#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dxb n LYS 347 N 0.00 0.00 -2.67 -0.67 4.01 -1.26 -4.94 118.16 112.63 3dxb n LYS 347 Ca 0.00 0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.38 3dxb n LYS 347 Cb 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.49 3dxb n LYS 347 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 3dxb s ILE 348 N 0.00 4.71 -0.21 -0.18 -1.09 -1.26 -4.51 121.20 118.67 3dxb s ILE 348 Ca 0.00 1.97 -0.23 0.00 -2.23 0.00 0.00 60.65 60.16 3dxb s ILE 348 Cb 0.00 -4.26 -0.02 0.00 -1.58 0.00 0.00 42.46 36.60 3dxb s ILE 348 CO 0.00 0.17 0.73 -0.63 -1.23 0.00 0.00 174.94 173.98 3dxb s ILE 349 N 0.93 4.93 -0.42 2.92 1.01 0.04 -4.98 121.20 125.63 3dxb s ILE 349 Ca 0.53 1.40 -0.17 0.00 0.00 0.00 0.00 60.65 62.40 3dxb s ILE 349 Cb -0.22 -4.04 0.02 0.00 0.01 0.00 0.00 42.46 38.23 3dxb s ILE 349 CO 0.28 0.03 0.43 -1.00 0.00 0.00 0.00 174.94 174.69 3dxb s HIS 350 N 2.30 3.17 0.34 3.97 3.76 -1.26 -0.30 115.29 127.27 3dxb s HIS 350 Ca 0.32 -0.34 -0.08 0.00 -0.15 0.00 0.00 55.06 54.81 3dxb s HIS 350 Cb -0.16 -2.88 -0.06 0.00 1.11 0.00 0.00 32.58 30.59 3dxb s HIS 350 CO 0.10 -0.68 0.67 -0.51 -0.85 0.00 0.00 174.74 173.46 3dxb s LEU 351 N 2.14 3.95 0.34 0.89 1.43 0.76 -4.95 118.68 123.24 3dxb s LEU 351 Ca 0.12 0.95 0.04 0.00 -1.03 0.00 0.00 54.13 54.22 3dxb s LEU 351 Cb -0.17 -3.80 -0.06 0.00 0.03 0.00 0.00 46.19 42.19 3dxb s LEU 351 CO 0.13 -0.29 0.05 0.42 0.23 0.00 0.00 176.35 176.90 3dxb s THR 352 N -2.20 1.28 0.30 5.49 -4.23 -1.26 -4.63 115.64 110.39 3dxb s THR 352 Ca 0.48 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.98 3dxb s THR 352 Cb -0.11 -2.81 0.24 0.00 1.34 0.00 0.00 72.50 71.17 3dxb s THR 352 CO 0.30 0.00 1.95 0.44 -0.54 0.00 0.00 174.62 176.76 3dxb h ASP 353 N 2.05 0.88 -0.03 3.99 3.45 -1.93 -1.66 116.42 123.18 3dxb h ASP 353 Ca -0.41 -0.05 -0.20 0.00 0.43 0.00 0.00 57.03 56.80 3dxb h ASP 353 Cb 1.24 -0.22 0.00 0.00 -0.56 0.00 0.00 39.33 39.79 3dxb h ASP 353 CO 0.71 0.68 -0.69 0.44 -1.57 0.00 0.00 179.24 178.81 3dxb h ASP 354 N 1.01 0.77 1.19 6.45 3.45 -2.02 -3.30 116.42 123.98 3dxb h ASP 354 Ca 0.26 -0.47 0.00 0.00 0.43 0.00 0.00 57.03 57.25 3dxb h ASP 354 Cb -0.04 -0.23 0.00 0.00 -0.56 0.00 0.00 39.33 38.51 3dxb h ASP 354 CO -0.05 1.24 -0.56 0.77 -1.57 0.00 0.00 179.24 179.08 3dxb h SER 355 N 0.47 0.00 -0.79 6.45 4.64 -1.94 -3.39 113.55 118.99 3dxb h SER 355 Ca -0.02 -0.08 0.18 0.00 -0.47 0.00 0.00 61.79 61.40 3dxb h SER 355 Cb 1.28 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.25 3dxb h SER 355 CO 0.13 0.04 0.22 0.15 -0.87 0.00 0.00 176.83 176.50 3dxb h PHE 356 N 0.00 0.34 0.27 4.77 3.57 -1.38 0.15 116.94 124.66 3dxb h PHE 356 Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 3dxb h PHE 356 Cb 0.87 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.59 3dxb h PHE 356 CO 0.00 -0.10 -0.13 0.22 -2.23 0.00 0.00 178.31 176.06 3dxb h ASP 357 N 0.28 -0.32 -0.19 0.41 1.82 -1.81 0.41 116.42 117.02 3dxb h ASP 357 Ca 0.46 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 57.10 3dxb h ASP 357 Cb 0.83 0.08 -0.01 0.00 0.68 0.00 0.00 39.33 40.92 3dxb h ASP 357 CO -0.54 -0.23 0.04 0.74 -1.61 0.00 0.00 179.24 177.64 3dxb h THR 358 N -0.37 1.21 -0.14 2.25 2.02 -1.62 0.06 112.91 116.32 3dxb h THR 358 Ca -0.04 -0.66 -0.14 0.00 0.77 0.00 0.00 66.41 66.34 3dxb h THR 358 Cb 0.29 1.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.98 3dxb h THR 358 CO 0.06 0.20 -0.52 0.44 0.37 0.00 0.00 175.52 176.07 3dxb h ASP 359 N 0.11 0.43 0.00 4.18 3.32 -0.67 -3.29 116.42 120.50 3dxb h ASP 359 Ca 0.06 -0.22 -0.09 0.00 0.02 0.00 0.00 57.03 56.80 3dxb h ASP 359 Cb 0.27 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3dxb h ASP 359 CO 0.00 0.88 -0.98 0.52 -1.72 0.00 0.00 179.24 177.94 3dxb n VAL 360 N -3.95 0.97 0.09 -1.35 0.31 0.13 -4.42 118.33 110.11 3dxb n VAL 360 Ca -0.02 0.08 -0.07 0.00 -0.01 0.00 0.00 64.34 64.32 3dxb n VAL 360 Cb 0.57 -1.77 0.04 0.00 -0.91 0.00 0.00 33.84 31.78 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 -0.39 0.21 -2.45 7.52 3.38 -1.23 -3.07 115.31 119.28 3dxb h LEU 361 Ca -0.13 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3dxb h LEU 361 Cb 0.80 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.49 3dxb h LEU 361 CO -0.08 0.91 0.00 0.29 0.09 0.00 0.00 178.44 179.65 3dxb n LYS 362 N -3.71 2.56 -2.33 1.13 4.76 -0.10 -3.00 118.16 117.47 3dxb n LYS 362 Ca -0.03 -2.40 -0.34 0.00 -2.87 0.00 0.00 58.31 52.67 3dxb n LYS 362 Cb 0.74 -1.53 -0.01 0.00 -1.84 0.00 0.00 35.03 32.39 3dxb n LYS 362 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3dxb s ALA 363 N -1.23 2.79 -0.34 7.82 0.00 -1.16 -4.98 121.76 124.66 3dxb s ALA 363 Ca 0.44 0.59 -0.08 0.00 0.00 0.00 0.00 51.96 52.91 3dxb s ALA 363 Cb 0.24 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 20.11 3dxb s ALA 363 CO 0.32 -0.56 0.14 0.34 0.00 0.00 0.00 175.76 175.99 3dxb s ASP 364 N -2.16 5.44 0.00 0.00 2.15 -1.26 -4.47 116.67 116.37 3dxb s ASP 364 Ca 0.67 -0.89 0.00 0.00 0.43 0.00 0.00 52.55 52.76 3dxb s ASP 364 Cb -0.18 -1.94 0.00 0.00 -0.30 0.00 0.00 42.92 40.50 3dxb s ASP 364 CO 0.26 -0.29 0.00 0.61 -0.17 0.00 0.00 175.17 175.58 3dxb n GLY 365 N 4.91 2.73 3.74 2.66 0.00 -1.26 -5.05 105.19 112.93 3dxb n GLY 365 Ca -0.13 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 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 -2.92 3.44 -0.15 4.61 0.00 -1.26 -4.51 121.76 120.98 3dxb s ALA 366 Ca 0.00 0.96 0.02 0.00 0.00 0.00 0.00 51.96 52.94 3dxb s ALA 366 Cb 0.00 -3.41 0.01 0.00 0.00 0.00 0.00 23.12 19.73 3dxb s ALA 366 CO 0.00 -0.36 -0.20 0.42 0.00 0.00 0.00 175.76 175.62 3dxb s ILE 367 N -0.23 1.97 -0.38 0.00 -1.09 0.53 -1.40 121.20 120.60 3dxb s ILE 367 Ca 0.52 -0.91 -0.17 0.00 -2.23 0.00 0.00 60.65 57.85 3dxb s ILE 367 Cb -0.33 -1.76 0.01 0.00 -1.58 0.00 0.00 42.46 38.80 3dxb s ILE 367 CO 0.38 0.53 0.45 -0.22 -1.23 0.00 0.00 174.94 174.85 3dxb s LEU 368 N 0.98 4.59 -0.32 2.97 2.96 0.50 -0.06 118.68 130.30 3dxb s LEU 368 Ca -0.03 -0.37 -0.13 0.00 -0.22 0.00 0.00 54.13 53.38 3dxb s LEU 368 Cb -0.15 -2.45 -0.03 0.00 0.50 0.00 0.00 46.19 44.06 3dxb s LEU 368 CO -0.05 -0.51 0.25 -0.69 -1.32 0.00 0.00 176.35 174.03 3dxb s VAL 369 N 2.23 5.27 -0.42 1.68 1.01 0.76 -0.34 120.40 130.58 3dxb s VAL 369 Ca 0.15 -0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.92 3dxb s VAL 369 Cb -0.16 -3.68 0.02 0.00 0.00 0.00 0.00 36.38 32.56 3dxb s VAL 369 CO 0.14 0.06 0.45 -0.62 0.00 0.00 0.00 175.10 175.13 3dxb s ASP 370 N 1.73 6.20 -0.39 3.32 3.68 0.79 -1.62 116.67 130.38 3dxb s ASP 370 Ca 0.08 -0.67 -0.25 0.00 2.13 0.00 0.00 52.55 53.83 3dxb s ASP 370 Cb -0.17 -2.23 0.02 0.00 -1.45 0.00 0.00 42.92 39.09 3dxb s ASP 370 CO 0.11 -0.60 0.90 -0.36 0.13 0.00 0.00 175.17 175.35 3dxb s PHE 371 N 2.18 3.04 0.32 -5.34 0.40 -0.44 -0.70 117.98 117.44 3dxb s PHE 371 Ca 0.13 0.63 0.06 0.00 -0.60 0.00 0.00 56.93 57.15 3dxb s PHE 371 Cb -0.17 -3.69 -0.02 0.00 0.51 0.00 0.00 43.02 39.64 3dxb s PHE 371 CO 0.14 -0.88 0.23 -2.67 0.70 0.00 0.00 175.22 172.74 3dxb n TRP 372 N 6.82 -0.56 -3.58 0.36 4.27 -0.42 -2.96 117.44 121.37 3dxb n