#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqc h ASP 345 N 0.00 0.19 -0.50 4.04 3.32 -1.97 0.19 116.42 121.68 3gqc h ASP 345 Ca 0.00 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.06 3gqc h ASP 345 Cb 0.00 -0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3gqc h ASP 345 CO 0.00 0.07 0.28 0.00 -1.72 0.00 0.00 179.24 177.87 3gqc h ASN 347 N 0.66 0.28 -0.63 0.00 2.35 -1.21 -2.93 115.58 114.11 3gqc h ASN 347 Ca 0.18 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3gqc h ASN 347 Cb 0.04 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.30 3gqc h ASN 347 CO -0.03 0.92 0.42 0.15 -1.65 0.00 0.00 177.43 177.24 3gqc h PHE 348 N 0.15 0.79 0.57 1.19 3.57 -0.63 0.20 116.94 122.79 3gqc h PHE 348 Ca -0.03 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 3gqc h PHE 348 Cb 1.30 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 39.78 3gqc h PHE 348 CO 0.03 0.50 -0.27 0.82 -2.23 0.00 0.00 178.31 177.15 3gqc h ILE 349 N 0.85 0.28 -0.46 1.41 2.04 -1.15 -0.25 117.51 120.24 3gqc h ILE 349 Ca 0.23 -0.36 0.09 0.00 1.00 0.00 0.00 64.86 65.82 3gqc h ILE 349 Cb -0.10 0.38 -0.09 0.00 -0.74 0.00 0.00 36.82 36.27 3gqc h ILE 349 CO -0.05 0.04 -0.19 -1.28 0.00 0.00 0.00 178.15 176.67 3gqc h SER 350 N -1.04 -0.66 -0.73 1.72 0.87 -1.52 -0.69 113.55 111.51 3gqc h SER 350 Ca -0.08 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 3gqc h SER 350 Cb 0.65 0.37 -0.04 0.00 -0.44 0.00 0.00 62.40 62.95 3gqc h SER 350 CO 0.13 -0.22 0.46 -1.13 -0.53 0.00 0.00 176.83 175.54 3gqc h ASN 351 N -0.09 0.86 0.08 6.23 -1.24 -0.60 -0.29 115.58 120.53 3gqc h ASN 351 Ca 0.22 -0.04 -0.00 0.00 0.71 0.00 0.00 56.30 57.19 3gqc h ASN 351 Cb 0.43 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.26 3gqc h ASN 351 CO -0.52 0.65 -0.04 0.15 -1.29 0.00 0.00 177.43 176.38 3gqc h PHE 352 N 1.00 -0.09 -0.34 0.67 3.04 0.04 -2.88 116.94 118.37 3gqc h PHE 352 Ca 0.27 -0.00 -0.03 0.00 3.98 0.00 0.00 57.97 62.18 3gqc h PHE 352 Cb -0.07 0.03 -0.02 0.00 2.56 0.00 0.00 35.95 38.45 3gqc h PHE 352 CO 0.00 0.23 0.07 1.88 -2.02 0.00 0.00 178.31 178.48 3gqc h TYR 353 N -0.43 0.51 -0.99 0.41 0.99 -0.99 -0.90 116.97 115.57 3gqc h TYR 353 Ca -0.01 -0.03 0.09 0.00 2.00 0.00 0.00 58.73 60.78 3gqc h TYR 353 Cb 0.37 -0.15 -0.07 0.00 1.00 0.00 0.00 36.73 37.87 3gqc h TYR 353 CO 0.03 0.45 0.63 1.03 -0.00 0.00 0.00 178.16 180.31 3gqc h SER 354 N 0.49 0.97 0.15 3.88 0.87 -1.01 -2.95 113.55 115.96 3gqc h SER 354 Ca 0.12 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3gqc h SER 354 Cb 0.21 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3gqc h SER 354 CO -0.00 0.58 -0.57 1.41 -0.53 0.00 0.00 176.83 177.72 3gqc n HIS 355 N -4.54 0.00 -2.97 2.24 8.25 -0.64 -4.94 115.22 112.61 3gqc n HIS 355 Ca 0.16 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.21 3gqc n HIS 355 Cb 0.26 -0.08 -0.05 0.00 1.12 0.00 0.00 29.99 31.23 3gqc n HIS 355 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3gqc s SER 356 N -2.73 6.65 0.21 0.41 0.15 -0.44 -4.92 113.70 113.03 3gqc s SER 356 Ca 0.15 0.67 0.03 0.00 0.70 0.00 0.00 55.95 57.50 3gqc s SER 356 Cb 0.18 -2.39 0.16 0.00 -1.71 0.00 0.00 66.02 62.25 3gqc s SER 356 CO 0.67 -0.57 1.50 0.08 1.20 0.00 0.00 173.24 176.12 3gqc h ARG 357 N 8.08 0.26 -0.20 5.44 0.11 -1.91 -2.22 114.38 123.93 3gqc h ARG 357 Ca -0.25 -0.20 -0.14 0.00 0.10 0.00 0.00 59.98 59.49 3gqc h ARG 357 Cb 1.10 0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.21 3gqc h ARG 357 CO 0.86 0.84 -0.48 -0.07 0.10 0.00 0.00 179.97 181.23 3gqc h LEU 358 N 0.18 0.57 -0.57 0.08 3.38 -1.97 0.66 115.31 117.65 3gqc h LEU 358 Ca -0.02 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.63 3gqc h LEU 358 Cb 1.22 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 3gqc h LEU 358 CO 0.11 0.96 0.19 -0.74 0.09 0.00 0.00 178.44 179.04 3gqc h HIS 359 N 0.42 0.90 -0.27 1.13 2.76 -1.89 -3.05 115.15 115.15 3gqc h HIS 359 Ca 0.02 -0.09 -0.03 0.00 -2.20 0.00 0.00 60.37 58.08 3gqc h HIS 359 Cb 0.99 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 29.68 3gqc h HIS 359 CO 0.04 0.75 0.06 0.45 -1.30 0.00 0.00 177.93 177.93 3gqc h HIS 360 N 0.79 0.47 -0.18 5.26 3.86 -0.77 -2.14 115.15 122.43 3gqc h HIS 360 Ca 0.18 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.27 3gqc h HIS 360 Cb 0.27 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.59 3gqc h HIS 360 CO 0.02 0.53 -0.18 -0.84 0.86 0.00 0.00 177.93 178.31 3gqc h ILE 361 N 0.27 1.22 -0.31 2.45 3.07 -0.92 -1.41 117.51 121.88 3gqc h ILE 361 Ca 0.09 -0.98 -0.03 0.00 1.55 0.00 0.00 64.86 65.48 3gqc h ILE 361 Cb 0.30 1.28 -0.01 0.00 -0.27 0.00 0.00 36.82 38.11 3gqc h ILE 361 CO 0.00 0.31 0.07 0.28 -1.05 0.00 0.00 178.15 177.75 3gqc h SER 362 N 0.29 0.47 -0.50 2.16 0.02 -1.45 -1.20 113.55 113.35 3gqc h SER 362 Ca 0.05 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.77 3gqc h SER 362 Cb 0.49 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.88 3gqc h SER 362 CO 0.03 0.59 0.33 0.24 -1.14 0.00 0.00 176.83 176.88 3gqc h MET 363 N 0.33 0.65 -0.63 3.45 2.86 -0.96 -1.89 114.93 118.75 3gqc h MET 363 Ca 0.09 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 3gqc h MET 363 Cb 0.31 -0.15 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 3gqc h MET 363 CO 0.00 0.43 0.36 -1.49 1.06 0.00 0.00 176.91 177.27 3gqc h TRP 364 N 0.67 0.85 -0.07 -0.22 6.55 -1.18 -0.38 115.95 122.17 3gqc h TRP 364 Ca 0.18 -0.01 0.03 0.00 0.95 0.00 0.00 58.89 60.04 3gqc h TRP 364 Cb -0.07 -0.27 -0.03 0.00 -0.86 0.00 0.00 29.16 27.92 3gqc h TRP 364 CO -0.04 0.60 -0.09 -0.22 -1.05 0.00 0.00 178.44 177.64 3gqc h LYS 365 N 0.85 -0.11 -0.72 0.49 3.64 -1.12 0.15 116.57 119.75 3gqc h LYS 365 Ca 0.22 0.01 0.11 0.00 -1.27 0.00 0.00 60.65 59.72 3gqc h LYS 365 Cb 0.02 0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 31.78 3gqc h LYS 365 CO -0.04 -0.07 0.32 0.00 -2.27 0.00 0.00 179.45 177.39 3gqc h GLU 367 N 0.52 0.69 -0.52 0.00 5.08 -0.57 -2.39 114.58 117.38 3gqc h GLU 367 Ca 0.37 -0.34 -0.12 0.00 -1.00 0.00 0.00 59.36 58.27 3gqc h GLU 367 Cb 0.47 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.70 3gqc h GLU 367 CO -0.32 0.95 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.42 3gqc h LEU 368 N 0.43 1.03 -0.79 1.33 3.38 -0.42 -1.22 115.31 119.05 3gqc h LEU 368 Ca 0.05 -0.37 0.08 0.00 0.09 0.00 0.00 57.88 57.74 3gqc h LEU 368 Cb 0.79 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 3gqc h LEU 368 CO 0.06 1.16 0.45 0.74 0.09 0.00 0.00 178.44 180.94 3gqc h THR 369 N 0.89 0.93 -0.25 0.22 2.02 -0.96 -0.52 112.91 115.25 3gqc h THR 369 Ca 0.13 -0.27 -0.17 0.00 0.77 0.00 0.00 66.41 66.87 3gqc h THR 369 Cb 0.72 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 67.20 3gqc h THR 369 CO 0.05 0.14 -0.52 -0.08 0.37 0.00 0.00 175.52 175.49 3gqc h GLU 370 N 0.78 0.72 -0.44 6.66 4.81 -1.13 -1.49 114.58 124.50 3gqc h GLU 370 Ca 0.37 -0.44 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3gqc h GLU 370 Cb 0.31 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.71 3gqc h GLU 370 CO -0.23 1.06 0.28 0.35 -0.73 0.00 0.00 179.01 179.74 3gqc h PHE 371 N 0.56 0.56 -0.37 0.92 3.57 -0.87 -1.48 116.94 119.84 3gqc h PHE 371 Ca 0.02 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.45 3gqc h PHE 371 Cb 1.09 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.63 3gqc h PHE 371 CO 0.06 0.37 -0.06 0.28 -2.23 0.00 0.00 178.31 176.73 3gqc h VAL 372 N 0.59 1.27 -0.60 1.41 2.07 -1.01 -2.57 116.25 117.41 3gqc h VAL 372 Ca 0.16 -1.12 0.11 0.00 0.82 0.00 0.00 66.70 66.67 3gqc h VAL 372 Cb -0.04 1.25 -0.09 0.00 -1.52 0.00 0.00 31.29 30.89 3gqc h VAL 372 CO -0.03 0.37 0.12 0.78 0.02 0.00 0.00 177.57 178.83 3gqc h ASN 373 N 0.50 -0.01 -0.77 0.57 2.35 -1.18 -1.75 115.58 115.29 3gqc h ASN 373 Ca 0.10 0.11 0.12 0.00 -0.55 0.00 0.00 56.30 56.08 3gqc h ASN 373 Cb 0.57 0.16 -0.08 0.00 0.05 0.00 0.00 38.32 39.01 3gqc h ASN 373 CO 0.03 0.00 0.38 0.74 -1.65 0.00 0.00 177.43 176.94 3gqc h THR 374 N 0.25 0.77 0.00 2.81 2.02 -1.05 -1.93 112.91 115.78 3gqc h THR 374 Ca 0.31 -0.20 -0.00 0.00 0.77 0.00 0.00 66.41 67.29 3gqc h THR 374 Cb 0.47 0.13 -0.00 0.00 -1.74 0.00 0.00 68.15 67.01 3gqc h THR 374 CO -0.41 0.11 -0.01 -0.07 0.37 0.00 0.00 175.52 175.51 3gqc h LEU 375 N 0.59 0.00 -0.02 2.58 4.07 -0.92 -1.21 115.31 120.40 3gqc h LEU 375 Ca 0.40 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.36 3gqc h LEU 375 Cb 0.51 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.25 3gqc h LEU 375 CO -0.33 0.01 0.00 1.56 -1.08 0.00 0.00 178.44 178.61 3gqc h GLN 376 N 0.00 0.00 0.00 1.13 7.50 -1.29 -3.49 115.11 118.97 3gqc h GLN 376 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3gqc h GLN 376 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.57 3gqc h GLN 376 CO 0.00 0.00 0.00 0.54 -1.50 0.00 0.00 178.83 177.87 3gqc n ARG 377 N -2.65 0.07 -3.04 1.46 3.00 -0.46 -5.15 116.66 109.88 3gqc n ARG 377 Ca 0.05 0.19 0.01 0.00 -0.01 0.00 0.00 57.85 58.09 3gqc n ARG 377 Cb 0.47 -1.60 -0.00 0.00 0.00 0.00 0.00 32.46 31.33 3gqc n ARG 377 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.63 177.57 3gqc s PHE 383 N -3.07 -1.35 0.35 -1.55 0.40 -1.26 -5.11 117.98 106.39 3gqc s PHE 383 Ca 0.09 0.12 0.11 0.00 -0.60 0.00 0.00 56.93 56.65 3gqc s PHE 383 Cb 0.13 0.25 0.89 0.00 0.51 0.00 0.00 43.02 44.80 3gqc s PHE 383 CO 0.42 -0.94 1.81 -1.00 0.70 0.00 0.00 175.22 176.21 3gqc h PRO 384 N 6.33 0.59 -0.07 0.24 0.13 -1.94 -1.83 132.00 135.46 3gqc h PRO 384 Ca 0.03 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 65.03 3gqc h PRO 384 Cb 1.19 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 3gqc h PRO 384 CO 0.04 0.39 -0.39 0.78 -0.23 0.00 0.00 178.00 178.59 3gqc h GLY 385 N 0.61 0.16 0.30 1.56 0.00 -1.64 -1.76 103.07 102.31 3gqc h GLY 385 Ca 0.54 -0.14 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 3gqc h GLY 385 CO -0.29 0.13 -0.01 -0.09 0.00 0.00 0.00 176.54 176.28 3gqc h ARG 386 N 0.12 -0.02 -0.67 4.80 2.43 -1.30 -3.16 114.38 116.58 3gqc h ARG 386 Ca 0.01 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.11 3gqc h ARG 386 Cb 0.75 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.28 3gqc h ARG 386 CO 0.06 0.64 0.15 0.93 -1.51 0.00 0.00 179.97 180.25 3gqc h GLU 387 N -0.72 1.08 0.00 0.20 5.08 -1.59 0.23 114.58 118.87 3gqc h GLU 387 Ca -0.00 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 3gqc h GLU 387 Cb 0.68 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3gqc h GLU 387 CO 0.00 0.97 0.00 0.36 -1.00 0.00 0.00 179.01 179.35 3gqc n LYS 388 N -4.27 0.05 0.00 2.33 0.00 -0.66 -1.32 118.16 114.30 3gqc n LYS 388 Ca 0.04 0.55 0.00 0.00 -0.00 0.00 0.00 58.31 58.90 3gqc n LYS 388 Cb 0.26 -1.66 0.00 0.00 -0.00 0.00 0.00 35.03 33.63 3gqc n LYS 388 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 3gqc n LEU 389 N -1.77 1.02 0.00 -5.58 -0.00 -0.86 -4.67 117.00 105.14 3gqc n LEU 389 Ca -0.01 -1.02 0.06 0.00 -0.00 0.00 0.00 56.01 55.04 3gqc n LEU 389 Cb 0.01 0.00 0.27 0.00 -0.00 0.00 0.00 43.42 43.70 3gqc n LEU 389 CO 0.03 0.25 0.67 0.29 -0.00 0.00 0.00 177.39 178.64 3gqc n LYS 390 N -0.25 0.06 0.00 1.47 4.76 0.77 -4.99 118.16 119.97 3gqc n LYS 390 Ca 0.00 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 3gqc n LYS 390 Cb 0.35 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 3gqc n LYS 390 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 3gqc n LYS 391 N -1.43 0.07 -2.76 1.97 -0.00 -1.26 -4.99 118.16 109.77 3gqc n LYS 391 Ca 0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.33 3gqc n LYS 391 Cb 0.12 -1.02 0.00 0.00 -0.00 0.00 0.00 35.03 34.13 3gqc n LYS 391 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3gqc n GLN 416 N 0.09 -3.22 -1.53 -1.58 0.00 -1.26 -5.19 117.38 104.69 3gqc n GLN 416 Ca 0.00 2.62 -0.44 0.00 0.00 0.00 0.00 57.00 59.18 3gqc n GLN 416 Cb 0.01 -5.38 -0.01 0.00 0.00 0.00 0.00 30.24 24.86 3gqc n GLN 416 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3gqc n SER 417 N 0.50 0.41 -3.83 2.61 2.88 -1.26 -4.95 113.62 109.98 3gqc n SER 417 Ca 0.03 1.11 -0.17 0.00 -1.33 0.00 0.00 58.87 58.50 3gqc n SER 417 Cb 0.11 -1.20 -0.16 0.00 -0.75 0.00 0.00 64.21 62.21 3gqc n SER 417 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gqc s ILE 419 N 1.02 1.61 -0.10 0.00 -1.09 0.68 -1.71 121.20 121.61 3gqc s ILE 419 Ca -0.10 -0.78 0.03 0.00 -2.23 0.00 0.00 60.65 57.56 3gqc s ILE 419 Cb -0.14 -1.40 -0.01 0.00 -1.58 0.00 0.00 42.46 39.34 3gqc s ILE 419 CO -0.02 0.46 -0.19 -0.32 -1.23 0.00 0.00 174.94 173.65 3gqc s MET 420 N 0.25 3.02 -0.21 2.79 -2.45 0.75 -1.53 119.30 121.92 3gqc s MET 420 Ca -0.10 -0.79 -0.05 0.00 -1.25 0.00 0.00 55.69 53.50 3gqc s MET 420 Cb -0.15 -2.41 -0.02 0.00 1.25 0.00 0.00 34.83 33.50 3gqc s MET 420 CO 0.05 0.29 0.00 -1.58 1.05 0.00 0.00 175.02 174.82 3gqc s HIS 421 N 0.12 3.03 -0.22 4.11 2.46 0.95 0.08 115.29 125.83 3gqc s HIS 421 Ca -0.09 -0.50 -0.03 0.00 0.47 0.00 0.00 55.06 54.91 3gqc s HIS 421 Cb -0.15 -2.10 0.00 0.00 -0.13 0.00 0.00 32.58 30.20 3gqc s HIS 421 CO 0.06 -0.28 -0.07 0.08 -2.47 0.00 0.00 174.74 172.06 3gqc s VAL 422 N 1.08 3.08 -0.07 0.89 1.01 -0.06 -1.20 120.40 125.14 3gqc s VAL 422 Ca 0.02 -0.63 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 3gqc s VAL 422 Cb -0.14 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.86 3gqc s VAL 422 CO 0.01 0.42 -0.00 -0.62 0.00 0.00 0.00 175.10 174.91 3gqc s ASP 423 N 1.43 1.50 0.30 3.32 -1.08 -0.75 -1.36 116.67 120.02 3gqc s ASP 423 Ca 0.05 -0.08 -0.29 0.00 -0.52 0.00 0.00 52.55 51.71 3gqc s ASP 423 Cb -0.14 -0.43 -0.10 0.00 -1.46 0.00 0.00 42.92 40.79 3gqc s ASP 423 CO -0.05 -0.18 1.14 -0.04 0.52 0.00 0.00 175.17 176.56 3gqc s MET 424 N 1.87 4.55 0.16 4.34 -1.94 -0.70 -0.49 119.30 127.08 3gqc s MET 424 Ca 0.03 1.88 -0.30 0.00 -1.71 0.00 0.00 55.69 55.59 3gqc s MET 424 Cb -0.12 -3.12 -0.07 0.00 2.01 0.00 0.00 34.83 33.52 3gqc s MET 424 CO -0.05 0.10 1.07 -0.51 -0.01 0.00 0.00 175.02 175.62 3gqc s ASP 425 N -0.83 7.32 -0.29 3.03 1.01 -0.64 -4.26 116.67 122.02 3gqc s ASP 425 Ca 0.46 2.02 -0.03 0.00 0.71 0.00 0.00 52.55 55.71 3gqc s ASP 425 Cb -0.33 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.00 3gqc s ASP 425 CO 0.43 -0.19 0.19 0.00 0.21 0.00 0.00 175.17 175.81 3gqc h PHE 427 N 0.77 -0.36 -0.43 0.00 3.57 -1.94 0.93 116.94 119.47 3gqc h PHE 427 Ca -0.21 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.28 3gqc h PHE 427 Cb 0.44 0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 3gqc h PHE 427 CO 0.08 -0.21 0.17 0.74 -2.23 0.00 0.00 178.31 176.86 3gqc h PHE 428 N -0.22 0.67 0.15 0.41 -1.00 -1.94 -2.23 116.94 112.77 3gqc h PHE 428 Ca 0.06 -0.05 0.01 0.00 2.81 0.00 0.00 57.97 60.80 3gqc h PHE 428 Cb 0.30 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.64 3gqc h PHE 428 CO -0.22 0.58 -0.21 0.28 -1.61 0.00 0.00 178.31 177.13 3gqc h VAL 429 N 0.56 0.53 -0.60 -0.55 2.07 -1.69 0.22 116.25 116.78 3gqc h VAL 429 Ca 0.14 