#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q6m h SER 424 N 0.00 0.25 -2.77 1.61 0.87 -2.05 -3.35 113.55 108.11 2q6m h SER 424 Ca 0.00 -0.35 -0.63 0.00 -1.23 0.00 0.00 61.79 59.58 2q6m h SER 424 Cb 0.00 -0.07 -0.15 0.00 -0.44 0.00 0.00 62.40 61.75 2q6m h SER 424 CO 0.00 0.54 0.50 -1.00 -0.53 0.00 0.00 176.83 176.34 2q6m s HIS 425 N -4.82 2.72 -0.23 2.24 0.09 -1.26 -4.95 115.29 109.08 2q6m s HIS 425 Ca -0.14 -0.50 -0.08 0.00 -0.00 0.00 0.00 55.06 54.34 2q6m s HIS 425 Cb 0.05 -4.22 0.10 0.00 -0.00 0.00 0.00 32.58 28.52 2q6m s HIS 425 CO 0.72 -1.57 0.51 1.41 -0.00 0.00 0.00 174.74 175.81 2q6m s MET 426 N 3.92 0.43 0.46 1.40 -2.45 -1.26 -5.13 119.30 116.66 2q6m s MET 426 Ca 0.22 1.17 -0.25 0.00 -1.25 0.00 0.00 55.69 55.59 2q6m s MET 426 Cb -0.17 0.49 -0.08 0.00 1.25 0.00 0.00 34.83 36.33 2q6m s MET 426 CO 0.11 -0.23 1.39 0.00 1.05 0.00 0.00 175.02 177.35 2q6m s ALA 427 N 2.61 3.19 -0.20 4.11 0.00 -1.25 -4.79 121.76 125.43 2q6m s ALA 427 Ca -0.04 1.40 -0.02 0.00 0.00 0.00 0.00 51.96 53.30 2q6m s ALA 427 Cb -0.12 -3.57 -0.00 0.00 0.00 0.00 0.00 23.12 19.44 2q6m s ALA 427 CO -0.15 -1.15 -0.10 0.08 0.00 0.00 0.00 175.76 174.44 2q6m s VAL 428 N -1.23 2.94 -0.19 0.00 1.01 -0.25 -4.97 120.40 117.70 2q6m s VAL 428 Ca 0.62 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 2q6m s VAL 428 Cb -0.42 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 2q6m s VAL 428 CO 0.54 0.47 0.60 -0.63 0.00 0.00 0.00 175.10 176.08 2q6m s ILE 429 N 1.27 5.05 0.41 2.22 1.01 -1.26 0.01 121.20 129.91 2q6m s ILE 429 Ca 0.03 1.13 0.05 0.00 0.00 0.00 0.00 60.65 61.87 2q6m s ILE 429 Cb -0.14 -3.92 -0.06 0.00 0.01 0.00 0.00 42.46 38.35 2q6m s ILE 429 CO -0.05 0.14 0.02 0.42 0.00 0.00 0.00 174.94 175.47 2q6m s THR 430 N 1.76 1.66 0.62 2.92 -4.23 0.12 -4.98 115.64 113.51 2q6m s THR 430 Ca 0.28 -2.00 0.36 0.00 -1.18 0.00 0.00 61.69 59.14 2q6m s THR 430 Cb -0.16 -2.81 0.39 0.00 1.34 0.00 0.00 72.50 71.27 2q6m s THR 430 CO 0.10 0.00 2.27 -0.65 -0.54 0.00 0.00 174.62 175.81 2q6m h PRO 431 N 1.77 0.00 -0.75 3.99 0.11 -1.95 0.34 132.00 135.51 2q6m h PRO 431 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2q6m h PRO 431 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2q6m h PRO 431 CO 0.77 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.60 2q6m n GLN 432 N -3.50 2.97 0.00 1.05 3.00 -1.26 -0.48 117.38 119.15 2q6m n GLN 432 Ca -0.02 -1.63 0.00 0.00 -0.01 0.00 0.00 57.00 55.33 2q6m n GLN 432 Cb 0.11 -1.86 0.00 0.00 0.00 0.00 0.00 30.24 28.49 2q6m n GLN 432 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2q6m n GLY 433 N 0.38 -0.94 3.74 1.08 0.00 0.12 -4.61 105.19 104.97 2q6m n GLY 433 Ca 0.14 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 2q6m n GLY 433 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2q6m s VAL 434 N 0.00 4.43 0.31 1.61 1.01 -1.26 -0.71 120.40 125.79 2q6m s VAL 434 Ca 0.00 2.01 0.03 0.00 0.00 0.00 0.00 61.98 64.03 2q6m s VAL 434 Cb 0.00 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.02 2q6m s VAL 434 CO 0.00 0.37 0.06 0.42 0.00 0.00 0.00 175.10 175.95 2q6m s THR 435 N -0.31 1.08 -1.27 3.92 -4.23 0.10 -4.90 115.64 110.03 2q6m s THR 435 Ca 0.44 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.93 2q6m s THR 435 Cb -0.24 -2.77 0.01 0.00 1.34 0.00 0.00 72.50 70.84 2q6m s THR 435 CO 0.29 -0.00 0.97 0.59 -0.54 0.00 0.00 174.62 175.93 2q6m n ASN 436 N -0.65 -2.76 -3.23 3.99 4.13 -1.26 -1.09 115.26 114.39 2q6m n ASN 436 Ca -0.02 -0.66 -0.03 0.00 1.68 0.00 0.00 54.58 55.56 2q6m n ASN 436 Cb 0.67 -4.83 -0.03 0.00 -1.54 0.00 0.00 39.78 34.05 2q6m n ASN 436 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 2q6m s TRP 437 N -3.41 -1.42 0.44 3.10 -0.00 -1.26 -3.93 118.94 112.45 2q6m s TRP 437 Ca 0.14 0.52 0.02 0.00 -0.00 0.00 0.00 56.10 56.79 2q6m s TRP 437 Cb -0.06 0.09 0.00 0.00 -0.00 0.00 0.00 33.47 33.50 2q6m s TRP 437 CO 0.75 -1.06 0.63 0.95 -0.00 0.00 0.00 176.95 178.22 2q6m s THR 438 N 2.45 3.77 0.30 5.86 -4.23 -1.26 -4.87 115.64 117.66 2q6m s THR 438 Ca 0.11 -0.67 0.00 0.00 -1.18 0.00 0.00 61.69 59.96 2q6m s THR 438 Cb -0.10 -3.37 0.28 0.00 1.34 0.00 0.00 72.50 70.65 2q6m s THR 438 CO -0.22 -0.22 1.92 0.22 -0.54 0.00 0.00 174.62 175.77 2q6m h TYR 439 N 0.48 1.04 -0.90 3.99 3.20 -1.99 -1.09 116.97 121.70 2q6m h TYR 439 Ca -0.45 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.44 2q6m h TYR 439 Cb 1.26 -0.34 -0.04 0.00 1.54 0.00 0.00 36.73 39.15 2q6m h TYR 439 CO 0.43 0.56 0.55 0.37 -1.64 0.00 0.00 178.16 178.43 2q6m h GLN 440 N 1.04 1.22 -0.25 1.82 4.15 -1.99 0.25 115.11 121.34 2q6m h GLN 440 Ca 0.37 -0.11 -0.03 0.00 0.77 0.00 0.00 58.65 59.66 2q6m h GLN 440 Cb 0.15 -0.26 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 2q6m h GLN 440 CO -0.13 0.85 0.05 0.93 -1.93 0.00 0.00 178.83 178.60 2q6m h GLU 441 N 1.24 0.42 -0.41 1.69 5.08 -1.77 -2.24 114.58 118.59 2q6m h GLU 441 Ca 0.33 -0.11 0.01 0.00 -1.00 0.00 0.00 59.36 58.59 2q6m h GLU 441 Cb -0.06 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.11 2q6m h GLU 441 CO -0.06 0.53 0.25 1.25 -1.00 0.00 0.00 179.01 179.98 2q6m h LEU 442 N 0.23 0.42 -0.91 1.33 5.85 -0.71 -2.11 115.31 119.41 2q6m h LEU 442 Ca 0.08 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.85 2q6m h LEU 442 Cb 0.32 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 2q6m h LEU 442 CO 0.00 0.30 0.58 -0.08 -0.34 0.00 0.00 178.44 178.90 2q6m h GLU 443 N 0.51 1.04 -0.51 1.25 4.22 -0.40 0.14 114.58 120.84 2q6m h GLU 443 Ca 0.16 -0.06 -0.10 0.00 0.08 0.00 0.00 59.36 59.44 2q6m h GLU 443 Cb -0.01 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 28.98 2q6m h GLU 443 CO -0.06 0.69 -0.07 0.00 -2.18 0.00 0.00 179.01 177.39 2q6m h ALA 444 N 1.41 0.92 -0.31 2.92 0.00 -1.19 -0.87 119.26 122.13 2q6m h ALA 444 Ca 0.38 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2q6m h ALA 444 Cb 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2q6m h ALA 444 CO -0.15 0.63 -0.01 1.15 0.00 0.00 0.00 179.25 180.87 2q6m h THR 445 N 0.82 1.26 -0.63 0.00 2.02 -0.67 -1.53 112.91 114.17 2q6m h THR 445 Ca 0.14 -0.96 0.08 0.00 0.77 0.00 0.00 66.41 66.44 2q6m h THR 445 Cb 0.59 1.28 -0.06 0.00 -1.74 0.00 0.00 68.15 68.21 2q6m h THR 445 CO 0.04 0.31 0.30 -0.74 0.37 0.00 0.00 175.52 175.80 2q6m h HIS 446 N 0.34 0.54 -0.38 3.16 6.17 -0.49 0.35 115.15 124.84 2q6m h HIS 446 Ca 0.09 0.03 -0.09 0.00 0.71 0.00 0.00 60.37 61.10 2q6m h HIS 446 Cb 0.45 -0.15 -0.02 0.00 2.52 0.00 0.00 27.41 30.21 2q6m h HIS 446 CO 0.04 0.21 -0.14 1.96 0.71 0.00 0.00 177.93 180.70 2q6m h GLN 447 N 0.54 0.69 -0.42 5.26 1.08 -0.96 0.13 115.11 121.44 2q6m h GLN 447 Ca 0.30 -0.23 -0.03 0.00 -1.45 0.00 0.00 58.65 57.24 2q6m h GLN 447 Cb 0.29 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.65 2q6m h GLN 447 CO -0.24 0.81 0.15 0.00 -0.95 0.00 0.00 178.83 178.60 2q6m h ALA 448 N 1.22 0.54 -0.74 3.87 0.00 -0.81 -0.87 119.26 122.47 2q6m h ALA 448 Ca 0.10 