TRP 372 Ca 0.06 -2.53 -0.14 0.00 -3.89 0.00 0.00 57.50 51.00 3dxb n TRP 372 Cb 0.48 0.21 -0.05 0.00 -1.36 0.00 0.00 31.31 30.59 3dxb n TRP 372 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3dxb s ALA 373 N -3.19 -1.32 0.37 -1.67 0.00 -1.26 -1.28 121.76 113.40 3dxb s ALA 373 Ca 0.33 0.59 0.10 0.00 0.00 0.00 0.00 51.96 52.98 3dxb s ALA 373 Cb 0.02 0.38 0.73 0.00 0.00 0.00 0.00 23.12 24.25 3dxb s ALA 373 CO 0.23 -0.50 1.86 0.93 0.00 0.00 0.00 175.76 178.28 3dxb h GLU 374 N 2.79 0.16 -0.01 0.00 4.39 -2.01 -2.60 114.58 117.30 3dxb h GLU 374 Ca -0.31 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.34 3dxb h GLU 374 Cb 1.21 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.85 3dxb h GLU 374 CO 0.41 0.40 -0.09 -2.67 -1.16 0.00 0.00 179.01 175.91 3dxb n TRP 375 N -4.19 0.00 -2.83 4.33 4.27 -1.26 -4.86 117.44 112.90 3dxb n TRP 375 Ca -0.01 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.17 3dxb n TRP 375 Cb 0.34 -0.12 -0.04 0.00 -1.36 0.00 0.00 31.31 30.13 3dxb n TRP 375 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3dxb h GLY 377 N 9.83 -1.25 1.58 0.00 0.00 -1.89 -2.22 103.07 109.13 3dxb h GLY 377 Ca -0.23 0.46 0.06 0.00 0.00 0.00 0.00 47.33 47.62 3dxb h GLY 377 CO 0.95 -0.46 0.15 -0.56 0.00 0.00 0.00 176.54 176.63 3dxb h PRO 378 N -1.21 0.03 -0.69 4.80 0.13 -1.93 -1.30 132.00 131.83 3dxb h PRO 378 Ca -0.12 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.99 3dxb h PRO 378 Cb 0.92 -0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.01 3dxb h PRO 378 CO 0.20 0.02 0.38 0.00 -0.23 0.00 0.00 178.00 178.36 3dxb h LYS 380 N 0.94 1.07 -0.36 0.00 1.57 -0.62 -2.49 116.57 116.68 3dxb h LYS 380 Ca 0.24 -0.20 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 3dxb h LYS 380 Cb 0.04 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3dxb h LYS 380 CO -0.04 0.88 -0.19 0.52 -0.57 0.00 0.00 179.45 180.06 3dxb h MET 381 N 1.04 0.67 0.00 3.15 2.86 -1.12 -3.14 114.93 118.38 3dxb h MET 381 Ca 0.24 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3dxb h MET 381 Cb 0.24 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 31.85 3dxb h MET 381 CO -0.02 0.82 -0.62 0.44 1.06 0.00 0.00 176.91 178.60 3dxb n ILE 382 N -4.14 0.10 -0.19 -1.22 -5.35 -0.94 -4.27 119.36 103.35 3dxb n ILE 382 Ca 0.00 -0.09 -0.04 0.00 -0.27 0.00 0.00 62.75 62.36 3dxb n ILE 382 Cb 0.40 0.20 0.06 0.00 -1.74 0.00 0.00 39.64 38.56 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 2.84 0.72 -0.18 -1.28 0.00 -1.39 0.32 119.26 120.28 3dxb h ALA 383 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3dxb h ALA 383 Cb 0.58 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3dxb h ALA 383 CO 0.00 -0.04 -0.35 -1.35 0.00 0.00 0.00 179.25 177.51 3dxb h PRO 384 N 0.56 0.38 -0.67 0.00 0.11 -1.75 -1.30 132.00 129.35 3dxb h PRO 384 Ca 0.24 -0.17 -0.04 0.00 0.11 0.00 0.00 66.00 66.14 3dxb h PRO 384 Cb 0.14 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 3dxb h PRO 384 CO -0.16 0.69 0.25 0.82 -0.21 0.00 0.00 178.00 179.39 3dxb h ILE 385 N 0.33 1.24 -0.09 4.15 2.04 -1.62 -2.42 117.51 121.14 3dxb h ILE 385 Ca 0.04 -0.79 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 3dxb h ILE 385 Cb 0.77 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3dxb h ILE 385 CO 0.06 0.31 -0.30 -0.07 0.00 0.00 0.00 178.15 178.15 3dxb h LEU 386 N 0.96 0.17 -0.68 1.44 3.38 -0.17 -1.29 115.31 119.13 3dxb h LEU 386 Ca 0.22 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3dxb h LEU 386 Cb 0.24 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3dxb h LEU 386 CO -0.01 0.48 0.24 0.44 0.09 0.00 0.00 178.44 179.67 3dxb h ASP 387 N 0.15 0.96 -0.02 -0.43 3.45 -0.92 -1.17 116.42 118.44 3dxb h ASP 387 Ca 0.02 -0.19 -0.19 0.00 0.43 0.00 0.00 57.03 57.10 3dxb h ASP 387 Cb 0.62 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.14 3dxb h ASP 387 CO 0.04 0.90 -0.66 -0.33 -1.57 0.00 0.00 179.24 177.62 3dxb h GLU 388 N 0.98 0.65 -0.59 3.56 5.08 -1.17 -2.96 114.58 120.12 3dxb h GLU 388 Ca 0.22 -0.47 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 3dxb h GLU 388 Cb 0.26 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.56 3dxb h GLU 388 CO -0.01 1.09 0.32 0.82 -1.00 0.00 0.00 179.01 180.23 3dxb h ILE 389 N 0.47 1.19 -0.83 3.13 1.08 -1.16 0.69 117.51 122.08 3dxb h ILE 389 Ca -0.02 -0.50 0.14 0.00 -0.39 0.00 0.00 64.86 64.09 3dxb h ILE 389 Cb 1.25 0.44 -0.06 0.00 -3.07 0.00 0.00 36.82 35.38 3dxb h ILE 389 CO 0.13 0.21 0.54 0.00 -0.69 0.00 0.00 178.15 178.34 3dxb h ALA 390 N 1.15 1.91 0.26 1.87 0.00 -1.18 0.11 119.26 123.38 3dxb h ALA 390 Ca 0.21 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3dxb h ALA 390 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3dxb h ALA 390 CO -0.03 -0.12 -0.13 -0.44 0.00 0.00 0.00 179.25 178.53 3dxb h ASP 391 N 0.61 -0.30 0.36 0.00 5.19 -1.22 -3.04 116.42 118.02 3dxb h ASP 391 Ca 0.41 -0.02 -0.05 0.00 -0.62 0.00 0.00 57.03 56.75 3dxb h ASP 391 Cb 0.70 0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.28 3dxb h ASP 391 CO -0.16 0.17 -0.25 -0.33 -3.12 0.00 0.00 179.24 175.54 3dxb h GLU 392 N -1.09 0.00 -0.37 3.56 5.08 -0.76 -2.73 114.58 118.28 3dxb h GLU 392 Ca -0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3dxb h GLU 392 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 3dxb h GLU 392 CO 0.06 0.25 0.00 0.66 -1.00 0.00 0.00 179.01 178.98 3dxb n TYR 393 N -3.98 0.48 -1.67 4.33 4.02 0.01 -4.98 117.16 115.37 3dxb n TYR 393 Ca -0.02 -0.32 -0.48 0.00 -0.01 0.00 0.00 57.90 57.07 3dxb n TYR 393 Cb 0.32 -0.01 -0.05 0.00 -0.02 0.00 0.00 39.34 39.59 3dxb n TYR 393 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 3dxb n GLN 394 N 1.09 2.14 0.00 -0.72 7.27 -1.03 -1.04 117.38 125.08 3dxb n GLN 394 Ca 0.16 0.78 0.00 0.00 0.07 0.00 0.00 57.00 58.01 3dxb n GLN 394 Cb 0.50 -2.59 0.00 0.00 2.41 0.00 0.00 30.24 30.57 3dxb n GLN 394 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3dxb n GLY 395 N 3.96 1.21 0.00 1.69 0.00 -1.26 -4.83 105.19 105.96 3dxb n GLY 395 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3dxb n GLY 395 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3dxb n LYS 396 N -0.03 1.52 -3.74 1.61 2.85 -0.50 -5.06 118.16 114.81 3dxb n LYS 396 Ca 0.00 -0.10 -0.12 0.00 -1.05 0.00 0.00 58.31 57.03 3dxb n LYS 396 Cb 0.00 -0.45 -0.11 0.00 -0.65 0.00 0.00 35.03 33.82 3dxb n LYS 396 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3dxb s LEU 397 N -0.49 0.48 -0.10 -5.58 2.96 -0.21 -4.21 118.68 111.53 3dxb s LEU 397 Ca 0.00 0.73 0.02 0.00 -0.22 0.00 0.00 54.13 54.66 3dxb s LEU 397 Cb 0.00 1.19 -0.01 0.00 0.50 0.00 0.00 46.19 47.86 3dxb s LEU 397 CO 0.00 -0.14 -0.17 -0.89 -1.32 0.00 0.00 176.35 173.83 3dxb s THR 398 N 0.54 2.72 -0.16 3.68 2.01 -0.49 -4.21 115.64 119.72 3dxb s THR 398 Ca -0.03 -0.80 -0.15 0.00 0.31 0.00 0.00 61.69 61.02 3dxb s THR 398 Cb -0.04 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.33 3dxb s THR 398 CO -0.03 0.55 0.34 -0.69 -0.69 0.00 0.00 174.62 174.09 3dxb s VAL 399 N 0.06 5.27 0.05 3.82 1.01 -1.26 -0.37 120.40 128.98 3dxb s VAL 399 Ca -0.07 0.63 0.06 0.00 0.00 0.00 0.00 61.98 62.60 