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.73 3gqc h VAL 429 Cb 0.20 0.53 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 3gqc h VAL 429 CO -0.01 0.00 0.30 0.28 0.02 0.00 0.00 177.57 178.16 3gqc h SER 430 N -0.42 0.41 -0.49 0.57 0.02 -0.74 -0.38 113.55 112.52 3gqc h SER 430 Ca 0.02 0.04 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 3gqc h SER 430 Cb 0.42 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 3gqc h SER 430 CO -0.09 0.27 -0.12 0.58 -1.14 0.00 0.00 176.83 176.33 3gqc h VAL 431 N 0.55 1.27 -0.35 2.27 2.07 -1.28 -2.39 116.25 118.39 3gqc h VAL 431 Ca 0.28 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.53 3gqc h VAL 431 Cb 0.22 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3gqc h VAL 431 CO -0.20 0.44 0.16 1.23 0.02 0.00 0.00 177.57 179.22 3gqc h GLY 432 N 0.80 0.52 -1.76 2.17 0.00 0.88 -2.87 103.07 102.81 3gqc h GLY 432 Ca 0.12 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3gqc h GLY 432 CO 0.05 0.22 0.00 0.29 0.00 0.00 0.00 176.54 177.10 3gqc n ILE 433 N -4.42 0.96 -0.35 2.60 -5.35 -0.30 -4.65 119.36 107.85 3gqc n ILE 433 Ca 0.02 -0.98 0.01 0.00 -0.27 0.00 0.00 62.75 61.53 3gqc n ILE 433 Cb 0.12 0.53 0.06 0.00 -1.74 0.00 0.00 39.64 38.61 3gqc n ILE 433 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3gqc n ARG 434 N 0.92 -0.18 -1.06 6.28 1.74 -0.90 -0.83 116.66 122.62 3gqc n ARG 434 Ca 0.16 1.44 -0.13 0.00 -0.77 0.00 0.00 57.85 58.54 3gqc n ARG 434 Cb 0.49 -2.14 0.17 0.00 -1.02 0.00 0.00 32.46 29.96 3gqc n ARG 434 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3gqc n ASN 435 N -5.41 3.44 -3.50 0.55 5.03 -1.26 -4.79 115.26 109.32 3gqc n ASN 435 Ca 0.11 -3.75 -0.27 0.00 0.87 0.00 0.00 54.58 51.53 3gqc n ASN 435 Cb 0.40 -0.69 -0.10 0.00 -1.02 0.00 0.00 39.78 38.36 3gqc n ASN 435 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3gqc n ARG 436 N -1.08 0.59 0.00 3.52 1.74 -0.01 -4.97 116.66 116.45 3gqc n ARG 436 Ca 0.43 -3.48 0.12 0.00 -0.77 0.00 0.00 57.85 54.15 3gqc n ARG 436 Cb 1.14 -1.80 0.70 0.00 -1.02 0.00 0.00 32.46 31.48 3gqc n ARG 436 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3gqc n PRO 437 N 2.58 0.85 0.15 5.56 -0.02 -1.26 -1.34 135.00 141.52 3gqc n PRO 437 Ca 0.28 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.88 3gqc n PRO 437 Cb 0.45 -1.44 0.22 0.00 -0.02 0.00 0.00 33.50 32.71 3gqc n PRO 437 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 3gqc h ASP 438 N 0.00 0.00 0.00 2.55 2.03 -1.93 -3.35 116.42 115.72 3gqc h ASP 438 Ca 0.00 -0.03 0.00 0.00 -0.73 0.00 0.00 57.03 56.27 3gqc h ASP 438 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 3gqc h ASP 438 CO 0.00 0.01 -1.33 0.18 -1.03 0.00 0.00 179.24 177.07 3gqc n LEU 439 N -2.66 0.62 -4.75 0.15 4.77 -0.45 -4.89 117.00 109.78 3gqc n LEU 439 Ca 0.04 -0.32 -0.41 0.00 -0.03 0.00 0.00 56.01 55.29 3gqc n LEU 439 Cb 0.49 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.56 3gqc n LEU 439 CO 0.34 0.15 1.15 -0.54 -1.33 0.00 0.00 177.39 177.17 3gqc s LYS 440 N -3.13 4.19 0.00 3.23 1.02 -1.24 -2.18 119.74 121.62 3gqc s LYS 440 Ca 0.02 2.44 0.00 0.00 0.02 0.00 0.00 55.97 58.45 3gqc s LYS 440 Cb 0.15 -3.05 0.00 0.00 -0.52 0.00 0.00 37.83 34.41 3gqc s LYS 440 CO 0.86 -0.50 0.00 0.41 -0.92 0.00 0.00 175.35 175.20 3gqc n GLY 441 N 1.80 0.63 3.55 -3.33 0.00 -1.26 -5.05 105.19 101.53 3gqc n GLY 441 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 3gqc n GLY 441 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqc s LYS 442 N -0.06 1.96 -0.36 1.61 1.02 -0.93 -4.96 119.74 118.03 3gqc s LYS 442 Ca 0.00 -1.45 -0.28 0.00 0.02 0.00 0.00 55.97 54.25 3gqc s LYS 442 Cb 0.00 -2.03 -0.02 0.00 -0.52 0.00 0.00 37.83 35.26 3gqc s LYS 442 CO 0.00 0.39 1.79 -2.14 -0.92 0.00 0.00 175.35 174.47 3gqc s PRO 443 N -3.18 3.28 0.05 -1.68 0.02 -1.26 -4.59 135.00 127.64 3gqc s PRO 443 Ca 0.27 1.34 0.08 0.00 0.02 0.00 0.00 61.00 62.71 3gqc s PRO 443 Cb -0.07 -4.21 -0.03 0.00 0.02 0.00 0.00 34.50 30.22 3gqc s PRO 443 CO 0.16 -1.92 -0.22 0.08 -0.33 0.00 0.00 177.00 174.77 3gqc s VAL 444 N 7.03 1.76 -0.02 3.83 1.01 -1.26 -0.32 120.40 132.44 3gqc s VAL 444 Ca 0.78 -1.25 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3gqc s VAL 444 Cb -0.21 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.65 3gqc s VAL 444 CO 0.32 0.23 -0.05 0.00 0.00 0.00 0.00 175.10 175.61 3gqc s ALA 445 N -0.81 0.51 -0.23 5.51 0.00 0.15 -0.41 121.76 126.48 3gqc s ALA 445 Ca 0.08 -0.15 -0.22 0.00 0.00 0.00 0.00 51.96 51.67 3gqc s ALA 445 Cb -0.09 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 3gqc s ALA 445 CO 0.02 0.07 0.71 0.08 0.00 0.00 0.00 175.76 176.63 3gqc s VAL 446 N 0.27 4.94 0.17 0.00 1.01 0.49 -0.30 120.40 126.97 3gqc s VAL 446 Ca -0.03 1.32 -0.22 0.00 0.00 0.00 0.00 61.98 63.05 3gqc s VAL 446 Cb -0.07 -4.01 0.06 0.00 0.00 0.00 0.00 36.38 32.36 3gqc s VAL 446 CO -0.00 0.01 0.59 0.28 0.00 0.00 0.00 175.10 175.98 3gqc s THR 447 N 2.45 0.01 0.20 3.92 -1.32 -0.80 -0.38 115.64 119.73 3gqc s THR 447 Ca 0.30 -0.22 0.00 0.00 -1.21 0.00 0.00 61.69 60.57 3gqc s THR 447 Cb -0.16 -1.17 -0.07 0.00 -1.51 0.00 0.00 72.50 69.59 3gqc s THR 447 CO 0.09 -0.04 1.49 0.77 -2.21 0.00 0.00 174.62 174.72 3gqc h SER 448 N 2.05 0.43 -2.34 8.08 4.64 -1.85 -3.38 113.55 121.18 3gqc h SER 448 Ca -0.32 -0.26 -0.57 0.00 -0.47 0.00 0.00 61.79 60.17 3gqc h SER 448 Cb 1.29 -0.13 0.05 0.00 -0.31 0.00 0.00 62.40 63.31 3gqc h SER 448 CO 0.37 0.97 0.92 -3.20 -0.87 0.00 0.00 176.83 175.02 3gqc n ASN 449 N -3.87 3.43 -0.30 4.97 2.85 -1.26 -4.86 115.26 116.23 3gqc n ASN 449 Ca -0.03 1.05 0.07 0.00 -0.11 0.00 0.00 54.58 55.56 3gqc n ASN 449 Cb 0.66 -1.46 0.22 0.00 1.24 0.00 0.00 39.78 40.44 3gqc n ASN 449 CO 0.00 0.00 0.00 0.08 -2.11 0.00 0.00 177.26 175.23 3gqc h ARG 450 N 6.89 0.61 0.00 1.20 -0.00 -1.96 -3.45 114.38 117.68 3gqc h ARG 450 Ca -0.45 -0.04 0.00 0.00 -0.00 0.00 0.00 59.98 59.49 3gqc h ARG 450 Cb 1.24 -0.14 0.00 0.00 -0.00 0.00 0.00 29.97 31.07 3gqc h ARG 450 CO 0.92 0.40 0.00 0.41 -0.00 0.00 0.00 179.97 181.70 3gqc n GLY 451 N -1.32 0.05 0.37 0.08 0.00 -1.26 -4.78 105.19 98.32 3gqc n GLY 451 Ca 0.17 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.21 3gqc n GLY 451 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3gqc h THR 452 N 0.00 1.12 0.00 2.61 1.35 -1.99 -3.47 112.91 112.53 3gqc h THR 452 Ca 0.00 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3gqc h THR 452 Cb 0.00 -0.17 0.00 0.00 -1.73 0.00 0.00 68.15 66.25 3gqc h THR 452 CO 0.00 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 3gqc n GLY 453 N -1.38 0.50 3.58 5.82 0.00 -1.26 -5.05 105.19 107.41 3gqc n GLY 453 Ca 0.14 -0.10 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3gqc n GLY 453 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gqc s ARG 454 N -0.20 2.10 0.10 1.61 1.81 -1.26 -0.91 118.95 122.19 3gqc s ARG 454 Ca 0.00 -1.23 0.03 0.00 -1.72 0.00 0.00 55.73 52.81 3gqc s ARG 454 Cb 0.00 -2.19 -0.04 0.00 -0.45 0.00 0.00 34.95 32.27 3gqc s ARG 454 CO 0.00 0.44 -0.08 0.00 -0.68 0.00 0.00 175.30 174.99 3gqc s ALA 455 N -1.65 1.03 0.27 2.13 0.00 0.25 -4.53 121.76 119.26 3gqc s ALA 455 Ca 0.25 -1.27 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 3gqc s ALA 455 Cb -0.09 0.11 -0.14 0.00 0.00 0.00 0.00 23.12 23.00 3gqc s ALA 455 CO 0.15 -0.15 1.24 -2.30 0.00 0.00 0.00 175.76 174.70 3gqc n PRO 456 N 0.22 1.76 -1.61 0.00 -0.02 -1.26 -4.60 135.00 129.48 3gqc n PRO 456 Ca -0.14 0.62 -0.48 0.00 -2.02 0.00 0.00 63.50 61.49 3gqc n PRO 456 Cb 0.59 -2.16 -0.04 0.00 -0.02 0.00 0.00 33.50 31.88 3gqc n PRO 456 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3gqc n LEU 457 N 1.52 2.10 -3.94 2.45 7.94 -1.26 -4.86 117.00 120.94 3gqc n LEU 457 Ca 0.10 1.14 -0.30 0.00 -1.11 0.00 0.00 56.01 55.84 3gqc n LEU 457 Cb 0.32 -1.29 -0.12 0.00 0.53 0.00 0.00 43.42 42.86 3gqc n LEU 457 CO 0.62 -0.97 -0.04 -0.13 -1.11 0.00 0.00 177.39 175.75 3gqc s ARG 458 N -0.22 2.40 0.33 1.96 0.52 -1.25 -5.09 118.95 117.60 3gqc s ARG 458 Ca 0.73 -3.10 -0.28 0.00 -0.52 0.00 0.00 55.73 52.56 3gqc s ARG 458 Cb -0.79 -3.45 -0.10 0.00 0.52 0.00 0.00 34.95 31.13 3gqc s ARG 458 CO 0.50 -1.23 1.25 -1.25 0.02 0.00 0.00 175.30 174.59 3gqc s PRO 459 N -1.04 4.36 0.00 3.54 0.04 -1.26 -1.88 135.00 138.76 3gqc s PRO 459 Ca 0.22 2.08 0.00 0.00 0.04 0.00 0.00 61.00 63.35 3gqc s PRO 459 Cb -0.12 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.38 3gqc s PRO 459 CO -0.11 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.21 3gqc n GLY 460 N 0.86 2.25 3.88 0.56 0.00 -1.26 -4.97 105.19 106.51 3gqc n GLY 460 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3gqc n GLY 460 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqc s ALA 461 N -2.35 3.09 -0.38 4.61 0.00 -0.79 -4.25 121.76 121.70 3gqc s ALA 461 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 51.96 51.78 3gqc s ALA 461 Cb 0.00 -3.01 0.15 0.00 0.00 0.00 0.00 23.12 20.26 3gqc s ALA 461 CO 0.00 -0.75 0.26 1.21 0.00 0.00 0.00 175.76 176.48 3gqc s ASN 462 N -4.21 2.53 0.37 0.00 3.84 -1.26 -4.99 114.94 111.21 3gqc s ASN 462 Ca 0.55 -2.54 0.07 0.00 0.21 0.00 0.00 52.86 51.15 3gqc s ASN 462 Cb -0.11 -0.47 0.71 0.00 -0.55 0.00 0.00 41.25 40.82 3gqc s ASN 462 CO 0.53 -0.26 1.90 -0.65 -2.79 0.00 0.00 177.10 175.83 3gqc h PRO 463 N 6.51 0.38 0.12 0.43 0.11 -1.94 -2.53 132.00 135.08 3gqc h PRO 463 Ca 0.13 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 3gqc h PRO 463 Cb 0.94 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3gqc h PRO 463 CO 0.32 0.46 -0.06 1.96 -0.21 0.00 0.00 178.00 180.47 3gqc h GLN 464 N 0.37 -0.16 -0.82 1.05 7.50 -1.98 -1.01 115.11 120.06 3gqc h GLN 464 Ca 0.08 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.24 3gqc h GLN 464 Cb 0.33 0.04 -0.04 0.00 0.05 0.00 0.00 27.48 27.86 3gqc h GLN 464 CO 0.01 -0.03 0.53 1.25 -1.50 0.00 0.00 178.83 179.10 3gqc h LEU 465 N -0.26 0.96 -0.81 1.46 5.85 -1.94 -0.76 115.31 119.82 3gqc h LEU 465 Ca -0.02 -0.04 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 3gqc h LEU 465 Cb 0.21 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 3gqc h LEU 465 CO 0.03 0.71 -0.38 -0.33 -0.34 0.00 0.00 178.44 178.13 3gqc h GLU 466 N 1.12 0.44 -0.12 1.25 5.08 -1.32 -1.23 114.58 119.80 3gqc h GLU 466 Ca 0.30 -0.21 -0.17 0.00 -1.00 0.00 0.00 59.36 58.29 3gqc h GLU 466 Cb -0.11 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.15 3gqc h GLU 466 CO -0.06 0.76 -0.57 2.35 -1.00 0.00 0.00 179.01 180.48 3gqc h TRP 467 N 0.37 0.80 -0.25 4.33 2.91 -0.85 -1.31 115.95 121.95 3gqc h TRP 467 Ca 0.04 -0.35 0.02 0.00 1.13 0.00 0.00 58.89 59.72 3gqc h TRP 467 Cb 0.83 -0.12 -0.02 0.00 -0.51 0.00 0.00 29.16 29.34 3gqc h TRP 467 CO 0.03 1.15 0.13 0.37 -1.03 0.00 0.00 178.44 179.08 3gqc h GLN 468 N 0.23 0.26 -0.41 2.65 4.15 -1.09 0.10 115.11 121.00 3gqc h GLN 468 Ca -0.04 -0.02 0.02 0.00 0.77 0.00 0.00 58.65 59.39 3gqc h GLN 468 Cb 1.21 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 3gqc h GLN 468 CO 0.12 0.17 0.28 -0.92 -1.93 0.00 0.00 178.83 176.55 3gqc h TYR 469 N 0.27 0.45 -0.24 3.99 3.20 -1.20 0.24 116.97 123.68 3gqc h TYR 469 Ca 0.10 0.01 -0.17 0.00 3.14 0.00 0.00 58.73 61.81 3gqc h TYR 469 Cb 0.02 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 38.14 3gqc h TYR 469 CO -0.09 0.27 -0.54 -0.92 -1.64 0.00 0.00 178.16 175.23 3gqc h TYR 470 N 0.47 0.89 0.06 -3.82 3.20 -0.61 -2.60 116.97 114.56 3gqc h TYR 470 Ca 0.16 -0.31 -0.24 0.00 3.14 0.00 0.00 58.73 61.48 3gqc h TYR 470 Cb 0.08 -0.17 -0.00 0.00 1.54 0.00 0.00 36.73 38.18 3gqc h TYR 470 CO -0.00 1.09 -1.08 1.96 -1.64 0.00 0.00 178.16 178.49 3gqc h GLN 471 N 0.54 0.26 0.00 1.82 4.20 -0.27 0.18 115.11 121.85 3gqc h GLN 471 Ca 0.01 -0.37 0.00 0.00 0.06 0.00 0.00 58.65 58.35 3gqc h GLN 471 Cb 1.12 0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.02 3gqc h GLN 471 CO 0.11 1.12 0.00 0.09 -0.67 0.00 0.00 178.83 179.48 3gqc n ASN 472 N -3.59 0.00 0.30 1.46 4.13 0.78 -3.68 115.26 114.66 3gqc n ASN 472 Ca -0.06 0.00 0.18 0.00 1.68 0.00 0.00 54.58 56.37 3gqc n ASN 472 Cb 0.93 0.00 0.97 0.00 -1.54 0.00 0.00 39.78 40.14 3gqc n ASN 472 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 3gqc h LYS 473 N 0.00 0.00 0.00 3.52 6.56 -1.69 -1.97 116.57 122.99 3gqc h LYS 473 Ca 0.00 0.00 -0.21 0.00 -1.06 0.00 0.00 60.65 59.38 3gqc h LYS 473 Cb 0.00 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.63 3gqc h LYS 473 CO 0.00 0.02 -1.67 -0.89 -2.06 0.00 0.00 179.45 174.85 3gqc n ILE 474 N -3.48 1.49 0.29 1.86 -0.00 -1.17 -3.85 119.36 114.50 3gqc n ILE 474 Ca -0.03 -0.09 0.13 0.00 -0.00 0.00 0.00 62.75 62.76 3gqc n ILE 474 Cb 0.12 -2.12 0.58 0.00 -0.00 0.00 0.00 39.64 38.23 3gqc n ILE 474 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 3gqc h LEU 475 N -0.97 0.00 0.00 1.39 4.07 -0.75 -3.43 115.31 115.61 3gqc h LEU 475 Ca -0.31 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.65 3gqc h LEU 475 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 3gqc h LEU 475 CO -0.19 0.00 0.00 0.29 -1.08 0.00 0.00 178.44 177.46 3gqc n LYS 476 N -2.35 0.55 -0.60 1.13 5.02 -0.74 -4.83 118.16 116.34 3gqc n LYS 476 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.35 3gqc n LYS 476 Cb 0.15 0.00 0.21 0.00 -0.02 0.00 0.00 35.03 35.37 3gqc n LYS 476 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gqc n GLY 477 N 4.86 5.12 3.51 0.72 0.00 -1.24 -4.42 105.19 113.73 3gqc n GLY 477 Ca 0.00 -1.30 -0.54 0.00 0.00 0.00 0.00 46.02 44.19 3gqc n GLY 477 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3gqc n ILE 499 N -1.13 0.64 -0.33 -0.61 0.13 -1.26 -4.80 119.36 112.01 3gqc n ILE 499 Ca 0.20 -0.16 0.16 0.00 -1.10 0.00 0.00 62.75 61.85 3gqc n ILE 499 Cb 0.72 -0.28 0.39 0.00 -0.84 0.00 0.00 39.64 39.63 3gqc n ILE 499 CO 0.00 0.00 0.00 -0.78 2.80 0.00 0.00 176.55 178.57 3gqc h ASP 500 N 2.81 0.66 0.86 9.51 1.82 -2.03 -2.65 116.42 127.40 3gqc h ASP 500 Ca -0.44 0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.29 3gqc h ASP 500 Cb 1.40 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 41.39 3gqc h ASP 500 CO 0.66 0.21 0.00 -1.54 -1.61 0.00 0.00 179.24 176.96 3gqc n SER 501 N -4.71 0.26 -0.07 2.28 3.41 -1.26 -3.15 113.62 110.38 3gqc n SER 501 Ca 0.23 0.54 0.01 0.00 -0.26 0.00 0.00 58.87 59.39 3gqc n SER 501 Cb 0.66 -0.61 0.01 0.00 -0.26 0.00 0.00 64.21 64.02 3gqc n SER 501 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3gqc n VAL 502 N -1.77 0.32 -2.26 -3.33 0.24 -1.00 -3.76 118.33 106.76 3gqc n VAL 502 Ca 0.05 -0.66 -0.38 0.00 -2.04 0.00 0.00 64.34 61.31 3gqc n VAL 502 Cb 0.28 0.87 -0.01 0.00 -1.47 0.00 0.00 33.84 33.50 3gqc n VAL 502 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3gqc s LEU 503 N -0.41 4.10 0.08 1.34 1.02 -1.19 0.87 118.68 124.50 3gqc s LEU 503 Ca 0.02 2.34 -0.31 0.00 0.02 0.00 0.00 54.13 56.20 3gqc s LEU 503 Cb 0.01 -4.13 -0.07 0.00 0.02 0.00 0.00 46.19 42.02 3gqc s LEU 503 CO 0.02 -0.81 1.40 -0.55 0.02 