#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grr s ALA 432 N 0.00 1.72 0.16 3.55 0.00 -1.22 -5.01 121.76 120.96 2grr s ALA 432 Ca 0.00 -1.79 0.06 0.00 0.00 0.00 0.00 51.96 50.23 2grr s ALA 432 Cb 0.00 1.22 -0.04 0.00 0.00 0.00 0.00 23.12 24.30 2grr s ALA 432 CO 0.00 -0.53 -0.13 0.16 0.00 0.00 0.00 175.76 175.26 2grr s ASP 433 N -3.31 2.13 0.22 0.00 1.47 -1.26 -4.72 116.67 111.19 2grr s ASP 433 Ca 0.37 -0.98 -0.10 0.00 1.18 0.00 0.00 52.55 53.03 2grr s ASP 433 Cb 0.06 -0.07 0.17 0.00 -0.34 0.00 0.00 42.92 42.74 2grr s ASP 433 CO 0.16 -0.23 1.89 0.58 0.68 0.00 0.00 175.17 178.25 2grr h VAL 434 N 2.83 1.20 -0.39 2.11 2.07 -1.97 -2.05 116.25 120.05 2grr h VAL 434 Ca -0.38 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.76 2grr h VAL 434 Cb 1.20 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 2grr h VAL 434 CO 0.60 0.20 0.21 0.28 0.02 0.00 0.00 177.57 178.88 2grr h SER 435 N 1.07 0.49 -0.55 0.57 0.02 -1.97 -0.29 113.55 112.90 2grr h SER 435 Ca 0.29 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 2grr h SER 435 Cb -0.12 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 2grr h SER 435 CO -0.06 0.44 0.14 0.74 -1.14 0.00 0.00 176.83 176.95 2grr h THR 436 N 0.50 1.24 -0.11 -2.27 2.02 -1.95 -0.46 112.91 111.88 2grr h THR 436 Ca 0.14 -0.86 -0.01 0.00 0.77 0.00 0.00 66.41 66.44 2grr h THR 436 Cb 0.06 0.63 -0.00 0.00 -1.74 0.00 0.00 68.15 67.10 2grr h THR 436 CO -0.02 0.33 0.03 0.15 0.37 0.00 0.00 175.52 176.37 2grr h PHE 437 N 0.88 0.17 -0.35 3.16 3.57 -0.98 -1.85 116.94 121.54 2grr h PHE 437 Ca 0.19 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.63 2grr h PHE 437 Cb 0.32 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.99 2grr h PHE 437 CO 0.02 0.32 0.05 -0.07 -2.23 0.00 0.00 178.31 176.40 2grr h LEU 438 N -0.02 0.48 -0.26 0.59 3.38 -0.79 -0.29 115.31 118.39 2grr h LEU 438 Ca 0.03 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2grr h LEU 438 Cb 0.23 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2grr h LEU 438 CO -0.00 0.51 -0.05 0.00 0.09 0.00 0.00 178.44 178.98 2grr h ALA 439 N 1.56 0.36 -2.52 1.53 0.00 -0.90 -3.38 119.26 115.91 2grr h ALA 439 Ca 0.12 -0.26 -0.60 0.00 0.00 0.00 0.00 54.91 54.16 2grr h ALA 439 Cb 0.25 -0.09 -0.39 0.00 0.00 0.00 0.00 17.79 17.56 2grr h ALA 439 CO 0.00 0.15 -0.89 1.19 0.00 0.00 0.00 179.25 179.70 2grr n PHE 440 N -4.55 -0.03 -1.91 0.00 3.01 -0.71 -5.10 117.46 108.17 2grr n PHE 440 Ca -0.04 -3.52 -0.41 0.00 1.01 0.00 0.00 57.45 54.49 2grr n PHE 440 Cb 0.30 0.07 -0.01 0.00 -0.01 0.00 0.00 39.48 39.83 2grr n PHE 440 CO 0.00 0.00 0.00 -2.14 1.01 0.00 0.00 176.76 175.63 2grr s PRO 441 N -0.28 4.20 -0.02 -1.08 0.02 -0.14 -4.69 135.00 133.01 2grr s PRO 441 Ca 0.31 2.44 -0.26 0.00 0.02 0.00 0.00 61.00 63.51 2grr s PRO 441 Cb 0.02 -3.04 0.06 0.00 0.02 0.00 0.00 34.50 31.56 2grr s PRO 441 CO -0.19 -0.46 0.56 -1.54 -0.33 0.00 0.00 177.00 175.04 2grr s SER 442 N 0.08 -0.51 0.23 2.53 1.04 -1.26 -4.95 113.70 110.85 2grr s SER 442 Ca 0.56 0.47 -0.07 0.00 0.48 0.00 0.00 55.95 57.39 2grr s SER 442 Cb -0.44 0.48 0.31 0.00 0.10 0.00 0.00 66.02 66.46 2grr s SER 442 CO 0.52 -0.59 1.82 -0.65 0.98 0.00 0.00 173.24 175.32 2grr h PRO 443 N 3.15 0.76 -0.42 4.02 0.11 -1.96 -2.01 132.00 135.66 2grr h PRO 443 Ca -0.28 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 2grr h PRO 443 Cb 1.16 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 2grr h PRO 443 CO 0.40 0.51 0.25 0.93 -0.21 0.00 0.00 178.00 179.87 2grr h GLU 444 N 0.79 0.58 -0.53 1.05 3.07 -1.96 -1.85 114.58 115.73 2grr h GLU 444 Ca 0.35 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 59.12 2grr h GLU 444 Cb 0.23 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.00 2grr h GLU 444 CO -0.20 0.44 0.20 0.87 -1.40 0.00 0.00 179.01 178.92 2grr h LYS 445 N 0.56 0.77 -0.24 2.33 1.57 -1.84 0.53 116.57 120.24 2grr h LYS 445 Ca 0.15 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2grr h LYS 445 Cb 0.02 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2grr h LYS 445 CO -0.03 0.64 0.08 1.25 -0.57 0.00 0.00 179.45 180.82 2grr h LEU 446 N 0.76 0.35 -1.15 2.94 5.85 -0.96 -2.54 115.31 120.56 2grr h LEU 446 Ca 0.18 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 2grr h LEU 446 Cb 0.17 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2grr h LEU 446 CO -0.02 0.46 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.41 2grr h LEU 447 N 0.22 0.50 -1.78 2.25 3.38 -0.92 -2.14 115.31 116.82 2grr h LEU 447 Ca 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2grr h LEU 447 Cb 0.23 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2grr h LEU 447 CO -0.00 0.61 0.00 0.03 0.09 0.00 0.00 178.44 179.17 2grr h ARG 448 N 0.49 0.00 0.00 1.13 3.08 -0.58 -2.21 114.38 116.29 2grr h ARG 448 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2grr h ARG 448 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2grr h ARG 448 CO 0.02 0.00 0.00 -0.07 -1.07 0.00 0.00 179.97 178.85 2grr h LEU 449 N 0.00 0.00 0.00 3.04 3.38 -0.98 -3.23 115.31 117.52 2grr h LEU 449 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2grr h LEU 449 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2grr h LEU 449 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 2grr n GLY 450 N -0.76 1.06 0.20 0.83 0.00 -0.83 -4.36 105.19 101.32 2grr n GLY 450 Ca -0.01 -2.10 0.14 0.00 0.00 0.00 0.00 46.02 44.06 2grr n GLY 450 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2grr h PRO 451 N 0.00 0.00 -0.37 1.61 0.13 -1.93 -1.83 132.00 129.61 2grr h PRO 451 