARG 464 Ca 0.05 -0.68 0.00 0.00 -0.52 0.00 0.00 55.73 54.59 3dxb s ARG 464 Cb -0.17 -2.63 0.00 0.00 0.52 0.00 0.00 34.95 32.67 3dxb s ARG 464 CO 0.09 0.60 0.00 -1.71 0.02 0.00 0.00 175.30 174.30 3dxb n ASN 465 N 1.19 -4.61 0.12 0.23 5.15 -1.26 -1.06 115.26 115.03 3dxb n ASN 465 Ca -0.14 0.27 -0.24 0.00 -0.60 0.00 0.00 54.58 53.87 3dxb n ASN 465 Cb 0.52 -3.44 -0.16 0.00 -0.53 0.00 0.00 39.78 36.18 3dxb n ASN 465 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 3dxb h MET 466 N 0.00 0.49 -4.07 1.20 4.05 -1.84 -3.42 114.93 111.34 3dxb h MET 466 Ca -0.30 -0.84 -0.13 0.00 -0.28 0.00 0.00 59.70 58.15 3dxb h MET 466 Cb 0.99 0.31 -0.17 0.00 -0.80 0.00 0.00 31.60 31.93 3dxb h MET 466 CO 0.42 1.40 -0.65 0.08 0.23 0.00 0.00 176.91 178.39 3dxb s VAL 467 N -2.60 0.17 0.32 -5.77 1.01 -1.26 -4.92 120.40 107.34 3dxb s VAL 467 Ca -0.11 -1.39 -0.12 0.00 0.00 0.00 0.00 61.98 60.36 3dxb s VAL 467 Cb 0.05 -1.02 -0.08 0.00 0.00 0.00 0.00 36.38 35.32 3dxb s VAL 467 CO 0.92 -0.77 0.69 -1.81 0.00 0.00 0.00 175.10 174.13 3dxb s ASP 468 N -2.34 6.67 0.29 3.32 1.11 -1.26 -4.48 116.67 119.98 3dxb s ASP 468 Ca -0.02 1.13 0.04 0.00 0.18 0.00 0.00 52.55 53.88 3dxb s ASP 468 Cb 0.01 -2.31 0.71 0.00 1.07 0.00 0.00 42.92 42.39 3dxb s ASP 468 CO -0.06 -0.21 1.75 -0.65 1.18 0.00 0.00 175.17 177.17 3dxb h PRO 469 N 2.08 0.62 0.00 8.23 0.11 -1.91 -0.67 132.00 140.46 3dxb h PRO 469 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3dxb h PRO 469 Cb 1.18 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.14 3dxb h PRO 469 CO 0.66 0.41 -0.04 0.87 -0.21 0.00 0.00 178.00 179.69 3dxb h LYS 470 N 0.64 0.00 -0.65 1.05 6.56 -1.96 -2.87 116.57 119.35 3dxb h LYS 470 Ca 0.56 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.15 3dxb h LYS 470 Cb 0.91 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.57 3dxb h LYS 470 CO -0.42 0.04 0.00 -0.25 -2.06 0.00 0.00 179.45 176.77 3dxb n ASP 471 N -3.20 4.33 -4.79 0.86 9.92 -0.26 -4.93 116.55 118.48 3dxb n ASP 471 Ca -0.00 -2.40 -0.39 0.00 -0.53 0.00 0.00 54.79 51.47 3dxb n ASP 471 Cb 0.27 -0.55 -0.06 0.00 -0.64 0.00 0.00 41.12 40.14 3dxb n ASP 471 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3dxb s ILE 472 N -1.82 4.67 0.34 0.53 1.01 -1.08 -4.86 121.20 119.99 3dxb s ILE 472 Ca 0.46 1.38 -0.01 0.00 0.00 0.00 0.00 60.65 62.48 3dxb s ILE 472 Cb 0.30 -3.98 -0.00 0.00 0.01 0.00 0.00 42.46 38.78 3dxb s ILE 472 CO 0.22 0.51 0.45 1.51 0.00 0.00 0.00 174.94 177.63 3dxb s ASP 473 N -0.89 1.07 0.09 3.58 1.47 -1.26 -5.04 116.67 115.69 3dxb s ASP 473 Ca 0.32 -1.55 0.15 0.00 1.18 0.00 0.00 52.55 52.65 3dxb s ASP 473 Cb -0.20 0.65 0.65 0.00 -0.34 0.00 0.00 42.92 43.68 3dxb s ASP 473 CO 0.21 -1.27 1.47 0.47 0.68 0.00 0.00 175.17 176.73 3dxb n ASP 474 N -1.47 0.21 0.05 2.11 8.00 -1.26 -2.30 116.55 121.90 3dxb n ASP 474 Ca 0.02 0.56 -0.05 0.00 0.71 0.00 0.00 54.79 56.04 3dxb n ASP 474 Cb 0.62 -0.60 -0.09 0.00 -0.02 0.00 0.00 41.12 41.02 3dxb n ASP 474 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3dxb h ASP 475 N 0.00 0.00 -0.40 -2.24 5.19 -2.00 -3.41 116.42 113.56 3dxb h ASP 475 Ca 0.00 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.45 3dxb h ASP 475 