0.00 0.00 176.35 176.44 3gqc s SER 504 N -1.23 6.83 -0.19 2.29 0.15 -0.09 -4.28 113.70 117.18 3gqc s SER 504 Ca 0.60 2.26 0.15 0.00 0.70 0.00 0.00 55.95 59.67 3gqc s SER 504 Cb -0.30 -2.58 0.69 0.00 -1.71 0.00 0.00 66.02 62.13 3gqc s SER 504 CO 0.37 -0.68 1.61 0.54 1.20 0.00 0.00 173.24 176.27 3gqc n ARG 505 N 4.48 4.00 -2.07 5.44 1.74 -1.26 -0.83 116.66 128.15 3gqc n ARG 505 Ca 0.12 -2.97 -0.41 0.00 -0.77 0.00 0.00 57.85 53.82 3gqc n ARG 505 Cb 0.43 -2.03 -0.02 0.00 -1.02 0.00 0.00 32.46 29.82 3gqc n ARG 505 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gqc s ALA 506 N -2.55 3.55 0.40 7.54 0.00 -1.26 -4.83 121.76 124.61 3gqc s ALA 506 Ca 0.49 1.29 -0.23 0.00 0.00 0.00 0.00 51.96 53.50 3gqc s ALA 506 Cb 0.37 -3.51 -0.10 0.00 0.00 0.00 0.00 23.12 19.88 3gqc s ALA 506 CO 0.15 -0.69 1.00 -1.21 0.00 0.00 0.00 175.76 175.01 3gqc s GLU 507 N -1.22 4.24 -0.26 0.00 2.02 -1.26 -0.92 118.70 121.29 3gqc s GLU 507 Ca 0.53 1.36 -0.24 0.00 0.02 0.00 0.00 54.97 56.63 3gqc s GLU 507 Cb -0.41 -2.46 -0.00 0.00 0.10 0.00 0.00 34.13 31.36 3gqc s GLU 507 CO 0.49 -0.05 0.82 0.42 0.02 0.00 0.00 175.26 176.97 3gqc s ILE 508 N -1.81 4.81 0.07 -1.63 1.01 0.10 -4.45 121.20 119.30 3gqc s ILE 508 Ca 0.58 1.46 -0.13 0.00 0.00 0.00 0.00 60.65 62.56 3gqc s ILE 508 Cb -0.17 -4.13 -0.27 0.00 0.01 0.00 0.00 42.46 37.89 3gqc s ILE 508 CO 0.22 -0.14 1.14 0.00 0.00 0.00 0.00 174.94 176.17 3gqc h ALA 509 N 7.82 0.06 -2.66 9.38 0.00 -1.05 0.66 119.26 133.47 3gqc h ALA 509 Ca -0.23 -0.76 -0.11 0.00 0.00 0.00 0.00 54.91 53.80 3gqc h ALA 509 Cb 1.09 0.09 -0.24 0.00 0.00 0.00 0.00 17.79 18.73 3gqc h ALA 509 CO 0.88 0.72 -0.20 0.45 0.00 0.00 0.00 179.25 181.10 3gqc s SER 510 N -7.36 -0.46 0.07 0.00 0.15 -1.24 -4.61 113.70 100.25 3gqc s SER 510 Ca -0.09 0.89 0.06 0.00 0.70 0.00 0.00 55.95 57.51 3gqc s SER 510 Cb 0.06 0.90 -0.03 0.00 -1.71 0.00 0.00 66.02 65.25 3gqc s SER 510 CO 0.92 -0.15 -0.15 0.00 1.20 0.00 0.00 173.24 175.06 3gqc s SER 512 N -1.69 1.57 0.25 0.00 1.04 0.45 -4.80 113.70 110.52 3gqc s SER 512 Ca -0.00 1.41 0.08 0.00 0.48 0.00 0.00 55.95 57.91 3gqc s SER 512 Cb -0.10 -2.15 0.29 0.00 0.10 0.00 0.00 66.02 64.16 3gqc s SER 512 CO 0.02 -3.82 1.58 1.88 0.98 0.00 0.00 173.24 173.88 3gqc h TYR 513 N -2.36 0.14 -0.29 5.02 0.05 -1.91 -2.04 116.97 115.58 3gqc h TYR 513 Ca -0.59 -0.06 0.06 0.00 0.05 0.00 0.00 58.73 58.20 3gqc h TYR 513 Cb 1.33 -0.02 -0.06 0.00 1.01 0.00 0.00 36.73 38.98 3gqc h TYR 513 CO 0.28 0.70 -0.13 0.93 -1.05 0.00 0.00 178.16 178.89 3gqc h GLU 514 N 0.08 -0.09 -0.33 4.88 3.07 -1.93 -1.79 114.58 118.48 3gqc h GLU 514 Ca -0.01 0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.81 3gqc h GLU 514 Cb 1.12 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.04 3gqc h GLU 514 CO 0.09 -0.06 0.00 0.00 -1.40 0.00 0.00 179.01 177.64 3gqc h ALA 515 N 1.15 1.40 0.00 3.43 0.00 -1.75 -2.43 119.26 121.05 3gqc h ALA 515 Ca 0.15 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 3gqc h ALA 515 Cb 0.32 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3gqc h ALA 515 CO -0.35 0.42 -0.39 0.00 0.00 0.00 0.00 179.25 178.94 3gqc h ARG 516 N 0.48 0.00 -0.06 0.00 3.08 -0.67 -3.00 114.38 114.21 3gqc h ARG 516 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3gqc h ARG 516 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3gqc h ARG 516 CO 0.01 0.39 0.00 0.94 -1.07 0.00 0.00 179.97 180.24 3gqc n GLN 517 N -3.99 0.35 0.00 0.04 -0.06 -0.74 -1.55 117.38 111.43 3gqc n GLN 517 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.98 3gqc n GLN 517 Cb 0.43 -1.03 0.00 0.00 -4.06 0.00 0.00 30.24 25.58 3gqc n GLN 517 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 3gqc n LEU 518 N -0.36 0.00 0.00 1.69 4.77 -1.14 -5.03 117.00 116.93 3gqc n LEU 518 Ca 0.00 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3gqc n LEU 518 Cb 0.01 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.10 3gqc n LEU 518 CO 0.00 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.68 3gqc n GLY 519 N 0.00 1.99 3.70 -0.72 0.00 -0.59 -4.92 105.19 104.65 3gqc n GLY 519 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3gqc n GLY 519 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gqc n ILE 520 N -2.00 0.14 -4.23 -0.61 5.41 -1.21 -5.00 119.36 111.85 3gqc n ILE 520 Ca 0.00 -0.02 -0.13 0.00 1.00 0.00 0.00 62.75 63.60 3gqc n ILE 520 Cb 0.00 -1.98 -0.10 0.00 -0.71 0.00 0.00 39.64 36.85 3gqc n ILE 520 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 3gqc s LYS 521 N 1.73 1.05 0.25 0.38 3.01 -1.26 -3.87 119.74 121.02 3gqc s LYS 521 Ca 0.78 -1.49 -0.31 0.00 -1.01 0.00 0.00 55.97 53.94 3gqc s LYS 521 Cb -0.52 -0.26 -0.13 0.00 -1.01 0.00 0.00 37.83 35.91 3gqc s LYS 521 CO 0.35 -0.10 1.51 0.09 0.51 0.00 0.00 175.35 177.70 3gqc n ASN 522 N -0.20 3.24 0.00 2.83 3.02 -1.26 -2.67 115.26 120.22 3gqc n ASN 522 Ca -0.08 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.61 3gqc n ASN 522 Cb 0.63 -1.49 0.00 0.00 -0.61 0.00 0.00 39.78 38.30 3gqc n ASN 522 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gqc n GLY 523 N 2.37 0.73 3.81 7.41 0.00 0.22 -5.02 105.19 114.72 3gqc n GLY 523 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3gqc n GLY 523 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gqc s MET 524 N -0.61 4.33 0.26 1.61 0.00 -1.09 -4.74 119.30 119.05 3gqc s MET 524 Ca 0.00 0.97 -0.30 0.00 0.00 0.00 0.00 55.69 56.36 3gqc s MET 524 Cb 0.00 -2.89 -0.10 0.00 0.00 0.00 0.00 34.83 31.85 3gqc s MET 524 CO 0.00 0.38 1.35 -0.06 0.00 0.00 0.00 175.02 176.69 3gqc s PHE 525 N -1.52 3.11 0.23 4.11 0.08 -1.26 -0.72 117.98 122.01 3gqc s PHE 525 Ca 0.44 1.22 -0.06 0.00 0.12 0.00 0.00 56.93 58.65 3gqc s PHE 525 Cb -0.17 -3.70 0.22 0.00 -0.57 0.00 0.00 43.02 38.80 3gqc s PHE 525 CO 0.22 -2.13 1.75 0.35 -0.10 0.00 0.00 175.22 175.31 3gqc h PHE 526 N 4.60 1.06 -0.35 0.36 3.04 -1.07 -1.73 116.94 122.85 3gqc h PHE 526 Ca -0.46 -0.12 0.08 0.00 3.98 0.00 0.00 57.97 61.44 3gqc h PHE 526 Cb 1.22 -0.30 -0.08 0.00 2.56 0.00 0.00 35.95 39.35 3gqc h PHE 526 CO 0.59 0.88 -0.25 0.78 -2.02 0.00 0.00 178.31 178.30 3gqc h GLY 527 N 1.04 -0.09 0.84 2.40 0.00 -1.16 -1.41 103.07 104.69 3gqc h GLY 527 Ca 0.20 0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.84 3gqc h GLY 527 CO 0.00 -0.20 0.03 0.84 0.00 0.00 0.00 176.54 177.21 3gqc h HIS 528 N -0.20 0.13 -0.62 5.60 -0.00 -1.66 -3.10 115.15 115.30 3gqc h HIS 528 Ca 0.17 -0.01 0.13 0.00 -0.00 0.00 0.00 60.37 60.66 3gqc h HIS 528 Cb 0.47 -0.04 -0.11 0.00 -0.00 0.00 0.00 27.41 27.74 3gqc h HIS 528 CO -0.45 0.26 -0.06 0.00 -0.00 0.00 0.00 177.93 177.69 3gqc h ALA 529 N 0.85 0.54 0.00 5.26 0.00 -1.11 0.41 119.26 125.20 3gqc h ALA 529 Ca 0.03 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3gqc h ALA 529 Cb 0.20 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3gqc h ALA 529 CO -0.00 -0.41 0.00 1.17 0.00 0.00 0.00 179.25 180.01 3gqc n LYS 530 N -5.34 0.21 -0.05 0.00 4.81 -0.55 -0.64 118.16 116.60 3gqc n LYS 530 Ca 0.09 0.14 -0.21 0.00 -0.87 0.00 0.00 58.31 57.46 3gqc n LYS 530 Cb 0.35 -1.50 -0.13 0.00 0.02 0.00 0.00 35.03 33.77 3gqc n LYS 530 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 3gqc h GLN 531 N 0.00 0.12 -0.54 1.64 4.20 -0.15 -3.13 115.11 117.25 3gqc h GLN 531 Ca 0.00 -0.20 0.02 0.00 0.06 0.00 0.00 58.65 58.53 3gqc h GLN 531 Cb 0.12 0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 3gqc h GLN 531 CO 0.00 1.10 0.36 -0.07 -0.67 0.00 0.00 178.83 179.54 3gqc h LEU 532 N -0.58 0.58 -6.10 1.46 3.38 -0.61 -3.38 115.31 110.05 3gqc h LEU 532 Ca -0.35 -0.01 -0.48 0.00 0.09 0.00 0.00 57.88 57.12 3gqc h LEU 532 Cb 1.58 -0.14 -0.33 0.00 0.09 0.00 0.00 40.66 41.86 3gqc h LEU 532 CO -0.08 0.41 -0.85 0.00 0.09 0.00 0.00 178.44 178.02 3gqc h PRO 534 N 5.73 0.00 -0.47 0.00 0.11 -1.74 0.11 132.00 135.75 3gqc h PRO 534 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3gqc h PRO 534 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 3gqc h PRO 534 CO 0.27 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.33 3gqc n ASN 535 N -3.27 2.52 -4.66 -2.05 6.94 -1.26 -4.94 115.26 108.53 3gqc n ASN 535 Ca 0.09 -2.00 -0.48 0.00 -0.02 0.00 0.00 54.58 52.17 3gqc n ASN 535 Cb 0.85 -0.31 -0.05 0.00 -2.36 0.00 0.00 39.78 37.91 3gqc n ASN 535 CO 0.00 0.00 0.00 -0.11 -1.03 0.00 0.00 177.26 176.12 3gqc n LEU 536 N 0.88 2.92 -4.76 -4.53 0.00 0.40 -4.73 117.00 107.18 3gqc n LEU 536 Ca 0.16 1.06 -0.37 0.00 0.00 0.00 0.00 56.01 56.86 3gqc n LEU 536 Cb 0.40 -1.36 -0.07 0.00 0.00 0.00 0.00 43.42 42.40 3gqc n LEU 536 CO 0.11 -0.35 0.03 -1.10 0.00 0.00 0.00 177.39 176.08 3gqc s GLN 537 N 1.84 4.13 -0.05 1.96 -1.52 0.57 -4.97 119.66 121.63 3gqc s GLN 537 Ca 0.85 0.21 -0.12 0.00 -1.95 0.00 0.00 55.36 54.35 3gqc s GLN 537 Cb -0.75 -3.36 -0.05 0.00 -0.22 0.00 0.00 33.01 28.63 3gqc s GLN 537 CO 0.45 0.37 0.31 0.00 -0.25 0.00 0.00 175.29 176.17 3gqc s ALA 538 N 0.03 3.75 -0.04 6.09 0.00 -1.26 0.31 121.76 130.65 3gqc s ALA 538 Ca 0.20 -0.37 0.02 0.00 0.00 0.00 0.00 51.96 51.80 3gqc s ALA 538 Cb -0.14 -2.25 0.01 0.00 0.00 0.00 0.00 23.12 20.74 3gqc s ALA 538 CO 0.07 0.50 -0.07 0.08 0.00 0.00 0.00 175.76 176.34 3gqc s VAL 539 N -0.96 0.70 0.66 0.00 1.01 0.58 -4.91 120.40 117.49 3gqc s VAL 539 Ca 0.20 -0.27 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 3gqc s VAL 539 Cb -0.15 -0.66 -0.00 0.00 0.00 0.00 0.00 36.38 35.57 3gqc s VAL 539 CO 0.10 0.24 1.08 -2.16 0.00 0.00 0.00 175.10 174.36 3gqc s PRO 540 N 0.50 2.90 0.64 2.72 0.04 -1.26 -1.90 135.00 138.65 3gqc s PRO 540 Ca -0.08 1.22 -0.18 0.00 0.04 0.00 0.00 61.00 62.00 3gqc s PRO 540 Cb -0.11 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 3gqc s PRO 540 CO 0.01 -1.15 1.25 0.71 0.04 0.00 0.00 177.00 177.86 3gqc s TYR 541 N -2.59 2.17 -0.40 0.56 1.51 -1.26 -4.86 117.35 112.49 3gqc s TYR 541 Ca 0.63 1.51 0.03 0.00 -1.01 0.00 0.00 57.07 58.24 3gqc s TYR 541 Cb -0.17 -3.59 0.16 0.00 -0.11 0.00 0.00 41.96 38.25 3gqc s TYR 541 CO 0.45 -2.64 0.35 0.34 -1.11 0.00 0.00 175.55 172.93 3gqc s ASP 542 N -1.56 1.49 0.28 2.29 -1.08 -1.26 -5.03 116.67 111.79 3gqc s ASP 542 Ca 0.80 -2.41 0.01 0.00 -0.52 0.00 0.00 52.55 50.43 3gqc s ASP 542 Cb -0.34 0.01 0.40 0.00 -1.46 0.00 0.00 42.92 41.53 3gqc s ASP 542 CO 0.38 -0.21 1.76 -0.26 0.52 0.00 0.00 175.17 177.36 3gqc h PHE 543 N 6.23 0.68 -0.31 -5.34 0.05 -1.98 -2.78 116.94 113.48 3gqc h PHE 543 Ca 0.15 -0.11 -0.00 0.00 3.82 0.00 0.00 57.97 61.83 3gqc h PHE 543 Cb 0.97 -0.18 -0.01 0.00 2.00 0.00 0.00 35.95 38.73 3gqc h PHE 543 CO 0.31 0.71 0.19 1.25 -0.18 0.00 0.00 178.31 180.59 3gqc h HIS 544 N 0.58 0.40 -0.74 -0.55 2.76 -1.99 -2.18 115.15 113.42 3gqc h HIS 544 Ca 0.10 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.25 3gqc h HIS 544 Cb 0.53 -0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.32 3gqc h HIS 544 CO 0.02 0.29 0.35 0.00 -1.30 0.00 0.00 177.93 177.29 3gqc h ALA 545 N 1.08 1.22 -0.16 5.26 0.00 -1.94 -1.52 119.26 123.20 3gqc h ALA 545 Ca 0.11 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3gqc h ALA 545 Cb -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3gqc h ALA 545 CO -0.02 0.60 -0.34 1.88 0.00 0.00 0.00 179.25 181.36 3gqc h TYR 546 N 1.06 0.65 -0.83 0.00 0.05 -1.40 -1.21 116.97 115.29 3gqc h TYR 546 Ca 0.26 -0.24 0.08 0.00 0.05 0.00 0.00 58.73 58.88 3gqc h TYR 546 Cb 0.12 -0.12 -0.07 0.00 1.01 0.00 0.00 36.73 37.67 3gqc h TYR 546 CO 0.01 0.97 0.49 -0.22 -1.05 0.00 0.00 178.16 178.36 3gqc h LYS 547 N 0.15 0.82 -0.54 4.88 3.64 -1.28 0.34 116.57 124.58 3gqc h LYS 547 Ca 0.00 -0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.26 3gqc h LYS 547 Cb 0.94 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.55 3gqc h LYS 547 CO 0.08 0.54 0.04 0.93 -2.27 0.00 0.00 179.45 178.77 3gqc h GLU 548 N 0.85 0.93 -0.08 1.90 5.08 -1.11 -1.64 114.58 120.50 3gqc h GLU 548 Ca 0.38 -0.27 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3gqc h GLU 548 Cb 0.29 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.44 3gqc h GLU 548 CO -0.22 0.92 -0.15 0.28 -1.00 0.00 0.00 179.01 178.84 3gqc h VAL 549 N 0.81 1.40 -0.85 3.13 2.07 -0.79 -1.26 116.25 120.76 3gqc h VAL 549 Ca 0.16 -1.43 0.20 0.00 0.82 0.00 0.00 66.70 66.45 3gqc h VAL 549 Cb 0.48 2.15 -0.15 0.00 -1.52 0.00 0.00 31.29 32.25 3gqc h VAL 549 CO 0.02 0.40 -0.01 0.00 0.02 0.00 0.00 177.57 178.00 3gqc h ALA 550 N 0.50 0.88 -0.20 1.67 0.00 -0.33 0.17 119.26 121.96 3gqc h ALA 550 Ca 0.00 0.28 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3gqc h ALA 550 Cb 0.73 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3gqc h ALA 550 CO 0.03 -0.46 -0.07 1.96 0.00 0.00 0.00 179.25 180.72 3gqc h GLN 551 N 0.07 0.39 -0.67 0.00 4.20 -1.22 -2.83 115.11 115.06 3gqc h GLN 551 Ca 0.47 -0.16 0.08 0.00 0.06 0.00 0.00 58.65 59.11 3gqc h GLN 551 Cb 0.87 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.59 3gqc h GLN 551 CO -0.77 0.67 0.44 1.15 -0.67 0.00 0.00 178.83 179.65 3gqc h THR 552 N 0.10 0.95 -0.24 -0.54 2.02 -0.26 -0.17 112.91 114.77 3gqc h THR 552 Ca 0.05 -0.20 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 3gqc h THR 552 Cb 0.53 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3gqc h THR 552 CO 0.02 0.11 0.07 0.25 0.37 0.00 0.00 175.52 176.34 3gqc h LEU 553 N 0.58 0.35 -0.24 2.58 5.85 -0.54 -2.03 115.31 121.86 3gqc h LEU 553 Ca 0.30 -0.21 -0.21 0.00 0.84 0.00 0.00 57.88 58.60 3gqc h LEU 553 Cb 0.42 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3gqc h LEU 553 CO -0.10 0.47 -0.83 1.88 -0.34 0.00 0.00 178.44 179.52 3gqc h TYR 554 N 0.22 0.74 -0.20 1.25 -1.99 -1.19 -2.21 116.97 113.59 3gqc h TYR 554 Ca 0.08 -0.36 0.04 0.00 2.00 0.00 0.00 58.73 60.49 3gqc h TYR 554 Cb 0.25 -0.10 -0.04 0.00 2.00 0.00 0.00 36.73 38.83 3gqc h TYR 554 CO 0.01 1.16 -0.04 0.93 -0.00 0.00 0.00 178.16 180.21 3gqc h GLU 555 N 0.34 0.01 -0.11 4.88 5.08 -1.03 0.16 114.58 123.91 3gqc h GLU 555 Ca -0.06 -0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3gqc h GLU 555 Cb 1.44 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.65 3gqc h GLU 555 CO 0.15 0.01 -0.16 1.15 -1.00 0.00 0.00 179.01 179.16 3gqc h THR 556 N 0.01 0.59 -0.76 1.13 2.02 -1.28 -1.66 112.91 112.95 3gqc h THR 556 Ca 0.10 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 3gqc h THR 556 Cb 0.15 0.59 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 3gqc h THR 556 CO -0.20 0.00 0.33 -0.07 0.37 0.00 0.00 175.52 175.95 3gqc h LEU 557 N -0.20 1.03 -2.34 2.58 3.38 -0.99 -1.91 115.31 116.85 3gqc h LEU 557 Ca 0.09 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.91 3gqc h LEU 557 Cb 0.33 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3gqc h LEU 557 CO -0.23 0.90 0.04 0.00 0.09 0.00 0.00 178.44 179.24 3gqc h ALA 558 N 1.17 1.67 0.00 1.53 0.00 -0.19 -0.07 119.26 123.37 3gqc h ALA 558 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3gqc h ALA 558 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3gqc