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2grr h PRO 451 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2grr h PRO 451 CO 0.00 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.40 2grr n LYS 452 N -2.51 3.45 -0.32 0.86 5.02 -1.26 -4.69 118.16 118.72 2grr n LYS 452 Ca -0.01 -2.86 0.16 0.00 -2.02 0.00 0.00 58.31 53.58 2grr n LYS 452 Cb 0.12 -1.90 0.40 0.00 -0.02 0.00 0.00 35.03 33.63 2grr n LYS 452 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2grr h SER 453 N 2.51 0.64 -0.35 4.39 4.64 -1.53 -1.19 113.55 122.66 2grr h SER 453 Ca 0.00 0.08 0.01 0.00 -0.47 0.00 0.00 61.79 61.40 2grr h SER 453 Cb 1.51 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 63.55 2grr h SER 453 CO 0.27 0.23 0.23 0.77 -0.87 0.00 0.00 176.83 177.45 2grr h SER 454 N 0.62 0.39 -0.57 4.97 4.64 -1.85 -1.17 113.55 120.57 2grr h SER 454 Ca 0.54 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.78 2grr h SER 454 Cb 1.04 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 2grr h SER 454 CO -0.30 0.28 0.06 0.58 -0.87 0.00 0.00 176.83 176.58 2grr h VAL 455 N 0.46 1.26 -0.61 0.95 2.07 -1.58 -2.95 116.25 115.85 2grr h VAL 455 Ca 0.13 -1.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.55 2grr h VAL 455 Cb -0.04 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2grr h VAL 455 CO -0.04 0.38 0.15 -0.07 0.02 0.00 0.00 177.57 178.02 2grr h LEU 456 N 0.94 0.93 -0.55 2.57 3.38 -0.94 0.13 115.31 121.76 2grr h LEU 456 Ca 0.18 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2grr h LEU 456 Cb 0.46 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2grr h LEU 456 CO 0.02 0.92 0.28 0.40 0.09 0.00 0.00 178.44 180.15 2grr h ILE 457 N 0.89 1.20 -0.34 1.22 2.04 -1.15 -0.46 117.51 120.91 2grr h ILE 457 Ca 0.19 -0.54 -0.09 0.00 1.00 0.00 0.00 64.86 65.42 2grr h ILE 457 Cb 0.35 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.96 2grr h ILE 457 CO 0.00 0.22 -0.15 0.00 0.00 0.00 0.00 178.15 178.22 2grr h ALA 458 N 1.11 0.47 -0.85 1.87 0.00 -1.35 -2.80 119.26 117.72 2grr h ALA 458 Ca 0.19 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2grr h ALA 458 Cb 0.09 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2grr h ALA 458 CO -0.03 0.38 0.54 0.37 0.00 0.00 0.00 179.25 180.52 2grr h GLN 459 N 0.48 1.14 -0.26 0.00 4.15 -0.50 -2.75 115.11 117.37 2grr h GLN 459 Ca 0.08 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2grr h GLN 459 Cb 0.69 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.13 2grr h GLN 459 CO 0.05 0.77 0.00 1.04 -1.93 0.00 0.00 178.83 178.76 2grr n GLN 460 N -4.39 1.93 -4.30 1.69 1.13 -0.20 -4.86 117.38 108.37 2grr n GLN 460 Ca 0.10 -1.41 -0.35 0.00 -1.94 0.00 0.00 57.00 53.40 2grr n GLN 460 Cb 0.04 -1.40 -0.10 0.00 0.11 0.00 0.00 30.24 28.89 2grr n GLN 460 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2grr s THR 461 N -1.66 4.33 -1.00 5.09 2.01 -1.04 -5.03 115.64 118.35 2grr s THR 461 Ca 0.33 -0.22 -0.23 0.00 0.31 0.00 0.00 61.69 61.87 2grr s THR 461 Cb 0.18 -2.87 0.04 0.00 0.01 0.00 0.00 72.50 69.86 2grr s THR 461 CO 0.26 0.55 1.47 -0.62 -0.69 0.00 0.00 174.62 175.59 2grr s ASP 462 N -0.35 6.41 0.00 3.53 2.15 -1.26 -4.80 116.67 122.35 2grr s ASP 462 Ca 0.07 -1.35 0.13 0.00 0.43 0.00 0.00 52.55 51.82 2grr s ASP 462 Cb -0.12 -2.57 0.75 0.00 -0.30 0.00 0.00 42.92 40.68 2grr s ASP 462 CO 0.02 -1.59 1.26 0.35 -0.17 0.00 0.00 175.17 175.04 2grr n THR 463 N 6.92 0.00 1.02 1.71 -2.24 -1.26 -2.33 114.28 118.10 2grr n THR 463 Ca 0.32 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 62.23 2grr n THR 463 Cb 0.51 -0.44 0.42 0.00 -2.10 0.00 0.00 70.33 68.72 2grr n THR 463 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2grr n SER 464 N -0.78 0.29 -4.15 3.42 3.41 -1.26 -4.66 113.62 109.88 2grr n SER 464 Ca 0.09 0.05 -0.35 0.00 -0.26 0.00 0.00 58.87 58.40 2grr n SER 464 Cb 0.04 -0.08 -0.13 0.00 -0.26 0.00 0.00 64.21 63.78 2grr n SER 464 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2grr s ASP 465 N -2.98 4.95 0.33 4.04 -1.08 -0.98 -5.00 116.67 115.95 2grr s ASP 465 Ca 0.13 -1.48 0.07 0.00 -0.52 0.00 0.00 52.55 50.75 2grr s ASP 465 Cb 0.18 -1.73 0.76 0.00 -1.46 0.00 0.00 42.92 40.67 2grr s ASP 465 CO 0.62 -0.32 1.82 -0.65 0.52 0.00 0.00 175.17 177.16 2grr h PRO 466 N 7.98 0.74 -0.81 4.34 0.11 -1.86 -0.98 132.00 141.52 2grr h PRO 466 Ca -0.18 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.86 2grr h PRO 466 Cb 1.06 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 31.96 2grr h PRO 466 CO 0.56 0.49 0.40 1.49 -0.21 0.00 0.00 178.00 180.74 2grr h GLU 467 N 0.76 1.16 -0.03 1.05 4.57 -1.94 -0.23 114.58 119.91 2grr h GLU 467 Ca 0.52 -0.16 -0.12 0.00 -1.18 0.00 0.00 59.36 58.42 2grr h GLU 467 Cb 0.80 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.16 2grr h GLU 467 CO -0.29 0.88 -0.52 0.87 -1.18 0.00 0.00 179.01 178.78 2grr h LYS 468 N 1.14 0.09 -0.33 1.92 1.57 -1.51 -1.25 116.57 118.21 2grr h LYS 468 Ca 0.28 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.85 2grr h LYS 468 Cb 0.10 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 2grr h LYS 468 CO -0.04 0.58 -0.41 0.28 -0.57 0.00 0.00 179.45 179.30 2grr h VAL 469 N 0.07 1.28 -0.55 0.50 2.07 -0.80 -1.16 116.25 117.65 2grr h VAL 469 Ca -0.00 -1.59 -0.01 0.00 0.82 0.00 0.00 66.70 65.92 2grr h VAL 469 Cb 0.94 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 2grr h VAL 469 CO 0.07 0.52 0.30 0.58 0.02 0.00 0.00 177.57 179.07 2grr h VAL 470 N 0.65 1.18 -0.08 2.57 2.07 -0.85 0.40 116.25 122.18 2grr h VAL 470 Ca 0.04 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.10 2grr