3dxb s VAL 399 Cb -0.15 -3.67 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3dxb s VAL 399 CO 0.05 0.36 -0.17 0.00 0.00 0.00 0.00 175.10 175.34 3dxb s ALA 400 N 0.65 1.43 -0.08 5.51 0.00 0.54 -0.78 121.76 129.02 3dxb s ALA 400 Ca 0.18 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 51.21 3dxb s ALA 400 Cb -0.14 -0.24 0.01 0.00 0.00 0.00 0.00 23.12 22.76 3dxb s ALA 400 CO 0.05 0.29 -0.16 0.15 0.00 0.00 0.00 175.76 176.09 3dxb s LYS 401 N -1.26 2.14 -0.21 0.00 1.02 0.59 -0.15 119.74 121.87 3dxb s LYS 401 Ca 0.04 -0.56 0.01 0.00 0.02 0.00 0.00 55.97 55.47 3dxb s LYS 401 Cb -0.08 -1.71 0.03 0.00 -0.52 0.00 0.00 37.83 35.54 3dxb s LYS 401 CO 0.02 0.07 -0.16 -1.17 -0.92 0.00 0.00 175.35 173.19 3dxb s LEU 402 N 0.59 2.59 -0.08 3.17 2.96 0.13 -0.17 118.68 127.87 3dxb s LEU 402 Ca -0.15 -0.83 -0.30 0.00 -0.22 0.00 0.00 54.13 52.63 3dxb s LEU 402 Cb -0.16 -1.53 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 3dxb s LEU 402 CO 0.05 -0.06 1.14 0.21 -1.32 0.00 0.00 176.35 176.37 3dxb s ASN 403 N 1.26 7.11 0.17 3.68 3.84 -1.26 -1.31 114.94 128.43 3dxb s ASN 403 Ca 0.01 1.71 0.25 0.00 0.21 0.00 0.00 52.86 55.05 3dxb s ASN 403 Cb -0.15 -2.56 0.61 0.00 -0.55 0.00 0.00 41.25 38.61 3dxb s ASN 403 CO -0.10 -0.55 1.58 2.30 -2.79 0.00 0.00 177.10 177.54 3dxb n ILE 404 N 4.65 0.48 -0.03 -5.21 -5.35 -0.41 -0.99 119.36 112.50 3dxb n ILE 404 Ca 0.10 -0.27 -0.16 0.00 -0.27 0.00 0.00 62.75 62.16 3dxb n ILE 404 Cb 0.47 -0.38 -0.13 0.00 -1.74 0.00 0.00 39.64 37.86 3dxb n ILE 404 CO 0.00 0.00 0.00 0.44 -1.76 0.00 0.00 176.55 175.23 3dxb h ASP 405 N 0.00 0.16 0.94 7.28 3.45 -1.93 -3.15 116.42 123.18 3dxb h ASP 405 Ca 0.00 -0.90 -0.13 0.00 0.43 0.00 0.00 57.03 56.43 3dxb h ASP 405 Cb 0.74 -0.05 -0.02 0.00 -0.56 0.00 0.00 39.33 39.44 3dxb h ASP 405 CO 0.00 1.05 -0.60 1.56 -1.57 0.00 0.00 179.24 179.67 3dxb h GLN 406 N -0.70 0.00 -2.90 3.56 4.20 -1.95 -3.38 115.11 113.94 3dxb h GLN 406 Ca -0.04 0.00 -0.61 0.00 0.06 0.00 0.00 58.65 58.06 3dxb h GLN 406 Cb 1.11 0.00 -0.40 0.00 0.30 0.00 0.00 27.48 28.49 3dxb h GLN 406 CO 0.05 0.60 -0.75 -0.80 -0.67 0.00 0.00 178.83 177.26 3dxb s ASN 407 N -6.61 3.46 0.00 1.46 -0.87 -0.16 -4.96 114.94 107.26 3dxb s ASN 407 Ca 0.01 -2.84 0.29 0.00 -1.57 0.00 0.00 52.86 48.74 3dxb s ASN 407 Cb 0.11 -1.01 1.26 0.00 -0.02 0.00 0.00 41.25 41.58 3dxb s ASN 407 CO 0.75 -0.23 1.86 -0.81 -2.57 0.00 0.00 177.10 176.10 3dxb n PRO 408 N 3.25 1.34 0.04 -0.60 -0.04 -1.19 -4.25 135.00 133.54 3dxb n PRO 408 Ca 0.13 -0.62 -0.16 0.00 -0.04 0.00 0.00 63.50 62.82 3dxb n PRO 408 Cb 0.37 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.20 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 4.91 0.23 0.13 0.55 0.00 -1.94 -3.42 103.07 103.52 3dxb h GLY 409 Ca 0.00 -0.59 -0.04 0.00 0.00 0.00 0.00 47.33 46.71 3dxb h GLY 409 CO 0.00 0.51 -0.17 -0.84 0.00 0.00 0.00 176.54 176.05 3dxb h THR 410 N 0.05 1.74 -0.98 4.70 2.02 -1.93 -3.39 112.91 115.12 3dxb h THR 410 Ca -0.27 -2.38 0.06 0.00 0.77 0.00 0.00 66.41 64.59 3dxb h THR 410 Cb 2.01 3.35 -0.06 0.00 -1.74 0.00 0.00 68.15 71.71 3dxb h THR 410 CO 0.13 0.63 0.63 0.00 0.37 0.00 0.00 175.52 177.29 3dxb h ALA 411 N 0.01 1.42 0.00 6.16 0.00 -1.83 -2.23 119.26 122.79 3dxb h ALA 411 Ca -0.03 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3dxb h ALA 411 Cb 1.12 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3dxb h ALA 411 CO 0.03 0.44 -0.11 -1.35 0.00 0.00 0.00 179.25 178.26 3dxb h PRO 412 N 1.16 0.00 -0.00 0.00 0.11 -1.81 -2.01 132.00 129.44 3dxb h PRO 412 Ca 0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.52 3dxb h PRO 412 Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 3dxb h PRO 412 CO -0.16 0.11 0.00 0.36 -0.21 0.00 0.00 178.00 178.10 3dxb n LYS 413 N -3.76 1.04 -0.09 1.05 2.85 -0.84 -2.22 118.16 116.19 3dxb n LYS 413 Ca -0.02 -0.06 0.03 0.00 -1.05 0.00 0.00 58.31 57.21 3dxb n LYS 413 Cb 0.22 -1.49 0.08 0.00 -0.65 0.00 0.00 35.03 33.19 3dxb n LYS 413 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3dxb n TYR 414 N -0.91 0.25 -2.69 5.58 4.02 -0.81 -4.99 117.16 117.61 3dxb n TYR 414 Ca 0.23 -0.48 -0.21 0.00 -0.01 0.00 0.00 57.90 57.42 3dxb n TYR 414 Cb 0.12 -0.04 0.01 0.00 -0.02 0.00 0.00 39.34 39.42 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 0.07 -0.49 3.76 2.72 0.00 -0.94 -4.96 105.19 105.35 3dxb n GLY 415 Ca 0.06 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.10 2.71 0.00 -0.61 1.09 -0.87 -4.95 121.20 115.47 3dxb s ILE 416 Ca 0.14 0.68 0.00 0.00 -1.10 0.00 0.00 60.65 60.38 3dxb s ILE 416 Cb -0.06 -3.43 0.00 0.00 -1.06 0.00 0.00 42.46 37.90 3dxb s ILE 416 CO 0.18 0.15 0.00 0.54 -0.10 0.00 0.00 174.94 175.71 3dxb n ARG 417 N 1.13 0.00 -2.14 2.79 1.74 -1.26 -4.70 116.66 114.21 3dxb n ARG 417 Ca 0.01 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 3dxb n ARG 417 Cb 0.41 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.87 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 -2.18 1.60 0.09 -0.13 0.00 -1.26 -5.10 107.32 100.34 3dxb s GLY 418 Ca 0.00 -0.29 0.06 0.00 0.00 0.00 0.00 44.72 44.49 3dxb s GLY 418 CO 0.00 -0.04 -0.17 -0.26 0.00 0.00 0.00 173.10 172.63 3dxb s ILE 419 N -3.06 1.36 0.50 0.90 -4.36 -1.26 -4.05 121.20 111.23 3dxb s ILE 419 Ca 0.53 -1.43 -0.20 0.00 -0.26 0.00 0.00 60.65 59.29 3dxb s ILE 419 Cb -0.11 -1.29 -0.08 0.00 1.25 0.00 0.00 42.46 42.23 3dxb s ILE 419 CO 0.50 -0.18 1.05 -2.16 0.24 0.00 0.00 174.94 174.39 3dxb s PRO 420 N -1.88 3.70 -0.05 0.37 0.04 -1.26 -4.79 135.00 131.12 3dxb s PRO 420 Ca 0.02 1.37 0.04 0.00 0.04 0.00 0.00 61.00 62.47 3dxb s PRO 420 Cb -0.10 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.37 3dxb s PRO 420 CO 0.03 -0.52 -0.17 0.99 0.04 0.00 0.00 177.00 177.37 3dxb s THR 421 N -2.01 1.45 -0.15 1.26 2.01 -1.16 -0.76 115.64 116.29 3dxb s THR 421 Ca 0.67 -0.71 -0.04 0.00 0.31 0.00 0.00 61.69 61.92 3dxb s THR 421 Cb -0.17 -1.26 -0.03 0.00 0.01 0.00 0.00 72.50 71.05 3dxb s THR 421 CO 0.23 0.42 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.78 3dxb s LEU 422 N 0.16 3.29 -0.11 4.42 1.43 0.10 -1.33 118.68 126.65 3dxb s LEU 422 Ca -0.07 -0.11 -0.03 0.00 -1.03 0.00 0.00 54.13 52.90 3dxb s LEU 422 Cb -0.13 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.27 3dxb s LEU 422 CO 0.03 0.18 -0.00 -0.76 0.23 0.00 0.00 176.35 176.03 3dxb s LEU 423 N 0.30 3.52 -0.33 1.79 1.43 -0.64 -0.58 118.68 124.18 3dxb s LEU 423 Ca -0.03 0.07 -0.14 0.00 -1.03 0.00 0.00 54.13 53.00 3dxb s LEU 423 Cb -0.14 -1.82 -0.02 0.00 0.03 0.00 0.00 46.19 44.24 3dxb s LEU 423 CO 0.03 0.31 0.33 -0.22 0.23 0.00 0.00 176.35 177.03 3dxb s LEU 424 N -0.48 4.39 -0.20 1.79 2.96 0.69 -0.17 118.68 127.66 3dxb s LEU 424 Ca 0.08 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.71 3dxb s LEU 424 Cb -0.12 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 3dxb s LEU 424 CO 0.02 -0.29 0.07 -0.36 -1.32 0.00 0.00 176.35 174.48 3dxb s PHE 425 N 1.95 3.21 -0.14 5.38 0.08 0.91 0.55 117.98 129.91 3dxb s PHE 425 Ca 0.11 -0.03 0.02 0.00 0.12 0.00 0.00 56.93 57.14 3dxb s PHE 425 Cb -0.17 -2.14 0.01 0.00 -0.57 0.00 0.00 43.02 40.16 3dxb s PHE 425 