h ALA 558 CO -0.03 -0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.03 3gqc n SER 559 N -3.96 0.00 -0.07 0.00 3.41 -0.67 -3.11 113.62 109.21 3gqc n SER 559 Ca -0.02 0.46 -0.08 0.00 -0.26 0.00 0.00 58.87 58.97 3gqc n SER 559 Cb 0.13 -0.48 -0.11 0.00 -0.26 0.00 0.00 64.21 63.50 3gqc n SER 559 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3gqc n TYR 560 N -1.48 0.00 -3.56 7.33 4.02 -0.06 -1.47 117.16 121.95 3gqc n TYR 560 Ca 0.04 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.86 3gqc n TYR 560 Cb 0.17 -0.71 -0.03 0.00 -0.02 0.00 0.00 39.34 38.75 3gqc n TYR 560 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 176.86 175.77 3gqc s THR 561 N -2.35 0.00 -2.66 -0.72 -1.32 -1.11 -4.70 115.64 102.78 3gqc s THR 561 Ca -0.09 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.64 3gqc s THR 561 Cb 0.04 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.41 3gqc s THR 561 CO 0.57 0.00 1.47 1.41 -2.21 0.00 0.00 174.62 175.86 3gqc n HIS 562 N 0.04 0.12 -1.88 9.09 8.25 -1.26 -4.10 115.22 125.47 3gqc n HIS 562 Ca -0.05 -0.06 -0.41 0.00 -0.26 0.00 0.00 57.72 56.94 3gqc n HIS 562 Cb 0.60 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.70 3gqc n HIS 562 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3gqc n ASN 563 N 0.89 7.19 -4.37 0.41 2.85 -1.26 -4.86 115.26 116.11 3gqc n ASN 563 Ca 0.17 -2.97 -0.29 0.00 -0.11 0.00 0.00 54.58 51.38 3gqc n ASN 563 Cb 0.49 -1.46 -0.13 0.00 1.24 0.00 0.00 39.78 39.92 3gqc n ASN 563 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3gqc s ILE 564 N 0.35 2.17 -0.10 -1.44 1.01 -1.26 -1.56 121.20 120.37 3gqc s ILE 564 Ca 0.54 -1.67 0.03 0.00 0.00 0.00 0.00 60.65 59.55 3gqc s ILE 564 Cb 0.16 -1.91 0.01 0.00 0.01 0.00 0.00 42.46 40.73 3gqc s ILE 564 CO -0.06 0.12 -0.17 -0.70 0.00 0.00 0.00 174.94 174.12 3gqc s GLU 565 N -1.90 2.39 -0.39 2.79 2.12 0.48 -4.32 118.70 119.89 3gqc s GLU 565 Ca 0.13 -0.64 -0.28 0.00 0.36 0.00 0.00 54.97 54.54 3gqc s GLU 565 Cb -0.10 -1.93 0.02 0.00 0.26 0.00 0.00 34.13 32.38 3gqc s GLU 565 CO 0.05 0.03 1.04 0.00 -0.54 0.00 0.00 175.26 175.83 3gqc s ALA 566 N 0.72 3.36 -0.15 6.30 0.00 -1.26 -0.77 121.76 129.96 3gqc s ALA 566 Ca -0.12 -0.34 -0.13 0.00 0.00 0.00 0.00 51.96 51.38 3gqc s ALA 566 Cb -0.16 -3.69 -0.23 0.00 0.00 0.00 0.00 23.12 19.04 3gqc s ALA 566 CO 0.02 -1.77 0.31 0.28 0.00 0.00 0.00 175.76 174.60 3gqc n VAL 567 N 6.20 1.69 -2.57 0.00 0.31 -0.55 -4.91 118.33 118.49 3gqc n VAL 567 Ca 0.10 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 3gqc n VAL 567 Cb 0.48 -1.86 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 3gqc n VAL 567 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3gqc n SER 568 N -3.87 0.00 0.20 4.52 3.41 -0.62 -4.98 113.62 112.28 3gqc n SER 568 Ca -0.32 -0.48 0.07 0.00 -0.26 0.00 0.00 58.87 57.87 3gqc n SER 568 Cb 0.90 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 65.24 3gqc n SER 568 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gqc n ASP 570 N -3.56 2.09 -3.67 0.00 5.75 -1.26 -4.56 116.55 111.33 3gqc n ASP 570 Ca -0.00 -3.28 -0.09 0.00 -0.01 0.00 0.00 54.79 51.41 3gqc n ASP 570 Cb 0.46 -0.45 -0.09 0.00 -1.03 0.00 0.00 41.12 40.01 3gqc n ASP 570 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3gqc s GLU 571 N -2.87 0.42 0.03 0.11 2.12 -1.23 -1.73 118.70 115.55 3gqc s GLU 571 Ca 0.33 0.97 -0.02 0.00 0.36 0.00 0.00 54.97 56.61 3gqc s GLU 571 Cb 0.30 0.18 -0.02 0.00 0.26 0.00 0.00 34.13 34.85 3gqc s GLU 571 CO -0.00 -0.19 0.01 0.00 -0.54 0.00 0.00 175.26 174.54 3gqc s ALA 572 N 1.97 0.10 -0.08 6.30 0.00 -0.46 -1.49 121.76 128.10 3gqc s ALA 572 Ca -0.07 -0.64 -0.08 0.00 0.00 0.00 0.00 51.96 51.17 3gqc s ALA 572 Cb -0.10 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.16 3gqc s ALA 572 CO -0.14 -0.23 0.21 -0.51 0.00 0.00 0.00 175.76 175.09 3gqc s LEU 573 N -1.82 4.41 -0.03 0.00 1.43 0.05 -0.88 118.68 121.84 3gqc s LEU 573 Ca -0.10 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.60 3gqc s LEU 573 Cb -0.05 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.94 3gqc s LEU 573 CO -0.03 0.38 -0.07 -0.69 0.23 0.00 0.00 176.35 176.17 3gqc s VAL 574 N -1.07 0.66 -0.36 -1.59 1.01 0.11 -0.38 120.40 118.78 3gqc s VAL 574 Ca 0.18 -0.26 -0.18 0.00 0.00 0.00 0.00 61.98 61.72 3gqc s VAL 574 Cb -0.13 -0.61 -0.00 0.00 0.00 0.00 0.00 36.38 35.64 3gqc s VAL 574 CO 0.07 0.22 0.50 -0.62 0.00 0.00 0.00 175.10 175.28 3gqc s ASP 575 N 0.40 6.30 -0.04 3.32 -1.08 -0.60 -0.18 116.67 124.79 3gqc s ASP 575 Ca -0.06 -0.09 0.12 0.00 -0.52 0.00 0.00 52.55 52.00 3gqc s ASP 575 Cb -0.10 -2.26 0.34 0.00 -1.46 0.00 0.00 42.92 39.44 3gqc s ASP 575 CO 0.00 -0.49 1.28 2.30 0.52 0.00 0.00 175.17 178.79 3gqc n ILE 576 N 5.43 1.26 -0.17 4.11 -5.35 -0.70 -4.63 119.36 119.32 3gqc n ILE 576 Ca -0.05 -1.18 -0.01 0.00 -0.27 0.00 0.00 62.75 61.24 3gqc n ILE 576 Cb 0.49 0.35 0.08 0.00 -1.74 0.00 0.00 39.64 38.82 3gqc n ILE 576 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 3gqc h THR 577 N 1.93 0.70 0.44 7.28 2.02 -1.92 -1.66 112.91 121.70 3gqc h THR 577 Ca 0.00 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 3gqc h THR 577 Cb 0.87 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 3gqc h THR 577 CO 0.05 0.05 -0.21 -0.33 0.37 0.00 0.00 175.52 175.44 3gqc h GLU 578 N 0.25 -0.57 -0.66 6.66 5.08 -1.94 -2.87 114.58 120.53 3gqc h GLU 578 Ca 0.27 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.80 3gqc h GLU 578 Cb 0.38 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 29.66 3gqc h GLU 578 CO -0.35 -0.31 0.14 0.82 -1.00 0.00 0.00 179.01 178.31 3gqc h ILE 579 N -0.73 0.57 -0.06 3.13 2.04 -1.81 0.26 117.51 120.91 3gqc h ILE 579 Ca -0.06 -0.09 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 3gqc h ILE 579 Cb 0.52 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 3gqc h ILE 579 CO 0.10 0.05 -0.24 -0.07 0.00 0.00 0.00 178.15 177.98 3gqc h LEU 580 N 0.25 0.10 -0.05 1.44 3.38 -1.31 0.13 115.31 119.26 3gqc h LEU 580 Ca 0.36 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 58.12 3gqc h LEU 580 Cb 0.57 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.31 3gqc h LEU 580 CO -0.46 0.35 -0.68 0.00 0.09 0.00 0.00 178.44 177.74 3gqc h ALA 581 N 1.66 0.15 0.15 1.53 0.00 -0.95 -1.66 119.26 120.14 3gqc h ALA 581 Ca 0.02 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.34 3gqc h ALA 581 Cb 0.49 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3gqc h ALA 581 CO 0.03 0.47 -0.07 1.05 0.00 0.00 0.00 179.25 180.73 3gqc h GLU 582 N 0.15 -0.19 0.00 0.00 9.09 -0.61 -3.31 114.58 119.71 3gqc h GLU 582 Ca -0.07 0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.35 3gqc h GLU 582 Cb 1.35 0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.49 3gqc h GLU 582 CO 0.14 0.24 0.00 1.79 0.05 0.00 0.00 179.01 181.23 3gqc h THR 583 N -0.72 0.00 -1.86 -1.06 1.35 -0.90 -3.48 112.91 106.25 3gqc h THR 583 Ca -0.02 -0.63 -0.38 0.00 -0.55 0.00 0.00 66.41 64.83 3gqc h THR 583 Cb 0.52 1.61 -0.08 0.00 -1.73 0.00 0.00 68.15 68.46 3gqc h THR 583 CO 0.03 0.00 -0.42 2.29 -0.25 0.00 0.00 175.52 177.17 3gqc n LYS 584 N -2.58 -1.42 -3.48 4.72 -0.00 -0.63 -4.95 118.16 109.83 3gqc n LYS 584 Ca 0.05 1.04 -0.34 0.00 -0.00 0.00 0.00 58.31 59.05 3gqc n LYS 584 Cb 0.44 -5.47 -0.05 0.00 -0.00 0.00 0.00 35.03 29.94 3gqc n LYS 584 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3gqc s LEU 585 N -4.92 4.30 0.62 -5.58 1.43 -1.21 -5.04 118.68 108.28 3gqc s LEU 585 Ca 0.00 0.89 -0.17 0.00 -1.03 0.00 0.00 54.13 53.82 3gqc s LEU 585 Cb 0.00 -3.26 -0.02 0.00 0.03 0.00 0.00 46.19 42.94 3gqc s LEU 585 CO 0.00 0.08 1.16 0.42 0.23 0.00 0.00 176.35 178.25 3gqc s THR 586 N -1.54 2.86 0.31 5.49 -4.23 -1.26 -4.72 115.64 112.55 3gqc s THR 586 Ca 0.38 0.48 0.04 0.00 -1.18 0.00 0.00 61.69 61.42 3gqc s THR 586 Cb -0.13 -3.10 0.30 0.00 1.34 0.00 0.00 72.50 70.90 3gqc s THR 586 CO 0.20 -0.17 1.86 -0.65 -0.54 0.00 0.00 174.62 175.32 3gqc h PRO 587 N 0.57 0.86 -0.33 3.99 0.11 -1.97 -2.00 132.00 133.22 3gqc h PRO 587 Ca -0.49 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.51 3gqc h PRO 587 Cb 1.28 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3gqc h PRO 587 CO 0.54 0.57 -0.00 -0.44 -0.21 0.00 0.00 178.00 178.46 3gqc h ASP 588 N 0.89 0.58 -0.34 -2.05 3.32 -1.99 -0.42 116.42 116.41 3gqc h ASP 588 Ca 0.46 -0.31 0.06 0.00 0.02 0.00 0.00 57.03 57.26 3gqc h ASP 588 Cb 0.51 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.85 3gqc h ASP 588 CO -0.22 0.75 -0.03 -0.33 -1.72 0.00 0.00 179.24 177.69 3gqc h GLU 589 N 0.39 0.06 -0.55 3.56 5.08 -1.75 0.71 114.58 122.08 3gqc h GLU 589 Ca 0.09 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3gqc h GLU 589 Cb 0.45 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 3gqc h GLU 589 CO 0.02 0.04 0.36 0.35 -1.00 0.00 0.00 179.01 178.77 3gqc h PHE 590 N 0.06 0.67 -0.44 4.33 3.57 -1.24 -0.71 116.94 123.18 3gqc h PHE 590 Ca 0.16 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.69 3gqc h PHE 590 Cb 0.23 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 38.73 3gqc h PHE 590 CO -0.27 0.41 0.28 0.00 -2.23 0.00 0.00 178.31 176.50 3gqc h ALA 591 N 1.22 0.56 -0.22 2.41 0.00 -0.26 -0.37 119.26 122.59 3gqc h ALA 591 Ca 0.21 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3gqc h ALA 591 Cb -0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3gqc h ALA 591 CO -0.06 -0.02 0.04 -0.97 0.00 0.00 0.00 179.25 178.24 3gqc h ASN 592 N 0.57 0.01 -0.72 0.00 -1.24 -0.64 -2.04 115.58 111.52 3gqc h ASN 592 Ca 0.17 0.03 0.12 0.00 0.71 0.00 0.00 56.30 57.34 3gqc h ASN 592 Cb -0.04 0.05 -0.09 0.00 0.73 0.00 0.00 38.32 38.97 3gqc h ASN 592 CO -0.05 0.04 0.29 0.00 -1.29 0.00 0.00 177.43 176.42 3gqc h ALA 593 N 1.16 0.99 -0.23 1.57 0.00 -0.41 -0.19 119.26 122.16 3gqc h ALA 593 Ca 0.10 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.02 3gqc h ALA 593 Cb 0.10 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gqc h ALA 593 CO -0.13 -0.18 -0.23 -0.39 0.00 0.00 0.00 179.25 178.31 3gqc h VAL 594 N 0.46 1.32 -0.22 0.00 -1.51 -0.71 -1.46 116.25 114.14 3gqc h VAL 594 Ca 0.38 -1.40 0.06 0.00 -1.23 0.00 0.00 66.70 64.51 3gqc h VAL 594 Cb 0.54 1.71 -0.07 0.00 -2.13 0.00 0.00 31.29 31.34 3gqc h VAL 594 CO -0.36 0.43 -0.27 0.03 -1.23 0.00 0.00 177.57 176.17 3gqc h ARG 595 N 0.25 -0.28 -0.27 5.19 3.08 -1.11 0.13 114.38 121.35 3gqc h ARG 595 Ca 0.04 0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.16 3gqc h ARG 595 Cb 0.79 0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.85 3gqc h ARG 595 CO 0.06 -0.19 -0.04 0.52 -1.07 0.00 0.00 179.97 179.25 3gqc h MET 596 N -0.29 0.03 -0.59 0.04 2.86 -0.93 -1.22 114.93 114.82 3gqc h MET 596 Ca 0.13 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.75 3gqc h MET 596 Cb 0.49 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 3gqc h MET 596 CO -0.38 0.02 0.32 1.49 1.06 0.00 0.00 176.91 179.42 3gqc h GLU 597 N 0.03 0.83 -0.53 1.72 4.57 -0.99 -0.42 114.58 119.81 3gqc h GLU 597 Ca 0.13 -0.10 -0.02 0.00 -1.18 0.00 0.00 59.36 58.19 3gqc h GLU 597 Cb 0.19 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.60 3gqc h GLU 597 CO -0.26 0.64 0.25 0.82 -1.18 0.00 0.00 179.01 179.28 3gqc h ILE 598 N 0.81 1.20 -0.50 2.32 2.04 -0.41 -1.96 117.51 121.01 3gqc h ILE 598 Ca 0.21 -0.58 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 3gqc h ILE 598 Cb 0.06 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.72 3gqc h ILE 598 CO -0.03 0.23 0.22 0.50 0.00 0.00 0.00 178.15 179.06 3gqc h LYS 599 N 0.70 0.73 -0.98 2.37 3.64 -1.08 -1.89 116.57 120.06 3gqc h LYS 599 Ca 0.18 -0.12 0.13 0.00 -1.27 0.00 0.00 60.65 59.57 3gqc h LYS 599 Cb 0.13 -0.12 -0.08 0.00 -0.41 0.00 0.00 32.23 31.74 3gqc h LYS 599 CO -0.02 0.63 0.62 -0.44 -2.27 0.00 0.00 179.45 177.97 3gqc h ASP 600 N 0.66 0.86 0.02 4.20 3.32 -0.64 0.22 116.42 125.05 3gqc h ASP 600 Ca 0.17 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3gqc h ASP 600 Cb 0.16 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3gqc h ASP 600 CO -0.02 0.44 -0.70 1.67 -1.72 0.00 0.00 179.24 178.91 3gqc n GLN 601 N -4.62 0.62 0.00 3.56 7.27 -0.78 -4.47 117.38 118.97 3gqc n GLN 601 Ca 0.19 -0.51 0.00 0.00 0.07 0.00 0.00 57.00 56.75 3gqc n GLN 601 Cb 0.40 -1.49 0.00 0.00 2.41 0.00 0.00 30.24 31.56 3gqc n GLN 601 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 3gqc n THR 602 N -0.74 0.00 -1.55 1.69 -2.24 -0.74 -5.00 114.28 105.70 3gqc n THR 602 Ca 0.07 -0.03 -0.18 0.00 -2.27 0.00 0.00 64.05 61.64 3gqc n THR 602 Cb 0.40 0.32 -0.08 0.00 -2.10 0.00 0.00 70.33 68.87 3gqc n THR 602 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3gqc n LYS 603 N -0.64 -1.27 -4.70 -0.78 0.00 0.05 -5.00 118.16 105.83 3gqc n LYS 603 Ca 0.00 1.13 -0.25 0.00 -0.00 0.00 0.00 58.31 59.19 3gqc n LYS 603 Cb 0.00 -5.41 -0.14 0.00 -0.00 0.00 0.00 35.03 29.48 3gqc n LYS 603 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3gqc s ALA 605 N -0.70 3.68 0.01 0.00 0.00 -1.26 -3.70 121.76 119.78 3gqc s ALA 605 Ca 0.07 -0.23 0.05 0.00 0.00 0.00 0.00 51.96 51.85 3gqc s ALA 605 Cb -0.08 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.61 3gqc s ALA 605 CO 0.01 0.50 -0.15 0.00 0.00 0.00 0.00 175.76 176.12 3gqc s ALA 606 N -1.24 2.69 0.01 0.00 0.00 -1.26 -1.61 121.76 120.34 3gqc s ALA 606 Ca 0.29 -1.09 -0.01 0.00 0.00 0.00 0.00 51.96 51.15 3gqc s ALA 606 Cb -0.16 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 3gqc s ALA 606 CO 0.16 0.58 0.14 -1.12 0.00 0.00 0.00 175.76 175.52 3gqc s SER 607 N -1.21 6.06 -0.04 0.00 0.01 0.35 -4.31 113.70 114.55 3gqc s SER 607 Ca 0.14 0.24 0.06 0.00 1.31 0.00 0.00 55.95 57.70 3gqc s SER 607 Cb -0.11 -1.83 -0.01 0.00 0.21 0.00 0.00 66.02 64.29 3gqc s SER 607 CO 0.04 0.25 -0.21 -0.69 0.41 0.00 0.00 173.24 173.04 3gqc s VAL 608 N -1.30 1.75 -0.09 3.43 1.01 -0.50 -1.81 120.40 122.89 3gqc s VAL 608 Ca 0.27 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.36 3gqc s VAL 608 Cb -0.12 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.75 3gqc s VAL 608 CO 0.18 0.49 -0.16 -0.83 0.00 0.00 0.00 175.10 174.79 3gqc s GLY 609 N -0.16 1.50 -0.03 4.51 0.00 -0.34 -1.60 107.32 111.19 3gqc s GLY 609 Ca -0.01 -0.95 0.06 0.00 0.00 0.00 0.00 44.72 43.82 3gqc s GLY 609 CO 0.02 -0.49 -0.23 -0.42 0.00 0.00 0.00 173.10 171.99 3gqc s ILE 610 N -0.15 1.85 0.17 0.90 -1.09 -0.64 -0.03 121.20 122.21 3gqc s ILE 610 Ca -0.01 -0.98 -0.24 0.00 -2.23 0.00 0.00 60.65 57.18 3gqc s ILE 610 Cb -0.14 -1.55 0.06 0.00 -1.58 0.00 0.00 42.46 39.25 3gqc s ILE 610 CO 0.03 0.52 0.95 -0.83 -1.23 0.00 0.00 174.94 174.39 3gqc s GLY 611 N -0.34 -0.19 0.00 6.18 0.00 -0.58 -1.49 107.32 110.90 3gqc s GLY 611 Ca 0.03 0.06 0.31 0.00 0.00 0.00 0.00 44.72 45.12 3gqc s GLY 611 CO 0.01 0.12 2.14 -1.14 0.00 0.00 0.00 173.10 174.22 3gqc n SER 612 N -0.53 0.15 -3.59 1.64 3.41 -1.26 -0.23 113.62 113.21 3gqc n SER 612 Ca -0.06 -0.85 -0.11 0.00 -0.26 0.00 0.00 58.87 57.59 