h VAL 470 Cb 1.00 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.25 2grr h VAL 470 CO 0.10 0.20 0.03 -1.28 0.02 0.00 0.00 177.57 176.63 2grr h SER 471 N 0.74 0.03 -0.53 0.57 0.87 -1.05 -0.50 113.55 113.68 2grr h SER 471 Ca 0.19 0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 2grr h SER 471 Cb 0.05 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 2grr h SER 471 CO -0.03 0.03 0.19 0.00 -0.53 0.00 0.00 176.83 176.49 2grr h ALA 472 N 1.05 0.69 -0.32 6.23 0.00 -1.03 -1.06 119.26 124.82 2grr h ALA 472 Ca 0.04 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2grr h ALA 472 Cb 0.02 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 2grr h ALA 472 CO -0.04 0.32 0.14 0.35 0.00 0.00 0.00 179.25 180.02 2grr h PHE 473 N 0.72 0.26 -0.40 0.00 3.57 -0.65 -0.64 116.94 119.80 2grr h PHE 473 Ca 0.17 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.57 2grr h PHE 473 Cb 0.23 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 2grr h PHE 473 CO 0.01 0.13 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.91 2grr h LEU 474 N 0.30 0.83 -0.38 0.59 3.38 -0.91 -0.46 115.31 118.65 2grr h LEU 474 Ca 0.14 -0.31 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2grr h LEU 474 Cb 0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 2grr h LEU 474 CO -0.11 1.03 0.01 0.11 0.09 0.00 0.00 178.44 179.56 2grr h LYS 475 N 0.70 0.67 -0.21 1.13 1.57 -0.98 -0.43 116.57 119.01 2grr h LYS 475 Ca 0.09 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2grr h LYS 475 Cb 0.77 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.01 2grr h LYS 475 CO 0.06 0.76 0.06 0.28 -0.57 0.00 0.00 179.45 180.04 2grr h VAL 476 N 0.49 1.20 0.00 0.50 2.07 -1.05 -2.83 116.25 116.63 2grr h VAL 476 Ca 0.11 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 2grr h VAL 476 Cb 0.46 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2grr h VAL 476 CO 0.02 0.20 -0.12 0.77 0.02 0.00 0.00 177.57 178.46 2grr h SER 477 N 0.16 0.00 0.22 0.57 4.64 -0.99 -2.76 113.55 115.39 2grr h SER 477 Ca 0.07 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 2grr h SER 477 Cb 0.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2grr h SER 477 CO -0.00 0.12 -0.00 0.77 -0.87 0.00 0.00 176.83 176.84 2grr h SER 478 N 0.00 0.00 -0.66 4.97 4.64 -0.81 -1.67 113.55 120.03 2grr h SER 478 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2grr h SER 478 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2grr h SER 478 CO 0.02 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.31 2grr n VAL 479 N -3.11 0.87 -1.73 0.95 0.24 -1.04 -4.84 118.33 109.67 2grr n VAL 479 Ca -0.02 -0.91 -0.42 0.00 -2.04 0.00 0.00 64.34 60.95 2grr n VAL 479 Cb 0.12 0.54 -0.02 0.00 -1.47 0.00 0.00 33.84 33.01 2grr n VAL 479 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 2grr n PHE 480 N 1.54 2.73 -3.91 6.34 7.35 -0.63 -4.53 117.46 126.36 2grr n PHE 480 Ca 0.23 0.27 -0.11 0.00 -0.76 0.00 0.00 57.45 57.08 2grr n PHE 480 Cb 0.59 -2.58 -0.12 0.00 0.35 0.00 0.00 39.48 37.72 2grr n PHE 480 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2grr s LYS 481 N -0.38 0.22 -1.35 -4.13 -0.14 -1.26 -4.79 119.74 107.90 2grr s LYS 481 Ca 0.65 -0.27 -0.12 0.00 -1.36 0.00 0.00 55.97 54.88 2grr s LYS 481 Cb -0.52 0.08 0.11 0.00 -1.68 0.00 0.00 37.83 35.82 2grr s LYS 481 CO 0.48 -0.04 2.00 -3.47 -0.76 0.00 0.00 175.35 173.55 2grr n ASP 482 N 2.26 4.59 -3.76 2.83 4.64 -1.26 -3.41 116.55 122.43 2grr n ASP 482 Ca -0.18 -2.99 -0.13 0.00 -1.38 0.00 0.00 54.79 50.11 2grr n ASP 482 Cb 0.57 -1.57 -0.13 0.00 -1.04 0.00 0.00 41.12 38.95 2grr n ASP 482 CO 0.00 0.00 0.00 -0.70 -0.82 0.00 0.00 177.20 175.68 2grr s GLU 483 N 1.74 0.16 0.07 -0.67 -6.30 -1.26 -5.04 118.70 107.40 2grr s GLU 483 Ca 0.43 0.37 -0.14 0.00 -2.50 0.00 0.00 54.97 53.13 2grr s GLU 483 Cb 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 34.13 34.13 2grr s GLU 483 CO -0.03 -0.12 1.02 0.00 0.02 0.00 0.00 175.26 176.15 2grr n ALA 484 N 3.80 -0.28 -0.25 6.30 0.00 -1.26 -0.41 120.51 128.41 2grr n ALA 484 Ca -0.21 0.37 -0.06 0.00 0.00 0.00 0.00 53.44 53.54 2grr n ALA 484 Cb 0.54 0.11 0.05 0.00 0.00 0.00 0.00 19.45 20.16 2grr n ALA 484 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2grr h THR 485 N 0.00 1.23 -0.14 0.00 1.35 -1.99 -1.75 112.91 111.60 2grr h THR 485 Ca 0.07 -0.62 -0.12 0.00 -0.55 0.00 0.00 66.41 65.20 2grr h THR 485 Cb 0.18 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 66.94 2grr h THR 485 CO -0.41 0.26 -0.37 0.58 -0.25 0.00 0.00 175.52 175.33 2grr h VAL 486 N 0.98 1.36 -0.45 6.82 2.07 -1.75 -1.98 116.25 123.30 2grr h VAL 486 Ca 0.24 -1.65 0.04 0.00 0.82 0.00 0.00 66.70 66.16 2grr h VAL 486 Cb 0.09 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 2grr h VAL 486 CO -0.03 0.50 0.21 -0.09 0.02 0.00 0.00 177.57 178.17 2grr h ARG 487 N 0.11 0.40 -0.40 1.57 2.43 -0.69 0.10 114.38 117.91 2grr h ARG 487 Ca -0.01 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 2grr h ARG 487 Cb 0.98 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.42 2grr h ARG 487 CO 0.08 0.27 0.14 1.98 -1.51 0.00 0.00 179.97 180.93 2grr h MET 488 N 0.42 0.60 -0.64 0.20 4.05 -1.32 -0.60 114.93 117.64 2grr h MET 488 Ca 0.20 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.49 2grr h MET 488 Cb 0.13 -0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 30.81 2grr h MET 488 CO -0.16 0.58 0.37 0.00 0.23 0.00 0.00 176.91 177.93 2grr h ALA 489 N 0.99 0.82 -0.15 0.39 0.00 -0.87 0.35 119.26 120.79 2grr h ALA 489 Ca 0.13 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2grr