CO 0.11 0.02 -0.20 0.15 -0.10 0.00 0.00 175.22 175.20 3dxb s LYS 426 N 0.75 2.81 -1.31 0.44 1.02 -0.04 -0.35 119.74 123.05 3dxb s LYS 426 Ca 0.04 -0.77 -0.25 0.00 0.02 0.00 0.00 55.97 55.01 3dxb s LYS 426 Cb -0.13 -2.34 0.03 0.00 -0.52 0.00 0.00 37.83 34.87 3dxb s LYS 426 CO 0.02 -0.09 0.50 0.09 -0.92 0.00 0.00 175.35 174.95 3dxb n ASN 427 N 4.29 -2.72 0.00 2.83 3.02 -1.26 -0.24 115.26 121.18 3dxb n ASN 427 Ca -0.20 -1.28 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 3dxb n ASN 427 Cb 0.51 -1.73 0.00 0.00 -0.61 0.00 0.00 39.78 37.95 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 -2.22 1.42 3.88 7.41 0.00 -1.16 -4.99 105.19 109.54 3dxb n GLY 428 Ca -0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.14 3.62 -0.48 1.61 2.02 0.67 -4.98 118.70 121.02 3dxb s GLU 429 Ca 0.00 -0.02 -0.27 0.00 0.02 0.00 0.00 54.97 54.70 3dxb s GLU 429 Cb 0.00 -3.07 0.03 0.00 0.10 0.00 0.00 34.13 31.19 3dxb s GLU 429 CO 0.00 0.63 1.04 0.08 0.02 0.00 0.00 175.26 177.03 3dxb s VAL 430 N -1.31 4.32 0.01 2.63 1.01 -1.26 -0.86 120.40 124.94 3dxb s VAL 430 Ca 0.28 0.94 -0.09 0.00 0.00 0.00 0.00 61.98 63.11 3dxb s VAL 430 Cb -0.13 -4.53 -0.31 0.00 0.00 0.00 0.00 36.38 31.40 3dxb s VAL 430 CO 0.16 -0.96 0.91 0.00 0.00 0.00 0.00 175.10 175.21 3dxb h ALA 431 N 9.19 0.09 -2.36 5.51 0.00 -0.23 -3.48 119.26 127.98 3dxb h ALA 431 Ca -0.24 -1.00 -0.03 0.00 0.00 0.00 0.00 54.91 53.64 3dxb h ALA 431 Cb 1.07 0.24 -0.16 0.00 0.00 0.00 0.00 17.79 18.93 3dxb h ALA 431 CO 1.08 0.95 0.24 0.00 0.00 0.00 0.00 179.25 181.53 3dxb s ALA 432 N -2.61 -1.72 0.09 0.00 0.00 -1.17 -5.00 121.76 111.35 3dxb s ALA 432 Ca -0.10 1.01 0.08 0.00 0.00 0.00 0.00 51.96 52.95 3dxb s ALA 432 Cb 0.06 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.45 3dxb s ALA 432 CO 0.89 -0.53 -0.20 0.95 0.00 0.00 0.00 175.76 176.86 3dxb s THR 433 N -2.25 1.64 -0.12 0.00 -4.23 -1.26 -0.22 115.64 109.20 3dxb s THR 433 Ca -0.05 -1.46 -0.04 0.00 -1.18 0.00 0.00 61.69 58.97 3dxb s THR 433 Cb -0.00 -1.49 0.05 0.00 1.34 0.00 0.00 72.50 72.40 3dxb s THR 433 CO -0.00 -0.03 0.12 -0.75 -0.54 0.00 0.00 174.62 173.41 3dxb s LYS 434 N -1.76 0.03 -0.18 3.99 2.47 0.26 -5.00 119.74 119.55 3dxb s LYS 434 Ca 0.06 0.24 -0.15 0.00 -1.56 0.00 0.00 55.97 54.56 3dxb s LYS 434 Cb -0.10 -1.00 -0.04 0.00 -1.46 0.00 0.00 37.83 35.23 3dxb s LYS 434 CO 0.04 -0.49 0.36 0.08 0.16 0.00 0.00 175.35 175.50 3dxb s VAL 435 N 2.21 5.25 0.00 4.02 1.01 -1.26 -0.72 120.40 130.90 3dxb s VAL 435 Ca 0.04 0.66 0.00 0.00 0.00 0.00 0.00 61.98 62.68 3dxb s VAL 435 Cb -0.14 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3dxb s VAL 435 CO -0.07 0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.96 3dxb n GLY 436 N 3.65 0.24 3.74 4.51 0.00 0.06 -5.00 105.19 112.38 3dxb n GLY 436 Ca -0.10 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.79 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 -1.99 1.77 0.00 4.61 0.00 -1.26 -4.82 121.76 120.06 3dxb s ALA 437 Ca 0.00 -0.08 -0.28 0.00 0.00 0.00 0.00 51.96 51.60 3dxb s ALA 437 Cb 0.00 -3.18 0.09 0.00 0.00 0.00 0.00 23.12 20.04 3dxb s ALA 437 CO 0.00 -2.16 0.81 -0.48 0.00 0.00 0.00 175.76 173.93 3dxb s LEU 438 N -6.09 -0.45 0.99 0.00 2.34 -1.26 -5.14 118.68 109.07 3dxb s LEU 438 Ca 0.63 0.16 -0.12 0.00 0.06 0.00 0.00 54.13 54.85 3dxb s LEU 438 Cb -0.17 2.20 0.18 0.00 -0.56 0.00 0.00 46.19 47.85 3dxb s LEU 438 CO 0.56 -0.66 1.08 -0.94 -1.06 0.00 0.00 176.35 175.34 3dxb s SER 439 N -2.16 2.65 0.33 1.48 1.04 -1.26 -4.79 113.70 110.99 3dxb s SER 439 Ca 0.01 1.36 0.02 0.00 0.48 0.00 0.00 55.95 57.82 3dxb s SER 439 Cb -0.01 -2.03 0.56 0.00 0.10 0.00 0.00 66.02 64.64 3dxb s SER 439 CO -0.06 -3.14 1.89 0.50 0.98 0.00 0.00 173.24 173.42 3dxb h LYS 440 N -1.89 0.67 -0.16 4.02 3.64 -1.99 -1.00 116.57 119.86 3dxb h LYS 440 Ca -0.54 -0.12 -0.11 0.00 -1.27 0.00 0.00 60.65 58.61 3dxb h LYS 440 Cb 1.31 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.01 3dxb h LYS 440 CO 0.55 0.60 -0.39 0.78 -2.27 0.00 0.00 179.45 178.72 3dxb h GLY 441 N 0.86 0.38 1.47 5.01 0.00 -1.99 -1.35 103.07 107.45 3dxb h GLY 441 Ca 0.15 -0.36 -0.23 0.00 0.00 0.00 0.00 47.33 46.89 3dxb h GLY 441 CO -0.01 0.33 -0.91 1.46 0.00 0.00 0.00 176.54 177.41 3dxb h GLN 442 N 0.30 0.49 -0.32 4.80 4.20 -1.83 -2.97 115.11 119.77 3dxb h GLN 442 Ca 0.03 -0.49 -0.14 0.00 0.06 0.00 0.00 58.65 58.11 3dxb h GLN 442 Cb 0.83 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.73 3dxb h GLN 442 CO 0.07 1.13 -0.34 1.25 -0.67 0.00 0.00 178.83 180.27 3dxb h LEU 443 N 0.29 0.85 -0.53 1.46 5.85 -1.10 -1.85 115.31 120.28 3dxb h LEU 443 Ca -0.08 -0.48 0.02 0.00 0.84 0.00 0.00 57.88 58.19 3dxb h LEU 443 Cb 1.54 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 3dxb h LEU 443 CO 0.16 1.15 0.33 0.11 -0.34 0.00 0.00 178.44 179.85 3dxb h LYS 444 N 0.56 0.63 -0.57 1.25 1.57 -1.33 -0.93 116.57 117.76 3dxb h LYS 444 Ca 0.05 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.69 3dxb h LYS 444 Cb 0.92 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 3dxb h LYS 444 CO 0.08 0.42 -0.03 0.93 -0.57 0.00 0.00 179.45 180.29 3dxb h GLU 445 N 0.65 1.02 -0.79 3.15 5.08 -1.50 0.15 114.58 122.34 3dxb h GLU 445 Ca 0.21 -0.34 0.04 0.00 -1.00 0.00 0.00 59.36 58.27 3dxb h GLU 445 Cb -0.00 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 3dxb h GLU 445 CO -0.08 1.02 0.49 0.35 -1.00 0.00 0.00 179.01 179.79 3dxb h PHE 446 N 0.91 0.92 -0.14 4.33 3.04 -1.12 -1.45 116.94 123.44 3dxb h PHE 446 Ca 0.16 0.03 -0.17 0.00 3.98 0.00 0.00 57.97 61.96 3dxb h PHE 446 Cb 0.58 -0.30 0.01 0.00 2.56 0.00 0.00 35.95 38.80 3dxb h PHE 446 CO 0.04 0.51 -0.57 -0.07 -2.02 0.00 0.00 178.31 176.20 3dxb h LEU 447 N 0.95 0.74 -0.29 0.59 3.38 -0.89 -2.75 115.31 117.04 3dxb h LEU 447 Ca 0.32 -0.62 0.03 0.00 0.09 0.00 0.00 57.88 57.71 3dxb h LEU 447 Cb 0.06 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 3dxb h LEU 447 CO -0.13 1.24 0.09 0.44 0.09 0.00 0.00 178.44 180.17 3dxb h ASP 448 N 0.29 0.09 0.90 -0.43 5.19 -0.56 0.11 116.42 122.00 3dxb h ASP 448 Ca -0.03 0.03 -0.04 0.00 -0.62 0.00 0.00 57.03 56.37 3dxb h ASP 448 Cb 1.21 0.03 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 3dxb h ASP 448 CO 0.12 0.08 -0.18 0.00 -3.12 0.00 0.00 179.24 176.14 3dxb h ALA 449 N 1.19 1.04 0.00 3.45 0.00 -1.32 -3.30 119.26 120.31 3dxb h ALA 449 Ca 0.13 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3dxb h ALA 449 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3dxb h ALA 449 CO -0.14 0.23 -1.75 0.09 0.00 0.00 0.00 179.25 177.67 3dxb n ASN 450 N -3.36 1.54 0.08 0.00 3.02 -1.02 -4.17 115.26 111.36 3dxb n ASN 450 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.49 3dxb n ASN 450 Cb 0.40 1.51 0.10 0.00 -0.61 0.00 0.00 39.78 41.18 3dxb n ASN 450 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3dxb h LEU 451 N 0.00 0.28 -0.35 3.41 3.38 -0.91 -3.25 115.31 117.88 3dxb h LEU 451 Ca -0.08 -0.17 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 3dxb h LEU 451 Cb 0.95 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 3dxb h LEU 451 CO 0.00 0.84 -0.16 0.00 0.09 0.00 0.00 178.44 179.21 