Cb 0.22 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.69 3dxb h ASP 475 CO 0.00 0.84 0.18 0.25 -3.12 0.00 0.00 179.24 177.39 3dxb h LEU 476 N 0.00 0.24 -0.67 1.55 5.85 -1.86 -1.40 115.31 119.02 3dxb h LEU 476 Ca -0.09 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3dxb h LEU 476 Cb 1.72 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.69 3dxb h LEU 476 CO 0.09 0.18 0.40 -0.08 -0.34 0.00 0.00 178.44 178.69 3dxb h GLU 477 N 0.37 0.74 -0.23 1.25 4.81 -1.79 -0.77 114.58 118.96 3dxb h GLU 477 Ca 0.17 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.24 3dxb h GLU 477 Cb 0.11 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3dxb h GLU 477 CO -0.14 0.49 -0.36 0.78 -0.73 0.00 0.00 179.01 179.05 3dxb h GLY 478 N 0.76 0.55 1.08 1.92 0.00 -1.70 -2.59 103.07 103.09 3dxb h GLY 478 Ca 0.29 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.99 3dxb h GLY 478 CO -0.14 0.46 -0.14 0.83 0.00 0.00 0.00 176.54 177.55 3dxb h GLU 479 N 0.43 0.99 -0.19 4.80 5.08 -0.73 -2.50 114.58 122.45 3dxb h GLU 479 Ca 0.05 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 3dxb h GLU 479 Cb 0.82 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.01 3dxb h GLU 479 CO 0.07 1.06 0.09 0.28 -1.00 0.00 0.00 179.01 179.50 3dxb h VAL 480 N 0.85 1.15 -0.03 3.13 2.07 -1.09 -1.26 116.25 121.06 3dxb h VAL 480 Ca 0.13 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.15 3dxb h VAL 480 Cb 0.71 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3dxb h VAL 480 CO 0.05 0.14 -0.30 0.71 0.02 0.00 0.00 177.57 178.20 3dxb h THR 481 N 0.17 1.23 -0.14 2.57 1.35 -1.45 0.20 112.91 116.83 3dxb h THR 481 Ca 0.07 -1.08 -0.06 0.00 -0.55 0.00 0.00 66.41 64.79 3dxb h THR 481 Cb 0.15 1.54 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3dxb h THR 481 CO -0.01 0.31 -0.14 -0.08 -0.25 0.00 0.00 175.52 175.35 3dxb h GLU 482 N 0.05 0.34 -0.33 4.72 4.81 -1.36 -1.20 114.58 121.62 3dxb h GLU 482 Ca 0.01 -0.18 -0.06 0.00 -0.13 0.00 0.00 59.36 58.99 3dxb h GLU 482 Cb 0.56 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3dxb h GLU 482 CO 0.04 0.73 -0.07 1.49 -0.73 0.00 0.00 179.01 180.47 3dxb h GLU 483 N -0.04 0.54 0.00 1.92 4.81 -0.79 -2.92 114.58 118.10 3dxb h GLU 483 Ca 0.02 -0.14 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3dxb h GLU 483 Cb 0.68 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.99 3dxb h GLU 483 CO 0.04 0.62 -0.53 0.00 -0.73 0.00 0.00 179.01 178.40 3dxb h GLY 485 N 4.71 0.00 2.00 0.00 0.00 -1.00 -2.14 103.07 106.63 3dxb h GLY 485 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3dxb h GLY 485 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.04 3dxb h LYS 486 N 0.00 0.00 0.00 4.80 1.57 -1.70 -3.02 116.57 118.22 3dxb h LYS 486 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dxb h LYS 486 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 3dxb h LYS 486 CO 0.00 0.00 -1.37 1.19 -0.57 0.00 0.00 179.45 178.70 3dxb n PHE 487 N -3.93 0.00 -3.71 -1.35 3.72 -0.81 -5.08 117.46 106.31 3dxb n PHE 487 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3dxb n PHE 487 Cb 0.08 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 3dxb n PHE 487 