h ALA 489 Cb 0.22 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2grr h ALA 489 CO -0.01 0.31 -0.02 0.28 0.00 0.00 0.00 179.25 179.81 2grr h VAL 490 N 0.87 1.28 -0.58 0.00 2.07 -0.87 -1.95 116.25 117.07 2grr h VAL 490 Ca 0.23 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.81 2grr h VAL 490 Cb 0.01 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 2grr h VAL 490 CO -0.04 0.28 0.37 1.56 0.02 0.00 0.00 177.57 179.75 2grr h GLN 491 N -0.02 0.77 -0.78 1.57 4.20 -0.92 -0.27 115.11 119.67 2grr h GLN 491 Ca 0.04 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.64 2grr h GLN 491 Cb 0.43 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 2grr h GLN 491 CO 0.01 0.53 0.29 -0.44 -0.67 0.00 0.00 178.83 178.55 2grr h ASP 492 N 0.78 1.10 -0.38 1.46 3.32 -0.92 -0.82 116.42 120.96 2grr h ASP 492 Ca 0.21 -0.19 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 2grr h ASP 492 Cb -0.06 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 2grr h ASP 492 CO -0.04 0.99 -0.07 0.00 -1.72 0.00 0.00 179.24 178.39 2grr h ALA 493 N 1.15 0.52 -0.58 3.45 0.00 -1.00 -1.00 119.26 121.79 2grr h ALA 493 Ca 0.26 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.88 2grr h ALA 493 Cb 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 2grr h ALA 493 CO -0.02 0.36 0.38 0.28 0.00 0.00 0.00 179.25 180.26 2grr h VAL 494 N 0.52 1.13 -0.36 0.00 2.07 -0.86 -1.02 116.25 117.73 2grr h VAL 494 Ca 0.10 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 2grr h VAL 494 Cb 0.58 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2grr h VAL 494 CO 0.03 0.14 0.13 0.44 0.02 0.00 0.00 177.57 178.34 2grr h ASP 495 N 0.78 0.51 -0.40 0.57 3.32 -0.94 0.16 116.42 120.42 2grr h ASP 495 Ca 0.22 -0.18 -0.03 0.00 0.02 0.00 0.00 57.03 57.06 2grr h ASP 495 Cb -0.07 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2grr h ASP 495 CO -0.06 0.56 0.14 0.00 -1.72 0.00 0.00 179.24 178.16 2grr h ALA 496 N 0.98 0.52 0.15 3.45 0.00 -1.00 0.01 119.26 123.36 2grr h ALA 496 Ca 0.12 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2grr h ALA 496 Cb 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2grr h ALA 496 CO -0.01 0.14 -0.07 1.25 0.00 0.00 0.00 179.25 180.56 2grr h LEU 497 N 0.49 -0.17 -0.72 0.00 5.85 -1.07 -2.26 115.31 117.45 2grr h LEU 497 Ca 0.13 -0.12 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 2grr h LEU 497 Cb 0.22 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 2grr h LEU 497 CO -0.01 0.01 -0.61 0.24 -0.34 0.00 0.00 178.44 177.74 2grr h MET 498 N -0.34 0.12 -0.29 1.25 2.86 -0.95 -0.92 114.93 116.67 2grr h MET 498 Ca -0.02 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 2grr h MET 498 Cb 0.27 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 2grr h MET 498 CO 0.03 0.69 0.10 0.37 1.06 0.00 0.00 176.91 179.17 2grr h GLN 499 N 0.09 0.44 -0.65 1.72 4.15 -0.99 0.15 115.11 120.02 2grr h GLN 499 Ca -0.01 -0.09 -0.02 0.00 0.77 0.00 0.00 58.65 59.31 2grr h GLN 499 Cb 1.09 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.69 2grr h GLN 499 CO 0.09 0.48 0.33 -0.22 -1.93 0.00 0.00 178.83 177.57 2grr h LYS 500 N 0.30 0.92 0.40 1.69 3.64 -1.16 -1.35 116.57 121.01 2grr h LYS 500 Ca 0.09 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 2grr h LYS 500 Cb 0.21 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2grr h LYS 500 CO -0.01 0.72 -0.19 0.00 -2.27 0.00 0.00 179.45 177.70 2grr h ALA 501 N 1.15 -0.54 -0.63 5.00 0.00 -1.00 -3.33 119.26 119.92 2grr h ALA 501 Ca 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2grr h ALA 501 Cb 0.09 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 2grr h ALA 501 CO -0.03 -0.60 0.34 0.74 0.00 0.00 0.00 179.25 179.70 2grr h PHE 502 N -0.95 0.85 0.00 0.00 0.05 -0.71 -2.83 116.94 113.35 2grr h PHE 502 Ca -0.05 -0.01 0.00 0.00 3.82 0.00 0.00 57.97 61.72 2grr h PHE 502 Cb 0.55 -0.27 0.00 0.00 2.00 0.00 0.00 35.95 38.23 2grr h PHE 502 CO 0.02 0.60 0.00 0.09 -0.18 0.00 0.00 178.31 178.84 2grr n ASN 503 N -4.38 0.00 -4.67 2.17 3.02 -0.51 -4.60 115.26 106.29 2grr n ASN 503 Ca 0.06 0.10 -0.42 0.00 -0.03 0.00 0.00 54.58 54.29 2grr n ASN 503 Cb 0.10 -0.30 -0.03 0.00 -0.61 0.00 0.00 39.78 38.94 2grr n ASN 503 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2grr s SER 504 N -2.60 7.04 0.49 6.41 0.15 -1.07 -4.90 113.70 119.21 2grr s SER 504 Ca 0.14 1.28 0.33 0.00 0.70 0.00 0.00 55.95 58.40 2grr s SER 504 Cb 0.10 -2.49 1.69 0.00 -1.71 0.00 0.00 66.02 63.61 2grr s SER 504 CO 0.24 -0.46 2.01 0.77 1.20 0.00 0.00 173.24 176.99 2grr h SER 505 N 7.32 0.00 0.41 5.45 4.64 -1.89 -1.83 113.55 127.64 2grr h SER 505 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2grr h SER 505 Cb 1.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.21 2grr h SER 505 CO 0.87 0.00 -0.92 -1.54 -0.87 0.00 0.00 176.83 174.37 2grr n SER 506 N -2.71 0.64 -4.70 4.97 3.41 -1.26 -4.91 113.62 109.05 2grr n SER 506 Ca -0.01 -0.29 -0.42 0.00 -0.26 0.00 0.00 58.87 57.88 2grr n SER 506 Cb 0.11 0.70 -0.03 0.00 -0.26 0.00 0.00 64.21 64.74 2grr n SER 506 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2grr s PHE 507 N -3.14 2.95 -0.71 7.33 5.36 -0.69 -4.95 117.98 124.13 2grr s PHE 507 Ca 0.05 0.84 -0.23 0.00 -0.96 0.00 0.00 56.93 56.64 2grr s PHE 507 Cb 0.15 -3.68 0.07 0.00 -0.34 0.00 0.00 43.02 39.22 2grr s PHE 507 CO 0.79 -2.48 1.05 1.21 -1.46 0.00 0.00 175.22 174.33 2grr s ASN 508 N 1.67 6.22 0.40 6.13 3.84 -1.26 -4.87 114.94 127.07 2grr s ASN 508 Ca 0.64 -1.00 0.09 0.00 0.21 0.00 0.00 52.86 52.81 2grr s ASN 508 Cb -0.33 -2.45 0.83 0.00 -0.55 