3dxb h ALA 452 N 1.16 0.49 0.00 1.53 0.00 -1.77 -3.47 119.26 117.20 3dxb h ALA 452 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3dxb h ALA 452 Cb 1.16 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3dxb h ALA 452 CO 0.10 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.17 3dxb n GLY 453 N -0.06 3.00 3.26 0.00 0.00 -1.23 -4.97 105.19 105.19 3dxb n GLY 453 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 3dxb n GLY 453 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dxb s SER 454 N -0.09 -0.10 0.40 1.61 1.04 -1.26 -5.03 113.70 110.26 3dxb s SER 454 Ca 0.00 -0.29 0.26 0.00 0.48 0.00 0.00 55.95 56.40 3dxb s SER 454 Cb 0.00 0.38 0.74 0.00 0.10 0.00 0.00 66.02 67.24 3dxb s SER 454 CO 0.00 -0.68 1.74 0.00 0.98 0.00 0.00 173.24 175.28 3dxb h ALA 455 N 2.96 1.00 -2.12 5.32 0.00 -1.93 -3.46 119.26 121.04 3dxb h ALA 455 Ca -0.33 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3dxb h ALA 455 Cb 1.21 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.78 3dxb h ALA 455 CO 0.48 0.00 0.06 1.41 0.00 0.00 0.00 179.25 181.20 3dxb s MET 456 N -3.30 0.77 -0.08 0.00 1.75 -1.26 -5.12 119.30 112.05 3dxb s MET 456 Ca 0.06 0.96 -0.30 0.00 -1.25 0.00 0.00 55.69 55.17 3dxb s MET 456 Cb 0.08 0.35 -0.04 0.00 2.84 0.00 0.00 34.83 38.06 3dxb s MET 456 CO 0.60 -0.10 1.40 -1.21 -0.65 0.00 0.00 175.02 175.06 3dxb s GLU 457 N 0.52 4.24 0.38 4.11 0.41 -1.26 -4.92 118.70 122.17 3dxb s GLU 457 Ca -0.01 1.89 -0.18 0.00 -0.41 0.00 0.00 54.97 56.26 3dxb s GLU 457 Cb -0.05 -3.75 -0.10 0.00 -1.78 0.00 0.00 34.13 28.45 3dxb s GLU 457 CO -0.02 -0.68 0.84 0.45 -0.49 0.00 0.00 175.26 175.36 3dxb s SER 458 N 2.26 6.85 0.34 -0.19 0.15 -1.26 -4.82 113.70 117.03 3dxb s SER 458 Ca 0.62 1.47 0.25 0.00 0.70 0.00 0.00 55.95 58.99 3dxb s SER 458 Cb -0.28 -2.45 0.63 0.00 -1.71 0.00 0.00 66.02 62.21 3dxb s SER 458 CO 0.23 -0.28 1.71 0.71 1.20 0.00 0.00 173.24 176.80 3dxb h THR 459 N 1.91 0.00 -3.38 6.45 1.35 -1.88 -3.42 112.91 113.95 3dxb h THR 459 Ca -0.48 -0.71 -0.58 0.00 -0.55 0.00 0.00 66.41 64.09 3dxb h THR 459 Cb 1.18 1.70 -0.08 0.00 -1.73 0.00 0.00 68.15 69.22 3dxb h THR 459 CO 0.63 0.00 0.03 -0.69 -0.25 0.00 0.00 175.52 175.24 3dxb s VAL 460 N -3.19 5.08 -0.09 6.82 1.01 -1.26 -1.47 120.40 127.30 3dxb s VAL 460 Ca 0.08 1.19 -0.00 0.00 0.00 0.00 0.00 61.98 63.25 3dxb s VAL 460 Cb 0.09 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.50 3dxb s VAL 460 CO 0.62 0.22 -0.06 -0.32 0.00 0.00 0.00 175.10 175.56 3dxb s MET 461 N 1.19 2.99 -0.12 2.72 1.75 0.81 -1.60 119.30 127.03 3dxb s MET 461 Ca 0.30 -0.53 -0.02 0.00 -1.25 0.00 0.00 55.69 54.20 3dxb s MET 461 Cb -0.16 -2.68 -0.03 0.00 2.84 0.00 0.00 34.83 34.80 3dxb s MET 461 CO 0.13 0.57 -0.06 0.54 -0.65 0.00 0.00 175.02 175.54 3dxb s VAL 462 N -0.54 3.70 -0.36 10.11 0.11 0.17 0.60 120.40 134.18 3dxb s VAL 462 Ca 0.08 -0.45 -0.09 0.00 -2.93 0.00 0.00 61.98 58.59 3dxb s VAL 462 Cb -0.12 -2.57 0.03 0.00 -1.53 0.00 0.00 36.38 32.18 3dxb s VAL 462 CO 0.02 0.53 0.17 -0.76 -3.33 0.00 0.00 175.10 171.73 3dxb s LEU 463 N -0.03 4.51 -0.03 2.54 1.43 0.14 -1.74 118.68 125.50 3dxb s LEU 463 Ca 0.00 -0.97 -0.01 0.00 -1.03 0.00 0.00 54.13 52.12 3dxb s LEU 463 Cb -0.13 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 3dxb s LEU 463 CO 0.03 -0.34 0.08 -0.13 0.23 0.00 0.00 176.35 176.22 3dxb s ARG 464 N 1.52 3.12 0.00 1.70 0.52 -0.10 -1.55 118.95 124.15 3dxb s ARG 464 Ca 0.01 -0.43 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 3dxb s ARG 464 Cb -0.19 -2.90 0.00 0.00 0.52 0.00 0.00 34.95 32.38 3dxb s ARG 464 CO 0.05 0.67 0.00 -1.71 0.02 0.00 0.00 175.30 174.33 3dxb n ASN 465 N 1.38 -1.87 0.17 0.23 5.15 -1.26 -1.38 115.26 117.68 3dxb n ASN 465 Ca -0.14 0.00 0.01 0.00 -0.60 0.00 0.00 54.58 53.85 3dxb n ASN 465 Cb 0.53 -1.11 0.28 0.00 -0.53 0.00 0.00 39.78 38.95 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 1.40 0.00 -2.72 1.20 4.05 -1.83 -3.41 114.93 113.61 3dxb h MET 466 Ca 0.00 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 3dxb h MET 466 Cb 0.15 0.00 -0.20 0.00 -0.80 0.00 0.00 31.60 30.75 3dxb h MET 466 CO 0.00 0.48 -0.13 0.08 0.23 0.00 0.00 176.91 177.56 3dxb s VAL 467 N -3.94 0.04 0.11 -5.77 1.01 -1.26 -4.84 120.40 105.75 3dxb s VAL 467 Ca -0.02 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.52 3dxb s VAL 467 Cb 0.14 -0.73 -0.06 0.00 0.00 0.00 0.00 36.38 35.72 3dxb s VAL 467 CO 0.74 -0.18 0.45 -0.62 0.00 0.00 0.00 175.10 175.49 3dxb s ASP 468 N -1.27 6.69 0.41 3.32 2.15 -1.26 -4.30 116.67 122.40 3dxb s ASP 468 Ca -0.13 0.87 0.21 0.00 0.43 0.00 0.00 52.55 53.94 3dxb s ASP 468 Cb -0.04 -2.21 1.18 0.00 -0.30 0.00 0.00 42.92 41.55 3dxb s ASP 468 CO 0.06 0.13 1.76 -0.65 -0.17 0.00 0.00 175.17 176.30 3dxb h PRO 469 N 3.54 0.32 0.00 4.34 0.11 -1.92 0.21 132.00 138.60 3dxb h PRO 469 Ca -0.49 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 3dxb h PRO 469 Cb 1.19 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3dxb h PRO 469 CO 0.67 0.21 -0.32 0.87 -0.21 0.00 0.00 178.00 179.21 3dxb h LYS 470 N 0.33 0.00 0.00 1.05 6.56 -1.96 -2.85 116.57 119.70 3dxb h LYS 470 Ca 0.61 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 60.18 3dxb h LYS 470 Cb 1.67 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 33.33 3dxb h LYS 470 CO -0.28 0.32 -0.12 -0.44 -2.06 0.00 0.00 179.45 176.87 3dxb h ASP 471 N 0.00 0.00 -2.60 0.86 3.32 -0.97 -3.45 116.42 113.58 3dxb h ASP 471 Ca -0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 3dxb h ASP 471 Cb 0.66 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.24 3dxb h ASP 471 CO 0.04 0.12 1.06 -0.63 -1.72 0.00 0.00 179.24 178.12 3dxb s ILE 472 N -3.77 2.73 0.38 0.35 1.01 -1.08 -5.00 121.20 115.81 3dxb s ILE 472 Ca -0.00 0.23 0.06 0.00 0.00 0.00 0.00 60.65 60.94 3dxb s ILE 472 Cb 0.10 -3.15 -0.02 0.00 0.01 0.00 0.00 42.46 39.41 3dxb s ILE 472 CO 0.59 -0.00 0.21 -0.90 0.00 0.00 0.00 174.94 174.83 3dxb n ASP 473 N 5.61 0.38 0.25 3.58 5.68 -1.26 -5.05 116.55 125.74 3dxb n ASP 473 Ca 0.17 -3.20 0.17 0.00 -0.50 0.00 0.00 54.79 51.43 3dxb n ASP 473 Cb 0.39 1.32 0.77 0.00 -1.14 0.00 0.00 41.12 42.46 3dxb n ASP 473 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3dxb h ASP 474 N 1.82 0.00 1.55 -1.12 3.32 -2.03 -2.86 116.42 117.11 3dxb h ASP 474 Ca -0.28 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.75 3dxb h ASP 474 Cb 1.22 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.77 3dxb h ASP 474 CO 0.44 0.00 -0.45 0.44 -1.72 0.00 0.00 179.24 177.95 3dxb h ASP 475 N 0.00 0.00 -0.02 6.45 3.32 -1.98 -3.40 116.42 120.78 3dxb h ASP 475 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 3dxb h ASP 475 Cb 0.32 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3dxb h ASP 475 CO 0.00 0.07 -0.08 0.25 -1.72 0.00 0.00 179.24 177.76 3dxb h LEU 476 N 0.00 -0.24 -0.78 1.55 5.85 -1.90 -1.92 115.31 117.87 3dxb h LEU 476 Ca -0.01 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.83 3dxb h LEU 476 Cb 1.06 0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.14 3dxb h LEU 476 CO 0.01 -0.12 0.45 -0.08 -0.34 0.00 0.00 178.44 178.36 3dxb h GLU 477 N -0.13 0.77 -0.42 1.25 4.81 -1.79 -0.87 114.58 118.20 3dxb h GLU 477 Ca 0.04 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.09 3dxb h GLU 477 Cb 0.19 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 3dxb h GLU 477 CO -0.10 0.51 -0.25 0.78 -0.73 0.00 0.00 179.01 179.22 3dxb h GLY 478 N 0.80 0.95 1.05 1.92 0.00 -1.78 -1.89 103.07 104.11 3dxb h GLY 478 Ca 0.36 -0.85 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 3dxb h GLY 478 CO -0.21 0.77 0.28 0.83 0.00 0.00 0.00 176.54 178.21 3dxb h GLU 479 N 0.75 1.16 -0.22 4.80 5.08 -0.69 -1.95 114.58 123.51 3dxb h GLU 479 Ca 0.09 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3dxb h GLU 479 Cb 0.80 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 3dxb h GLU 479 CO 0.07 0.96 -0.03 0.28 -1.00 0.00 0.00 179.01 179.28 3dxb h VAL 480 N 1.12 1.28 -0.85 3.13 2.07 -1.12 -2.16 116.25 119.72 3dxb h VAL 480 Ca 0.25 -0.99 0.10 0.00 0.82 0.00 0.00 66.70 66.88 3dxb h VAL 480 Cb 0.25 1.