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dxb n GLY 488 N 1.41 -1.10 3.67 1.37 0.00 -1.14 -4.61 105.19 104.80 3dxb n GLY 488 Ca 0.00 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 3dxb n GLY 488 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dxb s ALA 489 N -1.00 3.58 -0.38 4.61 0.00 -1.26 -4.33 121.76 122.97 3dxb s ALA 489 Ca 0.00 0.62 -0.18 0.00 0.00 0.00 0.00 51.96 52.40 3dxb s ALA 489 Cb 0.00 -3.58 0.01 0.00 0.00 0.00 0.00 23.12 19.54 3dxb s ALA 489 CO 0.00 -0.99 0.50 0.08 0.00 0.00 0.00 175.76 175.35 3dxb s VAL 490 N 2.87 5.02 0.06 0.00 1.01 -1.26 -1.88 120.40 126.23 3dxb s VAL 490 Ca 0.58 0.07 -0.18 0.00 0.00 0.00 0.00 61.98 62.44 3dxb s VAL 490 Cb -0.25 -4.01 -0.12 0.00 0.00 0.00 0.00 36.38 32.00 3dxb s VAL 490 CO 0.20 -0.33 1.37 0.78 0.00 0.00 0.00 175.10 177.12 3dxb h ASN 491 N 8.61 0.54 -3.09 3.32 4.21 -0.80 -3.48 115.58 124.90 3dxb h ASN 491 Ca -0.27 -0.49 0.04 0.00 1.21 0.00 0.00 56.30 56.79 3dxb h ASN 491 Cb 1.12 -0.15 -0.24 0.00 -1.12 0.00 0.00 38.32 37.93 3dxb h ASN 491 CO 0.79 0.92 0.21 -0.60 -1.29 0.00 0.00 177.43 177.46 3dxb s ARG 492 N -4.28 0.61 -0.12 0.81 6.06 -1.10 -5.02 118.95 115.92 3dxb s ARG 492 Ca -0.13 0.93 0.02 0.00 -2.50 0.00 0.00 55.73 54.04 3dxb s ARG 492 Cb 0.07 0.19 -0.01 0.00 0.06 0.00 0.00 34.95 35.26 3dxb s ARG 492 CO 0.79 -0.11 -0.19 0.08 -2.50 0.00 0.00 175.30 173.37 3dxb s VAL 493 N 1.09 2.51 -0.18 7.11 1.01 -1.26 -0.91 120.40 129.78 3dxb s VAL 493 Ca -0.06 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3dxb s VAL 493 Cb -0.05 -2.01 0.02 0.00 0.00 0.00 0.00 36.38 34.34 3dxb s VAL 493 CO -0.12 0.54 -0.19 -0.63 0.00 0.00 0.00 175.10 174.70 3dxb s ILE 494 N 0.37 1.97 -0.63 2.22 1.01 0.28 -4.97 121.20 121.45 3dxb s ILE 494 Ca -0.15 -0.90 -0.22 0.00 0.00 0.00 0.00 60.65 59.38 3dxb s ILE 494 Cb -0.17 -1.80 0.07 0.00 0.01 0.00 0.00 42.46 40.57 3dxb s ILE 494 CO 0.07 0.51 0.92 -0.63 0.00 0.00 0.00 174.94 175.81 3dxb s ILE 495 N 1.32 4.40 -0.19 2.92 -1.09 -1.26 -0.67 121.20 126.62 3dxb s ILE 495 Ca 0.05 -0.33 -0.06 0.00 -2.23 0.00 0.00 60.65 58.08 3dxb s ILE 495 Cb -0.13 -4.63 -0.03 0.00 -1.58 0.00 0.00 42.46 36.09 3dxb s ILE 495 CO -0.12 -1.35 0.02 -0.47 -1.23 0.00 0.00 174.94 171.79 3dxb s TYR 496 N 3.86 3.10 -0.23 3.97 5.04 0.08 -4.99 117.35 128.18 3dxb s TYR 496 Ca 0.22 -0.26 -0.08 0.00 -2.44 0.00 0.00 57.07 54.50 3dxb s TYR 496 Cb -0.17 -2.09 -0.04 0.00 0.35 0.00 0.00 41.96 40.01 3dxb s TYR 496 CO 0.11 -0.11 0.10 -0.65 -1.34 0.00 0.00 175.55 173.67 3dxb s GLN 497 N 0.80 3.90 -0.04 4.97 -0.21 -1.26 -0.51 119.66 127.31 3dxb s GLN 497 Ca 0.02 -0.37 0.05 0.00 0.02 0.00 0.00 55.36 55.08 3dxb s GLN 497 Cb -0.14 -3.37 -0.01 0.00 1.00 0.00 0.00 33.01 30.49 3dxb s GLN 497 CO 0.02 0.04 -0.20 -2.00 -2.12 0.00 0.00 175.29 171.03 3dxb s GLU 498 N 1.05 1.90 -0.05 2.91 2.12 -0.39 -4.97 118.70 121.28 3dxb s GLU 498 Ca 0.05 -0.70 -0.30 0.00 0.36 0.00 0.00 54.97 54.38 3dxb s GLU 498 Cb -0.14 -1.69 -0.02 0.00 0.26 0.00 0.00 34.13 32.54 3dxb s GLU 498 CO 0.04 0.33 0.99 0.21 -0.54 0.00 0.00 175.26 176.28 3dxb s LYS 499 N -0.15 4.49 -1.18 4.30 2.20 -1.26 -0.55 119.74 127.59 3dxb s LYS 499 Ca -0.00 1.40 -0.11 0.00 -0.36 0.00 0.00 55.97 