0.00 0.00 41.25 38.75 2grr s ASN 508 CO 0.28 -1.49 1.96 0.28 -2.79 0.00 0.00 177.10 175.34 2grr h SER 509 N 9.60 0.26 -0.39 -4.21 0.02 -1.95 -2.00 113.55 114.87 2grr h SER 509 Ca -0.23 -0.04 -0.14 0.00 -0.84 0.00 0.00 61.79 60.54 2grr h SER 509 Cb 1.06 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 2grr h SER 509 CO 1.20 0.35 -0.28 0.78 -1.14 0.00 0.00 176.83 177.75 2grr h ASN 510 N 0.27 0.95 -0.60 3.07 2.35 -1.99 -1.26 115.58 118.37 2grr h ASN 510 Ca 0.06 -0.38 -0.07 0.00 -0.55 0.00 0.00 56.30 55.36 2grr h ASN 510 Cb 0.27 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 2grr h ASN 510 CO 0.01 1.16 0.11 0.74 -1.65 0.00 0.00 177.43 177.81 2grr h THR 511 N 0.78 1.26 -0.21 2.81 2.02 -1.87 -0.31 112.91 117.39 2grr h THR 511 Ca 0.09 -0.97 0.02 0.00 0.77 0.00 0.00 66.41 66.32 2grr h THR 511 Cb 0.85 0.72 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 2grr h THR 511 CO 0.07 0.36 0.07 0.15 0.37 0.00 0.00 175.52 176.54 2grr h PHE 512 N 0.89 0.12 -0.35 3.16 3.57 -1.14 -0.51 116.94 122.68 2grr h PHE 512 Ca 0.18 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2grr h PHE 512 Cb 0.40 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2grr h PHE 512 CO 0.03 0.06 0.19 1.25 -2.23 0.00 0.00 178.31 177.60 2grr h LEU 513 N 0.17 0.44 -0.07 0.59 6.46 -0.93 0.08 115.31 122.04 2grr h LEU 513 Ca 0.09 -0.10 0.01 0.00 -0.12 0.00 0.00 57.88 57.77 2grr h LEU 513 Cb 0.06 -0.11 -0.01 0.00 -0.73 0.00 0.00 40.66 39.87 2grr h LEU 513 CO -0.10 0.42 -0.02 0.74 -0.62 0.00 0.00 178.44 178.86 2grr h THR 514 N 0.44 0.93 0.00 1.05 2.02 -0.81 -1.17 112.91 115.37 2grr h THR 514 Ca 0.12 -0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.23 2grr h THR 514 Cb 0.08 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 2grr h THR 514 CO -0.02 0.00 -0.33 0.03 0.37 0.00 0.00 175.52 175.57 2grr h ARG 515 N 0.00 0.00 -0.23 6.66 2.47 -0.96 -0.82 114.38 121.51 2grr h ARG 515 Ca 0.03 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.72 2grr h ARG 515 Cb 0.05 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 2grr h ARG 515 CO -0.07 0.33 0.03 1.25 0.56 0.00 0.00 179.97 182.07 2grr h LEU 516 N 0.00 0.37 -0.98 3.04 5.85 -0.50 -0.45 115.31 122.63 2grr h LEU 516 Ca -0.00 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 58.41 2grr h LEU 516 Cb 0.59 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 2grr h LEU 516 CO 0.04 0.55 0.31 -0.07 -0.34 0.00 0.00 178.44 178.94 2grr h LEU 517 N 0.17 0.95 -0.03 2.25 3.38 -0.84 -0.10 115.31 121.10 2grr h LEU 517 Ca 0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2grr h LEU 517 Cb 0.34 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 2grr h LEU 517 CO 0.01 0.83 0.01 0.58 0.09 0.00 0.00 178.44 179.95 2grr h VAL 518 N 1.03 1.13 0.00 1.22 2.07 -0.96 0.02 116.25 120.76 2grr h VAL 518 Ca 0.24 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 2grr h VAL 518 Cb 0.15 1.36 -0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2grr h VAL 518 CO -0.03 0.11 -0.08 0.45 0.02 0.00 0.00 177.57 178.04 2grr h HIS 519 N -0.12 0.00 -0.01 1.57 3.86 -0.76 -0.73 115.15 118.96 2grr h HIS 519 Ca 0.01 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 2grr h HIS 519 Cb 0.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2grr h HIS 519 CO -0.02 0.08 -0.07 -1.33 0.86 0.00 0.00 177.93 177.45 2grr n MET 520 N -3.32 1.21 -1.48 2.45 2.00 -0.08 -2.72 117.12 115.17 2grr n MET 520 Ca -0.01 -0.57 -0.06 0.00 0.00 0.00 0.00 57.70 57.06 2grr n MET 520 Cb 0.27 -1.49 -0.02 0.00 0.00 0.00 0.00 33.22 31.98 2grr n MET 520 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2grr n GLY 521 N 1.20 0.63 0.00 3.03 0.00 -0.28 -4.80 105.19 104.98 2grr n GLY 521 Ca 0.18 -0.71 0.10 0.00 0.00 0.00 0.00 46.02 45.58 2grr n GLY 521 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2grr n LEU 522 N -0.80 0.60 -3.83 0.99 4.77 -0.06 -4.93 117.00 113.74 2grr n LEU 522 Ca -0.07 -0.32 -0.13 0.00 -0.03 0.00 0.00 56.01 55.47 2grr n LEU 522 Cb 0.32 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.27 2grr n LEU 522 CO 0.10 0.15 -0.34 -0.22 -1.33 0.00 0.00 177.39 175.74 2grr s LEU 523 N -3.49 1.64 0.80 2.23 2.96 -1.14 -4.97 118.68 116.71 2grr s LEU 523 Ca 0.02 0.04 -0.12 0.00 -0.22 0.00 0.00 54.13 53.86 2grr s LEU 523 Cb 0.14 0.03 0.07 0.00 0.50 0.00 0.00 46.19 46.93 2grr s LEU 523 CO 0.84 -0.05 1.10 -1.59 -1.32 0.00 0.00 176.35 175.33 2grr s LYS 524 N 0.36 2.10 0.09 1.98 -2.85 -1.26 -4.10 119.74 116.07 2grr s LYS 524 Ca -0.03 0.60 -0.06 0.00 -1.00 0.00 0.00 55.97 55.48 2grr s LYS 524 Cb -0.04 -1.92 -0.01 0.00 -2.06 0.00 0.00 37.83 33.79 2grr s LYS 524 CO -0.01 -1.60 0.14 -1.54 0.10 0.00 0.00 175.35 172.44 2grr s SER 525 N -3.95 0.21 0.28 0.03 1.04 -1.26 -4.92 113.70 105.12 2grr s SER 525 Ca 0.61 -0.81 0.14 0.00 0.48 0.00 0.00 55.95 56.36 2grr s SER 525 Cb -0.14 0.32 0.25 0.00 0.10 0.00 0.00 66.02 66.55 2grr s SER 525 CO 0.54 -0.72 1.53 -0.33 0.98 0.00 0.00 173.24 175.23 2grr h GLU 526 N 2.82 0.00 -6.29 4.02 5.08 -2.05 -3.45 114.58 114.71 2grr h GLU 526 Ca -0.34 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.51 2grr h GLU 526 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2grr h GLU 526 CO 0.58 0.59 -0.30 0.16 -1.00 0.00 0.00 179.01 179.03 2grr s ASP 527 N -6.56 6.37 -0.05 1.42 -4.77 -1.26 -5.07 116.67 106.75 2grr s ASP 527 Ca 0.01 0.41 -0.27 0.00 -3.30 0.00 0.00 52.55 49.40 2grr s ASP 527 Cb 0.10 -2.01 -0.03 0.00 -1.09 0.00 0.00 42.92 39.89 2grr s ASP 527 CO 0.74 -0.10 0.88 -0.75 0.70 0.00 0.00 175.17 176.64 2grr s LYS 528 N -3.56 4.47 0.09 2.11 2.47 -1.26 -5.05 119.74 119.02 2grr s LYS 528 Ca 0.39 1.20 0.05 0.00 -1.56 0.00 0.00 55.97 56.04 2grr s LYS 528 Cb -0.11 -3.48 -0.03 0.00 -1.46 0.00 0.00 37.83 32.75 2grr s LYS 528 CO 0.30 -0.08 -0.12 0.14 0.16 0.00 0.00 175.35 175.75 2grr s VAL 529 N 1.19 1.06 -1.00 4.02 -7.23 -1.26 -5.09 120.40 112.10 2grr s VAL 529 Ca 0.45 -1.53 -0.10 0.00 -1.81 0.00 0.00 61.98 58.99 2grr s VAL 529 Cb -0.19 -1.28 0.25 0.00 0.56 0.00 0.00 36.38 35.73 2grr s VAL 529 CO 0.22 -0.42 0.97 -1.59 -0.31 0.00 0.00 175.10 173.97 2grr s LYS 530 N -2.39 3.93 0.21 4.82 -2.85 -1.26 -5.04 119.74 117.15 2grr s LYS 530 Ca 0.03 -2.96 -0.32 0.00 -1.00 0.00 0.00 55.97 51.73 2grr s LYS 530 Cb -0.06 -4.47 -0.14 0.00 -2.06 0.00 0.00 37.83 31.11 2grr s LYS 530 CO 0.01 -1.26 1.42 0.00 0.10 0.00 0.00 175.35 175.63 2grr n ALA 531 N 3.13 0.90 -1.22 0.59 0.00 -1.26 -4.92 120.51 117.73 2grr n ALA 531 Ca 0.20 0.43 -0.35 0.00 0.00 0.00 0.00 53.44 53.72 2grr n ALA 531 Cb 0.42 -2.26 0.11 0.00 0.00 0.00 0.00 19.45 17.71 2grr n ALA 531 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2grr n ILE 532 N 2.24 2.38 0.10 0.00 -5.35 -1.10 -4.96 119.36 112.66 2grr n ILE 532 Ca 0.13 -0.29 -0.22 0.00 -0.27 0.00 0.00 62.75 62.10 2grr n ILE 532 Cb 0.30 -1.13 -0.15 0.00 -1.74 0.00 0.00 39.64 36.91 2grr n ILE 532 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2grr h ALA 533 N -0.60 0.08 -3.02 -1.28 0.00 -1.94 -3.45 119.26 109.05 2grr h ALA 533 Ca -0.47 -1.04 -0.66 0.00 0.00 0.00 0.00 54.91 52.74 2grr h ALA 533 Cb 1.31 0.32 -0.29 0.00 0.00 0.00 0.00 17.79 19.14 2grr h ALA 533 CO 0.46 0.95 -0.74 1.21 0.00 0.00 0.00 179.25 181.12 2grr s ASN 534 N -7.31 4.13 0.00 0.00 2.47 -1.26 -4.98 114.94 107.99 2grr s ASN 534 Ca -0.12 -0.42 0.26 0.00 0.42 0.00 0.00 52.86 53.00 2grr s ASN 534 Cb 0.05 -1.70 0.70 0.00 -1.45 0.00 0.00 41.25 38.86 2grr s ASN 534 CO 0.88 -0.01 1.54 0.18 -3.72 0.00 0.00 177.10 175.98 2grr n LEU 535 N 4.71 1.95 0.10 3.21 4.77 -1.26 -4.50 117.00 125.98 2grr n LEU 535 Ca -0.19 -0.65 -0.15 0.00 -0.03 0.00 0.00 56.01 55.00 2grr n LEU 535 Cb 0.51 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.50 2grr n LEU 535 CO 0.29 0.33 0.55 0.22 -1.33 0.00 0.00 177.39 177.45 2grr h TYR 536 N 2.99 -1.36 0.05 -1.77 3.20 -1.93 -0.14 116.97 118.02 2grr h TYR 536 Ca 0.00 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.91 2grr h TYR 536 Cb 0.67 0.58 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 2grr h TYR 536 CO 0.00 -0.55 -0.08 0.78 -1.64 0.00 0.00 178.16 176.67 2grr h GLY 537 N -0.68 -0.14 0.52 1.82 0.00 -1.79 -1.13 103.07 101.67 2grr h GLY 537 Ca 0.02 0.09 0.09 0.00 0.00 0.00 0.00 47.33 47.53 2grr h GLY 537 CO -0.29 -0.09 0.44 -2.55 0.00 0.00 0.00 176.54 174.05 2grr h PRO 538 N -0.16 0.72 -0.46 4.80 0.11 -1.66 0.87 132.00 136.21 2grr h PRO 538 Ca 0.01 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 66.01 2grr h PRO 538 Cb 0.17 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.11 2grr h PRO 538 CO -0.04 0.48 0.02 -0.07 -0.21 0.00 0.00 178.00 178.17 2grr h LEU 539 N 0.74 0.78 -0.87 2.35 3.38 -0.72 -0.40 115.31 120.58 2grr h LEU 539 Ca 0.38 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2grr h LEU 539 Cb 0.35 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2grr h LEU 539 CO -0.25 0.89 -0.15 0.24 0.09 0.00 0.00 178.44 179.26 2grr h MET 540 N 0.66 0.68 -0.47 1.13 2.86 -0.67 -0.44 114.93 118.68 2grr h MET 540 Ca 0.13 -0.23 -0.10 0.00 -2.06 0.00 0.00 59.70 57.45 2grr h MET 540 Cb 0.47 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 2grr h MET 540 CO 0.02 0.80 -0.08 0.00 1.06 0.00 0.00 176.91 178.71 2grr h ALA 541 N 1.22 0.64 -0.54 6.32 0.00 -0.63 -2.72 119.26 123.56 2grr h ALA 541 Ca 0.10 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 2grr h ALA 541 Cb 0.60 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2grr h ALA 541 CO 0.04 0.52 0.08 -0.07 0.00 0.00 0.00 179.25 179.82 2grr h LEU 542 N 0.73 0.80 -0.90 0.00 3.38 -0.83 0.11 115.31 118.60 2grr h LEU 542 Ca 0.12 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.00 2grr h LEU 542 Cb 0.62 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.09 2grr h LEU 542 CO 0.04 0.82 0.56 -1.13 0.09 0.00 0.00 178.44 178.82 2grr h ASN 543 N 0.81 0.87 -0.04 -0.43 -1.24 -0.80 -1.31 115.58 113.43 2grr h ASN 543 Ca 0.17 0.02 -0.07 0.00 0.71 0.00 0.00 56.30 57.13 2grr h ASN 543 Cb 0.36 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.26 2grr h ASN 543 CO 0.01 0.54 -0.24 -0.74 -1.29 0.00 0.00 177.43 175.71 2grr h HIS 544 N 1.00 0.33 -0.52 0.67 2.76 -1.15 -3.35 115.15 114.89 2grr h HIS 544 Ca 0.40 -0.15 0.08 0.00 -2.20 0.00 0.00 60.37 58.50 2grr h HIS 544 Cb 0.22 -0.05 -0.06 0.00 1.55 0.00 0.00 27.41 29.07 2grr h HIS 544 CO -0.03 0.88 0.16 1.98 -1.30 0.00 0.00 177.93 179.62 2grr h MET 545 N -0.31 0.31 0.00 5.26 1.85 -0.49 -2.27 114.93 119.29 2grr h MET 545 Ca -0.02 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.05 2grr h MET 545 Cb 0.91 -0.07 0.00 0.00 0.43 0.00 0.00 31.60 32.87 2grr h MET 545 CO 0.05 0.20 0.00 1.33 -0.40 0.00 0.00 176.91 178.09 2grr n VAL 546 N -5.04 1.10 1.13 -5.77 0.24 -0.54 -1.65 118.33 107.80 2grr n VAL 546 Ca 0.06 0.28 0.12 0.00 -2.04 0.00 0.00 64.34 62.76 2grr n VAL 546 Cb 0.23 -1.10 0.20 0.00 -1.47 0.00 0.00 33.84 31.70 2grr n VAL 546 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2grr n GLN 547 N -1.42 1.10 -3.15 7.34 6.02 -0.85 -4.94 117.38 121.48 2grr n GLN 547 Ca 0.03 -0.80 -0.31 0.00 -0.01 0.00 0.00 57.00 55.91 2grr n GLN 547 Cb 0.11 -1.48 -0.04 0.00 1.02 0.00 0.00 30.24 29.84 2grr n GLN 547 