3gqc n SER 612 Cb 0.60 -0.06 -0.04 0.00 -0.26 0.00 0.00 64.21 64.46 3gqc n SER 612 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gqc s ASN 613 N -2.14 0.27 0.07 4.04 2.20 -1.26 -4.65 114.94 113.48 3gqc s ASN 613 Ca 0.42 -1.15 -0.31 0.00 -0.94 0.00 0.00 52.86 50.89 3gqc s ASN 613 Cb 0.21 0.65 -0.18 0.00 -2.00 0.00 0.00 41.25 39.94 3gqc s ASN 613 CO 0.39 -1.28 1.64 0.40 -2.94 0.00 0.00 177.10 175.32 3gqc h ILE 614 N 2.17 0.47 -0.55 0.54 2.04 -1.85 -1.37 117.51 118.96 3gqc h ILE 614 Ca -0.28 -0.01 0.10 0.00 1.00 0.00 0.00 64.86 65.68 3gqc h ILE 614 Cb 1.25 0.47 -0.11 0.00 -0.74 0.00 0.00 36.82 37.69 3gqc h ILE 614 CO 0.37 0.00 -0.27 0.25 0.00 0.00 0.00 178.15 178.50 3gqc h LEU 615 N -0.73 -0.95 -1.03 1.44 5.85 -1.95 -1.37 115.31 116.57 3gqc h LEU 615 Ca -0.07 0.20 -0.08 0.00 0.84 0.00 0.00 57.88 58.77 3gqc h LEU 615 Cb 0.56 0.50 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3gqc h LEU 615 CO 0.12 -0.28 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.68 3gqc h LEU 616 N -0.14 0.46 -0.29 2.25 3.38 -1.85 -2.33 115.31 116.79 3gqc h LEU 616 Ca 0.24 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3gqc h LEU 616 Cb 0.52 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3gqc h LEU 616 CO -0.63 0.67 0.04 0.00 0.09 0.00 0.00 178.44 178.60 3gqc h ALA 617 N 1.38 0.39 -0.97 1.53 0.00 -0.73 -1.44 119.26 119.42 3gqc h ALA 617 Ca 0.07 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.82 3gqc h ALA 617 Cb 0.58 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3gqc h ALA 617 CO 0.04 0.09 0.63 0.00 0.00 0.00 0.00 179.25 180.01 3gqc h ARG 618 N 0.30 1.16 -0.10 0.00 3.08 -1.15 -2.81 114.38 114.87 3gqc h ARG 618 Ca 0.09 -0.07 -0.21 0.00 0.07 0.00 0.00 59.98 59.86 3gqc h ARG 618 Cb 0.36 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.15 3gqc h ARG 618 CO 0.01 0.77 -0.78 0.52 -1.07 0.00 0.00 179.97 179.42 3gqc h MET 619 N 1.20 0.56 -0.70 0.04 2.86 -1.30 -3.04 114.93 114.54 3gqc h MET 619 Ca 0.40 -0.47 0.09 0.00 -2.06 0.00 0.00 59.70 57.65 3gqc h MET 619 Cb 0.05 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 3gqc h MET 619 CO -0.14 1.10 0.46 0.00 1.06 0.00 0.00 176.91 179.39 3gqc h ALA 620 N 0.76 1.84 -0.54 6.32 0.00 -1.12 -2.29 119.26 124.24 3gqc h ALA 620 Ca -0.05 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3gqc h ALA 620 Cb 1.38 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 3gqc h ALA 620 CO 0.14 0.02 0.28 1.15 0.00 0.00 0.00 179.25 180.84 3gqc h THR 621 N 0.61 1.17 -0.72 0.00 2.02 -1.38 -0.90 112.91 113.71 3gqc h THR 621 Ca 0.32 -0.46 0.08 0.00 0.77 0.00 0.00 66.41 67.13 3gqc h THR 621 Cb 0.44 0.46 -0.07 0.00 -1.74 0.00 0.00 68.15 67.25 3gqc h THR 621 CO -0.11 0.19 0.39 -0.09 0.37 0.00 0.00 175.52 176.27 3gqc h ARG 622 N 0.75 0.66 0.00 6.66 2.43 -1.47 -1.76 114.38 121.65 3gqc h ARG 622 Ca 0.19 -0.04 -0.13 0.00 -0.81 0.00 0.00 59.98 59.20 3gqc h ARG 622 Cb 0.05 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 3gqc h ARG 622 CO -0.03 0.44 -0.60 -0.22 -1.51 0.00 0.00 179.97 178.05 3gqc h LYS 623 N 0.68 0.00 0.00 0.20 1.63 -1.38 -3.22 116.57 114.48 3gqc h LYS 623 Ca 0.34 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 60.05 3gqc h LYS 623 Cb 0.30 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.92 3gqc h LYS 623 CO -0.23 0.60 -0.44 0.00 -3.45 0.00 0.00 179.45 175.92 3gqc h ALA 624 N 1.40 0.95 -2.66 5.00 0.00 -0.35 -3.47 119.26 120.14 3gqc h ALA 624 Ca -0.01 -0.40 -0.49 0.00 0.00 0.00 0.00 54.91 54.02 3gqc h ALA 624 Cb 1.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3gqc h ALA 624 CO 0.08 0.55 0.41 0.15 0.00 0.00 0.00 179.25 180.43 3gqc s LYS 625 N -3.54 4.57 0.63 0.00 1.02 -0.86 -2.89 119.74 118.67 3gqc s LYS 625 Ca 0.00 1.57 -0.02 0.00 0.02 0.00 0.00 55.97 57.55 3gqc s LYS 625 Cb 0.11 -2.99 0.06 0.00 -0.52 0.00 0.00 37.83 34.49 3gqc s LYS 625 CO 0.71 0.21 0.89 -1.25 -0.92 0.00 0.00 175.35 174.99 3gqc s PRO 626 N -1.74 2.27 -1.33 -1.68 0.04 -1.26 -4.96 135.00 126.34 3gqc s PRO 626 Ca 0.48 -0.66 -0.03 0.00 0.04 0.00 0.00 61.00 60.82 3gqc s PRO 626 Cb -0.26 -2.36 0.00 0.00 0.04 0.00 0.00 34.50 31.93 3gqc s PRO 626 CO 0.33 -1.01 0.06 -3.47 0.04 0.00 0.00 177.00 172.95 3gqc n ASP 627 N -2.62 0.38 -0.60 6.66 2.03 -1.26 -4.88 116.55 116.26 3gqc n ASP 627 Ca 0.09 -1.12 0.00 0.00 0.52 0.00 0.00 54.79 54.28 3gqc n ASP 627 Cb 0.60 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.61 3gqc n ASP 627 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gqc n GLY 628 N -2.35 3.36 3.15 0.27 0.00 -1.14 -5.00 105.19 103.47 3gqc n GLY 628 Ca -0.27 -1.21 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 3gqc n GLY 628 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3gqc s GLN 629 N -0.80 0.65 -0.17 1.61 -2.07 -1.26 -1.41 119.66 116.21 3gqc s GLN 629 Ca 0.00 -0.72 -0.05 0.00 -1.82 0.00 0.00 55.36 52.76 3gqc s GLN 629 Cb 0.00 0.26 0.08 0.00 -1.09 0.00 0.00 33.01 32.26 3gqc s GLN 629 CO 0.00 -0.18 0.33 -0.47 -1.32 0.00 0.00 175.29 173.66 3gqc s TYR 630 N -2.70 -0.60 -0.44 9.60 5.04 -0.62 -4.74 117.35 122.89 3gqc s TYR 630 Ca -0.04 1.17 -0.17 0.00 -2.44 0.00 0.00 57.07 55.59 3gqc s TYR 630 Cb -0.00 0.10 0.03 0.00 0.35 0.00 0.00 41.96 42.44 3gqc s TYR 630 CO -0.05 -0.44 0.42 -1.58 -1.34 0.00 0.00 175.55 172.57 3gqc s HIS 631 N 2.50 3.18 -0.72 4.97 5.65 -1.26 -1.62 115.29 128.00 3gqc s HIS 631 Ca 0.01 -0.54 -0.24 0.00 0.25 0.00 0.00 55.06 54.54 3gqc s HIS 631 Cb -0.12 -2.96 0.05 0.00 -1.18 0.00 0.00 32.58 28.37 3gqc s HIS 631 CO -0.11 -0.74 1.13 -1.17 -0.65 0.00 0.00 174.74 173.21 3gqc s LEU 632 N 2.02 3.82 0.53 8.88 2.96 -0.55 -4.99 118.68 131.35 3gqc s LEU 632 Ca 0.10 -0.81 -0.17 0.00 -0.22 0.00 0.00 54.13 53.03 3gqc s LEU 632 Cb -0.19 -2.49 -0.07 0.00 0.50 0.00 0.00 46.19 43.95 3gqc s LEU 632 CO 0.11 -1.61 1.02 -0.54 -1.32 0.00 0.00 176.35 174.01 3gqc s LYS 633 N 4.81 3.73 0.29 1.98 1.02 -1.26 -4.56 119.74 125.74 3gqc s LYS 633 Ca 0.29 1.12 0.03 0.00 0.02 0.00 0.00 55.97 57.43 3gqc s LYS 633 Cb -0.12 -2.10 0.66 0.00 -0.52 0.00 0.00 37.83 35.76 3gqc s LYS 633 CO 0.11 -0.47 1.76 -1.35 -0.92 0.00 0.00 175.35 174.48 3gqc h PRO 634 N 0.93 0.64 0.00 -1.68 0.11 -2.00 -0.12 132.00 129.88 3gqc h PRO 634 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3gqc h PRO 634 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3gqc h PRO 634 CO 0.60 0.42 0.00 0.93 -0.21 0.00 0.00 178.00 179.74 3gqc h GLU 635 N 0.66 0.00 0.00 1.05 3.07 -2.02 -2.52 114.58 114.81 3gqc h GLU 635 Ca 0.53 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.39 3gqc h GLU 635 Cb 0.83 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.74 3gqc h GLU 635 CO -0.40 0.00 -0.96 0.39 -1.40 0.00 0.00 179.01 176.64 3gqc n GLU 636 N -2.48 0.51 -0.07 2.33 1.02 -0.07 -4.72 120.64 117.16 3gqc n GLU 636 Ca 0.00 -0.01 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 3gqc n GLU 636 Cb 0.17 -1.43 -0.01 0.00 -0.02 0.00 0.00 31.44 30.15 3gqc n GLU 636 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3gqc h VAL 637 N 0.00 0.68 -0.82 2.62 2.07 -1.25 -1.73 116.25 117.82 3gqc h VAL 637 Ca 0.00 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.48 3gqc h VAL 637 Cb 0.48 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.90 3gqc h VAL 637 CO 0.00 0.00 0.36 0.44 0.02 0.00 0.00 177.57 178.39 3gqc h ASP 638 N -0.03 1.11 0.56 0.57 3.32 -1.85 -0.02 116.42 120.08 3gqc h ASP 638 Ca 0.14 -0.16 -0.29 0.00 0.02 0.00 0.00 57.03 56.74 3gqc h ASP 638 Cb 0.24 -0.29 0.01 0.00 0.22 0.00 0.00 39.33 39.51 3gqc h ASP 638 CO -0.30 0.96 -1.29 0.44 -1.72 0.00 0.00 179.24 177.33 3gqc h ASP 639 N 1.19 0.52 -0.22 6.45 3.45 -1.84 -2.75 116.42 123.20 3gqc h ASP 639 Ca 0.28 -0.55 0.01 0.00 0.43 0.00 0.00 57.03 57.19 3gqc h ASP 639 Cb 0.18 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.77 3gqc h ASP 639 CO -0.03 1.43 0.14 0.15 -1.57 0.00 0.00 179.24 179.36 3gqc h PHE 640 N 0.09 0.26 -0.53 4.55 3.57 -1.14 -3.23 116.94 120.51 3gqc h PHE 640 Ca -0.16 0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.24 3gqc h PHE 640 Cb 2.02 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 40.65 3gqc h PHE 640 CO 0.08 0.16 -0.08 0.97 -2.23 0.00 0.00 178.31 177.21 3gqc h ILE 641 N 0.29 1.26 0.00 1.41 6.09 -1.02 -3.18 117.51 122.37 3gqc h ILE 641 Ca 0.08 -1.22 -0.01 0.00 -1.37 0.00 0.00 64.86 62.34 3gqc h ILE 641 Cb -0.02 0.94 -0.00 0.00 0.47 0.00 0.00 36.82 38.20 3gqc h ILE 641 CO -0.03 0.43 -0.07 0.03 -3.07 0.00 0.00 178.15 175.44 3gqc h ARG 642 N 0.88 0.00 0.00 2.19 3.08 -1.50 -2.43 114.38 116.60 3gqc h ARG 642 Ca 0.14 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3gqc h ARG 642 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 3gqc h ARG 642 CO 0.04 0.07 -0.72 0.78 -1.07 0.00 0.00 179.97 179.07 3gqc h GLY 643 N 0.23 0.00 -4.34 0.04 0.00 -1.64 -1.97 103.07 95.39 3gqc h GLY 643 Ca -0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3gqc h GLY 643 CO 0.01 0.00 0.79 1.20 0.00 0.00 0.00 176.54 178.54 3gqc s GLN 644 N -3.18 4.25 0.30 4.80 -1.52 -0.91 -4.81 119.66 118.58 3gqc s GLN 644 Ca 0.05 2.31 -0.29 0.00 -1.95 0.00 0.00 55.36 55.48 3gqc s GLN 644 Cb 0.13 -3.12 -0.11 0.00 -0.22 0.00 0.00 33.01 29.69 3gqc s GLN 644 CO 0.74 -0.47 1.45 -0.51 -0.25 0.00 0.00 175.29 176.25 3gqc s LEU 645 N 0.05 4.37 0.51 2.90 1.43 -1.26 -0.46 118.68 126.22 3gqc s LEU 645 Ca 0.62 2.79 0.16 0.00 -1.03 0.00 0.00 54.13 56.68 3gqc s LEU 645 Cb -0.42 -3.64 1.25 0.00 0.03 0.00 0.00 46.19 43.41 3gqc s LEU 645 CO 0.40 -0.74 2.12 1.62 0.23 0.00 0.00 176.35 179.98 3gqc h VAL 646 N 3.31 0.98 0.00 -1.59 3.04 -1.51 -0.02 116.25 120.46 3gqc h VAL 646 Ca -0.48 -0.02 -0.00 0.00 -1.01 0.00 0.00 66.70 65.20 3gqc h VAL 646 Cb 1.22 0.93 -0.00 0.00 -2.01 0.00 0.00 31.29 31.43 3gqc h VAL 646 CO 0.73 0.01 -0.00 0.00 -1.01 0.00 0.00 177.57 177.30 3gqc h THR 647 N 0.05 0.22 0.00 3.17 1.03 -1.85 -1.78 112.91 113.75 3gqc h THR 647 Ca 0.04 -0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.44 3gqc h THR 647 Cb 0.11 1.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.19 3gqc h THR 647 CO -0.00 0.00 0.00 0.78 -0.01 0.00 0.00 175.52 176.29 3gqc h ASN 648 N 0.00 0.00 -2.66 0.00 2.35 -1.28 -3.44 115.58 110.54 3gqc h ASN 648 Ca -0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 3gqc h ASN 648 Cb 0.00 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.40 3gqc h ASN 648 CO 0.00 0.00 1.02 -0.76 -1.65 0.00 0.00 177.43 176.04 3gqc s LEU 649 N -6.05 4.37 -0.23 1.61 1.43 -0.67 -4.92 118.68 114.22 3gqc s LEU 649 Ca 0.05 2.54 -0.34 0.00 -1.03 0.00 0.00 54.13 55.35 3gqc s LEU 649 Cb 0.07 -3.56 -0.11 0.00 0.03 0.00 0.00 46.19 42.62 3gqc s LEU 649 CO 0.60 -0.91 2.06 -2.65 0.23 0.00 0.00 176.35 175.69 3gqc n PRO 650 N 5.57 1.65 0.00 1.29 -0.02 -1.26 -1.71 135.00 140.51 3gqc n PRO 650 Ca 0.16 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 3gqc n PRO 650 Cb 0.40 -2.66 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 3gqc n PRO 650 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gqc n GLY 651 N 5.49 0.90 3.28 -1.23 0.00 -1.26 -5.07 105.19 107.29 3gqc n GLY 651 Ca 0.31 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.96 3gqc n GLY 651 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqc s VAL 652 N -2.00 3.81 0.00 1.61 1.01 -0.69 -5.00 120.40 119.14 3gqc s VAL 652 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 61.98 60.86 3gqc s VAL 652 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.22 3gqc s VAL 652 CO 0.00 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.53 3gqc n GLY 653 N 4.82 3.07 0.27 4.51 0.00 -1.26 -4.73 105.19 111.87 3gqc n GLY 653 Ca -0.12 -1.96 -0.05 0.00 0.00 0.00 0.00 46.02 43.89 3gqc n GLY 653 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3gqc h HIS 654 N 0.00 0.80 -0.13 1.61 3.86 -1.91 -1.45 115.15 117.94 3gqc h HIS 654 Ca 0.00 -0.14 -0.02 0.00 -1.16 0.00 0.00 60.37 59.05 3gqc h HIS 654 Cb 0.00 -0.21 -0.00 0.00 1.06 0.00 0.00 27.41 28.26 3gqc h HIS 654 CO 0.00 0.80 -0.01 1.03 0.86 0.00 0.00 177.93 180.61 3gqc h SER 655 N 0.67 0.24 -0.64 2.45 0.87 -1.86 -2.07 113.55 113.21 3gqc h SER 655 Ca 0.12 -0.33 -0.04 0.00 -1.23 0.00 0.00 61.79 60.31 3gqc h SER 655 Cb 0.55 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.42 3gqc h SER 655 CO 0.03 0.51 0.24 -0.03 -0.53 0.00 0.00 176.83 177.06 3gqc h MET 656 N -0.04 0.97 -0.43 2.24 -1.53 -1.92 -2.31 114.93 111.90 3gqc h MET 656 Ca 0.04 -0.18 0.05 0.00 -3.44 0.00 0.00 59.70 56.16 3gqc h MET 656 Cb 0.39 -0.15 -0.04 0.00 -0.55 0.00 0.00 31.60 31.25 3gqc h MET 656 CO 0.01 0.82 0.18 1.49 0.14 0.00 0.00 176.91 179.55 3gqc h GLU 657 N 0.91 0.36 -0.32 0.39 4.81 -1.22 -0.25 114.58 119.25 3gqc h GLU 657 Ca 0.21 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.35 3gqc h GLU 657 Cb 0.23 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.51 3gqc h GLU 657 CO -0.02 0.24 -0.10 1.03 -0.73 0.00 0.00 179.01 179.43 3gqc h SER 658 N 0.37 0.53 0.26 1.04 0.87 -1.26 0.42 113.55 115.78 3gqc h SER 658 Ca 0.20 -0.13 -0.16 0.00 -1.23 0.00 0.00 61.79 60.46 3gqc h SER 658 Cb 0.15 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 3gqc h SER 658 CO -0.17 0.67 -0.63 0.11 -0.53 0.00 0.00 176.83 176.27 3gqc h LYS 659 N 0.50 0.36 -0.12 2.24 6.56 -0.82 -2.82 116.57 122.47 3gqc h LYS 659 Ca 0.09 -0.26 -0.11 0.00 -1.06 0.00 0.00 60.65 59.32 3gqc h LYS 659 Cb 0.49 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.19 3gqc h LYS 659 CO 0.03 0.88 -0.35 -0.07 -2.06 0.00 0.00 179.45 177.87 3gqc h LEU 660 N 0.26 0.52 -1.64 2.94 3.38 -0.68 -3.13 115.31 116.96 3gqc h LEU 660 Ca -0.01 -0.59 0.17 0.00 0.09 0.00 0.00 57.88 57.54 3gqc h LEU 660 Cb 1.17 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 3gqc h LEU 660 CO 0.11 1.03 0.53 0.00 0.09 0.00 0.00 178.44 180.19 3gqc h ALA 661 N 0.51 2.24 0.00 1.53 0.00 -0.75 0.19 119.26 122.99 3gqc h ALA 661 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3gqc h ALA 661 Cb 0.97 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3gqc h ALA 661 CO 0.08 -0.47 -0.20 0.66 0.00 0.00 0.00 179.25 179.32 3gqc h SER 662 N 0.33 0.00 0.46 0.00 4.64 -1.45 -1.62 113.55 115.92 3gqc h SER 662 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3gqc h SER 662 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 3gqc h SER 662 CO -0.11 0.20 0.00 0.18 -0.87 0.00 0.00 176.83 176.22 3gqc n LEU 663 N -3.29 0.00 0.00 5.97 4.32 0.57 -4.89 117.00 119.69 3gqc n LEU 663 Ca 0.01 0.23 0.00 0.00 -0.02 0.00 0.00 56.01 56.23 3gqc n LEU 663 Cb 0.46 -0.23 0.00 0.00 -1.62 0.00 0.00 43.42 42.02 3gqc n LEU 663 CO 0.33 -0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.11 3gqc n GLY 664 N 1.20 0.70 3.33 -0.72 0.00 -0.61 -5.06 105.19 104.04 3gqc n GLY 664 Ca 0.16 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 3gqc n GLY 664 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqc s ILE 665 N -2.00 3.82 -0.13 -0.61 1.01 -0.55 -4.94 121.20 117.80 3gqc s ILE 665 Ca 0.00 -0.73 -0.04 0.00 0.00 0.00 0.00 60.65 59.88 3gqc s ILE 665 Cb 0.00 -2.96 -0.07 0.00 0.01 0.00 0.00 42.46 39.44 3gqc s ILE 665 CO 0.00 0.10 -0.15 0.29 0.00 0.00 0.00 174.94 175.18 3gqc n LYS 666 N 4.84 0.30 -3.52 2.79 4.76 -1.26 -2.80 118.16 123.26 3gqc n LYS 666 Ca -0.15 0.10 -0.20 0.00 -2.87 0.00 0.00 58.31 55.20 3gqc n LYS 666 Cb 0.48 -1.08 -0.02 0.00 -1.84 0.00 0.00 35.03 32.57 3gqc n LYS 666 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3gqc s THR 667 N -2.25 3.46 0.41 -0.18 -4.23 -1.26 -1.40 115.64 110.19 3gqc s THR 667 Ca -0.18 -1.18 0.11 0.00 -1.18 0.00 0.00 61.69 59.26 3gqc s THR 667 Cb 0.06 -3.19 0.18 0.00 1.34 0.00 0.00 72.50 70.89 3gqc s THR 667 CO 0.26 -0.11 1.95 0.00 -0.54 0.00 0.00 174.62 176.18 3gqc h GLY 669 N 0.65 1.19 1.01 0.00 0.00 -1.54 -1.80 103.07 102.58 3gqc h GLY 669 Ca 0.04 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 3gqc h GLY 669 CO 0.02 0.58 0.50 -0.55 0.00 0.00 0.00 176.54 177.08 3gqc h ASP 670 N 1.08 0.97 0.13 0.19 3.32 -1.70 -2.92 116.42 117.49 3gqc h ASP 670 Ca 0.26 -0.06 -0.06 0.00 0.02 0.00 0.00 57.03 57.19 3gqc h ASP 670 Cb 0.15 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3gqc h ASP 670 CO -0.03 0.75 -0.20 0.25 -1.72 0.00 0.00 179.24 178.28 3gqc h LEU 671 N 1.12 0.15 -2.40 1.55 6.46 -1.10 -2.80 115.31 118.28 3gqc h LEU 671 Ca 0.29 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 58.01 3gqc h LEU 671 Cb -0.05 -0.04 -0.00 0.00 -0.73 0.00 0.00 40.66 39.84 3gqc h LEU 671 CO -0.06 0.37 -0.03 1.56 -0.62 0.00 0.00 178.44 179.66 3gqc h GLN 672 N 0.15 0.00 0.00 1.25 4.20 -1.14 -0.86 115.11 118.71 3gqc h GLN 672 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3gqc h GLN 672 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 3gqc h GLN 672 CO 0.03 0.03 0.00 0.66 -0.67 0.00 0.00 178.83 178.88 3gqc n TYR 673 N -3.59 0.00 -3.03 2.96 4.01 -1.06 -4.77 117.16 111.68 3gqc n TYR 673 Ca -0.03 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.33 3gqc n TYR 673 Cb 0.13 -0.41 -0.06 0.00 -0.31 0.00 0.00 39.34 38.69 3gqc n TYR 673 CO 0.00 0.00 0.00 1.41 -0.46 0.00 0.00 176.86 177.81 3gqc s MET 674 N -2.81 4.47 0.55 -0.72 1.75 -0.33 -5.06 119.30 117.15 3gqc s MET 674 Ca 0.18 1.06 -0.16 0.00 -1.25 0.00 0.00 55.69 55.52 3gqc s MET 674 Cb 0.17 -3.17 -0.06 0.00 2.84 0.00 0.00 34.83 34.61 3gqc s MET 674 CO 0.44 0.54 1.01 0.95 -0.65 0.00 0.00 175.02 177.31 3gqc s THR 675 N -1.23 4.31 0.19 10.11 -4.23 -1.26 -4.94 115.64 118.59 3gqc s THR 675 Ca 0.37 1.07 -0.12 0.00 -1.18 0.00 0.00 61.69 61.83 3gqc s THR 675 Cb -0.21 -3.62 0.10 0.00 1.34 0.00 0.00 72.50 70.11 3gqc s THR 675 CO 0.24 -0.67 1.80 -0.03 -0.54 0.00 0.00 174.62 175.42 3gqc h MET 676 N 0.64 0.55 -0.67 3.99 4.05 -1.97 -1.33 114.93 120.20 3gqc h MET 676 Ca -0.47 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 58.87 3gqc h MET 676 Cb 1.20 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.84 3gqc h MET 676 CO 0.60 0.37 0.21 0.00 0.23 0.00 0.00 176.91 178.31 3gqc h ALA 677 N 1.29 1.11 -0.28 0.39 0.00 -1.97 -1.08 119.26 118.72 3gqc h ALA 677 Ca 0.25 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3gqc h ALA 677 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3gqc h ALA 677 CO -0.16 0.61 -0.16 -0.22 0.00 0.00 0.00 179.25 179.32 3gqc h LYS 678 N 0.98 0.61 -0.69 0.00 1.63 -1.89 -1.70 116.57 115.51 3gqc h LYS 678 Ca 0.22 -0.28 -0.03 0.00 -0.85 0.00 0.00 60.65 59.71 3gqc h LYS 678 Cb 0.28 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 31.87 3gqc h LYS 678 CO -0.01 0.86 0.29 -0.07 -3.45 0.00 0.00 179.45 177.07 3gqc h LEU 679 N 0.35 0.91 -0.31 5.20 3.38 -1.00 -1.23 115.31 122.60 3gqc h LEU 679 Ca 0.06 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 3gqc h LEU 679 Cb 0.69 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3gqc h LEU 679 CO 0.05 0.80 -0.24 1.56 0.09 0.00 0.00 178.44 180.70 3gqc h GLN 680 N 0.98 0.71 0.19 1.13 4.20 -1.18 -0.12 115.11 121.01 3gqc h GLN 680 Ca 0.23 -0.35 0.01 0.00 0.06 0.00 0.00 58.65 58.61 3gqc h GLN 680 Cb 0.16 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 3gqc h GLN 680 CO -0.02 0.96 -0.23 -0.22 -0.67 0.00 0.00 178.83 178.64 3gqc h LYS 681 N 0.47 -0.46 -0.42 1.46 1.63 -1.15 0.49 116.57 118.59 3gqc h LYS 681 Ca 0.06 0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 59.77 3gqc h LYS 681 Cb 0.79 0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.51 3gqc h LYS 681 CO 0.06 -0.30 -0.20 1.49 -3.45 0.00 0.00 179.45 177.05 3gqc h GLU 682 N -0.47 0.83 0.00 1.90 4.57 -1.24 -3.35 114.58 116.82 3gqc h GLU 682 Ca 0.01 -0.33 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 3gqc h GLU 682 Cb 0.46 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 3gqc h GLU 682 CO -0.08 0.96 0.00 1.19 -1.18 0.00 0.00 179.01 179.90 3gqc n PHE 683 N -4.12 0.00 0.00 0.92 3.72 -0.06 -5.10 117.46 112.82 3gqc n PHE 683 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3gqc n PHE 683 Cb 0.43 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 3gqc n PHE 683 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gqc n GLY 684 N 0.01 0.87 0.11 1.37 0.00 0.17 -4.28 105.19 103.43 3gqc n GLY 684 Ca 0.00 -1.77 -0.08 0.00 0.00 0.00 0.00 46.02 44.17 3gqc n GLY 684 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gqc h PRO 685 N 0.00 0.04 0.17 1.61 0.11 -1.90 0.61 132.00 132.65 3gqc h PRO 685 Ca 0.00 -0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.88 3gqc h PRO 685 Cb 0.00 -0.01 0.03 0.00 0.11 0.00 0.00 31.00 31.13 3gqc h PRO 685 CO 0.00 0.02 -1.00 0.87 -0.21 0.00 0.00 178.00 177.68 3gqc h LYS 686 N 0.04 0.37 -0.14 1.05 1.57 -1.94 -2.20 116.57 115.31 3gqc h LYS 686 Ca 0.10 -0.63 -0.11 0.00 -1.87 0.00 0.00 60.65 58.14 3gqc h LYS 686 Cb 0.14 0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 3gqc h LYS 686 CO -0.19 1.30 -0.40 1.15 -0.57 0.00 0.00 179.45 180.74 3gqc h THR 687 N -0.22 1.30 -0.26 -0.16 2.02 -1.76 -1.22 112.91 112.61 3gqc h THR 687 Ca -0.17 -1.51 -0.05 0.00 0.77 0.00 0.00 66.41 65.45 3gqc h THR 687 Cb 1.79 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 69.83 3gqc h THR 687 CO 0.19 0.46 -0.01 1.23 0.37 0.00 0.00 175.52 177.75 3gqc h GLY 688 N 1.17 0.51 0.93 2.16 0.00 -0.89 -1.79 103.07 105.16 3gqc h GLY 688 Ca 0.03 -0.39 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 3gqc h GLY 688 CO 0.07 0.36 -0.11 -1.61 0.00 0.00 0.00 176.54 175.24 3gqc h GLN 689 N 0.25 0.66 -0.71 4.80 4.15 -1.32 -2.75 115.11 120.18 3gqc h GLN 689 Ca 0.07 -0.27 0.09 0.00 0.77 0.00 0.00 58.65 59.32 3gqc h GLN 689 Cb 0.45 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 28.04 3gqc h GLN 689 CO 0.02 0.85 0.36 1.98 -1.93 0.00 0.00 178.83 180.11 3gqc h MET 690 N 0.43 0.60 -0.15 1.69 4.05 -1.12 -1.16 114.93 119.27 3gqc h MET 690 Ca 0.08 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.44 3gqc h MET 690 Cb 0.63 -0.14 -0.01 0.00 -0.80 0.00 0.00 31.60 31.29 3gqc h MET 690 CO 0.04 0.40 -0.00 -0.07 0.23 0.00 0.00 176.91 177.51 3gqc h LEU 691 N 0.62 0.27 -0.61 3.39 3.38 -1.22 0.10 115.31 121.23 3gqc h LEU 691 Ca 0.35 -0.31 0.08 0.00 0.09 0.00 0.00 57.88 58.08 3gqc h LEU 691 Cb 0.35 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 40.97 3gqc h LEU 691 CO -0.26 0.51 0.28 0.22 0.09 0.00 0.00 178.44 179.29 3gqc h TYR 692 N 0.01 0.51 -0.01 1.13 3.20 -1.29 -2.34 116.97 118.19 3gqc h TYR 692 Ca 0.04 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 3gqc h TYR 692 Cb 0.38 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.51 3gqc h TYR 692 CO 0.03 0.19 -0.16 0.00 -1.64 0.00 0.00 178.16 176.59 3gqc h ARG 693 N 0.51 0.12 -0.62 1.82 3.08 -1.07 -3.31 114.38 114.91 3gqc h ARG 693 Ca 0.29 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3gqc h ARG 693 Cb 0.29 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.34 3gqc h ARG 693 CO -0.24 0.86 0.39 0.74 -1.07 0.00 0.00 179.97 180.65 3gqc h PHE 694 N -0.58 0.80 0.00 3.04 -1.00 -0.99 -1.27 116.94 116.93 3gqc h PHE 694 Ca -0.02 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 3gqc h PHE 694 Cb 0.91 -0.27 0.00 0.00 3.61 0.00 0.00 35.95 40.20 3gqc h PHE 694 CO 0.18 0.53 0.00 0.00 -1.61 0.00 0.00 178.31 177.41 3gqc n ARG 696 N -1.92 1.98 -1.06 0.00 1.74 -0.68 -4.76 116.66 111.96 3gqc n ARG 696 Ca 0.01 -1.57 -0.02 0.00 -0.77 0.00 0.00 57.85 55.50 3gqc n ARG 696 Cb 0.12 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.08 3gqc n ARG 696 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3gqc n GLY 697 N 1.34 0.56 3.78 -0.13 0.00 0.56 -4.92 105.19 106.38 3gqc n GLY 697 Ca 0.14 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 45.10 3gqc n GLY 697 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqc s LEU 698 N -0.48 4.30 -0.29 0.99 1.43 -0.57 -4.82 118.68 119.24 3gqc s LEU 698 Ca 0.00 0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 53.44 3gqc s LEU 698 Cb 0.00 -2.24 0.12 0.00 0.03 0.00 0.00 46.19 44.10 3gqc s LEU 698 CO 0.00 0.24 0.78 -0.62 0.23 0.00 0.00 176.35 176.98 3gqc s ASP 699 N -0.17 -0.86 0.00 2.29 3.68 -1.26 -3.65 116.67 116.69 3gqc s ASP 699 Ca 0.15 1.27 0.03 0.00 2.13 0.00 0.00 52.55 56.13 3gqc s ASP 699 Cb -0.13 1.68 0.05 0.00 -1.45 0.00 0.00 42.92 43.08 3gqc s ASP 699 CO 0.03 -0.19 0.84 -0.90 0.13 0.00 0.00 175.17 175.09 3gqc n ASP 700 N 4.65 1.77 -4.67 -0.34 3.85 -1.26 -4.74 116.55 115.82 3gqc n ASP 700 Ca -0.15 -1.59 -0.47 0.00 -0.71 0.00 0.00 54.79 51.87 3gqc n ASP 700 Cb 0.55 -0.03 -0.04 0.00 -1.35 0.00 0.00 41.12 40.24 3gqc n ASP 700 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3gqc n ARG 701 N -0.06 2.09 -1.78 0.11 1.74 -1.26 -4.99 116.66 112.50 3gqc n ARG 701 Ca 0.02 0.76 -0.30 0.00 -0.77 0.00 0.00 57.85 57.56 3gqc n ARG 701 Cb 0.19 -2.53 0.08 0.00 -1.02 0.00 0.00 32.46 29.18 3gqc n ARG 701 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3gqc s PRO 702 N 1.58 2.21 -0.12 5.56 0.04 -1.26 -4.69 135.00 138.32 3gqc s PRO 702 Ca 0.82 0.36 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 3gqc s PRO 702 Cb -0.70 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 31.83 3gqc s PRO 702 CO 0.42 -1.47 1.80 0.08 0.04 0.00 0.00 177.00 177.86 3gqc s VAL 703 N -3.38 3.41 -0.55 -0.36 1.01 -1.26 -4.95 120.40 114.32 3gqc s VAL 703 Ca 0.61 0.47 -0.27 0.00 0.00 0.00 0.00 61.98 62.79 3gqc s VAL 703 Cb -0.12 -3.38 0.03 0.00 0.00 0.00 0.00 36.38 32.91 3gqc s VAL 703 CO 0.52 -0.12 1.12 -0.13 0.00 0.00 0.00 175.10 176.48 3gqc s ARG 704 N 4.72 3.51 0.10 2.72 1.81 -1.26 -4.87 118.95 125.68 3gqc s ARG 704 Ca 0.80 0.19 0.25 0.00 -1.72 0.00 0.00 55.73 55.25 3gqc s ARG 704 Cb -0.32 -4.00 0.44 0.00 -0.45 0.00 0.00 34.95 30.62 3gqc s ARG 704 CO 0.33 -1.56 1.40 0.25 -0.68 0.00 0.00 175.30 175.03 3gqc n THR 705 N 6.59 0.31 -3.99 0.02 -2.24 -1.26 -4.46 114.28 109.25 3gqc n THR 705 Ca 0.08 -0.22 -0.27 0.00 -2.27 0.00 0.00 64.05 61.37 3gqc n THR 705 Cb 0.49 -0.12 -0.17 0.00 -2.10 0.00 0.00 70.33 68.42 3gqc n THR 705 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3gqc s GLU 706 N -3.13 1.62 -0.11 -0.78 8.01 -1.26 -3.88 118.70 119.17 3gqc s GLU 706 Ca 0.08 -0.30 0.01 0.00 0.01 0.00 0.00 54.97 54.76 3gqc s GLU 706 Cb 0.14 -1.62 0.02 0.00 -4.31 0.00 0.00 34.13 28.36 3gqc s GLU 706 CO 0.70 -0.23 -0.11 0.15 0.01 0.00 0.00 175.26 175.78 3gqc s LYS 707 N 1.58 1.81 -0.14 1.61 1.02 -1.26 -5.13 119.74 119.23 3gqc s LYS 707 Ca 0.03 -0.39 -0.08 0.00 0.02 0.00 0.00 55.97 55.55 3gqc s LYS 707 Cb -0.13 -1.70 -0.04 0.00 -0.52 0.00 0.00 37.83 35.43 3gqc s LYS 707 CO -0.07 -0.18 0.15 -1.21 -0.92 0.00 0.00 175.35 173.12 3gqc s GLU 708 N 1.37 3.68 -0.03 1.68 8.01 -1.26 -5.00 118.70 127.15 3gqc s GLU 708 Ca -0.00 -0.14 -0.30 0.00 0.01 0.00 0.00 54.97 54.54 3gqc s GLU 708 Cb -0.14 -3.26 -0.04 0.00 -4.31 0.00 0.00 34.13 26.38 3gqc s GLU 708 CO -0.06 0.63 1.29 0.50 0.01 0.00 0.00 175.26 177.63 3gqc s ARG 709 N -0.60 4.32 -0.02 1.61 3.52 -1.26 -4.94 118.95 121.59 3gqc s ARG 709 Ca 0.13 1.81 0.16 0.00 -0.13 0.00 0.00 55.73 57.69 3gqc s ARG 709 Cb -0.12 -3.55 -0.23 0.00 -1.56 0.00 0.00 34.95 29.49 3gqc s ARG 709 CO 0.02 -0.49 0.40 1.63 -0.81 0.00 0.00 175.30 176.05 3gqc n LYS 710 N 5.21 0.74 -3.52 5.12 5.02 -1.26 -4.97 118.16 124.50 3gqc n LYS 710 Ca 0.12 -0.12 -0.13 0.00 -2.02 0.00 0.00 58.31 56.16 3gqc n LYS 710 Cb 0.45 -1.35 -0.04 0.00 -0.02 0.00 0.00 35.03 34.07 3gqc n LYS 710 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3gqc s SER 711 N -3.57 -0.49 -0.02 4.39 1.04 -1.26 -4.38 113.70 109.40 3gqc s SER 711 Ca -0.04 0.12 0.04 0.00 0.48 0.00 0.00 55.95 56.55 3gqc s SER 711 Cb 0.10 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 3gqc s SER 711 CO 0.65 -0.82 -0.15 -0.69 0.98 0.00 0.00 173.24 173.21 3gqc s VAL 712 N -2.95 1.20 0.34 5.02 1.01 -1.01 -5.01 120.40 119.00 3gqc s VAL 712 Ca -0.03 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 3gqc s VAL 712 Cb -0.00 -1.02 0.01 0.00 0.00 0.00 0.00 36.38 35.36 3gqc s VAL 712 CO -0.06 0.35 0.52 -0.94 0.00 0.00 0.00 175.10 174.97 3gqc s SER 713 N -0.13 0.71 -0.30 3.32 1.04 -1.26 -0.55 113.70 116.53 3gqc s SER 713 Ca 0.01 -1.40 -0.09 0.00 0.48 0.00 0.00 55.95 54.95 3gqc s SER 713 Cb -0.08 0.68 0.14 0.00 0.10 0.00 0.00 66.02 66.86 3gqc s SER 713 CO 0.00 -1.34 0.65 0.00 0.98 0.00 0.00 173.24 173.54 3gqc s ALA 714 N -3.03 -2.08 0.01 5.32 0.00 0.00 -5.00 121.76 116.99 3gqc s ALA 714 Ca 0.28 2.30 0.04 0.00 0.00 0.00 0.00 51.96 54.58 3gqc s ALA 714 Cb -0.01 -1.82 -0.01 0.00 0.00 0.00 0.00 23.12 21.28 3gqc s ALA 714 CO 0.18 -0.96 -0.11 -1.83 0.00 0.00 0.00 175.76 173.04 3gqc s GLU 715 N 2.89 0.82 -0.15 0.00 -1.05 -1.26 -0.52 118.70 119.43 3gqc s GLU 715 Ca -0.04 -0.54 -0.00 0.00 -0.15 0.00 0.00 54.97 54.24 3gqc s GLU 715 Cb -0.12 -0.79 0.04 0.00 -0.44 0.00 0.00 34.13 32.82 3gqc s GLU 715 CO -0.19 0.20 -0.06 0.42 0.95 0.00 0.00 175.26 176.58 3gqc s ILE 716 N -0.58 1.11 -0.22 1.83 1.01 -0.18 -4.99 121.20 119.18 3gqc s ILE 716 Ca 0.02 -0.53 0.11 0.00 0.00 0.00 0.00 60.65 60.25 3gqc s ILE 716 Cb -0.06 -1.22 0.43 0.00 0.01 0.00 0.00 42.46 41.62 3gqc s ILE 716 CO 0.00 0.22 1.21 0.59 0.00 0.00 0.00 174.94 176.96 3gqc n ASN 717 N 4.89 2.41 -3.91 3.58 3.02 -1.26 -1.47 115.26 122.53 3gqc n ASN 717 Ca -0.12 -3.77 -0.13 0.00 -0.03 0.00 0.00 54.58 50.53 3gqc n ASN 717 Cb 0.48 -0.48 -0.14 0.00 -0.61 0.00 0.00 39.78 39.04 3gqc n ASN 717 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 3gqc s TYR 718 N -3.19 0.17 -1.53 3.10 5.04 -1.26 -3.77 117.35 115.91 3gqc s TYR 718 Ca 0.41 -0.05 -0.05 0.00 -2.44 0.00 0.00 57.07 54.93 3gqc s TYR 718 Cb 0.38 -0.11 0.01 0.00 0.35 0.00 0.00 41.96 42.58 3gqc s TYR 718 CO -0.05 -0.01 0.71 0.41 -1.34 0.00 0.00 175.55 175.27 3gqc n GLY 719 N 2.96 -0.52 3.40 8.97 0.00 0.28 -4.97 105.19 115.30 3gqc n GLY 719 Ca -0.13 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 3gqc n GLY 719 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqc s ILE 720 N -3.21 4.51 -0.22 -0.61 -1.09 -1.26 -5.02 121.20 114.29 3gqc s ILE 720 Ca 0.35 -0.66 -0.03 0.00 -2.23 0.00 0.00 60.65 58.07 3gqc s ILE 720 Cb -0.15 -3.41 0.10 0.00 -1.58 0.00 0.00 42.46 37.42 3gqc s ILE 720 CO 0.43 -0.08 0.22 -0.13 -1.23 0.00 0.00 174.94 174.15 3gqc s ARG 721 N 1.57 0.20 0.09 2.79 1.81 -1.26 -4.37 118.95 119.78 3gqc s ARG 721 Ca 0.03 0.06 0.09 0.00 -1.72 0.00 0.00 55.73 54.19 3gqc s ARG 721 Cb -0.18 -1.16 -0.04 0.00 -0.45 0.00 0.00 34.95 33.12 3gqc s ARG 721 CO 0.06 -0.75 -0.23 -0.06 -0.68 0.00 0.00 175.30 173.64 3gqc s PHE 722 N 2.30 2.41 -0.10 -0.53 2.99 -1.26 -5.04 117.98 118.76 3gqc s PHE 722 Ca 0.07 -0.34 0.05 0.00 0.00 0.00 0.00 56.93 56.72 3gqc s PHE 722 Cb -0.15 -1.35 -0.10 0.00 0.00 0.00 0.00 43.02 41.42 3gqc s PHE 722 CO -0.18 0.29 -0.02 -2.37 -0.00 0.00 0.00 175.22 172.94 3gqc n THR 723 N 1.20 0.63 -4.76 0.64 5.66 -1.26 -3.37 114.28 113.02 3gqc n THR 723 Ca -0.17 -0.33 -0.33 0.00 -3.05 0.00 0.00 64.05 60.17 3gqc n THR 723 Cb 0.52 -0.81 -0.12 0.00 -1.55 0.00 0.00 70.33 68.37 3gqc n THR 723 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 175.07 170.92 3gqc s GLN 724 N -2.22 2.64 0.54 1.09 -0.21 -1.26 -4.56 119.66 115.69 3gqc s GLN 724 Ca -0.08 -0.62 0.25 0.00 0.02 0.00 0.00 55.36 54.92 3gqc s GLN 724 Cb 0.03 -2.49 1.44 0.00 1.00 0.00 0.00 33.01 32.99 3gqc s GLN 724 CO 0.33 0.63 2.03 -1.35 -2.12 0.00 0.00 175.29 174.82 3gqc h PRO 725 N 5.33 0.00 -0.30 2.91 0.11 -1.98 -0.12 132.00 137.95 3gqc h PRO 725 Ca -0.47 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.59 3gqc h PRO 725 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3gqc h PRO 725 CO 0.51 0.00 -0.01 0.87 -0.21 0.00 0.00 178.00 179.17 3gqc h LYS 726 N 0.00 0.46 -0.14 1.05 6.56 -1.99 -2.15 116.57 120.36 3gqc h LYS 726 Ca 0.18 -0.09 -0.16 0.00 -1.06 0.00 0.00 60.65 59.51 3gqc h LYS 726 Cb 0.76 -0.07 0.01 0.00 -0.57 0.00 0.00 32.23 32.36 3gqc h LYS 726 CO -0.00 0.50 -0.55 0.93 -2.06 0.00 0.00 179.45 178.27 3gqc h GLU 727 N 0.45 0.63 -0.30 3.15 5.08 -1.44 -2.36 114.58 119.79 3gqc h GLU 727 Ca 0.10 -0.48 -0.02 0.00 -1.00 0.00 0.00 59.36 57.96 3gqc h GLU 727 Cb 0.31 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3gqc h GLU 727 CO 0.01 1.10 0.11 0.00 -1.00 0.00 0.00 179.01 179.23 3gqc h ALA 728 N 0.53 0.39 -0.32 3.43 0.00 -1.44 -1.50 119.26 120.35 3gqc h ALA 728 Ca -0.03 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 3gqc h ALA 728 Cb 1.18 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3gqc h ALA 728 CO 0.12 0.00 -0.25 0.93 0.00 0.00 0.00 179.25 180.05 3gqc h GLU 729 N 0.33 0.63 -0.85 0.00 5.08 -1.46 -0.43 114.58 117.87 3gqc h GLU 729 Ca 0.10 -0.25 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3gqc h GLU 729 Cb 0.21 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 3gqc h GLU 729 CO -0.01 0.82 0.53 0.00 -1.00 0.00 0.00 179.01 179.35 3gqc h ALA 730 N 1.18 1.08 -0.37 3.43 0.00 -1.26 -2.44 119.26 120.88 3gqc h ALA 730 Ca 0.08 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 3gqc h ALA 730 Cb 0.72 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3gqc h ALA 730 CO 0.06 0.52 -0.40 0.35 0.00 0.00 0.00 179.25 179.77 3gqc h PHE 731 N 1.16 1.09 -0.89 0.00 3.57 -0.77 -2.79 116.94 118.31 3gqc h PHE 731 Ca 0.31 -0.33 0.03 0.00 3.53 0.00 0.00 57.97 61.50 3gqc h PHE 731 Cb -0.08 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 38.38 3gqc h PHE 731 CO -0.01 1.16 0.59 -0.07 -2.23 0.00 0.00 178.31 177.75 3gqc h LEU 732 N 0.74 0.99 -1.36 0.59 3.38 -0.98 -1.07 115.31 117.60 3gqc h LEU 732 Ca 0.06 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3gqc h LEU 732 Cb 0.99 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 3gqc h LEU 732 CO 0.10 0.69 -0.25 -0.07 0.09 0.00 0.00 178.44 179.00 3gqc h LEU 733 N 1.15 0.00 0.06 1.67 3.38 -1.32 -1.93 115.31 118.31 3gqc h LEU 733 Ca 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.31 3gqc h LEU 733 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3gqc h LEU 733 CO -0.10 0.25 -0.03 0.28 0.09 0.00 0.00 178.44 178.94 3gqc h SER 734 N 0.00 -0.06 -0.40 -0.43 0.02 -1.06 -2.92 113.55 108.69 3gqc h SER 734 Ca -0.00 -0.55 0.12 0.00 -0.84 0.00 0.00 61.79 60.52 3gqc h SER 734 Cb 0.63 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.17 3gqc h SER 734 CO 0.03 0.65 0.33 0.25 -1.14 0.00 0.00 176.83 176.95 3gqc h LEU 735 N -0.92 0.00 -0.75 5.07 6.46 -1.24 0.48 115.31 124.41 3gqc h LEU 735 Ca -0.01 0.00 -0.09 0.00 -0.12 0.00 0.00 57.88 57.66 3gqc h LEU 735 Cb 0.61 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.52 3gqc h LEU 735 CO 0.01 0.00 -0.03 0.28 -0.62 0.00 0.00 178.44 178.08 3gqc h SER 736 N 0.00 0.90 -0.30 1.25 0.02 -1.35 0.98 113.55 115.05 3gqc h SER 736 Ca 0.19 -0.25 -0.10 0.00 -0.84 0.00 0.00 61.79 60.79 3gqc h SER 736 Cb 0.84 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 3gqc h SER 736 CO -0.00 0.98 -0.16 -0.33 -1.14 0.00 0.00 176.83 176.17 3gqc h GLU 737 N 0.84 0.74 -0.72 3.45 4.39 0.12 -1.84 114.58 121.56 3gqc h GLU 737 Ca 0.15 -0.27 0.00 0.00 0.34 0.00 0.00 59.36 59.58 3gqc h GLU 737 Cb 0.54 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.11 3gqc h GLU 737 CO 0.03 0.86 0.46 1.49 -1.16 0.00 0.00 179.01 180.69 3gqc h GLU 738 N 0.67 0.96 0.00 2.33 4.57 -0.86 -1.99 114.58 120.26 3gqc h GLU 738 Ca 0.10 -0.07 -0.09 0.00 -1.18 0.00 0.00 59.36 58.12 3gqc h GLU 738 Cb 0.64 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.01 3gqc h GLU 738 CO 0.05 0.66 -0.43 0.97 -1.18 0.00 0.00 179.01 179.08 3gqc h ILE 739 N 0.98 1.27 -0.50 2.32 6.09 -0.67 -2.59 117.51 124.41 3gqc h ILE 739 Ca 0.26 -1.48 -0.03 0.00 -1.37 0.00 0.00 64.86 62.24 3gqc h ILE 739 Cb -0.07 1.81 -0.02 0.00 0.47 0.00 0.00 36.82 39.00 3gqc h ILE 739 CO -0.05 0.42 0.20 -0.61 -3.07 0.00 0.00 178.15 175.03 3gqc h GLN 740 N 0.00 0.75 -0.61 2.19 4.15 -0.90 -2.40 115.11 118.29 3gqc h GLN 740 Ca -0.00 -0.14 -0.02 0.00 0.77 0.00 0.00 58.65 59.25 3gqc h GLN 740 Cb 0.77 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.31 3gqc h GLN 740 CO 0.06 0.67 0.29 0.00 -1.93 0.00 0.00 178.83 177.92 3gqc h ARG 741 N 0.67 0.87 0.02 1.69 3.08 -1.02 -1.81 114.38 117.88 3gqc h ARG 741 Ca 0.17 -0.11 -0.22 0.00 0.07 0.00 0.00 59.98 59.88 3gqc h ARG 741 Cb 0.20 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3gqc h ARG 741 CO -0.01 0.67 -0.96 0.00 -1.07 0.00 0.00 179.97 178.60 3gqc h ARG 742 N 0.86 0.30 -0.55 0.04 3.08 -1.40 0.39 114.38 117.11 3gqc h ARG 742 Ca 0.21 -0.35 -0.11 0.00 0.07 0.00 0.00 59.98 59.81 3gqc h ARG 742 Cb 0.10 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 3gqc h ARG 742 CO -0.03 1.06 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.80 3gqc h LEU 743 N 0.16 1.00 0.19 3.04 3.38 -1.23 -1.98 115.31 119.87 3gqc h LEU 743 Ca -0.07 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3gqc h LEU 743 Cb 1.61 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3gqc h LEU 743 CO 0.16 1.09 -0.09 -0.33 0.09 0.00 0.00 178.44 179.36 3gqc h GLU 744 N 0.91 -0.25 -1.01 1.13 5.08 -1.26 0.50 114.58 119.69 3gqc h GLU 744 Ca 0.15 0.02 0.25 0.00 -1.00 0.00 0.00 59.36 58.78 3gqc h GLU 744 Cb 0.62 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.84 3gqc h GLU 744 CO 0.04 0.08 0.66 0.00 -1.00 0.00 0.00 179.01 178.79 3gqc h ALA 745 N 0.11 2.25 -0.02 3.43 0.00 -0.86 0.27 119.26 124.45 3gqc h ALA 745 Ca -0.03 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3gqc h ALA 745 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gqc h ALA 745 CO 0.04 -0.62 -0.26 2.41 0.00 0.00 0.00 179.25 180.83 3gqc n THR 746 N -4.57 0.00 -3.34 0.00 -1.04 -0.75 -5.00 114.28 99.58 3gqc n THR 746 Ca 0.24 -0.30 -0.18 0.00 -2.04 0.00 0.00 64.05 61.77 3gqc n THR 746 Cb 0.84 1.07 0.07 0.00 -1.82 0.00 0.00 70.33 70.48 3gqc n THR 746 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gqc n GLY 747 N 1.36 -0.28 3.34 3.41 0.00 0.96 -4.98 105.19 109.01 3gqc n GLY 747 Ca 0.12 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 46.01 3gqc n GLY 747 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gqc s MET 748 N -5.75 1.32 0.06 1.61 -1.94 0.16 -1.71 119.30 113.05 3gqc s MET 748 Ca 0.31 -1.50 0.06 0.00 -1.71 0.00 0.00 55.69 52.85 3gqc s MET 748 Cb -0.14 -1.25 -0.03 0.00 2.01 0.00 0.00 34.83 35.42 3gqc s MET 748 CO 0.61 0.23 -0.16 0.15 -0.01 0.00 0.00 175.02 175.85 3gqc s LYS 749 N -3.20 0.99 0.21 2.03 1.02 0.14 -4.32 119.74 116.61 3gqc s LYS 749 Ca 0.19 -0.90 0.11 0.00 0.02 0.00 0.00 55.97 55.39 3gqc s LYS 749 Cb -0.04 -1.05 -0.04 0.00 -0.52 0.00 0.00 37.83 36.18 3gqc s LYS 749 CO 0.07 0.25 -0.19 0.20 -0.92 0.00 0.00 175.35 174.77 3gqc s GLY 750 N -1.43 1.75 -0.22 -3.33 0.00 -0.39 -0.02 107.32 103.68 3gqc s GLY 750 Ca 0.02 -1.66 0.04 0.00 0.00 0.00 0.00 44.72 43.13 3gqc s GLY 750 CO 0.02 -1.70 -0.16 0.28 0.00 0.00 0.00 173.10 171.55 3gqc n LYS 751 N -0.04 0.66 -3.73 2.90 5.02 -0.74 -0.16 118.16 122.07 3gqc n LYS 751 Ca -0.10 0.11 -0.36 0.00 -2.02 0.00 0.00 58.31 55.93 3gqc n LYS 751 Cb 0.57 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 34.02 3gqc n LYS 751 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 3gqc s ARG 752 N -2.45 3.99 -0.12 1.97 3.52 -0.73 -1.29 118.95 123.84 3gqc s ARG 752 Ca -0.27 -0.31 0.02 0.00 -0.13 0.00 0.00 55.73 55.04 3gqc s ARG 752 Cb 0.07 -3.47 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 3gqc s ARG 752 CO 0.56 0.04 -0.21 -0.51 -0.81 0.00 0.00 175.30 174.38 3gqc s LEU 753 N 1.08 2.24 -0.09 -0.88 1.43 -0.82 0.33 118.68 121.96 3gqc s LEU 753 Ca 0.06 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.65 3gqc s LEU 753 Cb -0.14 -1.47 0.02 0.00 0.03 0.00 0.00 46.19 44.63 3gqc s LEU 753 CO 0.04 0.13 -0.10 0.28 0.23 0.00 0.00 176.35 176.93 3gqc s THR 754 N 0.54 1.10 -0.22 5.49 -1.32 0.11 -1.70 115.64 119.64 3gqc s THR 754 Ca -0.13 -0.38 -0.12 0.00 -1.21 0.00 0.00 61.69 59.85 3gqc s THR 754 Cb -0.17 -1.06 -0.05 0.00 -1.51 0.00 0.00 72.50 69.72 3gqc s THR 754 CO 0.04 0.37 0.24 -0.22 -2.21 0.00 0.00 174.62 172.84 3gqc s LEU 755 N 1.25 4.14 -0.11 9.08 0.20 -0.65 -0.61 118.68 131.98 3gqc s LEU 755 Ca -0.03 0.26 0.03 0.00 0.69 0.00 0.00 54.13 55.07 3gqc s LEU 755 Cb -0.14 -2.24 0.01 0.00 -0.43 0.00 0.00 46.19 43.39 3gqc s LEU 755 CO -0.03 0.03 -0.19 -0.75 -0.29 0.00 0.00 176.35 175.11 3gqc s LYS 756 N 1.08 2.57 -0.10 1.98 2.20 0.21 -1.52 119.74 126.17 3gqc s LYS 756 Ca 0.11 -0.70 0.03 0.00 -0.36 0.00 0.00 55.97 55.06 3gqc s LYS 756 Cb -0.14 -2.06 -0.01 0.00 -1.51 0.00 0.00 37.83 34.11 3gqc s LYS 756 CO 0.05 0.04 -0.21 0.42 -0.36 0.00 0.00 175.35 175.29 3gqc s ILE 757 N 0.70 2.39 -0.09 5.43 -1.09 -0.16 -0.34 121.20 128.04 3gqc s ILE 757 Ca -0.12 -0.91 -0.23 0.00 -2.23 0.00 0.00 60.65 57.16 3gqc s ILE 757 Cb -0.16 -1.94 -0.04 0.00 -1.58 0.00 0.00 42.46 38.75 3gqc s ILE 757 CO 0.02 0.55 0.68 -0.04 -1.23 0.00 0.00 174.94 174.92 3gqc s MET 758 N 0.18 4.40 -0.04 2.79 -1.94 0.14 -1.31 119.30 123.53 3gqc s MET 758 Ca -0.12 0.82 0.06 0.00 -1.71 0.00 0.00 55.69 54.74 3gqc s MET 758 Cb -0.16 -3.46 -0.01 0.00 2.01 0.00 0.00 34.83 33.21 3gqc s MET 758 CO 0.07 0.03 -0.21 0.54 -0.01 0.00 0.00 175.02 175.44 3gqc s VAL 759 N 0.92 1.74 -0.01 -6.03 0.11 -0.00 -0.08 120.40 117.05 3gqc s VAL 759 Ca 0.36 -0.91 -0.38 0.00 -2.93 0.00 0.00 61.98 58.12 3gqc s VAL 759 Cb -0.17 -1.47 -0.17 0.00 -1.53 0.00 0.00 36.38 33.04 3gqc s VAL 759 CO 0.16 0.49 1.42 -1.14 -3.33 0.00 0.00 175.10 172.71 3gqc n ARG 760 N 2.84 1.08 -2.26 1.54 0.63 0.72 -1.08 116.66 120.13 3gqc n ARG 760 Ca -0.17 0.39 -0.42 0.00 -0.92 0.00 0.00 57.85 56.74 3gqc n ARG 760 Cb 0.52 -2.04 -0.03 0.00 0.45 0.00 0.00 32.46 31.37 3gqc n ARG 760 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3gqc s LYS 761 N 1.18 4.38 0.09 -0.14 2.20 -0.42 -4.70 119.74 122.33 3gqc s LYS 761 Ca 0.88 1.98 -0.35 0.00 -0.36 0.00 0.00 55.97 58.12 3gqc s LYS 761 Cb -1.00 -3.25 -0.14 0.00 -1.51 0.00 0.00 37.83 31.92 3gqc s LYS 761 CO 0.52 -0.30 1.56 -2.30 -0.36 0.00 0.00 175.35 174.46 3gqc n PRO 762 N 3.41 1.83 0.00 4.03 -0.02 -1.26 -0.80 135.00 142.20 3gqc n PRO 762 Ca 0.09 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3gqc n PRO 762 Cb 0.44 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 3gqc n PRO 762 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gqc n GLY 763 N 3.33 3.43 3.76 -1.23 0.00 -1.26 -5.06 105.19 108.17 3gqc n GLY 763 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3gqc n GLY 763 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqc s ALA 764 N -2.96 3.37 0.22 4.61 0.00 0.02 -5.00 121.76 122.03 3gqc s ALA 764 Ca 0.00 0.53 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 3gqc s ALA 764 Cb 0.00 -3.12 -0.09 0.00 0.00 0.00 0.00 23.12 19.91 3gqc s ALA 764 CO 0.00 0.24 1.25 -1.25 0.00 0.00 0.00 175.76 175.99 3gqc s PRO 765 N -1.20 4.45 0.46 0.00 0.04 -1.26 -4.86 135.00 132.63 3gqc s PRO 765 Ca 0.40 1.98 0.20 0.00 0.04 0.00 0.00 61.00 63.62 3gqc s PRO 765 Cb -0.25 -3.20 1.19 0.00 0.04 0.00 0.00 34.50 32.28 3gqc s PRO 765 CO 0.30 -0.14 1.92 0.28 0.04 0.00 0.00 177.00 179.40 3gqc h VAL 766 N 3.60 0.73 -3.59 -0.36 2.07 -1.95 -3.37 116.25 113.38 3gqc h VAL 766 Ca -0.45 -0.09 -0.62 0.00 0.82 0.00 0.00 66.70 66.35 3gqc h VAL 766 Cb 1.22 0.44 -0.13 0.00 -1.52 0.00 0.00 31.29 31.29 3gqc h VAL 766 CO 0.74 0.05 -0.01 -0.70 0.02 0.00 0.00 177.57 177.67 3gqc s GLU 767 N -5.27 3.98 0.42 1.57 2.56 -1.26 -5.05 118.70 115.64 3gqc s GLU 767 Ca -0.07 0.24 -0.23 0.00 0.00 0.00 0.00 54.97 54.90 3gqc s GLU 767 Cb 0.21 -3.69 -0.09 0.00 2.00 0.00 0.00 34.13 32.57 3gqc s GLU 767 CO 0.76 -0.42 1.07 0.99 -0.56 0.00 0.00 175.26 177.10 3gqc s THR 768 N 2.36 3.63 0.13 -1.70 2.01 -1.26 -4.12 115.64 116.70 3gqc s THR 768 Ca 0.21 1.22 -0.16 0.00 0.31 0.00 0.00 61.69 63.28 3gqc s THR 768 Cb -0.15 -3.62 -0.01 0.00 0.01 0.00 0.00 72.50 68.73 3gqc s THR 768 CO 0.10 -0.02 1.69 0.00 -0.69 0.00 0.00 174.62 175.70 3gqc h ALA 769 N 2.35 0.51 -2.81 7.40 0.00 -1.92 -3.42 119.26 121.37 3gqc h ALA 769 Ca -0.49 -0.13 -0.58 0.00 0.00 0.00 0.00 54.91 53.72 3gqc h ALA 769 Cb 1.22 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.78 3gqc h ALA 769 CO 0.62 0.11 -0.05 0.21 0.00 0.00 0.00 179.25 180.14 3gqc s LYS 770 N -5.57 4.34 -0.04 0.00 2.20 -1.26 -4.93 119.74 114.48 3gqc s LYS 770 Ca -0.13 0.57 -0.35 0.00 -0.36 0.00 0.00 55.97 55.69 3gqc s LYS 770 Cb 0.10 -3.46 -0.13 0.00 -1.51 0.00 0.00 37.83 32.83 3gqc s LYS 770 CO 0.75 0.07 1.75 0.34 -0.36 0.00 0.00 175.35 177.90 3gqc n PHE 771 N 3.93 2.22 -0.43 4.03 7.35 -1.26 -1.20 117.46 132.10 3gqc n PHE 771 Ca -0.05 0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.82 3gqc n PHE 771 Cb 0.51 -2.59 0.00 0.00 0.35 0.00 0.00 39.48 37.76 3gqc n PHE 771 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3gqc n GLY 772 N 4.00 1.89 3.74 7.13 0.00 -1.26 -4.91 105.19 115.78 3gqc n GLY 772 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 3gqc n GLY 772 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gqc s GLY 773 N -1.96 1.65 0.39 -0.02 0.00 -0.34 0.10 107.32 107.14 3gqc s GLY 773 Ca 0.00 0.14 