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.44 3dxb h VAL 480 CO -0.02 0.30 0.49 0.74 0.02 0.00 0.00 177.57 179.11 3dxb h THR 481 N 0.14 0.89 0.00 2.57 2.02 -1.23 -0.24 112.91 117.07 3dxb h THR 481 Ca 0.06 -0.27 -0.17 0.00 0.77 0.00 0.00 66.41 66.79 3dxb h THR 481 Cb 0.47 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 3dxb h THR 481 CO 0.02 0.15 -0.82 -0.33 0.37 0.00 0.00 175.52 174.90 3dxb h GLU 482 N 0.80 0.00 -0.08 6.66 4.39 -1.29 -0.89 114.58 124.17 3dxb h GLU 482 Ca 0.42 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 60.05 3dxb h GLU 482 Cb 0.42 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 3dxb h GLU 482 CO -0.26 0.82 -0.24 0.93 -1.16 0.00 0.00 179.01 179.09 3dxb h GLU 483 N 0.00 0.30 0.00 2.33 5.08 -1.02 -3.29 114.58 117.98 3dxb h GLU 483 Ca -0.01 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 3dxb h GLU 483 Cb 1.55 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.84 3dxb h GLU 483 CO 0.11 0.84 0.00 0.00 -1.00 0.00 0.00 179.01 178.96 3dxb h GLY 485 N 3.56 0.00 2.00 0.00 0.00 -1.22 -2.42 103.07 104.98 3dxb h GLY 485 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3dxb h GLY 485 CO 0.00 0.00 -0.20 0.50 0.00 0.00 0.00 176.54 176.84 3dxb h LYS 486 N 0.00 0.00 -0.01 4.80 1.57 -1.70 -3.20 116.57 118.03 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 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3dxb h LYS 486 CO 0.00 0.20 -0.64 1.19 -0.57 0.00 0.00 179.45 179.63 3dxb n PHE 487 N -3.33 0.00 -1.55 -1.35 3.72 -0.91 -5.06 117.46 108.97 3dxb n PHE 487 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3dxb n PHE 487 Cb 0.44 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.98 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 1.38 -1.91 3.68 1.37 0.00 -1.21 -4.56 105.19 103.94 3dxb n GLY 488 Ca 0.06 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.50 3.49 -0.26 4.61 0.00 -1.26 -4.21 121.76 122.62 3dxb s ALA 489 Ca 0.00 0.50 -0.16 0.00 0.00 0.00 0.00 51.96 52.30 3dxb s ALA 489 Cb 0.00 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 3dxb s ALA 489 CO 0.00 -0.76 0.44 0.08 0.00 0.00 0.00 175.76 175.52 3dxb s VAL 490 N 2.30 5.13 -0.13 0.00 1.01 -1.26 -2.23 120.40 125.22 3dxb s VAL 490 Ca 0.52 0.71 -0.25 0.00 0.00 0.00 0.00 61.98 62.97 3dxb s VAL 490 Cb -0.22 -3.76 -0.22 0.00 0.00 0.00 0.00 36.38 32.19 3dxb s VAL 490 CO 0.19 0.13 0.70 0.78 0.00 0.00 0.00 175.10 176.90 3dxb h ASN 491 N 8.08 -0.01 -4.86 3.32 4.21 -0.48 -3.49 115.58 122.37 3dxb h ASN 491 Ca -0.30 -0.83 -0.11 0.00 1.21 0.00 0.00 56.30 56.27 3dxb h ASN 491 Cb 1.15 0.00 -0.20 0.00 -1.12 0.00 0.00 38.32 38.15 3dxb h ASN 491 CO 0.68 0.89 -0.18 -0.13 -1.29 0.00 0.00 177.43 177.40 3dxb s ARG 492 N -2.28 0.72 -0.09 0.81 0.52 -1.16 -5.01 118.95 112.47 3dxb s ARG 492 Ca -0.16 -0.01 0.03 0.00 -0.52 0.00 0.00 55.73 55.07 3dxb s ARG 492 Cb -0.02 0.33 0.00 0.00 0.52 0.00 0.00 34.95 35.78 3dxb s ARG 492 CO 0.59 -0.20 -0.21 0.08 0.02 0.00 0.00 175.30 175.59 3dxb s VAL 493 N -1.11 1.80 -0.20 3.52 1.01 -1.26 -1.15 120.40 123.01 3dxb s VAL 493 Ca -0.11 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.01 3dxb s VAL 493 Cb -0.04 -1.57 0.03 0.00 0.00 0.00 0.00 36.38 34.80 3dxb s VAL 493 CO 0.05 0.50 -0.17 -0.63 0.00 0.00 0.00 175.10 174.85 3dxb s ILE 494 N 0.44 2.04 -0.62 2.22 1.01 -0.24 -4.98 121.20 121.07 3dxb s ILE 494 Ca -0.18 -1.08 -0.23 0.00 0.00 0.00 0.00 60.65 59.16 3dxb s ILE 494 Cb -0.17 -1.93 0.06 0.00 0.01 0.00 0.00 42.46 40.43 3dxb s ILE 494 CO 0.07 0.39 0.95 -0.63 0.00 0.00 0.00 174.94 175.73 3dxb s ILE 495 N 1.26 4.35 -0.21 2.92 -1.09 -1.26 -1.29 121.20 125.89 3dxb s ILE 495 Ca 0.02 -0.11 -0.07 0.00 -2.23 0.00 0.00 60.65 58.26 3dxb s ILE 495 Cb -0.15 -4.62 -0.03 0.00 -1.58 0.00 0.00 42.46 36.08 3dxb s ILE 495 CO -0.11 -1.32 0.05 -0.47 -1.23 0.00 0.00 174.94 171.86 3dxb s TYR 496 N 4.01 3.14 -0.19 3.97 5.04 0.39 -4.99 117.35 128.72 3dxb s TYR 496 Ca 0.25 -0.19 -0.08 0.00 -2.44 0.00 0.00 57.07 54.61 3dxb s TYR 496 Cb -0.15 -2.12 -0.04 0.00 0.35 0.00 0.00 41.96 39.99 3dxb s TYR 496 CO 0.14 -0.09 0.07 -0.65 -1.34 0.00 0.00 175.55 173.68 3dxb s GLN 497 N 0.88 3.95 -0.07 4.97 -0.21 -1.26 -0.41 119.66 127.52 3dxb s GLN 497 Ca 0.03 -0.35 0.02 0.00 0.02 0.00 0.00 55.36 55.08 3dxb s GLN 497 Cb -0.14 -3.26 0.01 0.00 1.00 0.00 0.00 33.01 30.62 3dxb s GLN 497 CO 0.02 0.20 -0.13 -2.00 -2.12 0.00 0.00 175.29 171.26 3dxb s GLU 498 N 0.57 1.85 0.01 2.91 2.12 -0.28 -4.98 118.70 120.91 3dxb s GLU 498 Ca 0.04 -0.46 -0.23 0.00 0.36 0.00 0.00 54.97 54.67 3dxb s GLU 498 Cb -0.13 -1.51 -0.05 0.00 0.26 0.00 0.00 34.13 32.70 3dxb s GLU 498 CO 0.01 0.04 0.69 0.21 -0.54 0.00 0.00 175.26 175.67 3dxb s LYS 499 N 0.65 4.42 -1.06 4.30 2.20 -1.26 -0.98 119.74 128.00 3dxb s LYS 499 Ca -0.15 0.91 -0.06 0.00 -0.36 0.00 0.00 55.97 56.32 3dxb s LYS 499 Cb -0.16 -3.36 0.29 0.00 -1.51 0.00 0.00 37.83 33.08 3dxb s LYS 499 CO 0.04 0.30 1.23 1.04 -0.36 0.00 0.00 175.35 177.60 3dxb n GLN 500 N 2.86 3.82 0.00 4.03 1.13 -0.59 -4.95 117.38 123.68 3dxb n GLN 500 Ca -0.04 -4.51 0.00 0.00 -1.94 0.00 0.00 57.00 50.50 3dxb n GLN 500 Cb 0.51 -2.51 0.00 0.00 0.11 0.00 0.00 30.24 28.35 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 1.98 2.98 0.04 1.08 0.00 -1.26 -4.49 105.19 105.52 3dxb n GLY 501 Ca 0.25 -2.04 0.13 0.00 0.00 0.00 0.00 46.02 44.35 3dxb n GLY 501 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dxb n GLU 502 N -1.01 0.13 -1.89 1.61 4.71 -1.26 -4.85 120.64 118.07 3dxb n GLU 502 Ca 0.00 0.07 -0.40 0.00 -0.01 0.00 0.00 57.16 56.83 3dxb n GLU 502 Cb 0.00 -1.62 0.01 0.00 -1.01 0.00 0.00 31.44 28.82 3dxb n GLU 502 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3dxb s GLU 503 N -3.06 3.82 0.55 3.49 8.01 -1.26 -4.91 118.70 125.34 3dxb s GLU 503 Ca 0.11 2.33 0.31 0.00 0.01 0.00 0.00 54.97 57.73 3dxb s GLU 503 Cb 0.16 -2.72 1.60 0.00 -4.31 0.00 0.00 34.13 28.86 3dxb s GLU 503 CO 0.62 -0.68 2.11 1.49 0.01 0.00 0.00 175.26 178.81 3dxb h GLU 504 N 2.51 0.00 -0.44 1.61 4.81 -2.01 -2.59 114.58 118.47 3dxb h GLU 504 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 3dxb h GLU 504 Cb 1.26 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3dxb