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 2grr s GLN 548 N -2.45 3.81 0.45 -1.09 -1.52 -0.66 -4.99 119.66 113.21 2grr s GLN 548 Ca 0.22 0.39 0.11 0.00 -1.95 0.00 0.00 55.36 54.13 2grr s GLN 548 Cb 0.19 -2.51 1.00 0.00 -0.22 0.00 0.00 33.01 31.46 2grr s GLN 548 CO 0.53 0.14 2.05 -0.44 -0.25 0.00 0.00 175.29 177.32 2grr h ASP 549 N 1.89 0.22 0.90 5.90 3.32 -1.93 -2.25 116.42 124.47 2grr h ASP 549 Ca -0.47 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2grr h ASP 549 Cb 1.18 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.68 2grr h ASP 549 CO 0.66 0.22 0.00 0.00 -1.72 0.00 0.00 179.24 178.40 2grr n TYR 550 N -4.44 0.59 -2.37 4.55 0.18 -1.26 -4.78 117.16 109.63 2grr n TYR 550 Ca -0.00 0.21 -0.43 0.00 1.88 0.00 0.00 57.90 59.56 2grr n TYR 550 Cb 0.13 -0.84 -0.02 0.00 -0.38 0.00 0.00 39.34 38.23 2grr n TYR 550 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 2grr s PHE 551 N -3.17 2.85 -0.29 -3.48 5.36 -0.85 -4.85 117.98 113.56 2grr s PHE 551 Ca 0.07 0.96 -0.29 0.00 -0.96 0.00 0.00 56.93 56.71 2grr s PHE 551 Cb 0.11 -3.54 -0.02 0.00 -0.34 0.00 0.00 43.02 39.23 2grr s PHE 551 CO 0.43 -1.90 1.60 -2.14 -1.46 0.00 0.00 175.22 171.76 2grr s PRO 552 N 3.10 3.65 0.60 10.12 0.02 -1.26 -4.86 135.00 146.37 2grr s PRO 552 Ca 0.58 1.45 0.31 0.00 0.02 0.00 0.00 61.00 63.35 2grr s PRO 552 Cb -0.25 -4.06 1.80 0.00 0.02 0.00 0.00 34.50 32.01 2grr s PRO 552 CO 0.19 -1.47 2.18 0.87 -0.33 0.00 0.00 177.00 178.44 2grr h LYS 553 N 11.16 0.00 0.00 5.54 1.57 -1.95 -1.46 116.57 131.44 2grr h LYS 553 Ca -0.32 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2grr h LYS 553 Cb 1.14 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.45 2grr h LYS 553 CO 1.03 0.00 -0.01 0.00 -0.57 0.00 0.00 179.45 179.90 2grr h ALA 554 N 1.85 1.10 0.00 3.86 0.00 -2.03 -1.38 119.26 122.67 2grr h ALA 554 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2grr h ALA 554 Cb 0.27 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2grr h ALA 554 CO -0.00 0.01 -0.22 -0.07 0.00 0.00 0.00 179.25 178.97 2grr h LEU 555 N 0.00 0.00 -0.43 0.00 3.38 -1.66 -3.37 115.31 113.22 2grr h LEU 555 Ca -0.00 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.02 2grr h LEU 555 Cb 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 2grr h LEU 555 CO 0.00 0.01 0.14 0.00 0.09 0.00 0.00 178.44 178.68 2grr h ALA 556 N 2.09 0.51 -0.62 1.53 0.00 -1.40 -1.41 119.26 119.96 2grr h ALA 556 Ca 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2grr h ALA 556 Cb 0.96 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 2grr h ALA 556 CO 0.00 -0.25 0.34 -1.35 0.00 0.00 0.00 179.25 178.00 2grr h PRO 557 N 0.31 0.85 -0.23 0.00 0.11 -1.76 0.39 132.00 131.66 2grr h PRO 557 Ca 0.21 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 66.15 2grr h PRO 557 Cb 0.21 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.14 2grr h PRO 557 CO -0.22 0.62 -0.16 -0.07 -0.21 0.00 0.00 178.00 177.96 2grr h LEU 558 N 0.86 0.55 -0.37 2.35 4.07 -1.68 -1.01 115.31 120.08 2grr h LEU 558 Ca 0.22 -0.44 -0.01 0.00 0.08 0.00 0.00 57.88 57.73 2grr h LEU 558 Cb 0.01 -0.15 -0.02 0.00 1.08 0.00 0.00 40.66 41.58 2grr h LEU 558 CO -0.04 0.87 0.20 0.25 -1.08 0.00 0.00 178.44 178.65 2grr h LEU 559 N 0.23 0.46 -0.43 1.67 6.46 -0.95 -2.48 115.31 120.28 2grr h LEU 559 Ca 0.05 -0.09 0.04 0.00 -0.12 0.00 0.00 57.88 57.76 2grr h LEU 559 Cb 0.69 -0.12 -0.04 0.00 -0.73 0.00 0.00 40.66 40.46 2grr h LEU 559 CO 0.04 0.41 0.18 0.25 -0.62 0.00 0.00 178.44 178.71 2grr h LEU 560 N 0.47 0.24 -0.96 2.25 5.85 -0.85 -0.54 115.31 121.76 2grr h LEU 560 Ca 0.13 0.04 0.09 0.00 0.84 0.00 0.00 57.88 58.97 2grr h LEU 560 Cb 0.05 -0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.01 2grr h LEU 560 CO -0.02 0.17 0.61 0.00 -0.34 0.00 0.00 178.44 178.86 2grr h ALA 561 N 1.25 1.38 0.00 1.25 0.00 -0.86 -0.93 119.26 121.35 2grr h ALA 561 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2grr h ALA 561 Cb 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2grr h ALA 561 CO -0.17 0.30 -0.59 0.74 0.00 0.00 0.00 179.25 179.54 2grr h PHE 562 N 1.04 0.00 0.00 0.00 -1.00 -1.00 -2.71 116.94 113.27 2grr h PHE 562 Ca 0.44 0.00 -0.15 0.00 2.81 0.00 0.00 57.97 61.07 2grr h PHE 562 Cb 0.31 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.84 2grr h PHE 562 CO -0.01 0.00 -1.18 0.28 -1.61 0.00 0.00 178.31 175.79 2grr h VAL 563 N 0.00 0.62 0.00 -0.55 2.07 -0.69 -3.32 116.25 114.39 2grr h VAL 563 Ca 0.00 -2.09 -0.05 0.00 0.82 0.00 0.00 66.70 65.38 2grr h VAL 563 Cb 0.80 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 2grr h VAL 563 CO 0.00 0.35 -0.73 0.71 0.02 0.00 0.00 177.57 177.92 2grr h THR 564 N 0.00 0.24 -3.42 2.57 1.35 -1.24 -3.46 112.91 108.94 2grr h THR 564 Ca -0.12 -1.40 -0.53 0.00 -0.55 0.00 0.00 66.41 63.81 2grr h THR 564 Cb 1.54 1.89 0.06 0.00 -1.73 0.00 0.00 68.15 69.92 2grr h THR 564 CO 0.05 0.14 0.77 -0.75 -0.25 0.00 0.00 175.52 175.49 2grr s LYS 565 N -3.17 4.24 0.23 4.72 2.20 -1.02 -4.91 119.74 122.03 2grr s LYS 565 Ca 0.02 2.35 -0.31 0.00 -0.36 0.00 0.00 55.97 57.67 2grr s LYS 565 Cb 0.08 -3.09 -0.14 0.00 -1.51 0.00 0.00 37.83 33.17 2grr s LYS 565 CO 0.75 -0.44 1.22 -2.30 -0.36 0.00 0.00 175.35 174.22 2grr n PRO 566 N 2.14 1.53 -3.60 4.03 -0.02 -1.26 -4.98 135.00 132.84 2grr n PRO 566 Ca 0.06 0.54 -0.01 0.00 -2.02 0.00 0.00 63.50 62.07 2grr n PRO 566 Cb 0.40 -2.07 -0.06 0.00 -0.02 0.00 0.00 33.50 31.75 2grr n PRO 566 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2grr s ASN 567 N -0.04 -0.50 0.23 2.55 3.84 -1.26 -5.06 114.94 114.69 2grr s