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 2q6m h ALA 448 Cb 0.60 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2q6m h ALA 448 CO 0.04 0.16 0.33 -0.07 0.00 0.00 0.00 179.25 179.72 2q6m h LEU 449 N 0.53 0.99 -0.57 0.00 3.38 -0.56 -2.49 115.31 116.59 2q6m h LEU 449 Ca 0.14 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2q6m h LEU 449 Cb 0.21 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2q6m h LEU 449 CO -0.01 0.87 0.37 0.74 0.09 0.00 0.00 178.44 180.50 2q6m h THR 450 N 1.05 1.15 -0.44 0.22 2.02 -0.69 -1.30 112.91 114.91 2q6m h THR 450 Ca 0.25 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2q6m h THR 450 Cb 0.16 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.87 2q6m h THR 450 CO -0.03 0.15 0.24 0.03 0.37 0.00 0.00 175.52 176.28 2q6m h ARG 451 N 0.77 0.61 -0.01 6.66 3.08 -0.94 -1.64 114.38 122.91 2q6m h ARG 451 Ca 0.21 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2q6m h ARG 451 Cb -0.07 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.85 2q6m h ARG 451 CO -0.04 0.45 0.00 0.39 -1.07 0.00 0.00 179.97 179.70 2q6m n GLU 452 N -4.42 1.07 -0.36 0.04 -0.58 -0.87 -4.91 120.64 110.63 2q6m n GLU 452 Ca 0.03 -0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.67 2q6m n GLU 452 Cb 0.10 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.59 2q6m n GLU 452 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2q6m n GLY 453 N 0.90 0.81 3.87 0.62 0.00 -0.62 -4.97 105.19 105.81 2q6m n GLY 453 Ca 0.18 -0.11 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2q6m n GLY 453 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q6m s TYR 454 N -2.00 3.43 -0.05 1.61 2.02 -0.55 -0.70 117.35 121.12 2q6m s TYR 454 Ca 0.00 0.95 0.02 0.00 -0.37 0.00 0.00 57.07 57.67 2q6m s TYR 454 Cb 0.00 -2.34 0.01 0.00 -0.40 0.00 0.00 41.96 39.24 2q6m s TYR 454 CO 0.00 0.12 -0.09 0.08 -1.57 0.00 0.00 175.55 174.09 2q6m s VAL 455 N -2.04 0.84 0.23 0.71 1.01 0.57 -4.18 120.40 117.54 2q6m s VAL 455 Ca 0.49 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 2q6m s VAL 455 Cb -0.11 -0.79 -0.10 0.00 0.00 0.00 0.00 36.38 35.38 2q6m s VAL 455 CO 0.24 0.28 1.45 0.12 0.00 0.00 0.00 175.10 177.20 2q6m s PHE 456 N 0.64 3.05 0.00 5.22 5.36 -1.26 -1.09 117.98 129.90 2q6m s PHE 456 Ca -0.11 0.98 0.00 0.00 -0.96 0.00 0.00 56.93 56.84 2q6m s PHE 456 Cb -0.14 -3.82 0.00 0.00 -0.34 0.00 0.00 43.02 38.73 2q6m s PHE 456 CO 0.02 -2.72 0.00 1.33 -1.46 0.00 0.00 175.22 172.39 2q6m n VAL 457 N 2.67 0.00 0.00 3.12 0.24 -0.08 -4.16 118.33 120.12 2q6m n VAL 457 Ca 0.08 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 2q6m n VAL 457 Cb 0.40 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 2q6m n VAL 457 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2q6m n GLY 458 N 1.02 1.75 3.86 7.63 0.00 -1.22 -4.50 105.19 113.73 2q6m n GLY 458 Ca 0.00 -1.33 -0.35 0.00 0.00 0.00 0.00 46.02 44.35 2q6m n GLY 458 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q6m s TYR 459 N -1.94 3.58 -0.16 1.61 2.02 0.16 -0.90 117.35 121.71 2q6m s TYR 459 Ca 0.00 0.91 0.00 0.00 -0.37 0.00 0.00 57.07 57.61 2q6m s TYR 459 Cb 0.00 -2.25 0.03 0.00 -0.40 0.00 0.00 41.96 39.34 2q6m s TYR 459 CO 0.00 0.46 -0.10 -1.58 -1.57 0.00 0.00 175.55 172.76 2q6m s HIS 460 N -1.46 2.03 -0.07 2.71 5.65 0.24 -0.79 115.29 123.59 2q6m s HIS 460 Ca 0.36 -1.24 -0.10 0.00 0.25 0.00 0.00 55.06 54.34 2q6m s HIS 460 Cb -0.14 -1.49 -0.05 0.00 -1.18 0.00 0.00 32.58 29.72 2q6m s HIS 460 CO 0.19 -0.66 0.24 0.20 -0.65 0.00 0.00 174.74 174.06 2q6m s GLY 461 N 1.53 2.28 0.38 1.59 0.00 -1.24 -0.55 107.32 111.31 2q6m s GLY 461 Ca 0.02 -0.48 -0.16 0.00 0.00 0.00 0.00 44.72 44.10 2q6m s GLY 461 CO -0.09 -0.19 0.81 -1.08 0.00 0.00 0.00 173.10 172.56 2q6m s THR 462 N -1.05 0.00 0.80 0.90 -1.32 -0.70 -4.24 115.64 110.02 2q6m s THR 462 Ca 0.18 -0.97 -0.11 0.00 -1.21 0.00 0.00 61.69 59.58 2q6m s THR 462 Cb -0.14 -2.95 0.07 0.00 -1.51 0.00 0.00 72.50 67.97 2q6m s THR 462 CO 0.08 0.00 1.09 0.54 -2.21 0.00 0.00 174.62 174.12 2q6m s ASN 463 N -3.11 4.41 0.39 8.08 2.20 -1.26 -0.71 114.94 124.94 2q6m s ASN 463 Ca 0.16 1.41 0.11 0.00 -0.94 0.00 0.00 52.86 53.60 2q6m s ASN 463 Cb -0.05 -2.15 0.79 0.00 -2.00 0.00 0.00 41.25 37.85 2q6m s ASN 463 CO 0.11 -2.03 1.89 1.12 -2.94 0.00 0.00 177.10 175.25 2q6m h HIS 464 N -1.13 0.13 0.17 1.54 2.07 -1.88 -0.66 115.15 115.40 2q6m h HIS 464 Ca -0.47 -0.02 -0.01 0.00 -2.85 0.00 0.00 60.37 57.02 2q6m h HIS 464 Cb 1.26 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 31.21 2q6m h HIS 464 CO 0.48 0.35 -0.08 0.28 -3.07 0.00 0.00 177.93 175.89 2q6m h VAL 465 N 0.12 0.94 -0.88 6.12 2.07 -1.93 -2.70 116.25 119.98 2q6m h VAL 465 Ca 0.02 -0.89 0.05 0.00 0.82 0.00 0.00 66.70 66.70 2q6m h VAL 465 Cb 0.46 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 2q6m h VAL 465 CO 0.03 0.19 0.58 0.00 0.02 0.00 0.00 177.57 178.39 2q6m h ALA 466 N -0.01 1.49 -0.77 1.67 0.00 -1.93 -2.55 119.26 117.16 2q6m h ALA 466 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2q6m h ALA 466 Cb 0.50 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2q6m h ALA 466 CO 0.04 0.40 0.49 0.00 0.00 0.00 0.00 179.25 180.18 2q6m h ALA 467 N 1.50 0.98 -0.71 0.00 0.00 -1.09 -1.62 119.26 118.32 2q6m h ALA 467 Ca 0.37 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 55.14 2q6m h ALA 467 Cb 0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 2q6m h ALA 467 CO -0.12 0.42 0.18 0.37 0.00 0.00 0.00 179.25 180.10 2q6m h GLN 468 N 1.05 1.14 -0.57 0.00 5.75 -1.12 -1.08 115.11 120.27 2q6m h GLN 468 Ca 0.28 -0.27 0.01 0.00 -0.15 0.00 0.00 58.65 58.52 2q6m h GLN 468 Cb -0.08 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.29 2q6m h GLN 468 CO -0.06 1.00 0.37 1.15 -2.65 0.00 0.00 178.83 178.64 2q6m h THR 469 N 1.08 1.11 -0.48 2.39 2.02 -1.22 -1.36 112.91 116.46 2q6m h THR 469 Ca 0.23 -0.25 -0.12 0.00 0.77 0.00 0.00 66.41 67.03 2q6m h THR 469 Cb 0.36 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 2q6m h THR 469 CO 0.00 0.13 -0.16 0.40 0.37 0.00 0.00 175.52 176.26 2q6m h ILE 470 N 0.74 1.27 -0.44 3.11 2.04 -0.95 -1.70 117.51 121.58 2q6m h ILE 470 Ca 0.22 -1.31 -0.04 0.00 1.00 0.00 0.00 64.86 64.72 2q6m h ILE 470 Cb -0.04 1.10 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2q6m h ILE 470 CO -0.07 0.45 0.11 0.58 0.00 0.00 0.00 178.15 179.23 2q6m h VAL 471 N 0.81 1.20 0.03 1.67 2.07 -1.02 -2.86 116.25 118.15 2q6m h VAL 471 Ca 0.12 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 2q6m h VAL 471 Cb 0.73 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 2q6m h VAL 471 CO 0.06 0.26 -0.02 0.78 0.02 0.00 0.00 177.57 178.67 2q6m h ASN 472 N 0.65 -0.04 -2.52 0.57 2.35 -0.73 -3.45 115.58 112.41 2q6m h ASN 472 Ca 0.15 -0.16 0.12 0.00 -0.55 0.00 0.00 56.30 55.86 2q6m h ASN 472 Cb 0.24 0.01 -0.27 0.00 0.05 0.00 0.00 38.32 38.35 2q6m h ASN 472 CO -0.00 0.14 0.40 -0.60 -1.65 0.00 0.00 177.43 175.71 2q6m s ARG 473 N -5.52 0.37 -0.04 0.81 3.52 -0.69 -5.11 118.95 112.28 2q6m s ARG 473 Ca -0.14 0.63 -0.30 0.00 -0.13 0.00 0.00 55.73 55.79 2q6m s ARG 473 Cb 0.04 0.07 -0.03 0.00 -1.56 0.00 0.00 34.95 33.48 2q6m s ARG 473 CO 0.66 -0.08 1.11 0.42 -0.81 0.00 0.00 175.30 176.60 2q6m s ILE 474 N 1.32 4.47 -0.06 4.11 1.01 -1.21 -4.30 121.20 126.53 2q6m s ILE 474 Ca -0.09 1.77 -0.18 0.00 0.00 0.00 0.00 60.65 62.15 2q6m s ILE 474 Cb -0.04 -4.14 0.04 0.00 0.01 0.00 0.00 42.46 38.33 2q6m s ILE 474 CO -0.15 0.04 0.42 0.00 0.00 0.00 0.00 174.94 175.26 2q6m s ALA 475 N 1.80 -1.08 0.35 9.38 0.00 -1.26 -4.48 121.76 126.48 2q6m s ALA 475 Ca 0.53 0.78 -0.29 0.00 0.00 0.00 0.00 51.96 52.99 2q6m s ALA 475 Cb -0.23 -0.15 -0.11 0.00 0.00 0.00 0.00 23.12 22.63 2q6m s ALA 475 CO 0.23 -0.27 1.50 -2.14 0.00 0.00 0.00 175.76 175.08 2q6m s PRO 476 N -0.90 4.12 0.00 0.00 0.02 -1.26 -5.08 135.00 131.91 2q6m s PRO 476 Ca -0.10 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.48 2q6m s PRO 476 Cb -0.04 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.50 2q6m s PRO 476 CO 0.05 -0.54 0.00 1.33 -0.33 0.00 0.00 177.00 177.50 2q6m n VAL 477 N 0.92 0.00 0.00 3.83 0.24 -1.26 -5.23 118.33 116.83 2q6m n VAL 477 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 2q6m n VAL 477 Cb 0.39 -0.11 0.00 0.00 -1.47 0.00 0.00 33.84 32.65 2q6m n VAL 477 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2q6m n THR 483 N 0.00 0.00 -0.29 3.34 -2.24 -1.26 -5.28 114.28 108.55 2q6m n THR 483 Ca 0.00 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.81 2q6m n THR 483 Cb 0.00 0.00 0.24 0.00 -2.10 0.00 0.00 70.33 68.47 2q6m n THR 483 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2q6m h GLU 484 N 0.00 1.01 -0.44 -0.78 3.07 -2.06 -2.06 114.58 113.32 2q6m h GLU 484 Ca 0.00 -0.06 -0.13 0.00 -0.50 0.00 0.00 59.36 58.67 2q6m h GLU 484 Cb 0.00 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.67 2q6m h GLU 484 CO 0.00 0.67 -0.23 -0.97 -1.40 0.00 0.00 179.01 177.08 2q6m h ASN 485 N 1.04 0.96 -0.10 1.42 -0.73 -2.04 -2.36 115.58 113.79 2q6m h ASN 485 Ca 0.37 -0.41 0.03 0.00 1.87 0.00 0.00 56.30 58.16 2q6m h ASN 485 Cb 0.13 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.45 2q6m h ASN 485 CO -0.13 1.16 0.07 -0.33 -0.37 0.00 0.00 177.43 177.83 2q6m h GLU 486 N 0.76 0.00 -0.09 6.67 5.08 -1.80 -1.30 114.58 123.90 2q6m h GLU 486 Ca 0.10 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.36 2q6m h GLU 486 Cb 0.81 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2q6m h GLU 486 CO 0.07 0.00 -0.33 0.93 -1.00 0.00 0.00 179.01 178.68 2q6m h GLU 487 N 0.00 0.39 -0.99 2.33 4.39 -1.11 -2.29 114.58 117.29 2q6m h GLU 487 Ca 0.05 -0.29 0.08 0.00 0.34 0.00 0.00 59.36 59.53 2q6m h GLU 487 Cb 0.19 0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.82 2q6m h GLU 487 CO -0.00 0.92 0.64 -0.22 -1.16 0.00 0.00 179.01 179.19 2q6m h LYS 488 N -0.06 1.08 -0.76 2.33 3.64 -0.95 -1.57 116.57 120.28 2q6m h LYS 488 Ca -0.01 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.16 2q6m h LYS 488 Cb 0.96 -0.24 -0.08 0.00 -0.41 0.00 0.00 32.23 32.45 2q6m h LYS 488 CO 0.07 0.72 0.18 0.91 -2.27 0.00 0.00 179.45 179.05 2q6m n TRP 489 N -4.52 2.05 -2.25 1.91 7.02 -0.53 -3.83 117.44 117.29 2q6m n TRP 489 Ca 0.16 -0.95 -0.37 0.00 -1.02 0.00 0.00 57.50 55.32 2q6m n TRP 489 Cb 0.23 -0.58 -0.01 0.00 -2.42 0.00 0.00 31.31 28.53 2q6m n TRP 489 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 2q6m s GLY 490 N -0.76 2.78 0.00 6.99 0.00 -0.59 -4.96 107.32 110.79 2q6m s GLY 490 Ca 0.47 0.94 0.00 0.00 0.00 0.00 0.00 44.72 46.13 2q6m s GLY 490 CO 0.12 1.40 0.00 0.61 0.00 0.00 0.00 173.10 175.23 2q6m n GLY 491 N 0.45 -2.16 3.64 0.20 0.00 -1.26 -4.52 105.19 101.53 2q6m n GLY 491 Ca 0.07 -1.29 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 2q6m n GLY 491 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2q6m s LEU 492 N 0.00 4.09 -0.11 0.99 2.96 0.04 -4.84 118.68 121.81 2q6m s LEU 492 Ca 0.00 0.63 -0.14 0.00 -0.22 0.00 0.00 54.13 54.39 2q6m s LEU 492 Cb 0.00 -2.72 -0.05 0.00 0.50 0.00 0.00 46.19 43.92 2q6m s LEU 492 CO 0.00 -0.26 0.34 -0.31 -1.32 0.00 0.00 176.35 174.80 2q6m s TYR 493 N 2.08 3.55 0.20 5.38 1.51 -1.26 -0.61 117.35 128.20 2q6m s TYR 493 Ca 0.23 0.74 0.02 0.00 -1.01 0.00 0.00 57.07 57.06 2q6m s TYR 493 Cb -0.16 -2.33 -0.05 0.00 -0.11 0.00 0.00 41.96 39.32 2q6m s TYR 493 CO 0.09 0.38 0.02 0.14 -1.11 0.00 0.00 175.55 175.06 2q6m s VAL 494 N -0.04 0.73 -0.02 0.71 -7.23 -0.12 -4.64 120.40 109.79 2q6m s VAL 494 Ca 0.20 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.36 2q6m s VAL 494 Cb -0.14 -2.26 0.01 0.00 0.56 0.00 0.00 36.38 34.55 2q6m s VAL 494 CO 0.07 -0.36 0.04 0.00 -0.31 0.00 0.00 175.10 174.55 2q6m s ALA 495 N -3.63 -0.08 -0.10 1.32 0.00 0.03 -0.54 121.76 118.75 2q6m s ALA 495 Ca 0.27 0.16 0.20 0.00 0.00 0.00 0.00 51.96 52.60 2q6m s ALA 495 Cb 0.06 -0.11 0.45 0.00 0.00 0.00 0.00 23.12 23.52 2q6m s ALA 495 CO 0.07 -0.04 1.62 1.79 0.00 0.00 0.00 175.76 179.20 2q6m h THR 496 N 5.29 0.57 -3.57 0.00 1.35 -1.81 0.48 112.91 115.22 2q6m h THR 496 Ca -0.28 -1.57 -0.63 0.00 -0.55 0.00 0.00 66.41 63.38 2q6m h THR 496 Cb 1.19 2.09 -0.14 0.00 -1.73 0.00 0.00 68.15 69.57 2q6m h THR 496 CO 0.48 0.29 0.18 -2.28 -0.25 0.00 0.00 175.52 173.94 2q6m s HIS 497 N -3.26 3.12 0.41 4.73 5.65 -1.26 -4.83 115.29 119.85 2q6m s HIS 497 Ca 0.03 0.27 0.12 0.00 0.25 0.00 0.00 55.06 55.73 2q6m s HIS 497 Cb 0.08 -3.25 0.96 0.00 -1.18 0.00 0.00 32.58 29.19 2q6m s HIS 497 CO 0.69 -0.72 1.96 0.00 -0.65 0.00 0.00 174.74 176.02 2q6m h ALA 498 N 8.59 1.95 -0.15 1.58 0.00 -1.98 -1.21 119.26 128.05 2q6m h ALA 498 Ca -0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2q6m h ALA 498 Cb 1.10 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 2q6m h ALA 498 CO 0.86 -0.10 0.06 1.49 0.00 0.00 0.00 179.25 181.57 2q6m h GLU 499 N 0.50 0.21 -0.11 0.00 4.57 -1.95 0.24 114.58 118.04 2q6m h GLU 499 Ca 0.31 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.47 2q6m h GLU 499 Cb 0.55 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.09 2q6m h GLU 499 CO -0.10 0.18 0.07 0.28 -1.18 0.00 0.00 179.01 178.25 2q6m h VAL 500 N 0.21 1.07 -0.50 0.32 2.07 -1.60 -2.32 116.25 115.49 2q6m h VAL 500 Ca 0.06 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 2q6m h VAL 500 Cb 0.04 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2q6m h VAL 500 CO -0.01 0.06 0.05 0.00 0.02 0.00 0.00 177.57 177.69 2q6m h ALA 501 N 0.99 1.15 0.00 1.67 0.00 -1.39 -2.77 119.26 118.91 2q6m h ALA 501 Ca 0.04 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 2q6m h ALA 501 Cb 0.04 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2q6m h ALA 501 CO -0.01 0.56 -0.14 1.25 0.00 0.00 0.00 179.25 180.92 2q6m h HIS 502 N 0.76 0.00 -0.09 0.00 6.17 -0.65 -0.97 115.15 120.38 2q6m h HIS 502 Ca 0.16 0.00 0.02 0.00 0.71 0.00 0.00 60.37 61.26 2q6m h HIS 502 Cb 0.39 