h GLU 504 CO 0.62 0.08 0.00 -0.40 -0.73 0.00 0.00 179.01 178.58 3dxb n ASP 505 N -3.48 3.19 -4.76 1.04 5.68 -1.26 -5.01 116.55 111.95 3dxb n ASP 505 Ca -0.02 -1.96 -0.41 0.00 -0.50 0.00 0.00 54.79 51.90 3dxb n ASP 505 Cb 0.22 -0.29 -0.00 0.00 -1.14 0.00 0.00 41.12 39.91 3dxb n ASP 505 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dxb n ALA 506 N 0.92 2.10 -1.77 2.12 0.00 -0.98 -4.93 120.51 117.98 3dxb n ALA 506 Ca 0.16 0.34 -0.39 0.00 0.00 0.00 0.00 53.44 53.55 3dxb n ALA 506 Cb 0.49 -2.38 -0.00 0.00 0.00 0.00 0.00 19.45 17.55 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 -2.06 3.87 -0.23 0.00 -1.05 -1.26 -4.66 118.70 113.31 3dxb s GLU 507 Ca 0.54 2.06 -0.07 0.00 -0.15 0.00 0.00 54.97 57.34 3dxb s GLU 507 Cb -0.50 -2.64 -0.03 0.00 -0.44 0.00 0.00 34.13 30.52 3dxb s GLU 507 CO 0.63 -0.55 0.07 0.42 0.95 0.00 0.00 175.26 176.79 3dxb s ILE 508 N -1.33 4.45 0.34 1.83 1.01 -1.26 -1.54 121.20 124.70 3dxb s ILE 508 Ca 0.59 -0.13 0.07 0.00 0.00 0.00 0.00 60.65 61.18 3dxb s ILE 508 Cb -0.36 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.03 3dxb s ILE 508 CO 0.45 0.37 0.34 0.27 0.00 0.00 0.00 174.94 176.37 3dxb s ILE 509 N 1.26 3.59 -0.16 2.92 -4.36 -0.15 -4.63 121.20 119.68 3dxb s ILE 509 Ca 0.05 -1.29 -0.00 0.00 -0.26 0.00 0.00 60.65 59.15 3dxb s ILE 509 Cb -0.15 -3.22 -0.01 0.00 1.25 0.00 0.00 42.46 40.34 3dxb s ILE 509 CO 0.03 -0.16 -0.13 -0.69 0.24 0.00 0.00 174.94 174.23 3dxb s VAL 510 N -2.29 2.86 -0.17 8.37 1.01 -1.26 -1.13 120.40 127.79 3dxb s VAL 510 Ca 0.42 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.66 3dxb s VAL 510 Cb -0.06 -2.22 -0.02 0.00 0.00 0.00 0.00 36.38 34.08 3dxb s VAL 510 CO 0.28 0.51 -0.04 -0.54 0.00 0.00 0.00 175.10 175.30 3dxb s LYS 511 N 0.76 3.60 -0.36 2.72 1.02 0.45 -4.11 119.74 123.81 3dxb s LYS 511 Ca -0.05 -0.55 -0.10 0.00 0.02 0.00 0.00 55.97 55.29 3dxb s LYS 511 Cb -0.15 -2.92 0.03 0.00 -0.52 0.00 0.00 37.83 34.27 3dxb s LYS 511 CO 0.01 0.15 0.18 0.42 -0.92 0.00 0.00 175.35 175.19 3dxb s ILE 512 N 0.58 4.35 -0.07 2.17 1.01 -0.60 -0.46 121.20 128.18 3dxb s ILE 512 Ca -0.03 -0.93 -0.19 0.00 0.00 0.00 0.00 60.65 59.50 3dxb s ILE 512 Cb -0.14 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.85 3dxb s ILE 512 CO 0.03 -0.21 0.54 -0.36 0.00 0.00 0.00 174.94 174.93 3dxb s PHE 513 N 1.51 3.58 -0.20 3.97 0.08 -0.41 0.23 117.98 126.75 3dxb s PHE 513 Ca 0.01 1.03 0.00 0.00 0.12 0.00 0.00 56.93 58.09 3dxb s PHE 513 Cb -0.19 -2.58 0.05 0.00 -0.57 0.00 0.00 43.02 39.72 3dxb s PHE 513 CO 0.06 0.24 -0.06 0.08 -0.10 0.00 0.00 175.22 175.44 3dxb s VAL 514 N 0.29 1.36 -0.26 -0.44 1.01 0.20 -1.08 120.40 121.49 3dxb s VAL 514 Ca 0.29 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 61.25 3dxb s VAL 514 Cb -0.16 -1.55 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 3dxb s VAL 514 CO 0.13 0.06 0.17 -0.70 0.00 0.00 0.00 175.10 174.77 3dxb s GLU 515 N 1.50 4.02 0.41 2.72 2.12 -0.30 -0.14 118.70 129.04 3dxb s GLU 515 Ca -0.02 -0.29 0.07 0.00 0.36 0.00 0.00 54.97 55.09 3dxb s GLU 515 Cb -0.17 -3.59 0.01 0.00 0.26 0.00 0.00 34.13 30.64 3dxb s GLU 515 CO -0.07 -0.04 0.57 -0.06 -0.54 0.00 0.00 175.26 175.12 3dxb s PHE 516 N 1.34 2.89 0.21 5.30 0.40 -0.54 0.26 117.98 127.84 3dxb s PHE 516 Ca 0.07 -0.31 0.06 0.00 -0.60 0.00 0.00 56.93 56.15 3dxb s PHE 516 Cb -0.14 -2.33 0.14 0.00 0.51 0.00 0.00 43.02 41.20 3dxb s PHE 516 CO 0.07 -0.38 1.48 0.66 0.70 0.00 0.00 175.22 177.76 3dxb h SER 517 N 0.63 0.17 -4.49 1.36 4.64 -1.77 -3.44 113.55 110.65 3dxb h SER 517 Ca -0.42 -0.12 -0.15 0.00 -0.47 0.00 0.00 61.79 60.64 3dxb h SER 517 Cb 1.28 -0.05 -0.23 0.00 -0.31 0.00 0.00 62.40 63.09 3dxb h SER 517 CO 0.48 0.85 -0.45 -0.51 -0.87 0.00 0.00 176.83 176.32 3dxb s ILE 518 N -3.43 0.04 0.63 0.95 2.07 -1.26 -5.06 121.20 115.16 3dxb s ILE 518 Ca -0.02 -0.37 0.34 0.00 -1.41 0.00 0.00 60.65 59.19 3dxb s ILE 518 Cb 0.11 -0.41 0.37 0.00 0.13 0.00 0.00 42.46 42.67 3dxb s ILE 518 CO 0.80 -0.20 2.13 0.00 -1.91 0.00 0.00 174.94 175.76 3dxb h ALA 519 N 4.85 1.43 0.00 1.50 0.00 -1.87 -1.48 119.26 123.69 3dxb h ALA 519 Ca -0.28 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.55 3dxb h ALA 519 Cb 1.19 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3dxb h ALA 519 CO 0.39 -0.22 -0.33 0.66 0.00 0.00 0.00 179.25 179.76 3dxb h SER 520 N 0.00 0.00 -0.01 0.00 4.64 -1.96 -0.71 113.55 115.51 3dxb h SER 520 Ca 0.04 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.21 3dxb h SER 520 Cb 0.39 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.49 3dxb h SER 520 CO -0.00 0.33 -0.58 -0.33 -0.87 0.00 0.00 176.83 175.38 3dxb h GLU 521 N 0.00 0.42 -1.00 4.77 5.08 -1.51 -2.80 114.58 119.55 3dxb h GLU 521 Ca -0.00 -0.43 0.03 0.00 -1.00 0.00 0.00 59.36 57.96 3dxb h GLU 521 Cb 0.94 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.25 3dxb h GLU 521 CO 0.04 1.09 0.65 1.15 -1.00 0.00 0.00 179.01 180.95 3dxb h THR 522 N -0.08 1.18 -0.44 1.13 2.02 -1.54 -1.02 112.91 114.15 3dxb h THR 522 Ca -0.07 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 3dxb h THR 522 Cb 1.29 -0.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3dxb h THR 522 CO 0.12 0.23 0.21 -0.74 0.37 0.00 0.00 175.52 175.71 3dxb h HIS 523 N 1.28 0.64 -0.38 3.16 -0.00 -1.14 -1.35 115.15 117.35 3dxb h HIS 523 Ca 0.39 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.70 3dxb h HIS 523 Cb -0.02 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.18 3dxb h HIS 523 CO -0.00 0.52 0.13 0.87 -0.00 0.00 0.00 177.93 179.44 3dxb h LYS 524 N 0.58 0.59 -0.02 5.26 1.57 -1.20 -2.29 116.57 121.05 3dxb h LYS 524 Ca 0.15 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 3dxb h LYS 524 Cb 0.12 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3dxb h LYS 524 CO -0.02 0.59 -0.08 0.00 -0.57 0.00 0.00 179.45 179.37 3dxb h ALA 525 N 0.97 -0.07 -0.52 3.86 0.00 -1.02 -1.75 119.26 120.73 3dxb h ALA 525 Ca 0.12 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.10 3dxb h ALA 525 Cb 0.24 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 3dxb h ALA 525 CO -0.01 -0.57 0.26 0.82 0.00 0.00 0.00 179.25 179.75 3dxb h ILE 526 N -0.13 0.94 -0.75 0.00 2.04 -1.25 0.81 117.51 119.18 3dxb h ILE 526 Ca 0.04 -0.17 0.09 0.00 1.00 0.00 0.00 64.86 65.82 3dxb h ILE 526 Cb 0.19 0.40 -0.07 0.00 -0.74 0.00 0.00 36.82 36.59 3dxb h ILE 526 CO -0.10 0.09 0.40 1.56 0.00 0.00 0.00 178.15 180.10 3dxb h GLN 527 N 0.50 0.66 0.16 2.37 4.20 -1.05 -1.54 115.11 120.41 3dxb h GLN 527 Ca 0.23 -0.04 -0.29 0.00 0.06 0.00 0.00 58.65 58.61 3dxb h GLN 527 Cb 0.16 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 27.80 3dxb h GLN 527 CO -0.17 0.44 -1.33 0.00 -0.67 0.00 0.00 178.83 177.10 3dxb h ALA 528 N 1.43 0.05 0.00 3.87 0.00 -0.77 -3.38 119.26 120.45 3dxb h ALA 528 Ca 0.36 -0.90 -0.01 0.00 0.00 0.00 0.00 54.91 54.36 3dxb h ALA 528 Cb 0.34 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3dxb h ALA 528 CO -0.25 0.92 -1.34 1.28 0.00 0.00 0.00 179.25 179.86 3dxb n LEU 529 N -3.57 0.59 -4.71 0.00 4.77 0.23 -4.81 117.00 109.49 3dxb n LEU 529 Ca -0.11 0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.68 