ASN 567 Ca 0.68 0.78 -0.07 0.00 0.21 0.00 0.00 52.86 54.45 2grr s ASN 567 Cb -0.74 1.29 0.32 0.00 -0.55 0.00 0.00 41.25 41.57 2grr s ASN 567 CO 0.53 -0.12 1.80 0.28 -2.79 0.00 0.00 177.10 176.81 2grr h SER 568 N 6.31 0.59 -0.89 -4.21 0.02 -1.98 -1.55 113.55 111.84 2grr h SER 568 Ca -0.26 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 60.76 2grr h SER 568 Cb 1.18 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.60 2grr h SER 568 CO 0.18 0.36 0.58 0.00 -1.14 0.00 0.00 176.83 176.80 2grr h ALA 569 N 1.41 1.16 -0.17 3.77 0.00 -1.96 -2.13 119.26 121.34 2grr h ALA 569 Ca 0.35 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.05 2grr h ALA 569 Cb 0.28 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2grr h ALA 569 CO -0.22 0.47 -0.57 -0.07 0.00 0.00 0.00 179.25 178.86 2grr h LEU 570 N 1.15 0.58 -1.92 0.00 3.38 -1.82 -2.92 115.31 113.76 2grr h LEU 570 Ca 0.35 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2grr h LEU 570 Cb -0.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2grr h LEU 570 CO -0.10 1.03 -0.07 -0.33 0.09 0.00 0.00 178.44 179.06 2grr h GLU 571 N 0.39 0.00 0.00 1.13 5.08 -0.77 -1.81 114.58 118.60 2grr h GLU 571 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2grr h GLU 571 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2grr h GLU 571 CO 0.10 0.07 0.00 0.77 -1.00 0.00 0.00 179.01 178.95 2grr h SER 572 N 0.00 0.00 -1.65 1.42 0.02 -1.20 -3.29 113.55 108.85 2grr h SER 572 Ca -0.00 0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.36 2grr h SER 572 Cb 0.36 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.48 2grr h SER 572 CO 0.01 0.00 -0.73 0.00 -1.14 0.00 0.00 176.83 174.97 2grr h SER 574 N 2.66 -0.16 0.26 0.00 4.64 -1.62 -0.42 113.55 118.91 2grr h SER 574 Ca 0.26 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 2grr h SER 574 Cb 0.85 0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 2grr h SER 574 CO 0.84 -0.07 -0.24 0.15 -0.87 0.00 0.00 176.83 176.64 2grr h PHE 575 N 0.17 -0.64 -0.64 4.77 3.57 -1.91 0.16 116.94 122.42 2grr h PHE 575 Ca 0.32 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.79 2grr h PHE 575 Cb 0.52 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.47 2grr h PHE 575 CO -0.31 -0.36 0.27 0.00 -2.23 0.00 0.00 178.31 175.68 2grr h ALA 576 N 0.13 1.27 -0.01 2.41 0.00 -1.87 -0.83 119.26 120.36 2grr h ALA 576 Ca -0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2grr h ALA 576 Cb 0.48 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2grr h ALA 576 CO -0.04 0.55 0.00 -0.09 0.00 0.00 0.00 179.25 179.67 2grr h ARG 577 N 0.92 0.02 -0.87 0.00 2.43 -0.75 -1.04 114.38 115.09 2grr h ARG 577 Ca 0.22 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.37 2grr h ARG 577 Cb 0.16 -0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 2grr h ARG 577 CO -0.02 0.26 0.48 0.45 -1.51 0.00 0.00 179.97 179.62 2grr h HIS 578 N -0.22 1.19 -0.02 2.20 3.86 -0.51 -1.52 115.15 120.11 2grr h HIS 578 Ca 0.00 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 2grr h HIS 578 Cb 0.25 -0.38 -0.00 0.00 1.06 0.00 0.00 27.41 28.34 2grr h HIS 578 CO 0.01 0.82 0.02 0.77 0.86 0.00 0.00 177.93 180.41 2grr h SER 579 N 1.21 0.03 -0.75 2.45 0.02 -1.02 -0.54 113.55 114.95 2grr h SER 579 Ca 0.31 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 2grr h SER 579 Cb 0.03 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 2grr h SER 579 CO -0.05 0.04 0.42 0.25 -1.14 0.00 0.00 176.83 176.36 2grr h LEU 580 N 0.01 0.93 -0.37 5.07 5.85 -0.97 -1.55 115.31 124.29 2grr h LEU 580 Ca 0.01 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 2grr h LEU 580 Cb 0.02 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.80 2grr h LEU 580 CO -0.00 0.75 0.10 -0.07 -0.34 0.00 0.00 178.44 178.88 2grr h LEU 581 N 1.04 0.55 -1.13 2.25 3.38 -1.07 0.66 115.31 120.98 2grr h LEU 581 Ca 0.27 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2grr h LEU 581 Cb 0.02 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 2grr h LEU 581 CO -0.04 0.62 0.60 1.56 0.09 0.00 0.00 178.44 181.26 2grr h GLN 582 N 0.44 1.04 -0.35 1.13 1.08 -0.86 -1.02 115.11 116.56 2grr h GLN 582 Ca 0.12 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.15 2grr h GLN 582 Cb 0.28 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 2grr h GLN 582 CO -0.00 0.69 -0.18 1.15 -0.95 0.00 0.00 178.83 179.53 2grr h THR 583 N 1.07 1.29 -0.19 -0.54 2.02 -0.78 -2.99 112.91 112.79 2grr h THR 583 Ca 0.39 -1.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.24 2grr h THR 583 Cb 0.15 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 2grr h THR 583 CO -0.14 0.43 0.06 -0.07 0.37 0.00 0.00 175.52 176.17 2grr h LEU 584 N 0.53 0.23 -2.14 2.58 3.38 -0.04 -0.82 115.31 119.04 2grr h LEU 584 Ca 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2grr h LEU 584 Cb 0.73 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 2grr h LEU 584 CO 0.05 0.23 -0.07 1.88 0.09 0.00 0.00 178.44 180.63 2grr h TYR 585 N 0.26 0.00 0.00 1.13 0.99 -1.06 -2.41 116.97 115.88 2grr h TYR 585 Ca 0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.80 2grr h TYR 585 Cb 0.08 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.81 2grr h TYR 585 CO 0.00 0.07 -0.56 1.63 -0.00 0.00 0.00 178.16 179.30 2grr n LYS 586 N -3.82 0.07 0.00 4.88 5.02 -0.32 -5.13 118.16 118.85 2grr n LYS 586 Ca -0.02 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2grr n LYS 586 Cb 0.16 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.64 2grr n LYS 586 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16