56.89 3dxb s LYS 499 Cb -0.11 -3.50 0.22 0.00 -1.51 0.00 0.00 37.83 32.93 3dxb s LYS 499 CO 0.02 -0.17 1.35 1.04 -0.36 0.00 0.00 175.35 177.23 3dxb n GLN 500 N 4.41 3.50 0.00 4.03 1.13 0.12 -4.92 117.38 125.66 3dxb n GLN 500 Ca 0.07 -4.09 0.00 0.00 -1.94 0.00 0.00 57.00 51.05 3dxb n GLN 500 Cb 0.50 -2.83 0.00 0.00 0.11 0.00 0.00 30.24 28.02 3dxb n GLN 500 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dxb n GLY 501 N 3.36 3.07 0.14 1.08 0.00 -1.26 -4.38 105.19 107.20 3dxb n GLY 501 Ca 0.32 -2.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.22 3dxb n GLY 501 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3dxb h GLU 502 N 0.00 0.27 -6.98 1.61 4.11 -2.02 -3.46 114.58 108.11 3dxb h GLU 502 Ca 0.00 -0.29 -0.51 0.00 0.07 0.00 0.00 59.36 58.63 3dxb h GLU 502 Cb 0.00 0.08 0.06 0.00 0.50 0.00 0.00 28.75 29.40 3dxb h GLU 502 CO 0.00 1.00 0.50 -1.21 0.07 0.00 0.00 179.01 179.37 3dxb s GLU 503 N -3.26 3.83 0.39 1.06 8.01 -1.26 -4.94 118.70 122.53 3dxb s GLU 503 Ca -0.04 1.84 0.07 0.00 0.01 0.00 0.00 54.97 56.84 3dxb s GLU 503 Cb 0.10 -2.50 0.79 0.00 -4.31 0.00 0.00 34.13 28.21 3dxb s GLU 503 CO 0.84 -0.51 2.00 1.49 0.01 0.00 0.00 175.26 179.09 3dxb h GLU 504 N 2.23 0.50 -0.47 1.61 4.57 -2.01 -1.85 114.58 119.16 3dxb h GLU 504 Ca -0.49 -0.06 0.14 0.00 -1.18 0.00 0.00 59.36 57.77 3dxb h GLU 504 Cb 1.25 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 29.72 3dxb h GLU 504 CO 0.61 0.41 0.53 -0.44 -1.18 0.00 0.00 179.01 178.94 3dxb h ASP 505 N 0.50 0.00 -1.76 1.04 3.32 -1.97 -3.46 116.42 114.09 3dxb h ASP 505 Ca 0.13 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.52 3dxb h ASP 505 Cb 0.08 0.00 0.09 0.00 0.22 0.00 0.00 39.33 39.72 3dxb h ASP 505 CO -0.02 0.00 0.06 0.00 -1.72 0.00 0.00 179.24 177.56 3dxb n ALA 506 N -2.31 -1.38 -1.77 3.45 0.00 -0.70 -4.92 120.51 112.87 3dxb n ALA 506 Ca 0.09 0.46 -0.41 0.00 0.00 0.00 0.00 53.44 53.58 3dxb n ALA 506 Cb 0.72 -1.91 -0.01 0.00 0.00 0.00 0.00 19.45 18.24 3dxb n ALA 506 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3dxb s GLU 507 N -0.70 4.25 -0.21 0.00 -1.05 -1.26 -4.76 118.70 114.97 3dxb s GLU 507 Ca 0.70 2.32 -0.11 0.00 -0.15 0.00 0.00 54.97 57.72 3dxb s GLU 507 Cb -0.88 -3.01 -0.05 0.00 -0.44 0.00 0.00 34.13 29.75 3dxb s GLU 507 CO 0.55 -0.32 0.20 0.42 0.95 0.00 0.00 175.26 177.06 3dxb s ILE 508 N -1.15 5.35 0.46 1.83 1.01 -1.26 -0.70 121.20 126.74 3dxb s ILE 508 Ca 0.51 0.31 0.06 0.00 0.00 0.00 0.00 60.65 61.53 3dxb s ILE 508 Cb -0.42 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.50 3dxb s ILE 508 CO 0.56 0.38 0.25 0.27 0.00 0.00 0.00 174.94 176.39 3dxb s ILE 509 N 0.74 2.04 -0.15 2.92 -4.36 0.29 -4.69 121.20 118.00 3dxb s ILE 509 Ca 0.11 -1.63 0.02 0.00 -0.26 0.00 0.00 60.65 58.89 3dxb s ILE 509 Cb -0.13 -2.67 0.01 0.00 1.25 0.00 0.00 42.46 40.93 3dxb s ILE 509 CO 0.02 0.00 -0.21 -0.69 0.24 0.00 0.00 174.94 174.31 3dxb s VAL 510 N -2.66 1.99 -0.18 8.37 1.01 -1.26 -1.26 120.40 126.41 3dxb s VAL 510 Ca 0.36 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 61.38 3dxb s VAL 510 Cb 0.01 -1.78 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3dxb s VAL 510 CO 0.21 0.53 -0.05 -0.54 0.00 