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.31 2q6m h HIS 502 CO 0.02 0.14 0.09 0.78 0.71 0.00 0.00 177.93 179.67 2q6m h GLY 503 N 0.45 0.00 -1.44 5.26 0.00 -1.12 -2.07 103.07 104.14 2q6m h GLY 503 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2q6m h GLY 503 CO 0.02 0.00 -0.23 -1.72 0.00 0.00 0.00 176.54 174.61 2q6m n TYR 504 N -3.92 0.00 -2.03 5.60 4.01 -0.39 -4.74 117.16 115.70 2q6m n TYR 504 Ca -0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.32 2q6m n TYR 504 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.22 2q6m n TYR 504 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2q6m n ALA 505 N 0.66 6.40 -3.53 -0.72 0.00 -0.78 -3.52 120.51 119.02 2q6m n ALA 505 Ca 0.11 -4.10 -0.12 0.00 0.00 0.00 0.00 53.44 49.34 2q6m n ALA 505 Cb 0.53 -2.92 -0.04 0.00 0.00 0.00 0.00 19.45 17.02 2q6m n ALA 505 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2q6m s ARG 506 N -0.23 0.81 0.28 0.00 1.70 -1.23 -0.55 118.95 119.73 2q6m s ARG 506 Ca 0.51 0.01 -0.29 0.00 -0.47 0.00 0.00 55.73 55.48 2q6m s ARG 506 Cb 0.16 0.38 -0.10 0.00 -0.57 0.00 0.00 34.95 34.82 2q6m s ARG 506 CO -0.06 -0.29 1.30 0.42 -1.08 0.00 0.00 175.30 175.59 2q6m s ILE 507 N -1.87 2.91 -0.28 4.99 1.01 -1.26 -4.26 121.20 122.45 2q6m s ILE 507 Ca -0.02 0.85 0.04 0.00 0.00 0.00 0.00 60.65 61.52 2q6m s ILE 507 Cb -0.01 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.90 2q6m s ILE 507 CO -0.00 0.18 0.30 2.29 0.00 0.00 0.00 174.94 177.70 2q6m n LYS 508 N 1.50 3.90 -4.09 2.79 2.85 -1.26 -3.98 118.16 119.87 2q6m n LYS 508 Ca 0.02 -0.23 -0.17 0.00 -1.05 0.00 0.00 58.31 56.89 2q6m n LYS 508 Cb 0.42 -0.80 -0.15 0.00 -0.65 0.00 0.00 35.03 33.85 2q6m n LYS 508 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2q6m s GLU 509 N -1.05 0.48 0.40 -1.58 2.02 -1.26 -5.11 118.70 112.60 2q6m s GLU 509 Ca 0.02 -0.09 -0.13 0.00 0.02 0.00 0.00 54.97 54.79 2q6m s GLU 509 Cb 0.03 -0.53 -0.08 0.00 0.10 0.00 0.00 34.13 33.66 2q6m s GLU 509 CO 0.12 -0.01 0.80 0.20 0.02 0.00 0.00 175.26 176.39 2q6m s GLY 510 N 0.47 2.11 0.00 -1.39 0.00 -1.26 -4.97 107.32 102.28 2q6m s GLY 510 Ca -0.05 -0.03 0.08 0.00 0.00 0.00 0.00 44.72 44.72 2q6m s GLY 510 CO -0.00 0.18 1.18 -1.30 0.00 0.00 0.00 173.10 173.16 2q6m n THR 511 N -1.01 0.99 -1.31 0.90 -2.24 -1.21 -4.58 114.28 105.82 2q6m n THR 511 Ca 0.04 -0.99 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 2q6m n THR 511 Cb 0.54 0.51 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 2q6m n THR 511 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2q6m n GLY 512 N 0.26 -0.55 3.77 3.38 0.00 0.50 -4.93 105.19 107.62 2q6m n GLY 512 Ca 0.09 -1.75 -0.40 0.00 0.00 0.00 0.00 46.02 43.95 2q6m n GLY 512 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2q6m s GLU 513 N -2.62 4.30 -1.97 1.61 -1.05 -1.26 -2.72 118.70 114.99 2q6m s GLU 513 Ca 0.00 2.07 0.00 0.00 -0.15 0.00 0.00 54.97 56.89 2q6m s GLU 513 Cb 0.00 -2.97 0.00 0.00 -0.44 0.00 0.00 34.13 30.72 2q6m s GLU 513 CO 0.00 -0.19 0.00 0.66 0.95 0.00 0.00 175.26 176.68 2q6m n TYR 514 N 0.64 -0.35 -1.40 4.83 4.01 -1.26 -1.43 117.16 122.20 2q6m n TYR 514 Ca 0.01 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.73 2q6m n TYR 514 Cb 0.43 -3.53 -0.01 0.00 -0.31 0.00 0.00 39.34 35.93 2q6m n TYR 514 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2q6m n GLY 515 N -0.71 0.45 3.78 2.72 0.00 -1.10 -5.03 105.19 105.30 2q6m n GLY 515 Ca -0.21 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 2q6m n GLY 515 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2q6m s LEU 516 N -0.53 4.42 0.50 0.99 1.43 -0.51 -4.17 118.68 120.82 2q6m s LEU 516 Ca 0.00 1.73 -0.21 0.00 -1.03 0.00 0.00 54.13 54.62 2q6m s LEU 516 Cb 0.00 -3.76 -0.07 0.00 0.03 0.00 0.00 46.19 42.40 2q6m s LEU 516 CO 0.00 0.03 1.14 -2.16 0.23 0.00 0.00 176.35 175.59 2q6m s PRO 517 N -1.78 3.55 0.98 1.29 0.04 -1.26 -0.37 135.00 137.45 2q6m s PRO 517 Ca 0.45 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 63.04 2q6m s PRO 517 Cb -0.20 -2.19 0.18 0.00 0.04 0.00 0.00 34.50 32.33 2q6m s PRO 517 CO 0.25 -0.70 1.14 0.95 0.04 0.00 0.00 177.00 178.68 2q6m s THR 518 N -1.67 1.93 0.19 1.26 -4.23 -1.26 -4.72 115.64 107.14 2q6m s THR 518 Ca 0.68 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 61.08 2q6m s THR 518 Cb -0.26 -2.69 0.12 0.00 1.34 0.00 0.00 72.50 71.02 2q6m s THR 518 CO 0.30 0.00 1.82 -0.09 -0.54 0.00 0.00 174.62 176.11 2q6m h ARG 519 N -1.77 0.95 -0.38 3.99 9.65 -1.99 -0.74 114.38 124.09 2q6m h ARG 519 Ca -0.50 -0.10 -0.06 0.00 -1.10 0.00 0.00 59.98 58.22 2q6m h ARG 519 Cb 1.32 -0.19 -0.02 0.00 -1.39 0.00 0.00 29.97 29.69 2q6m h ARG 519 CO 0.54 0.70 -0.01 0.00 2.80 0.00 0.00 179.97 183.99 2q6m h ALA 520 N 1.20 1.28 -0.68 2.80 0.00 -1.98 -0.89 119.26 121.00 2q6m h ALA 520 Ca 0.24 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2q6m h ALA 520 Cb 0.01 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 2q6m h ALA 520 CO -0.04 0.48 0.24 0.93 0.00 0.00 0.00 179.25 180.86 2q6m h GLU 521 N 0.57 1.04 -0.21 0.00 5.08 -1.73 -1.77 114.58 117.56 2q6m h GLU 521 Ca 0.12 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 2q6m h GLU 521 Cb 0.38 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 2q6m h GLU 521 CO 0.01 0.88 -0.35 0.00 -1.00 0.00 0.00 179.01 178.56 2q6m h ARG 522 N 0.98 0.45 0.00 2.33 3.08 -0.71 -2.93 114.38 117.58 2q6m h ARG 522 Ca 0.22 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 2q6m h ARG 522 Cb 0.25 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 2q6m h ARG 522 CO -0.01 0.74 -0.02 -0.44 -1.07 0.00 0.00 179.97 179.17 2q6m h ASP 523 N 0.38 0.00 -4.16 7.04 3.32 -1.09 -3.44 116.42 118.47 2q6m h ASP 523 Ca 0.04 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.57 2q6m h ASP 523 Cb 0.79 0.00 0.13 0.00 0.22 0.00 0.00 39.33 40.47 2q6m h ASP 523 CO 0.06 0.02 0.40 0.00 -1.72 0.00 0.00 179.24 178.01 2q6m s ALA 524 N -3.39 2.32 0.03 3.45 0.00 -0.67 -4.66 121.76 118.84 2q6m s ALA 524 Ca 0.05 0.81 0.06 0.00 0.00 0.00 0.00 51.96 52.87 2q6m s ALA 524 Cb 0.07 -3.42 -0.02 0.00 0.00 0.00 0.00 23.12 19.75 2q6m s ALA 524 CO 0.62 -1.53 -0.17 1.03 0.00 0.00 0.00 175.76 175.72 2q6m s ARG 525 N -3.83 1.17 0.25 0.00 1.81 0.37 -4.57 118.95 114.14 2q6m s ARG 525 Ca 0.73 -0.80 -0.04 0.00 -1.72 0.00 0.00 55.73 53.90 2q6m s ARG 525 Cb -0.27 -1.21 0.06 0.00 -0.45 0.00 0.00 34.95 33.08 2q6m s ARG 525 CO 0.41 0.31 0.31 0.41 -0.68 0.00 0.00 175.30 176.06 2q6m n GLY 526 N 2.00 -1.44 3.01 -3.53 0.00 -0.17 -3.68 105.19 101.39 2q6m n GLY 526 Ca -0.17 -1.64 -0.21 0.00 0.00 0.00 0.00 46.02 44.00 2q6m n GLY 526 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2q6m s VAL 527 N -1.67 0.82 -0.22 1.61 1.01 0.11 -3.56 120.40 118.50 2q6m s VAL 527 Ca 0.18 -0.39 -0.14 0.00 0.00 0.00 0.00 61.98 61.63 2q6m s VAL 527 Cb -0.01 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.61 2q6m s VAL 527 CO 0.13 0.25 0.32 -0.04 0.00 0.00 0.00 175.10 175.76 2q6m s MET 528 