0.21 0.00 0.00 0.00 0.00 44.72 45.07 3gqc s GLY 773 CO 0.00 0.55 1.60 1.12 0.00 0.00 0.00 173.10 176.36 3gqc h HIS 774 N -1.32 0.00 -0.31 1.90 2.07 -1.80 -3.44 115.15 112.24 3gqc h HIS 774 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 3gqc h HIS 774 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 3gqc h HIS 774 CO 0.51 0.20 0.00 0.41 -3.07 0.00 0.00 177.93 175.99 3gqc n GLY 775 N 0.98 0.21 3.68 6.13 0.00 -1.26 -4.62 105.19 110.31 3gqc n GLY 775 Ca 0.03 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 3gqc n GLY 775 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqc s ILE 776 N 0.00 4.85 0.11 -0.61 1.01 -1.26 -5.03 121.20 120.28 3gqc s ILE 776 Ca 0.00 1.78 -0.02 0.00 0.00 0.00 0.00 60.65 62.41 3gqc s ILE 776 Cb 0.00 -4.20 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 3gqc s ILE 776 CO 0.00 0.03 0.05 0.00 0.00 0.00 0.00 174.94 175.02 3gqc s ASP 778 N -3.01 3.37 -0.15 0.00 1.47 -0.24 -4.72 116.67 113.39 3gqc s ASP 778 Ca 0.20 -1.46 -0.04 0.00 1.18 0.00 0.00 52.55 52.42 3gqc s ASP 778 Cb 0.07 -0.04 -0.03 0.00 -0.34 0.00 0.00 42.92 42.58 3gqc s ASP 778 CO -0.01 -0.62 0.00 0.20 0.68 0.00 0.00 175.17 175.42 3gqc s ASN 779 N -3.67 5.17 -0.05 2.11 0.01 -1.26 -0.82 114.94 116.44 3gqc s ASN 779 Ca 0.29 0.00 0.04 0.00 -0.71 0.00 0.00 52.86 52.48 3gqc s ASN 779 Cb 0.07 -1.77 -0.02 0.00 0.41 0.00 0.00 41.25 39.93 3gqc s ASN 779 CO 0.14 0.22 -0.16 -0.63 -1.51 0.00 0.00 177.10 175.16 3gqc s ILE 780 N 0.07 2.87 0.02 0.60 -1.09 -0.43 -4.99 121.20 118.25 3gqc s ILE 780 Ca 0.02 -0.79 0.01 0.00 -2.23 0.00 0.00 60.65 57.66 3gqc s ILE 780 Cb -0.13 -2.11 -0.02 0.00 -1.58 0.00 0.00 42.46 38.63 3gqc s ILE 780 CO 0.02 0.59 -0.05 0.00 -1.23 0.00 0.00 174.94 174.26 3gqc s ALA 781 N -0.64 0.39 0.03 9.38 0.00 -1.26 -0.99 121.76 128.68 3gqc s ALA 781 Ca 0.10 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.53 3gqc s ALA 781 Cb -0.11 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 3gqc s ALA 781 CO 0.01 -0.02 -0.07 1.03 0.00 0.00 0.00 175.76 176.71 3gqc s ARG 782 N -1.09 0.47 -0.02 0.00 1.81 -0.58 -5.02 118.95 114.53 3gqc s ARG 782 Ca -0.08 -0.65 0.01 0.00 -1.72 0.00 0.00 55.73 53.29 3gqc s ARG 782 Cb -0.07 -0.23 0.01 0.00 -0.45 0.00 0.00 34.95 34.20 3gqc s ARG 782 CO -0.00 0.04 -0.04 0.99 -0.68 0.00 0.00 175.30 175.61 3gqc s THR 783 N -1.22 0.37 0.28 0.02 2.01 -1.26 -1.64 115.64 114.19 3gqc s THR 783 Ca -0.09 -0.13 0.03 0.00 0.31 0.00 0.00 61.69 61.81 3gqc s THR 783 Cb -0.09 -0.36 -0.06 0.00 0.01 0.00 0.00 72.50 72.00 3gqc s THR 783 CO 0.00 0.14 0.04 0.68 -0.69 0.00 0.00 174.62 174.79 3gqc s VAL 784 N 0.31 1.01 -0.03 3.82 -7.23 -0.69 -5.03 120.40 112.57 3gqc s VAL 784 Ca -0.03 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.13 3gqc s VAL 784 Cb -0.07 -2.61 0.03 0.00 0.56 0.00 0.00 36.38 34.29 3gqc s VAL 784 CO -0.00 -0.11 -0.01 -0.89 -0.31 0.00 0.00 175.10 173.78 3gqc s THR 785 N -3.43 0.27 0.49 5.32 2.01 -1.26 -1.95 115.64 117.09 3gqc s THR 785 Ca 0.34 0.04 -0.02 0.00 0.31 0.00 0.00 61.69 62.36 3gqc s THR 785 Cb 0.07 -0.34 0.00 0.00 0.01 0.00 0.00 72.50 72.24 3gqc s THR 785 CO 0.13 0.17 0.74 -0.76 -0.69 0.00 0.00 174.62 174.21 3gqc s LEU 786 N 1.01 3.52 0.15 4.42 1.43 -0.41 -5.02 118.68 123.78 3gqc s LEU 786 Ca -0.10 0.41 0.07 0.00 -1.03 0.00 0.00 54.13 53.48 3gqc s LEU 786 Cb -0.14 -3.28 -0.09 0.00 0.03 0.00 0.00 46.19 42.72 3gqc s LEU 786 CO -0.01 -0.81 1.34 -0.78 0.23 0.00 0.00 176.35 176.32 3gqc h ASP 787 N 0.22 0.05 -4.29 2.29 3.58 -1.98 -3.45 116.42 112.84 3gqc h ASP 787 Ca -0.46 -0.05 -0.46 0.00 0.42 0.00 0.00 57.03 56.48 3gqc h ASP 787 Cb 1.25 -0.02 -0.26 0.00 1.72 0.00 0.00 39.33 42.03 3gqc h ASP 787 CO 0.58 0.95 -0.80 -1.10 -2.88 0.00 0.00 179.24 175.99 3gqc s GLN 788 N -2.92 1.01 0.16 0.28 -0.21 -1.26 -5.11 119.66 111.60 3gqc s GLN 788 Ca -0.00 -0.70 -0.31 0.00 0.02 0.00 0.00 55.36 54.36 3gqc s GLN 788 Cb 0.10 -1.02 -0.10 0.00 1.00 0.00 0.00 33.01 32.99 3gqc s GLN 788 CO 0.81 0.26 1.67 0.00 -2.12 0.00 0.00 175.29 175.91 3gqc s ALA 789 N -0.71 3.81 0.25 6.09 0.00 -1.26 -4.72 121.76 125.23 3gqc s ALA 789 Ca 0.03 1.43 0.11 0.00 0.00 0.00 0.00 51.96 53.52 3gqc s ALA 789 Cb -0.07 -3.68 -0.05 0.00 0.00 0.00 0.00 23.12 19.32 3gqc s ALA 789 CO 0.01 -0.94 -0.18 -0.08 0.00 0.00 0.00 175.76 174.56 3gqc s THR 790 N 1.62 2.23 -0.00 0.00 -1.32 0.77 -4.75 115.64 114.20 3gqc s THR 790 Ca 0.74 -2.33 0.00 0.00 -1.21 0.00 0.00 61.69 58.90 3gqc s THR 790 Cb -0.45 -2.21 0.01 0.00 -1.51 0.00 0.00 72.50 68.34 3gqc s THR 790 CO 0.32 -0.45 0.74 -0.90 -2.21 0.00 0.00 174.62 172.13 3gqc n ASP 791 N -0.50 0.91 -4.68 8.08 5.68 -1.26 -1.26 116.55 123.52 3gqc n ASP 791 Ca -0.06 -1.50 -0.42 0.00 -0.50 0.00 0.00 54.79 52.31 3gqc n ASP 791 Cb 0.60 -0.01 -0.03 0.00 -1.14 0.00 0.00 41.12 40.53 3gqc n ASP 791 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 3gqc s ASN 792 N -0.51 7.07 0.38 -1.12 3.84 -1.26 -4.67 114.94 118.67 3gqc s ASN 792 Ca 0.01 1.32 0.15 0.00 0.21 0.00 0.00 52.86 54.54 3gqc s ASN 792 Cb 0.01 -2.50 0.78 0.00 -0.55 0.00 0.00 41.25 38.98 3gqc s ASN 792 CO 0.00 -0.44 1.83 0.00 -2.79 0.00 0.00 177.10 175.70 3gqc h ALA 793 N 7.26 1.31 -0.63 1.71 0.00 -1.96 -1.19 119.26 125.77 3gqc h ALA 793 Ca -0.29 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.22 3gqc h ALA 793 Cb 1.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3gqc h ALA 793 CO 0.86 0.45 0.08 1.57 0.00 0.00 0.00 179.25 182.21 3gqc h LYS 794 N 0.00 1.03 -0.05 0.00 -0.00 -1.92 0.96 116.57 116.59 3gqc h LYS 794 Ca -0.00 -0.28 -0.22 0.00 -0.00 0.00 0.00 60.65 60.15 3gqc h LYS 794 Cb 0.67 -0.12 0.02 0.00 -0.00 0.00 0.00 32.23 32.80 3gqc h LYS 794 CO 0.05 0.96 -0.84 0.82 -0.00 0.00 0.00 179.45 180.44 3gqc h ILE 795 N 0.97 1.31 -0.22 0.07 2.04 -1.92 -1.34 117.51 118.42 3gqc h ILE 795 Ca 0.19 -2.10 -0.04 0.00 1.00 0.00 0.00 64.86 63.91 3gqc h ILE 795 Cb 0.45 2.30 -0.01 0.00 -0.74 0.00 0.00 36.82 38.82 3gqc h ILE 795 CO 0.01 0.65 -0.03 0.40 0.00 0.00 0.00 178.15 179.18 3gqc h ILE 796 N 0.31 1.27 -0.12 -0.67 2.04 -1.09 -1.21 117.51 118.06 3gqc h ILE 796 Ca -0.09 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 64.83 3gqc h ILE 796 Cb 1.50 1.49 -0.05 0.00 -0.74 0.00 0.00 36.82 39.01 3gqc h ILE 796 CO 0.17 0.30 -0.18 1.23 0.00 0.00 0.00 178.15 179.67 3gqc h GLY 797 N 0.14 -0.15 0.67 5.37 0.00 0.92 -0.06 103.07 109.96 3gqc h GLY 797 Ca 0.06 0.22 0.07 0.00 0.00 0.00 0.00 47.33 47.68 3gqc h GLY 797 CO 0.02 -0.17 0.46 1.70 0.00 0.00 0.00 176.54 178.55 3gqc h LYS 798 N -0.24 0.81 -0.78 4.80 1.63 -1.20 -1.04 116.57 120.55 3gqc h LYS 798 Ca 0.09 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.83 3gqc h LYS 798 Cb 0.37 -0.18 -0.04 0.00 -0.60 0.00 0.00 32.23 31.78 3gqc h LYS 798 CO -0.25 0.53 0.42 0.00 -3.45 0.00 0.00 179.45 176.70 3gqc h ALA 799 N 1.39 1.00 -0.64 5.00 0.00 -0.68 -2.11 119.26 123.22 3gqc h ALA 799 Ca 0.35 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 3gqc h ALA 799 Cb 0.22 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 3gqc h ALA 799 CO -0.19 0.52 0.36 0.52 0.00 0.00 0.00 179.25 180.46 3gqc h MET 800 N 1.08 0.87 -0.34 0.00 2.86 -0.09 -1.77 114.93 117.55 3gqc h MET 800 Ca 0.27 -0.08 -0.17 0.00 -2.06 0.00 0.00 59.70 57.66 3gqc h MET 800 Cb 0.04 -0.18 -0.00 0.00 0.06 0.00 0.00 31.60 31.52 3gqc h MET 800 CO -0.04 0.63 -0.46 -0.07 1.06 0.00 0.00 176.91 178.03 3gqc h LEU 801 N 0.88 0.99 -0.45 1.22 4.07 -0.86 -1.30 115.31 119.86 3gqc h LEU 801 Ca 0.23 -0.50 -0.04 0.00 0.08 0.00 0.00 57.88 57.65 3gqc h LEU 801 Cb 0.00 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 41.44 3gqc h LEU 801 CO -0.04 1.29 0.13 0.78 -1.08 0.00 0.00 178.44 179.53 3gqc h ASN 802 N 0.71 0.67 -0.81 -0.43 2.35 -1.22 -1.98 115.58 114.87 3gqc h ASN 802 Ca 0.04 -0.21 -0.04 0.00 -0.55 0.00 0.00 56.30 55.54 3gqc h ASN 802 Cb 1.06 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 39.22 3gqc h ASN 802 CO 0.11 0.70 0.36 0.24 -1.65 0.00 0.00 177.43 177.19 3gqc h MET 803 N 0.60 1.19 0.00 0.81 2.86 -1.32 -2.80 114.93 116.27 3gqc h MET 803 Ca 0.15 -0.19 -0.09 0.00 -2.06 0.00 0.00 59.70 57.50 3gqc h MET 803 Cb 0.28 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3gqc h MET 803 CO -0.00 0.93 -0.44 0.35 1.06 0.00 0.00 176.91 178.81 3gqc h PHE 804 N 1.17 0.00 -0.08 -0.22 3.57 -1.07 -2.87 116.94 117.44 3gqc h PHE 804 Ca 0.28 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.64 3gqc h PHE 804 Cb 0.16 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 3gqc h PHE 804 CO 0.02 0.44 -0.57 0.45 -2.23 0.00 0.00 178.31 176.42 3gqc h HIS 805 N 0.00 0.32 0.00 0.41 3.86 -1.09 -2.95 115.15 115.70 3gqc h HIS 805 Ca -0.00 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 3gqc h HIS 805 Cb 0.91 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 29.32 3gqc h HIS 805 CO 0.00 0.77 0.00 0.25 0.86 0.00 0.00 177.93 179.81 3gqc n THR 806 N -3.90 0.62 -2.88 2.45 -2.24 -1.08 -4.75 114.28 102.50 3gqc n THR 806 Ca -0.02 0.15 -0.40 0.00 -2.27 0.00 0.00 64.05 61.51 3gqc n THR 806 Cb 0.59 -0.82 -0.06 0.00 -2.10 0.00 0.00 70.33 67.95 3gqc n THR 806 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3gqc s MET 807 N -2.92 4.67 -0.49 -0.78 1.00 -1.12 -5.02 119.30 114.64 3gqc s MET 807 Ca 0.11 1.29 -0.22 0.00 0.00 0.00 0.00 55.69 56.87 3gqc s MET 807 Cb 0.13 -3.29 0.04 0.00 0.00 0.00 0.00 34.83 31.70 3gqc s MET 807 CO 0.35 0.48 0.77 -1.59 0.00 0.00 0.00 175.02 175.02 3gqc s LYS 808 N -0.90 3.30 -0.06 2.03 0.00 -1.26 -5.01 119.74 117.84 3gqc s LYS 808 Ca 0.39 -0.38 -0.03 0.00 0.00 0.00 0.00 55.97 55.95 3gqc s LYS 808 Cb -0.24 -4.01 0.03 0.00 0.00 0.00 0.00 37.83 33.61 3gqc s LYS 808 CO 0.28 -1.23 0.14 -1.17 0.00 0.00 0.00 175.35 173.37 3gqc s LEU 809 N 3.25 1.02 -0.39 2.77 2.96 -1.26 -5.10 118.68 121.93 3gqc s LEU 809 Ca 0.25 0.28 -0.22 0.00 -0.22 0.00 0.00 54.13 54.23 3gqc s LEU 809 Cb -0.14 0.39 0.01 0.00 0.50 0.00 0.00 46.19 46.95 3gqc s LEU 809 CO 0.19 -0.11 0.71 0.21 -1.32 0.00 0.00 176.35 176.03 3gqc s ASN 810 N 0.76 6.44 0.34 3.68 3.84 -1.26 -4.96 114.94 123.78 3gqc s ASN 810 Ca -0.06 0.07 0.07 0.00 0.21 0.00 0.00 52.86 53.15 3gqc s ASN 810 Cb -0.08 -2.36 0.77 0.00 -0.55 0.00 0.00 41.25 39.03 3gqc s ASN 810 CO -0.04 -0.73 1.86 0.40 -2.79 0.00 0.00 177.10 175.80 3gqc h ILE 811 N 5.80 0.84 0.00 -5.21 1.08 -1.88 0.00 117.51 118.14 3gqc h ILE 811 Ca -0.25 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 63.96 3gqc h ILE 811 Cb 1.10 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 3gqc h ILE 811 CO 0.89 0.14 0.00 -1.54 -0.69 0.00 0.00 178.15 176.95 3gqc n SER 812 N -4.58 0.00 0.03 1.72 3.41 -1.22 -1.81 113.62 111.17 3gqc n SER 812 Ca 0.18 0.32 0.12 0.00 -0.26 0.00 0.00 58.87 59.23 3gqc n SER 812 Cb 0.46 -0.43 0.12 0.00 -0.26 0.00 0.00 64.21 64.09 3gqc n SER 812 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gqc n ASP 813 N -1.43 0.63 -4.73 4.04 8.00 -0.02 -4.85 116.55 118.18 3gqc n ASP 813 Ca 0.07 -0.12 -0.42 0.00 0.71 0.00 0.00 54.79 55.03 3gqc n ASP 813 Cb 0.24 0.46 -0.01 0.00 -0.02 0.00 0.00 41.12 41.79 3gqc n ASP 813 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3gqc n MET 814 N -1.91 2.49 0.00 -1.24 2.81 -0.75 -0.20 117.12 118.33 3gqc n MET 814 Ca 0.03 0.88 0.00 0.00 -1.81 0.00 0.00 57.70 56.80 3gqc n MET 814 Cb 0.41 -2.59 0.00 0.00 -0.71 0.00 0.00 33.22 30.33 3gqc n MET 814 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3gqc n ARG 815 N 1.31 0.05 -3.61 0.03 5.12 0.88 -4.54 116.66 115.91 3gqc n ARG 815 Ca 0.06 -0.05 -0.05 0.00 -1.93 0.00 0.00 57.85 55.88 3gqc n ARG 815 Cb 0.36 -0.47 -0.03 0.00 -1.16 0.00 0.00 32.46 31.16 3gqc n ARG 815 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 3gqc s GLY 816 N -0.02 -0.16 0.00 -0.13 0.00 -1.12 -4.32 107.32 101.57 3gqc s GLY 816 Ca 0.00 2.13 0.01 0.00 0.00 0.00 0.00 44.72 46.86 3gqc s GLY 816 CO 0.00 0.85 -0.03 0.14 0.00 0.00 0.00 173.10 174.06 3gqc s VAL 817 N -1.62 0.23 -0.07 1.40 1.01 -0.54 -0.68 120.40 120.13 3gqc s VAL 817 Ca 0.06 -0.19 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 3gqc s VAL 817 Cb -0.01 -0.21 0.03 0.00 0.00 0.00 0.00 36.38 36.19 3gqc s VAL 817 CO -0.04 0.02 0.16 -0.83 0.00 0.00 0.00 175.10 174.41 3gqc s GLY 818 N -0.18 -0.07 -0.14 4.51 0.00 0.54 -1.01 107.32 110.97 3gqc s GLY 818 Ca 0.00 0.66 -0.03 0.00 0.00 0.00 0.00 44.72 45.35 3gqc s GLY 818 CO -0.00 0.87 -0.05 -0.42 0.00 0.00 0.00 173.10 173.50 3gqc s ILE 819 N 0.91 3.78 -0.10 0.90 1.01 0.32 -0.62 121.20 127.40 3gqc s ILE 819 Ca -0.07 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.19 3gqc s ILE 819 Cb -0.09 -2.63 0.02 0.00 0.01 0.00 0.00 42.46 39.77 3gqc s ILE 819 CO -0.05 0.51 -0.13 -1.00 0.00 0.00 0.00 174.94 174.28 3gqc s HIS 820 N 0.17 1.71 -0.17 3.97 3.76 0.22 -0.82 115.29 124.13 3gqc s HIS 820 Ca -0.02 -0.77 -0.03 0.00 -0.15 0.00 0.00 55.06 54.09 3gqc s HIS 820 Cb -0.14 -1.27 -0.02 0.00 1.11 0.00 0.00 32.58 32.26 3gqc s HIS 820 CO 0.03 -0.42 -0.05 0.08 -0.85 0.00 0.00 174.74 173.52 3gqc s VAL 821 N 1.04 3.59 0.28 -0.90 1.01 0.29 0.05 120.40 125.76 3gqc s VAL 821 Ca -0.07 -0.45 0.01 0.00 0.00 0.00 0.00 61.98 61.47 3gqc s VAL 821 Cb -0.15 -2.58 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 3gqc s VAL 821 CO -0.01 0.47 0.02 0.59 0.00 0.00 0.00 175.10 176.17 3gqc n ASN 822 N 3.93 2.42 -3.69 3.32 3.02 0.15 -2.39 115.26 122.02 3gqc n ASN 822 Ca -0.18 -2.27 -0.24 0.00 -0.03 0.00 0.00 54.58 51.87 3gqc n ASN 822 Cb 0.52 0.29 0.01 0.00 -0.61 0.00 0.00 39.78 39.99 3gqc n ASN 822 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gqc n GLN 823 N -0.68 -1.29 -2.66 3.52 6.02 -1.26 -1.77 117.38 119.26 3gqc n GLN 823 Ca -0.10 0.76 -0.31 0.00 -0.01 0.00 0.00 57.00 57.34 3gqc n GLN 823 Cb 0.36 -3.17 -0.03 0.00 1.02 0.00 0.00 30.24 28.43 3gqc n GLN 823 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3gqc s LEU 824 N -5.32 3.73 -0.00 1.08 1.43 -1.26 -1.80 118.68 116.53 3gqc s LEU 824 Ca 0.13 1.25 0.02 0.00 -1.03 0.00 0.00 54.13 54.49 3gqc s LEU 824 Cb -0.06 -4.16 -0.01 0.00 0.03 0.00 0.00 46.19 42.00 3gqc s LEU 824 CO 0.88 -0.49 -0.07 0.68 0.23 0.00 0.00 176.35 177.58 3gqc s VAL 825 N -2.51 0.52 0.39 -1.59 -7.23 0.97 -4.97 120.40 105.99 3gqc s VAL 825 Ca 0.53 -0.31 -0.24 0.00 -1.81 0.00 0.00 61.98 60.15 3gqc s VAL 825 Cb -0.10 -0.45 -0.09 0.00 0.56 0.00 0.00 36.38 36.30 3gqc s VAL 825 CO 0.34 0.13 1.07 -2.84 -0.31 0.00 0.00 175.10 173.49 3gqc s PRO 826 N -0.21 4.16 0.99 4.82 0.02 -1.26 -0.69 135.00 142.83 3gqc s PRO 826 Ca 0.02 1.58 -0.12 0.00 0.02 0.00 0.00 61.00 62.50 3gqc s PRO 826 Cb -0.03 -2.59 0.18 0.00 0.02 0.00 0.00 34.50 32.09 3gqc s PRO 826 CO -0.00 -0.16 1.08 0.99 -0.33 0.00 0.00 177.00 178.58 3gqc s THR 827 N -1.59 2.25 0.00 0.99 2.01 -0.69 -4.88 115.64 113.73 3gqc s THR 827 Ca 0.57 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.65 3gqc s THR 827 Cb -0.24 -2.49 0.00 0.00 0.01 0.00 0.00 72.50 69.78 3gqc s THR 827 CO 0.30 -0.10 0.00 -0.46 -0.69 0.00 0.00 174.62 173.67