0.00 0.00 175.10 175.25 3dxb s LYS 511 N 0.96 3.51 -0.40 2.72 1.02 0.34 -4.27 119.74 123.61 3dxb s LYS 511 Ca -0.04 -0.59 -0.10 0.00 0.02 0.00 0.00 55.97 55.26 3dxb s LYS 511 Cb -0.15 -2.92 0.05 0.00 -0.52 0.00 0.00 37.83 34.30 3dxb s LYS 511 CO -0.05 0.05 0.24 0.42 -0.92 0.00 0.00 175.35 175.09 3dxb s ILE 512 N 0.84 4.46 -0.09 2.17 1.01 -0.63 -0.75 121.20 128.22 3dxb s ILE 512 Ca -0.01 -1.11 -0.23 0.00 0.00 0.00 0.00 60.65 59.30 3dxb s ILE 512 Cb -0.15 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 3dxb s ILE 512 CO 0.01 -0.37 0.67 -0.36 0.00 0.00 0.00 174.94 174.89 3dxb s PHE 513 N 1.50 3.54 -0.24 3.97 0.08 0.15 -0.17 117.98 126.81 3dxb s PHE 513 Ca 0.02 1.17 0.01 0.00 0.12 0.00 0.00 56.93 58.26 3dxb s PHE 513 Cb -0.21 -2.78 0.06 0.00 -0.57 0.00 0.00 43.02 39.52 3dxb s PHE 513 CO 0.05 0.06 -0.07 0.08 -0.10 0.00 0.00 175.22 175.24 3dxb s VAL 514 N 0.93 1.68 -0.23 -0.44 1.01 0.25 -0.56 120.40 123.04 3dxb s VAL 514 Ca 0.35 -1.32 -0.13 0.00 0.00 0.00 0.00 61.98 60.88 3dxb s VAL 514 Cb -0.17 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3dxb s VAL 514 CO 0.16 -0.09 0.27 -0.70 0.00 0.00 0.00 175.10 174.75 3dxb s GLU 515 N 1.33 4.10 0.51 2.72 2.12 -0.08 -0.62 118.70 128.77 3dxb s GLU 515 Ca -0.07 -0.06 0.08 0.00 0.36 0.00 0.00 54.97 55.28 3dxb s GLU 515 Cb -0.19 -3.55 0.05 0.00 0.26 0.00 0.00 34.13 30.69 3dxb s GLU 515 CO -0.06 -0.02 0.69 -0.06 -0.54 0.00 0.00 175.26 175.28 3dxb s PHE 516 N 1.27 2.16 0.19 5.30 0.40 -0.15 -0.14 117.98 127.01 3dxb s PHE 516 Ca 0.13 -0.51 0.05 0.00 -0.60 0.00 0.00 56.93 55.99 3dxb s PHE 516 Cb -0.14 -2.35 0.09 0.00 0.51 0.00 0.00 43.02 41.12 3dxb s PHE 516 CO 0.07 -0.81 1.44 0.66 0.70 0.00 0.00 175.22 177.28 3dxb h SER 517 N 0.36 0.18 -4.88 1.36 4.64 -1.68 -3.42 113.55 110.10 3dxb h SER 517 Ca -0.36 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 60.72 3dxb h SER 517 Cb 1.28 -0.05 -0.20 0.00 -0.31 0.00 0.00 62.40 63.12 3dxb h SER 517 CO 0.43 0.90 -0.24 -0.51 -0.87 0.00 0.00 176.83 176.54 3dxb s ILE 518 N -3.33 0.05 0.60 0.95 2.07 -1.26 -5.04 121.20 115.23 3dxb s ILE 518 Ca -0.02 -0.39 0.30 0.00 -1.41 0.00 0.00 60.65 59.12 3dxb s ILE 518 Cb 0.11 -0.63 0.36 0.00 0.13 0.00 0.00 42.46 42.43 3dxb s ILE 518 CO 0.81 -0.22 2.11 0.00 -1.91 0.00 0.00 174.94 175.74 3dxb h ALA 519 N 3.97 1.72 -0.49 1.50 0.00 -1.88 -2.06 119.26 122.01 3dxb h ALA 519 Ca -0.29 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 3dxb h ALA 519 Cb 1.17 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3dxb h ALA 519 CO 0.39 -0.27 -0.09 0.66 0.00 0.00 0.00 179.25 179.94 3dxb h SER 520 N 0.00 0.88 -0.40 0.00 4.64 -1.96 -1.92 113.55 114.78 3dxb h SER 520 Ca 0.07 -0.27 -0.08 0.00 -0.47 0.00 0.00 61.79 61.04 3dxb h SER 520 Cb 0.45 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3dxb h SER 520 CO -0.00 0.99 -0.08 -0.33 -0.87 0.00 0.00 176.83 176.54 3dxb h GLU 521 N 0.80 0.76 -0.69 4.77 5.08 -1.62 -2.69 114.58 120.99 3dxb h GLU 521 Ca 0.13 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3dxb h GLU 521 Cb 0.60 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 3dxb h GLU 521 CO 0.04 0.89 0.44 1.15 -1.00 0.00 0.00 179.01 180.52 3dxb h THR 522 N 0.58 1.19 -0.62 1.13 2.02 -1.54 -1.44 112.91 114.22 3dxb h THR 522 Ca 0.10 -0.37 0.01 0.00 0.77 0.00 0.00 66.41 66.92 3dxb h THR 522 Cb 0.59 0.