N 0.12 4.12 0.11 2.72 -1.94 -1.26 -1.72 119.30 121.45 2q6m s MET 528 Ca -0.02 0.03 0.06 0.00 -1.71 0.00 0.00 55.69 54.05 2q6m s MET 528 Cb -0.08 -3.55 -0.04 0.00 2.01 0.00 0.00 34.83 33.17 2q6m s MET 528 CO 0.00 -0.04 -0.02 -0.51 -0.01 0.00 0.00 175.02 174.45 2q6m s LEU 529 N 1.33 3.35 -0.17 -0.03 1.43 0.29 -0.75 118.68 124.12 2q6m s LEU 529 Ca 0.15 -0.27 -0.05 0.00 -1.03 0.00 0.00 54.13 52.93 2q6m s LEU 529 Cb -0.14 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 2q6m s LEU 529 CO 0.07 0.16 0.01 -0.13 0.23 0.00 0.00 176.35 176.68 2q6m s ARG 530 N -2.43 3.78 -0.13 1.70 0.52 0.91 -0.59 118.95 122.70 2q6m s ARG 530 Ca 0.25 -0.45 -0.01 0.00 -0.52 0.00 0.00 55.73 55.00 2q6m s ARG 530 Cb -0.11 -3.06 -0.02 0.00 0.52 0.00 0.00 34.95 32.28 2q6m s ARG 530 CO 0.17 0.21 -0.08 0.08 0.02 0.00 0.00 175.30 175.70 2q6m s VAL 531 N 0.48 3.50 0.02 3.52 1.01 -0.08 -1.28 120.40 127.57 2q6m s VAL 531 Ca -0.01 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.55 2q6m s VAL 531 Cb -0.14 -2.49 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 2q6m s VAL 531 CO 0.02 0.52 -0.24 -0.31 0.00 0.00 0.00 175.10 175.09 2q6m s TYR 532 N 0.19 2.10 0.23 5.22 2.02 0.06 -0.90 117.35 126.27 2q6m s TYR 532 Ca -0.05 -0.40 0.12 0.00 -0.37 0.00 0.00 57.07 56.37 2q6m s TYR 532 Cb -0.14 -1.29 -0.05 0.00 -0.40 0.00 0.00 41.96 40.08 2q6m s TYR 532 CO 0.04 0.06 -0.22 0.96 -1.57 0.00 0.00 175.55 174.82 2q6m s ILE 533 N -0.72 2.38 0.44 2.71 -4.36 -0.25 -0.90 121.20 120.51 2q6m s ILE 533 Ca 0.10 -2.21 -0.25 0.00 -0.26 0.00 0.00 60.65 58.03 2q6m s ILE 533 Cb -0.09 -2.20 -0.08 0.00 1.25 0.00 0.00 42.46 41.34 2q6m s ILE 533 CO 0.01 -0.26 1.34 -2.84 0.24 0.00 0.00 174.94 173.43 2q6m s PRO 534 N -3.08 3.76 0.42 0.37 0.02 -1.26 -0.32 135.00 134.90 2q6m s PRO 534 Ca 0.25 2.23 0.12 0.00 0.02 0.00 0.00 61.00 63.62 2q6m s PRO 534 Cb -0.06 -2.64 0.96 0.00 0.02 0.00 0.00 34.50 32.78 2q6m s PRO 534 CO 0.12 -0.69 1.97 0.07 -0.33 0.00 0.00 177.00 178.14 2q6m h ARG 535 N 2.37 0.47 0.00 5.54 0.11 -1.24 0.61 114.38 122.24 2q6m h ARG 535 Ca -0.50 -0.03 -0.00 0.00 0.10 0.00 0.00 59.98 59.55 2q6m h ARG 535 Cb 1.26 -0.11 -0.00 0.00 1.11 0.00 0.00 29.97 32.23 2q6m h ARG 535 CO 0.61 0.31 -0.02 0.00 0.10 0.00 0.00 179.97 180.97 2q6m h ALA 536 N 1.68 1.52 0.00 0.08 0.00 -1.90 -1.55 119.26 119.09 2q6m h ALA 536 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2q6m h ALA 536 Cb 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2q6m h ALA 536 CO -0.09 0.03 0.00 0.43 0.00 0.00 0.00 179.25 179.62 2q6m n SER 537 N -3.86 0.65 0.31 0.00 7.64 0.21 -2.27 113.62 116.29 2q6m n SER 537 Ca -0.03 0.67 0.18 0.00 1.01 0.00 0.00 58.87 60.71 2q6m n SER 537 Cb 0.11 -0.81 0.98 0.00 -1.01 0.00 0.00 64.21 63.48 2q6m n SER 537 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2q6m h LEU 538 N 0.00 0.00 -2.51 -3.43 3.38 -1.40 -2.04 115.31 109.31 2q6m h LEU 538 Ca 0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2q6m h LEU 538 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2q6m h LEU 538 CO 0.00 0.03 0.06 -0.08 0.09 0.00 0.00 178.44 178.54 2q6m h GLU 539 N 0.00 0.00 -0.59 1.13 4.81 -1.65 -2.80 114.58 115.47 2q6m h GLU 539 Ca -0.00 0.00 -0.43 0.00 -0.13 0.00 0.00 59.36 58.80 2q6m h GLU 539 Cb 0.14 0.00 -0.37 0.00 0.63 0.00 0.00 28.75 29.15 2q6m h GLU 539 CO 0.00 0.00 -0.83 0.54 -0.73 0.00 0.00 179.01 178.00 2q6m n ARG 540 N -3.62 3.01 -3.86 1.92 1.74 -0.77 -4.94 116.66 110.14 2q6m n ARG 540 Ca -0.02 -3.92 -0.33 0.00 -0.77 0.00 0.00 57.85 52.82 2q6m n ARG 540 Cb 0.15 -2.05 -0.12 0.00 -1.02 0.00 0.00 32.46 29.42 2q6m n ARG 540 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2q6m s PHE 541 N -3.49 3.35 0.28 -1.55 5.36 -1.06 -1.15 117.98 119.73 2q6m s PHE 541 Ca 0.46 -2.94 0.03 0.00 -0.96 0.00 0.00 56.93 53.52 2q6m s PHE 541 Cb 0.39 -3.00 -0.03 0.00 -0.34 0.00 0.00 43.02 40.04 2q6m s PHE 541 CO 0.01 -0.82 0.43 0.71 -1.46 0.00 0.00 175.22 174.10 2q6m s TYR 542 N 0.01 3.45 -0.02 10.12 2.02 -0.41 -0.93 117.35 131.59 2q6m s TYR 542 Ca 0.16 0.10 -0.07 0.00 -0.37 0.00 0.00 57.07 56.88 2q6m s TYR 542 Cb -0.23 -1.71 0.01 0.00 -0.40 0.00 0.00 41.96 39.63 2q6m s TYR 542 CO -0.02 0.30 0.16 0.50 -1.57 0.00 0.00 175.55 174.91 2q6m s ARG 543 N -4.11 0.43 0.11 -0.62 3.52 -0.69 -0.92 118.95 116.67 2q6m s ARG 543 Ca 0.37 -0.23 0.06 0.00 -0.13 0.00 0.00 55.73 55.80 2q6m s ARG 543 Cb -0.09 0.18 -0.04 0.00 -1.56 0.00 0.00 34.95 33.44 2q6m s ARG 543 CO 0.32 -0.10 -0.16 -0.08 -0.81 0.00 0.00 175.30 174.47 2q6m s THR 544 N -1.01 1.42 -1.32 4.11 -1.32 -0.23 -4.47 115.64 112.82 2q6m s THR 544 Ca -0.11 -1.63 0.28 0.00 -1.21 0.00 0.00 61.69 59.02 2q6m s THR 544 Cb -0.06 -1.48 0.28 0.00 -1.51 0.00 0.00 72.50 69.73 2q6m s THR 544 CO 0.01 -0.30 1.75 0.59 -2.21 0.00 0.00 174.62 174.47 2q6m n ASN 545 N 0.75 0.38 -4.74 8.08 3.02 -1.26 -4.24 115.26 117.26 2q6m n ASN 545 Ca -0.17 -0.23 -0.41 0.00 -0.03 0.00 0.00 54.58 53.74 2q6m n ASN 545 Cb 0.56 -0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.59 2q6m n ASN 545 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2q6m s THR 546 N -2.74 3.92 0.15 3.41 2.01 -1.26 -4.67 115.64 116.46 2q6m s THR 546 Ca 0.20 1.73 -0.34 0.00 0.31 0.00 0.00 61.69 63.59 2q6m s THR 546 Cb 0.19 -4.10 -0.15 0.00 0.01 0.00 0.00 72.50 68.45 2q6m s THR 546 CO 0.55 0.33 1.37 -2.65 -0.69 0.00 0.00 174.62 173.52 2q6m n PRO 547 N 2.13 1.55 -0.35 4.92 -0.02 -1.26 -4.18 135.00 137.79 2q6m n PRO 547 Ca 0.01 0.56 0.04 0.00 -2.02 0.00 0.00 63.50 62.09 2q6m n PRO 547 Cb 0.46 -2.20 0.21 0.00 -0.02 0.00 0.00 33.50 31.95 2q6m n PRO 547 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 2q6m h LEU 548 N 4.54 0.98 -2.50 2.45 5.85 -1.44 0.83 115.31 126.02 2q6m h LEU 548 Ca -0.45 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.28 2q6m h LEU 548 Cb 1.31 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 2q6m h LEU 548 CO 0.78 0.62 -0.00 1.05 -0.34 0.00 0.00 178.44 180.54 2q6m h GLU 549 N 1.11 0.00 -0.42 1.25 9.09 -1.86 -1.09 114.58 122.66 2q6m h GLU 549 Ca 0.43 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.84 2q6m h GLU 549 Cb 0.22 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.32 2q6m h GLU 549 CO -0.18 0.00 0.00 0.09 0.05 0.00 0.00 179.01 178.98 2q6m n ASN 550 N -3.11 3.30 -0.78 3.06 4.13 0.26 -4.57 115.26 117.55 2q6m n ASN 550 Ca -0.02 -1.94 0.07 0.00 1.68 0.00 0.00 54.58 54.37 2q6m n ASN 550 Cb 0.15 -0.27 0.21 0.00 -1.54 0.00 0.00 39.78 38.32 2q6m n ASN 550 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2q6m n ALA 551 N 1.23 2.62 -0.32 5.41 0.00 -0.41 -4.72 120.51 124.31 2q6m n ALA 551 Ca 0.17 -1.76 0.06 0.00 0.00 0.00 0.00 53.44 51.91 2q6m n ALA 551 Cb 0.54 -0.59 0.21 0.00 0.00 0.00 0.00 19.45 19.61 2q6m n ALA 551 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2q6m h GLU 552 N 1.92 0.81 -0.31 0.00 4.81 -1.81 -0.02 114.58 119.99 2q6m h GLU 552 Ca 0.00 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2q6m