3dxb n LEU 529 Cb 1.05 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 42.08 3dxb n LEU 529 CO 0.55 -0.10 1.19 0.21 -1.33 0.00 0.00 177.39 177.91 3dxb s ASN 530 N -5.14 6.68 0.00 -1.43 2.47 -0.60 -2.47 114.94 114.46 3dxb s ASN 530 Ca -0.03 2.47 0.00 0.00 0.42 0.00 0.00 52.86 55.72 3dxb s ASN 530 Cb 0.11 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.32 3dxb s ASN 530 CO 0.83 -0.78 0.00 0.61 -3.72 0.00 0.00 177.10 174.04 3dxb n GLY 531 N 3.71 0.43 3.76 1.21 0.00 0.08 -4.92 105.19 109.47 3dxb n GLY 531 Ca 0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.32 4.75 -0.07 1.61 3.52 -1.03 -4.70 118.95 122.71 3dxb s ARG 532 Ca 0.00 1.46 -0.20 0.00 -0.13 0.00 0.00 55.73 56.86 3dxb s ARG 532 Cb 0.00 -3.12 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 3dxb s ARG 532 CO 0.00 0.42 0.56 -1.58 -0.81 0.00 0.00 175.30 173.90 3dxb s TRP 533 N -1.32 3.58 -0.20 5.12 0.52 -1.26 -1.56 118.94 123.83 3dxb s TRP 533 Ca 0.44 1.07 -0.00 0.00 0.02 0.00 0.00 56.10 57.63 3dxb s TRP 533 Cb -0.24 -2.62 0.05 0.00 -1.15 0.00 0.00 33.47 29.51 3dxb s TRP 533 CO 0.30 0.21 -0.05 -0.06 0.02 0.00 0.00 176.95 177.37 3dxb s PHE 534 N 0.40 1.96 -1.14 -1.98 0.40 0.10 -4.91 117.98 112.82 3dxb s PHE 534 Ca 0.30 -1.35 -0.09 0.00 -0.60 0.00 0.00 56.93 55.19 3dxb s PHE 534 Cb -0.17 -1.42 0.01 0.00 0.51 0.00 0.00 43.02 41.96 3dxb s PHE 534 CO 0.14 -0.69 0.17 0.00 0.70 0.00 0.00 175.22 175.54 3dxb n ALA 535 N 4.80 -1.94 -0.05 5.36 0.00 -1.26 -0.56 120.51 126.86 3dxb n ALA 535 Ca -0.12 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3dxb n ALA 535 Cb 0.46 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.13 0.43 3.40 0.00 0.00 -1.26 -5.06 105.19 100.57 3dxb n GLY 536 Ca -0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.88 2.88 -0.35 1.61 1.81 0.28 -5.10 118.95 119.20 3dxb s ARG 537 Ca 0.00 -0.72 -0.17 0.00 -1.72 0.00 0.00 55.73 53.12 3dxb s ARG 537 Cb 0.00 -2.45 -0.01 0.00 -0.45 0.00 0.00 34.95 32.04 3dxb s ARG 537 CO 0.00 0.42 0.44 0.21 -0.68 0.00 0.00 175.30 175.69 3dxb s LYS 538 N -0.20 3.56 0.17 3.54 2.20 -1.26 0.02 119.74 127.77 3dxb s LYS 538 Ca -0.00 -0.31 -0.24 0.00 -0.36 0.00 0.00 55.97 55.06 3dxb s LYS 538 Cb -0.13 -3.82 -0.08 0.00 -1.51 0.00 0.00 37.83 32.29 3dxb s LYS 538 CO 0.03 -0.60 0.75 0.08 -0.36 0.00 0.00 175.35 175.25 3dxb s VAL 539 N 2.21 4.43 -0.40 4.02 1.01 -0.60 -4.79 120.40 126.28 3dxb s VAL 539 Ca 0.15 1.59 -0.12 0.00 0.00 0.00 0.00 61.98 63.59 3dxb s VAL 539 Cb -0.16 -4.06 0.04 0.00 0.00 0.00 0.00 36.38 32.20 3dxb s VAL 539 CO 0.13 0.45 0.26 -0.69 0.00 0.00 0.00 175.10 175.25 3dxb s VAL 540 N -1.24 4.79 -0.16 2.92 1.01 -0.48 -0.74 120.40 126.50 3dxb s VAL 540 Ca 0.37 -0.90 -0.13 0.00 0.00 0.00 0.00 61.98 61.32 3dxb s VAL 540 Cb -0.21 -3.73 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 3dxb s VAL 540 CO 0.24 -0.33 0.26 0.00 0.00 0.00 0.00 175.10 175.27 3dxb s ALA 541 N 1.58 3.62 -0.07 5.51 0.00 -1.26 -0.93 121.76 130.22 3dxb s ALA 541 Ca 0.03 -0.50 -0.25 0.00 0.00 0.00 0.00 51.96 51.24 3dxb s ALA 541 Cb -0.20 -2.33 0.06 0.00 0.00 0.00 0.00 23.12 20.64 3dxb s ALA 541 CO 0.07 0.14 0.57 -2.00 0.00 0.00 0.00 175.76 174.54 3dxb s GLU 542 N 0.33 0.90 0.44 0.00 2.12 -0.71 -4.69 118.70 117.09 3dxb s GLU 542 Ca 0.15 0.24 -0.25 0.00 0.36 0.00 0.00 54.97 55.48 3dxb s GLU 542 Cb -0.13 0.42 -0.08 0.00 0.26 0.00 0.00 34.13 34.61 3dxb s GLU 542 CO 0.03 -0.25 1.30 0.14 -0.54 0.00 0.00 175.26 175.94 3dxb s VAL 543 N -0.96 2.58 -0.06 3.70 -7.23 -1.26 0.42 120.40 117.58 3dxb s VAL 543 Ca -0.10 0.49 0.04 0.00 -1.81 0.00 0.00 61.98 60.61 3dxb s VAL 543 Cb -0.02 -3.28 -0.00 0.00 0.56 0.00 0.00 36.38 33.64 3dxb s VAL 543 CO 0.07 0.05 -0.20 -0.47 -0.31 0.00 0.00 175.10 174.24 3dxb s TYR 544 N -1.31 2.05 -0.32 2.82 5.04 -0.63 -4.68 117.35 120.32 3dxb s TYR 544 Ca 0.60 -0.68 -0.41 0.00 -2.44 0.00 0.00 57.07 54.15 3dxb s TYR 544 Cb -0.37 -1.38 -0.16 0.00 0.35 0.00 0.00 41.96 40.40 3dxb s TYR 544 CO 0.47 -0.25 1.75 -3.47 -1.34 0.00 0.00 175.55 172.71 3dxb n ASP 545 N 3.26 2.21 -0.16 4.32 2.03 -1.26 -4.44 116.55 122.50 3dxb n ASP 545 Ca -0.19 1.07 -0.09 0.00 0.52 0.00 0.00 54.79 56.10 3dxb n ASP 545 Cb 0.53 -1.10 0.00 0.00 -0.72 0.00 0.00 41.12 39.82 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 7.09 0.75 -0.88 -0.67 4.15 -1.92 -2.28 115.11 121.35 3dxb h GLN 546 Ca -0.45 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 58.79 3dxb h GLN 546 Cb 1.33 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.88 3dxb h GLN 546 CO 0.97 0.74 0.56 1.49 -1.93 0.00 0.00 178.83 180.66 3dxb h GLU 547 N 0.63 1.18 0.03 1.69 4.81 -1.98 0.35 114.58 121.29 3dxb h GLU 547 Ca 0.15 -0.09 0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3dxb h GLU 547 Cb 0.33 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3dxb h GLU 547 CO 0.00 0.81 -0.07 0.00 -0.73 0.00 0.00 179.01 179.02 3dxb h ARG 548 N 1.21 -0.13 -0.21 1.92 3.08 -1.82 -1.63 114.38 116.79 3dxb h ARG 548 Ca 0.32 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.40 3dxb h ARG 548 Cb -0.09 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 3dxb h ARG 548 CO -0.06 -0.09 0.06 0.35 -1.07 0.00 0.00 179.97 179.16 3dxb h PHE 549 N -0.14 0.10 -0.21 3.04 3.57 -0.91 0.22 116.94 122.61 3dxb h PHE 549 Ca 0.02 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.59 3dxb h PHE 549 Cb 0.15 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3dxb h PHE 549 CO -0.12 0.04 0.15 -0.44 -2.23 0.00 0.00 178.31 175.71 3dxb h ASP 550 N 0.15 0.00 -0.54 0.41 3.32 -0.21 -1.13 116.42 118.42 3dxb h ASP 550 Ca 0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 3dxb h ASP 550 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3dxb h ASP 550 CO -0.11 0.00 0.00 0.59 -1.72 0.00 0.00 179.24 178.00 3dxb n ASN 551 N -4.47 4.76 -1.43 6.45 3.02 -0.62 -4.93 115.26 118.03 3dxb n ASN 551 Ca 0.02 -2.62 -0.17 0.00 -0.03 0.00 0.00 54.58 51.78 3dxb n ASN 551 Cb 0.29 -0.61 -0.06 0.00 -0.61 0.00 0.00 39.78 38.79 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 0.75 -5.06 -4.41 6.41 7.64 -0.43 -4.96 113.62 113.56 3dxb n SER 552 Ca 0.24 0.34 -0.44 0.00 1.01 0.00 0.00 58.87 60.01 3dxb n SER 552 Cb 0.96 -4.08 -0.06 0.00 -1.01 0.00 0.00 64.21 60.02 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 -2.71 6.20 -0.21 6.43 2.15 0.71 -4.91 116.67 124.33 3dxb s ASP 553 Ca 0.00 -1.17 0.15 0.00 0.43 0.00 0.00 52.55 51.96 3dxb s ASP 553 Cb 0.00 -2.27 0.56 0.00 -0.30 0.00 0.00 42.92 40.91 3dxb s ASP 553 CO 0.00 -0.91 1.48 0.18 -0.17 0.00 0.00 175.17 175.75 3dxb n LEU 554 N 5.99 4.19 0.10 -1.34 4.77 -1.26 -3.66 117.00 125.79 3dxb n LEU 554 Ca -0.09 -3.14 0.04 0.00 -0.03 0.00 0.00 56.01 52.79 3dxb n LEU 554 Cb 0.44 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 40.94 3dxb n LEU 554 CO 0.54 0.77 0.12 0.77 -1.33 0.00 0.00 177.39 178.25 3dxb h SER 555 N 1.85 0.00 0.00 -1.43 4.64 -1.96 -3.51 113.55 113.15 3dxb h SER 555 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3dxb h SER 555 Cb 1.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 3dxb h SER 555 CO 0.30 0.38 0.00 0.00 -0.87 0.00 0.00 176.83 176.64