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.18 3dxb h THR 522 CO 0.04 0.19 0.41 -0.74 0.37 0.00 0.00 175.52 175.78 3dxb h HIS 523 N 0.93 0.77 -0.53 3.16 -0.00 -1.29 0.42 115.15 118.62 3dxb h HIS 523 Ca 0.25 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.65 3dxb h HIS 523 Cb -0.07 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.05 3dxb h HIS 523 CO -0.02 0.48 0.34 0.87 -0.00 0.00 0.00 177.93 179.60 3dxb h LYS 524 N 0.83 0.67 -0.30 5.26 1.57 -1.13 -1.90 116.57 121.57 3dxb h LYS 524 Ca 0.23 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3dxb h LYS 524 Cb -0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 3dxb h LYS 524 CO -0.05 0.44 0.11 0.00 -0.57 0.00 0.00 179.45 179.38 3dxb h ALA 525 N 1.21 0.39 -0.45 3.86 0.00 -0.75 -2.04 119.26 121.47 3dxb h ALA 525 Ca 0.20 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3dxb h ALA 525 Cb -0.04 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3dxb h ALA 525 CO -0.06 -0.01 0.22 0.82 0.00 0.00 0.00 179.25 180.22 3dxb h ILE 526 N 0.33 1.18 -0.52 0.00 2.04 -0.88 -0.71 117.51 118.95 3dxb h ILE 526 Ca 0.10 -0.52 0.08 0.00 1.00 0.00 0.00 64.86 65.52 3dxb h ILE 526 Cb 0.20 0.69 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 3dxb h ILE 526 CO -0.01 0.20 0.17 1.56 0.00 0.00 0.00 178.15 180.07 3dxb h GLN 527 N 0.59 0.33 0.00 2.37 7.50 -1.25 -1.18 115.11 123.47 3dxb h GLN 527 Ca 0.16 -0.02 -0.19 0.00 0.50 0.00 0.00 58.65 59.10 3dxb h GLN 527 Cb 0.12 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 27.54 3dxb h GLN 527 CO -0.02 0.22 -0.93 0.00 -1.50 0.00 0.00 178.83 176.60 3dxb h ALA 528 N 1.36 0.45 0.00 3.87 0.00 -1.14 -3.36 119.26 120.44 3dxb h ALA 528 Ca 0.25 -0.84 -0.31 0.00 0.00 0.00 0.00 54.91 54.02 3dxb h ALA 528 Cb 0.29 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3dxb h ALA 528 CO -0.27 1.12 -1.96 1.28 0.00 0.00 0.00 179.25 179.43 3dxb n LEU 529 N -3.30 0.52 -4.69 0.00 4.32 -0.29 -4.82 117.00 108.73 3dxb n LEU 529 Ca -0.01 0.25 -0.42 0.00 -0.02 0.00 0.00 56.01 55.81 3dxb n LEU 529 Cb 0.90 0.29 -0.03 0.00 -1.62 0.00 0.00 43.42 42.96 3dxb n LEU 529 CO 0.45 0.41 1.34 0.21 -1.22 0.00 0.00 177.39 178.58 3dxb s ASN 530 N -5.81 6.57 0.00 -1.43 2.47 -0.45 -1.86 114.94 114.43 3dxb s ASN 530 Ca -0.07 2.55 0.00 0.00 0.42 0.00 0.00 52.86 55.76 3dxb s ASN 530 Cb 0.07 -2.57 0.00 0.00 -1.45 0.00 0.00 41.25 37.31 3dxb s ASN 530 CO 0.83 -0.90 0.00 0.61 -3.72 0.00 0.00 177.10 173.92 3dxb n GLY 531 N 4.01 0.70 3.84 1.21 0.00 0.02 -4.94 105.19 110.03 3dxb n GLY 531 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 3dxb n GLY 531 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dxb s ARG 532 N -0.21 4.03 -0.16 1.61 3.52 -0.78 -4.66 118.95 122.31 3dxb s ARG 532 Ca 0.00 0.65 -0.16 0.00 -0.13 0.00 0.00 55.73 56.10 3dxb s ARG 532 Cb 0.00 -2.59 -0.04 0.00 -1.56 0.00 0.00 34.95 30.75 3dxb s ARG 532 CO 0.00 0.25 0.37 -1.58 -0.81 0.00 0.00 175.30 173.53 3dxb s TRP 533 N -1.82 3.46 -0.35 5.12 0.52 -1.26 -0.31 118.94 124.29 3dxb s TRP 533 Ca 0.50 0.69 0.01 0.00 0.02 0.00 0.00 56.10 57.32 3dxb s TRP 533 Cb -0.12 -2.44 0.11 0.00 -1.15 0.00 0.00 33.47 29.86 3dxb s TRP 533 CO 0.19 0.17 0.11 -0.06 0.02 0.00 0.00 176.95 177.38 3dxb s PHE 534 N 0.68 2.51 -1.21 -1.98 0.40 0.11 -4.90 117.98 113.59 3dxb s PHE 534 Ca 0.20 -2.33 -0.20 0.00 -0.60 0.00 0.00 56.93 53.99 3dxb s PHE 534 Cb -0.14 -2.20 0.00 0.00 0.51 0.00 0.00 43.02 41.19 3dxb s PHE 534 CO 0.07 -0.88 0.70 0.00 0.70 0.00 0.00 175.22 175.80 3dxb n ALA 535 N 4.37 -2.46 0.00 5.36 0.00 -1.26 -2.70 120.51 123.82 3dxb n ALA 535 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.14 3dxb n ALA 535 Cb 0.40 -3.33 0.00 0.00 0.00 0.00 0.00 19.45 16.52 3dxb n ALA 535 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dxb n GLY 536 N -1.83 1.10 3.28 0.00 0.00 -1.26 -5.05 105.19 101.42 3dxb n GLY 536 Ca -0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 3dxb n GLY 536 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dxb s ARG 537 N -0.90 2.79 -0.34 1.61 0.52 -1.10 -5.10 118.95 116.43 3dxb s ARG 537 Ca 0.00 -0.86 -0.17 0.00 -0.52 0.00 0.00 55.73 54.18 3dxb s ARG 537 Cb 0.00 -2.27 -0.01 0.00 0.52 0.00 0.00 34.95 33.19 3dxb s ARG 537 CO 0.00 0.32 0.46 0.21 0.02 0.00 0.00 175.30 176.31 3dxb s LYS 538 N 0.01 3.64 0.29 3.54 2.20 -1.26 0.05 119.74 128.21 3dxb s LYS 538 Ca -0.08 -0.21 -0.14 0.00 -0.36 0.00 0.00 55.97 55.19 3dxb s LYS 538 Cb -0.15 -3.79 -0.08 0.00 -1.51 0.00 0.00 37.83 32.29 3dxb s LYS 538 CO 0.05 -0.58 0.68 0.14 -0.36 0.00 0.00 175.35 175.28 3dxb s VAL 539 N 2.27 4.75 -0.25 4.02 -7.23 0.57 -4.87 120.40 119.67 3dxb s VAL 539 Ca 0.17 0.82 -0.07 0.00 -1.81 0.00 0.00 61.98 61.08 3dxb s VAL 539 Cb -0.16 -3.62 -0.03 0.00 0.56 0.00 0.00 36.38 33.13 3dxb s VAL 539 CO 0.12 -0.13 0.07 -0.69 -0.31 0.00 0.00 175.10 174.16 3dxb s VAL 540 N -1.91 4.30 -0.17 1.32 1.01 -0.22 -0.80 120.40 123.93 3dxb s VAL 540 Ca 0.51 -0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.32 3dxb s VAL 540 Cb -0.11 -3.01 0.01 0.00 0.00 0.00 0.00 36.38 33.27 3dxb s VAL 540 CO 0.19 0.34 -0.17 0.00 0.00 0.00 0.00 175.10 175.46 3dxb s ALA 541 N 1.58 2.44 0.07 5.51 0.00 -1.26 0.30 121.76 130.40 3dxb s ALA 541 Ca 0.06 -1.13 -0.02 0.00 0.00 0.00 0.00 51.96 50.87 3dxb s ALA 541 Cb -0.15 -1.23 -0.03 0.00 0.00 0.00 0.00 23.12 21.71 3dxb s ALA 541 CO 0.03 -0.19 0.03 -1.21 0.00 0.00 0.00 175.76 174.43 3dxb s GLU 542 N 1.06 0.72 0.45 0.00 2.02 -0.83 -4.63 118.70 117.49 3dxb s GLU 542 Ca -0.01 -1.22 -0.25 0.00 0.02 0.00 0.00 54.97 53.52 3dxb s GLU 542 Cb -0.14 0.24 -0.08 0.00 0.10 0.00 0.00 34.13 34.25 3dxb s GLU 542 CO -0.05 -0.17 1.34 0.14 0.02 0.00 0.00 175.26 176.53 3dxb s VAL 543 N -3.94 2.39 -0.03 2.63 -7.23 -1.26 -0.41 120.40 112.56 3dxb s VAL 543 Ca 0.10 0.33 0.07 0.00 -1.81 0.00 0.00 61.98 60.68 3dxb s VAL 543 Cb 0.07 -3.19 -0.02 0.00 0.56 0.00 0.00 36.38 33.80 3dxb s VAL 543 CO -0.08 0.03 -0.24 -0.47 -0.31 0.00 0.00 175.10 174.04 3dxb s TYR 544 N -1.28 2.41 -0.13 2.82 5.04 -0.48 -4.70 117.35 121.03 3dxb s TYR 544 Ca 0.62 -0.43 -0.36 0.00 -2.44 0.00 0.00 57.07 54.46 3dxb s TYR 544 Cb -0.39 -1.54 -0.13 0.00 0.35 0.00 0.00 41.96 40.25 3dxb s TYR 544 CO 0.49 -0.02 1.80 -3.47 -1.34 0.00 0.00 175.55 173.01 3dxb n ASP 545 N 2.49 3.02 -0.23 4.32 2.03 -1.26 -4.47 116.55 122.44 3dxb n ASP 545 Ca -0.16 1.02 -0.07 0.00 0.52 0.00 0.00 54.79 56.09 3dxb n ASP 545 Cb 0.51 -1.29 0.04 0.00 -0.72 0.00 0.00 41.12 39.66 3dxb n ASP 545 CO 0.00 0.00 0.00 -0.61 -1.92 0.00 0.00 177.20 174.67 3dxb h GLN 546 N 8.17 0.98 -0.66 -0.67 4.15 -1.92 -2.46 115.11 122.71 3dxb h GLN 546 Ca -0.48 -0.19 -0.04 0.00 0.77 0.00 0.00 58.65 58.71 3dxb h GLN 546 Cb 1.29 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 28.80 3dxb h GLN 546 CO 0.94 0.83 0.24 1.49 -1.93 0.00 0.00 178.83 180.41 3dxb h GLU 547 N 0.92 1.00 -0.10 1.69 4.81 -1.98 0.24 114.58 121.16 3dxb h GLU 547 Ca 0.21 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3dxb h GLU 547 Cb 0.23 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 3dxb h GLU 547 CO -0.01 0.85 -0.07 0.00 -0.73 0.00 0.00 179.01 179.05 3dxb h ARG 548 N 0.94 -0.07 -0.47 1.92 3.08 -1.82 -1.80 114.38 116.15 3dxb h ARG 548 Ca 0.22 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.26 3dxb h ARG 548 Cb 0.24 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3dxb h ARG 548 CO -0.01 -0.05 0.27 0.35 -1.07 0.00 0.00 179.97 179.46 3dxb h PHE 549 N -0.07 0.64 -0.02 3.04 3.57 -1.05 0.51 116.94 123.56 3dxb h PHE 549 Ca 0.06 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.56 3dxb h PHE 549 Cb 0.16 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.70 3dxb h PHE 549 CO -0.19 0.47 0.02 -0.44 -2.23 0.00 0.00 178.31 175.95 3dxb h ASP 550 N 0.63 0.00 -0.58 0.41 3.32 -0.42 -1.80 116.42 117.98 3dxb h ASP 550 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 3dxb h ASP 550 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3dxb h ASP 550 CO -0.03 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.08 3dxb n ASN 551 N -4.52 5.24 -2.20 6.45 3.02 -0.69 -4.94 115.26 117.63 3dxb n ASN 551 Ca -0.02 -2.73 -0.21 0.00 -0.03 0.00 0.00 54.58 51.59 3dxb n ASN 551 Cb 0.11 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.61 3dxb n ASN 551 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3dxb n SER 552 N 0.78 -5.81 -4.36 6.41 7.64 -0.68 -4.96 113.62 112.64 3dxb n SER 552 Ca 0.26 0.10 -0.45 0.00 1.01 0.00 0.00 58.87 59.79 3dxb n SER 552 Cb 1.06 -4.89 -0.04 0.00 -1.01 0.00 0.00 64.21 59.33 3dxb n SER 552 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3dxb s ASP 553 N -2.22 6.23 -0.18 6.43 -1.08 0.17 -4.88 116.67 121.14 3dxb s ASP 553 Ca 0.00 -1.60 0.16 0.00 -0.52 0.00 0.00 52.55 50.59 3dxb s ASP 553 Cb 0.00 -2.28 0.63 0.00 -1.46 0.00 0.00 42.92 39.81 3dxb s ASP 553 CO 0.00 -1.03 1.54 0.18 0.52 0.00 0.00 175.17 176.37 3dxb n LEU 554 N 6.00 4.52 -0.01 -1.34 4.77 -1.26 -3.62 117.00 126.06 3dxb n LEU 554 Ca -0.08 -2.90 0.12 0.00 -0.03 0.00 0.00 56.01 53.12 3dxb n LEU 554 Cb 0.42 -0.58 0.22 0.00 -2.33 0.00 0.00 43.42 41.16 3dxb n LEU 554 CO 0.56 0.67 0.41 -1.54 -1.33 0.00 0.00 177.39 176.17 3dxb n SER 555 N 0.04 0.57 -0.61 -1.43 3.41 -1.26 -5.07 113.62 109.27 3dxb n SER 555 Ca 0.23 -0.35 0.13 0.00 -0.26 0.00 0.00 58.87 58.63 3dxb n SER 555 Cb 0.97 0.32 0.41 0.00 -0.26 0.00 0.00 64.21 65.65 3dxb n SER 555 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88