h GLU 552 Cb 1.11 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.30 2q6m h GLU 552 CO 0.12 0.54 0.04 0.93 -0.73 0.00 0.00 179.01 179.91 2q6m h GLU 553 N 0.84 0.52 -0.26 1.92 5.08 -1.97 -0.72 114.58 119.98 2q6m h GLU 553 Ca 0.45 -0.14 0.01 0.00 -1.00 0.00 0.00 59.36 58.68 2q6m h GLU 553 Cb 0.48 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2q6m h GLU 553 CO -0.28 0.62 0.14 1.25 -1.00 0.00 0.00 179.01 179.75 2q6m h HIS 554 N 0.33 0.27 -0.69 4.33 2.76 -1.75 -1.31 115.15 119.09 2q6m h HIS 554 Ca 0.09 0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 2q6m h HIS 554 Cb 0.36 -0.08 -0.03 0.00 1.55 0.00 0.00 27.41 29.21 2q6m h HIS 554 CO 0.03 0.15 0.38 0.82 -1.30 0.00 0.00 177.93 178.01 2q6m h ILE 555 N 0.30 1.21 -0.70 6.26 2.04 -0.78 0.07 117.51 125.91 2q6m h ILE 555 Ca 0.10 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.38 2q6m h ILE 555 Cb 0.01 0.32 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 2q6m h ILE 555 CO -0.06 0.23 0.24 0.74 0.00 0.00 0.00 178.15 179.30 2q6m h THR 556 N 0.94 1.25 -0.52 -0.27 2.02 -0.97 -0.43 112.91 114.93 2q6m h THR 556 Ca 0.24 -0.85 -0.08 0.00 0.77 0.00 0.00 66.41 66.49 2q6m h THR 556 Cb 0.04 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 2q6m h THR 556 CO -0.04 0.33 -0.01 -0.61 0.37 0.00 0.00 175.52 175.57 2q6m h GLN 557 N 1.02 0.91 -0.31 6.66 5.75 -0.77 0.13 115.11 128.49 2q6m h GLN 557 Ca 0.23 -0.29 -0.18 0.00 -0.15 0.00 0.00 58.65 58.25 2q6m h GLN 557 Cb 0.28 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.74 2q6m h GLN 557 CO -0.01 0.94 -0.51 0.28 -2.65 0.00 0.00 178.83 176.88 2q6m h VAL 558 N 0.78 1.27 0.00 2.39 2.07 -0.48 -3.19 116.25 119.09 2q6m h VAL 558 Ca 0.15 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.98 2q6m h VAL 558 Cb 0.53 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2q6m h VAL 558 CO 0.03 0.55 -0.51 0.16 0.02 0.00 0.00 177.57 177.83 2q6m h ILE 559 N 0.69 0.00 -0.11 4.57 3.07 -1.05 -3.48 117.51 121.20 2q6m h ILE 559 Ca 0.03 -0.58 -0.05 0.00 1.55 0.00 0.00 64.86 65.81 2q6m h ILE 559 Cb 1.11 1.26 -0.02 0.00 -0.27 0.00 0.00 36.82 38.90 2q6m h ILE 559 CO 0.12 0.00 -0.04 0.61 -1.05 0.00 0.00 178.15 177.78 2q6m n GLY 560 N 1.30 0.56 3.85 0.16 0.00 0.03 -5.01 105.19 106.06 2q6m n GLY 560 Ca 0.03 -0.92 -0.07 0.00 0.00 0.00 0.00 46.02 45.06 2q6m n GLY 560 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2q6m s HIS 561 N -2.08 -0.12 0.68 1.61 0.00 -1.19 -5.05 115.29 109.14 2q6m s HIS 561 Ca 0.00 -0.38 -0.11 0.00 -3.00 0.00 0.00 55.06 51.57 2q6m s HIS 561 Cb 0.00 0.74 0.00 0.00 -4.00 0.00 0.00 32.58 29.32 2q6m s HIS 561 CO 0.00 -1.29 1.06 -1.54 -1.00 0.00 0.00 174.74 171.96 2q6m s SER 562 N -2.96 5.48 0.70 7.38 1.04 -1.26 -4.51 113.70 119.58 2q6m s SER 562 Ca 0.12 1.61 -0.16 0.00 0.48 0.00 0.00 55.95 58.01 2q6m s SER 562 Cb -0.06 -2.50 0.02 0.00 0.10 0.00 0.00 66.02 63.59 2q6m s SER 562 CO 0.08 -1.38 1.21 -0.76 0.98 0.00 0.00 173.24 173.37 2q6m s LEU 563 N -5.45 3.38 0.75 2.42 1.43 -1.26 -4.71 118.68 115.24 2q6m s LEU 563 Ca 0.58 2.37 -0.09 0.00 -1.03 0.00 0.00 54.13 55.95 2q6m s LEU 563 Cb -0.14 -4.59 0.06 0.00 0.03 0.00 0.00 46.19 41.55 2q6m s LEU 563 CO 0.54 -2.13 1.09 -2.16 0.23 0.00 0.00 176.35 173.92 2q6m s PRO 564 N -3.80 2.17 0.34 1.29 0.04 -1.25 -4.96 135.00 128.82 2q6m s PRO 564 Ca 0.75 -0.03 -0.29 0.00 0.04 0.00 0.00 61.00 61.48 2q6m s PRO 564 Cb -0.30 -2.06 -0.11 0.00 0.04 0.00 0.00 34.50 32.07 2q6m s PRO 564 CO 0.43 -1.37 1.51 -0.51 0.04 0.00 0.00 177.00 177.10 2q6m s LEU 565 N -5.40 4.34 0.00 -3.56 1.43 -1.26 -5.01 118.68 109.22 2q6m s LEU 565 Ca 0.61 2.98 0.00 0.00 -1.03 0.00 0.00 54.13 56.68 2q6m s LEU 565 Cb -0.11 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2q6m s LEU 565 CO 0.47 -0.86 0.00 0.54 0.23 0.00 0.00 176.35 176.73 2q6m n ARG 566 N 1.11 0.00 -2.49 1.70 1.74 -1.26 -4.17 116.66 113.29 2q6m n ARG 566 Ca 0.03 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.69 2q6m n ARG 566 Cb 0.39 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.83 2q6m n ARG 566 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2q6m n ASN 567 N 0.00 5.72 -3.54 0.55 2.85 -1.26 -3.42 115.26 116.16 2q6m n ASN 567 Ca 0.00 -3.21 -0.11 0.00 -0.11 0.00 0.00 54.58 51.15 2q6m n ASN 567 Cb 0.00 -1.41 -0.03 0.00 1.24 0.00 0.00 39.78 39.58 2q6m n ASN 567 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2q6m s GLU 568 N -0.70 1.16 0.07 1.20 8.01 -1.26 -4.83 118.70 122.35 2q6m s GLU 568 Ca 0.38 -0.60 0.03 0.00 0.01 0.00 0.00 54.97 54.80 2q6m s GLU 568 Cb 0.09 0.52 -0.03 0.00 -4.31 0.00 0.00 34.13 30.41 2q6m s GLU 568 CO 0.02 -0.48 -0.10 0.00 0.01 0.00 0.00 175.26 174.71 2q6m s ALA 569 N -3.77 0.89 -0.02 5.21 0.00 -0.30 -0.68 121.76 123.10 2q6m s ALA 569 Ca 0.02 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.04 2q6m s ALA 569 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.14 2q6m s ALA 569 CO -0.12 0.02 -0.06 0.12 0.00 0.00 0.00 175.76 175.71 2q6m s PHE 570 N -1.70 0.68 0.06 0.00 5.36 -0.40 -1.29 117.98 120.69 2q6m s PHE 570 Ca -0.03 -0.15 0.09 0.00 -0.96 0.00 0.00 56.93 55.88 2q6m s PHE 570 Cb -0.08 -0.50 -0.03 0.00 -0.34 0.00 0.00 43.02 42.07 2q6m s PHE 570 CO 0.01 -0.07 -0.26 0.99 -1.46 0.00 0.00 175.22 174.43 2q6m s THR 571 N 0.19 2.22 0.07 0.12 2.01 -0.09 -0.79 115.64 119.37 2q6m s THR 571 Ca -0.02 -1.42 -0.27 0.00 0.31 0.00 0.00 61.69 60.29 2q6m s THR 571 Cb -0.07 -1.89 0.09 0.00 0.01 0.00 0.00 72.50 70.65 2q6m s THR 571 CO -0.00 0.32 1.16 -0.83 -0.69 0.00 0.00 174.62 174.58 2q6m s GLY 572 N -1.38 -0.18 0.34 4.40 0.00 -0.63 -1.07 107.32 108.80 2q6m s GLY 572 Ca 0.12 0.18 -0.29 0.00 0.00 0.00 0.00 44.72 44.73 2q6m s GLY 572 CO 0.03 1.83 1.53 -1.05 0.00 0.00 0.00 173.10 175.43 2q6m n PRO 573 N -0.63 2.66 0.23 2.90 -0.02 -1.26 -1.04 135.00 137.84 2q6m n PRO 573 Ca -0.04 0.94 0.10 0.00 -2.02 0.00 0.00 63.50 62.48 2q6m n PRO 573 Cb 0.61 -2.69 0.51 0.00 -0.02 0.00 0.00 33.50 31.91 2q6m n PRO 573 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 2q6m h GLU 574 N 3.72 0.00 -3.27 -0.52 -0.00 -1.21 -1.02 114.58 112.28 2q6m h GLU 574 Ca -0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 59.36 58.85 2q6m h GLU 574 Cb 1.24 0.00 -0.10 0.00 -0.00 0.00 0.00 28.75 29.89 2q6m h GLU 574 CO 0.70 0.22 0.05 -1.54 -0.00 0.00 0.00 179.01 178.44 2q6m s SER 575 N -6.20 -0.28 0.23 3.06 1.04 -1.26 -4.69 113.70 105.59 2q6m s SER 575 Ca -0.00 -0.45 -0.31 0.00 0.48 0.00 0.00 55.95 55.66 2q6m s SER 575 Cb 0.11 0.59 -0.11 0.00 0.10 0.00 0.00 66.02 66.70 2q6m s SER 575 CO 0.63 -1.06 1.62 0.00 0.98 0.00 0.00 173.24 175.41 2q6m s ALA 576 N -3.87 3.81 0.00 5.32 0.00 -1.26 -0.25 121.76 125.52 2q6m s ALA 576 Ca 0.09 1.51 0.00 0.00 0.00 0.00 0.00 51.96 53.56 2q6m s ALA 576 Cb -0.01 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2q6m s ALA 576 CO -0.03 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.24 2q6m n GLY 577 N 3.15 1.89 3.95 0.00 0.00 -1.26 -5.02 105.19 107.90 2q6m n GLY 577 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 2q6m n GLY 577 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2q6m s GLY 578 N -1.97 1.74 0.83 -0.02 0.00 0.66 -5.09 107.32 103.47 2q6m s GLY 578 Ca 0.00 -1.13 -0.11 0.00 0.00 0.00 0.00 44.72 43.49 2q6m s GLY 578 CO 0.00 -0.73 1.09 -0.54 0.00 0.00 0.00 173.10 172.93 2q6m s GLU 579 N -5.12 1.80 0.60 2.90 0.41 -1.26 -4.53 118.70 113.49 2q6m s GLU 579 Ca 0.60 1.09 -0.17 0.00 -0.41 0.00 0.00 54.97 56.08 2q6m s GLU 579 Cb -0.10 -1.85 -0.03 0.00 -1.78 0.00 0.00 34.13 30.37 2q6m s GLU 579 CO 0.43 -1.94 1.11 -0.51 -0.49 0.00 0.00 175.26 173.86 2q6m s ASP 580 N -3.33 5.47 0.08 -0.19 1.01 -1.26 -0.82 116.67 117.63 2q6m s ASP 580 Ca 0.62 2.04 0.05 0.00 0.71 0.00 0.00 52.55 55.98 2q6m s ASP 580 Cb -0.18 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.16 2q6m s ASP 580 CO 0.57 -1.38 -0.13 -1.83 0.21 0.00 0.00 175.17 172.60 2q6m s GLU 581 N -3.74 0.85 -0.11 8.23 -1.05 -0.21 -4.58 118.70 118.08 2q6m s GLU 581 Ca 0.69 -1.02 0.03 0.00 -0.15 0.00 0.00 54.97 54.52 2q6m s GLU 581 Cb -0.21 -0.78 0.00 0.00 -0.44 0.00 0.00 34.13 32.71 2q6m s GLU 581 CO 0.34 0.16 -0.22 0.99 0.95 0.00 0.00 175.26 177.48 2q6m s THR 582 N -1.59 1.95 -0.32 1.83 2.01 0.30 -1.61 115.64 118.21 2q6m s THR 582 Ca 0.01 -0.94 -0.10 0.00 0.31 0.00 0.00 61.69 60.96 2q6m s THR 582 Cb -0.08 -1.70 -0.01 0.00 0.01 0.00 0.00 72.50 70.72 2q6m s THR 582 CO 0.02 0.53 0.18 -0.69 -0.69 0.00 0.00 174.62 173.97 2q6m s VAL 583 N 0.50 4.76 -0.34 3.82 1.01 0.03 -0.95 120.40 129.24 2q6m s VAL 583 Ca -0.15 -0.39 -0.15 0.00 0.00 0.00 0.00 61.98 61.28 2q6m s VAL 583 Cb -0.17 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 32.75 2q6m s VAL 583 CO 0.06 0.04 0.37 -0.63 0.00 0.00 0.00 175.10 174.93 2q6m s ILE 584 N 1.64 5.16 0.62 2.22 1.01 0.22 -1.28 121.20 130.79 2q6m s ILE 584 Ca 0.05 0.11 -0.19 0.00 0.00 0.00 0.00 60.65 60.62 2q6m s ILE 584 Cb -0.17 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 2q6m s ILE 584 CO 0.07 -0.07 1.18 0.61 0.00 0.00 0.00 174.94 176.73 2q6m n GLY 585 N 4.93 0.25 0.33 6.18 0.00 0.15 -0.78 105.19 116.25 2q6m n GLY 585 Ca -0.09 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.81 2q6m n GLY 585 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 2q6m h TRP 586 N 0.60 0.80 0.00 1.61 4.06 -1.72 0.91 115.95 122.21 2q6m h TRP 586 Ca -0.50 -0.00 -0.02 0.00 2.06 0.00 0.00 58.89 60.43 2q6m h TRP 586 Cb 1.35 -0.26 -0.00 0.00 -1.00 0.00 0.00 29.16 29.24 2q6m h TRP 586 CO 0.40 0.55 -0.09 -0.44 -3.56 0.00 0.00 178.44 175.30 2q6m h ASP 587 N 0.84 0.00 0.14 -3.49 3.32 -1.84 -1.87 116.42 113.52 2q6m h ASP 587 Ca 0.22 0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.01 2q6m h ASP 587 Cb 0.00 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.56 2q6m h ASP 587 CO -0.04 0.09 -1.23 -0.03 -1.72 0.00 0.00 179.24 176.32 2q6m h MET 588 N 0.00 0.29 0.00 3.56 4.05 -1.26 -3.40 114.93 118.17 2q6m h MET 588 Ca -0.00 -0.49 -0.03 0.00 -0.28 0.00 0.00 59.70 58.89 2q6m h MET 588 Cb 0.25 0.18 -0.00 0.00 -0.80 0.00 0.00 31.60 31.23 2q6m h MET 588 CO 0.01 1.24 -0.15 0.00 0.23 0.00 0.00 176.91 178.24 2q6m h ALA 589 N 0.01 1.43 0.00 0.39 0.00 -0.13 -1.50 119.26 119.47 2q6m h ALA 589 Ca -0.25 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2q6m h ALA 589 Cb 1.76 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.53 2q6m h ALA 589 CO 0.11 0.18 0.00 0.44 0.00 0.00 0.00 179.25 179.98 2q6m n ILE 590 N -3.89 0.80 0.99 0.00 -5.35 -0.77 -1.33 119.36 109.81 2q6m n ILE 590 Ca -0.02 0.20 0.12 0.00 -0.27 0.00 0.00 62.75 62.78 2q6m n ILE 590 Cb 0.24 -0.95 0.12 0.00 -1.74 0.00 0.00 39.64 37.31 2q6m n ILE 590 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2q6m n HIS 591 N -1.41 0.02 -2.34 4.28 8.25 -0.56 -4.85 115.22 118.61 2q6m n HIS 591 Ca 0.05 -0.01 -0.27 0.00 -0.26 0.00 0.00 57.72 57.24 2q6m n HIS 591 Cb 0.15 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.30 2q6m n HIS 591 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2q6m s ALA 592 N -1.98 3.27 -0.04 -1.41 0.00 -0.44 -4.41 121.76 116.74 2q6m s ALA 592 Ca 0.29 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.57 2q6m s ALA 592 Cb 0.20 -2.61 -0.01 0.00 0.00 0.00 0.00 23.12 20.70 2q6m s ALA 592 CO 0.30 -0.90 -0.18 0.08 0.00 0.00 0.00 175.76 175.05 2q6m s VAL 593 N -3.05 1.52 -0.13 0.00 1.01 -0.08 -4.74 120.40 114.94 2q6m s VAL 593 Ca 0.55 -0.77 0.01 0.00 0.00 0.00 0.00 61.98 61.76 2q6m s VAL 593 Cb -0.11 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 2q6m s VAL 593 CO 0.45 0.44 -0.15 0.00 0.00 0.00 0.00 175.10 175.84 2q6m s ALA 594 N -0.03 2.54 0.07 5.51 0.00 -1.26 -0.76 121.76 127.84 2q6m s ALA 594 Ca -0.03 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.08 2q6m s ALA 594 Cb -0.11 -1.15 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 2q6m s ALA 594 CO 0.02 0.23 -0.18 0.96 0.00 0.00 0.00 175.76 176.79 2q6m s ILE 595 N 0.39 1.44 0.36 0.00 -4.36 -0.41 -4.58 121.20 114.05 2q6m s ILE 595 Ca -0.12 -1.28 -0.28 0.00 -0.26 0.00 0.00 60.65 58.71 2q6m s ILE 595 Cb -0.16 -1.31 -0.11 0.00 1.25 0.00 0.00 42.46 42.13 2q6m s ILE 595 CO 0.06 -0.01 1.42 -2.84 0.24 0.00 0.00 174.94 173.81 2q6m s PRO 596 N -1.51 4.18 0.83 0.37 0.02 -1.26 -0.06 135.00 137.56 2q6m s PRO 596 Ca 0.04 2.44 -0.12 0.00 0.02 0.00 0.00 61.00 63.39 2q6m s PRO 596 Cb -0.09 -2.99 0.09 0.00 0.02 0.00 0.00 34.50 31.53 2q6m s PRO 596 CO 0.03 -0.42 1.12 0.45 -0.33 0.00 0.00 177.00 177.84 2q6m s SER 597 N -0.28 4.23 0.00 2.53 0.15 0.07 -4.72 113.70 115.68 2q6m s SER 597 Ca 0.52 1.13 0.27 0.00 0.70 0.00 0.00 55.95 58.57 2q6m s SER 597 Cb -0.44 -1.80 0.88 0.00 -1.71 0.00 0.00 66.02 62.95 2q6m s SER 597 CO 0.59 -2.12 1.65 0.35 1.20 0.00 0.00 173.24 174.92 2q6m n THR 598 N -3.50 0.01 -2.41 6.45 -2.24 -1.26 -4.86 114.28 106.47 2q6m n THR 598 Ca 0.07 -0.30 -0.42 0.00 -2.27 0.00 0.00 64.05 61.12 2q6m n THR 598 Cb 0.58 0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 2q6m n THR 598 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2q6m s ILE 599 N -1.99 4.17 0.64 2.28 1.01 -1.26 -4.98 121.20 121.07 2q6m s ILE 599 Ca 0.36 1.48 -0.18 0.00 0.00 0.00 0.00 60.65 62.31 2q6m s ILE 599 Cb 0.21 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.71 2q6m s ILE 599 CO 0.33 -0.04 1.27 -2.65 0.00 0.00 0.00 174.94 173.85 2q6m n PRO 600 N 5.60 1.11 -0.95 2.79 -0.02 -1.26 -4.31 135.00 137.95 2q6m n PRO 600 Ca 0.12 0.44 -0.16 0.00 -2.02 0.00 0.00 63.50 61.88 2q6m n PRO 600 Cb 0.45 -2.51 0.11 0.00 -0.02 0.00 0.00 33.50 31.54 2q6m n PRO 600 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2q6m n GLY 601 N 0.95 -1.51 0.00 -1.23 0.00 -1.23 -4.80 105.19 97.36 2q6m n GLY 601 Ca 0.16 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2q6m n GLY 601 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2q6m n ASN 602 N -3.54 0.08 -3.95 1.61 2.85 0.29 -4.69 115.26 107.91 2q6m n ASN 602 Ca 0.09 -0.85 -0.10 0.00 -0.11 0.00 0.00 54.58 53.61 2q6m n ASN 602 Cb 0.31 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.26 2q6m n ASN 602 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2q6m s ALA 603 N -2.00 -0.05 0.19 5.20 0.00 -1.25 -1.00 121.76 122.85 2q6m s ALA 603 Ca 0.00 -0.86 -0.13 0.00 0.00 0.00 0.00 51.96 50.97 2q6m s ALA 603 Cb 0.00 0.89 0.21 0.00 0.00 0.00 0.00 23.12 24.22 2q6m s ALA 603 CO 0.00 -0.67 1.69 -0.92 0.00 0.00 0.00 175.76 175.86 2q6m h TYR 604 N 2.50 0.05 -3.58 0.00 3.20 -1.81 -3.23 116.97 114.10 2q6m h TYR 604 Ca -0.31 0.04 -0.63 0.00 3.14 0.00 0.00 58.73 60.97 2q6m h TYR 604 Cb 1.23 0.06 -0.13 0.00 1.54 0.00 0.00 36.73 39.43 2q6m h TYR 604 CO 0.39 -0.08 0.26 -1.21 -1.64 0.00 0.00 178.16 175.88 2q6m s GLU 605 N -6.15 3.57 0.45 1.82 2.02 -1.26 -4.99 118.70 114.15 2q6m s GLU 605 Ca -0.13 0.02 -0.24 0.00 0.02 0.00 0.00 54.97 54.63 2q6m s GLU 605 Cb 0.16 -3.86 -0.07 0.00 0.10 0.00 0.00 34.13 30.45 2q6m s GLU 605 CO 0.73 -0.91 1.26 -1.21 0.02 0.00 0.00 175.26 175.14 2q6m s GLU 606 N 2.99 3.74 0.11 1.61 2.02 -1.22 -5.03 118.70 122.92 2q6m s GLU 606 Ca 0.27 2.02 0.09 0.00 0.02 0.00 0.00 54.97 57.38 2q6m s GLU 606 Cb -0.13 -2.54 -0.04 0.00 0.10 0.00 0.00 34.13 31.52 2q6m s GLU 606 CO 0.18 -0.64 -0.23 -0.51 0.02 0.00 0.00 175.26 174.09 2q6m s LEU 607 N -2.84 2.30 0.43 1.80 1.43 -1.26 -4.96 118.68 115.58 2q6m s LEU 607 Ca 0.62 -0.70 -0.23 0.00 -1.03 0.00 0.00 54.13 52.78 2q6m s LEU 607 Cb -0.35 -0.98 -0.08 0.00 0.03 0.00 0.00 46.19 44.80 2q6m s LEU 607 CO 0.43 0.09 1.10 0.00 0.23 0.00 0.00 176.35 178.21 2q6m s ALA 608 N -1.13 3.03 0.59 4.21 0.00 -1.26 -4.90 121.76 122.31 2q6m s ALA 608 Ca 0.09 0.80 -0.19 0.00 0.00 0.00 0.00 51.96 52.66 2q6m s ALA 608 Cb -0.10 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.66 2q6m s ALA 608 CO 0.05 -0.41 1.20 -1.50 0.00 0.00 0.00 175.76 175.09 2q6m s ILE 609 N -1.61 2.69 -0.77 0.00 2.07 -1.26 -4.94 121.20 117.38 2q6m s ILE 609 Ca 0.60 0.43 -0.24 0.00 -1.41 0.00 0.00 60.65 60.03 2q6m s ILE 609 Cb -0.25 -3.17 0.05 0.00 0.13 0.00 0.00 42.46 39.23 2q6m s ILE 609 CO 0.31 -0.09 1.19 -0.62 -1.91 0.00 0.00 174.94 173.81 2q6m s ASP 610 N -1.62 6.25 0.36 4.50 -1.08 -1.26 -4.90 116.67 118.91 2q6m s ASP 610 Ca 0.77 -0.89 0.08 0.00 -0.52 0.00 0.00 52.55 51.99 2q6m s ASP 610 Cb -0.30 -2.50 0.68 0.00 -1.46 0.00 0.00 42.92 39.34 2q6m s ASP 610 CO 0.32 -1.61 1.87 -0.33 0.52 0.00 0.00 175.17 175.95 2q6m h GLU 611 N 9.76 0.32 -0.95 4.34 4.39 -1.99 -2.10 114.58 128.34 2q6m h GLU 611 Ca -0.18 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.46 2q6m h GLU 611 Cb 1.05 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.61 2q6m h GLU 611 CO 1.26 0.46 0.63 1.49 -1.16 0.00 0.00 179.01 181.68 2q6m h GLU 612 N 0.30 1.21 -0.21 2.33 4.81 -1.99 -0.11 114.58 120.92 2q6m h GLU 612 Ca 0.06 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.05 2q6m h GLU 612 Cb 0.43 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 2q6m h GLU 612 CO 0.03 0.80 -0.53 0.00 -0.73 0.00 0.00 179.01 178.58 2q6m h ALA 613 N 1.37 0.68 -0.32 2.92 0.00 -1.78 -1.31 119.26 120.81 2q6m h ALA 613 Ca 0.36 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.80 2q6m h ALA 613 Cb -0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 2q6m h ALA 613 CO -0.10 0.68 0.14 0.28 0.00 0.00 0.00 179.25 180.26 2q6m h VAL 614 N 0.47 0.95 -0.60 0.00 2.07 -1.07 -2.56 116.25 115.52 2q6m h VAL 614 Ca 0.01 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 2q6m h VAL 614 Cb 1.08 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 2q6m h VAL 614 CO 0.10 0.05 0.30 0.00 0.02 0.00 0.00 177.57 178.04 2q6m h ALA 615 N 1.19 0.77 -0.09 1.67 0.00 -0.86 -1.60 119.26 120.33 2q6m h ALA 615 Ca 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2q6m h ALA 615 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2q6m h ALA 615 CO -0.12 0.32 -0.04 -0.22 0.00 0.00 0.00 179.25 179.19 2q6m h LYS 616 N 0.81 0.13 -0.01 0.00 3.64 -0.99 -2.21 116.57 117.94 2q6m h LYS 616 Ca 0.21 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2q6m h LYS 616 Cb 0.10 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2q6m h LYS 616 CO -0.03 0.19 -0.23 0.39 -2.27 0.00 0.00 179.45 177.50 2q6m n GLU 617 N -4.41 0.90 -0.23 1.90 1.02 -0.88 -4.51 120.64 114.42 2q6m n GLU 617 Ca -0.01 -0.52 -0.01 0.00 -0.02 0.00 0.00 57.16 56.60 2q6m n GLU 617 Cb 0.17 -1.49 0.11 0.00 -0.02 0.00 0.00 31.44 30.20 2q6m n GLU 617 CO 0.00 0.00 0.00 0.37 1.18 0.00 0.00 177.13 178.68 2q6m h GLN 618 N 1.27 0.65 0.00 3.49 4.15 -0.65 -2.49 115.11 121.52 2q6m h GLN 618 Ca 0.00 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 2q6m h GLN 618 Cb 0.50 -0.15 -0.00 0.00 0.21 0.00 0.00 27.48 28.04 2q6m h GLN 618 CO 0.00 0.43 -0.02 0.66 -1.93 0.00 0.00 178.83 177.97 2q6m h SER 619 N 0.66 0.00 -0.58 -0.69 4.64 -1.79 -1.12 113.55 114.68 2q6m h SER 619 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 2q6m h SER 619 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2q6m h SER 619 CO -0.20 0.02 0.00 2.30 -0.87 0.00 0.00 176.83 178.08 2q6m n ILE 620 N -3.13 1.95 -2.26 0.95 -5.35 -0.95 -4.54 119.36 106.03 2q6m n ILE 620 Ca -0.00 -1.29 0.00 0.00 -0.27 0.00 0.00 62.75 61.19 2q6m n ILE 620 Cb 0.26 0.06 0.08 0.00 -1.74 0.00 0.00 39.64 38.30 2q6m n ILE 620 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2q6m n SER 621 N 0.84 1.81 -4.77 7.28 7.64 -0.42 -4.93 113.62 121.07 2q6m n SER 621 Ca 0.25 -2.74 -0.35 0.00 1.01 0.00 0.00 58.87 57.03 2q6m n SER 621 Cb 0.90 -0.40 0.01 0.00 -1.01 0.00 0.00 64.21 63.71 2q6m n SER 621 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2q6m s THR 622 N -2.22 3.14 0.46 0.44 -4.23 -1.24 -4.96 115.64 107.02 2q6m s THR 622 Ca 0.36 0.68 -0.25 0.00 -1.18 0.00 0.00 61.69 61.31 2q6m s THR 622 Cb 0.37 -3.26 -0.08 0.00 1.34 0.00 0.00 72.50 70.88 2q6m s THR 622 CO -0.09 -0.18 1.35 -0.54 -0.54 0.00 0.00 174.62 174.63 2q6m s LYS 623 N -3.39 3.67 0.82 3.99 1.02 -1.26 -4.84 119.74 119.75 2q6m s LYS 623 Ca 0.72 2.25 -0.11 0.00 0.02 0.00 0.00 55.97 58.85 2q6m s LYS 623 Cb -0.24 -2.59 0.08 0.00 -0.52 0.00 0.00 37.83 34.57 2q6m s LYS 623 CO 0.29 -0.77 1.10 -1.25 -0.92 0.00 0.00 175.35 173.80 2q6m s PRO 624 N -2.49 1.89 0.46 -1.68 0.04 -1.26 -5.01 135.00 126.95 2q6m s PRO 624 Ca 0.62 0.68 -0.22 0.00 0.04 0.00 0.00 61.00 62.12 2q6m s PRO 624 Cb -0.40 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.16 2q6m s PRO 624 CO 0.51 -1.76 1.07 -1.25 0.04 0.00 0.00 177.00 175.60 2q6m s PRO 625 N -5.11 3.86 0.16 0.56 0.04 -1.26 -5.05 135.00 128.21 2q6m s PRO 625 Ca 0.61 1.51 0.11 0.00 0.04 0.00 0.00 61.00 63.27 2q6m s PRO 625 Cb -0.15 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.06 2q6m s PRO 625 CO 0.55 -0.40 -0.23 0.71 0.04 0.00 0.00 177.00 177.67 2q6m s TYR 626 N -1.77 2.37 -0.41 0.56 2.02 -1.26 -4.96 117.35 113.90 2q6m s TYR 626 Ca 0.64 -0.34 -0.21 0.00 -0.37 0.00 0.00 57.07 56.79 2q6m s TYR 626 Cb -0.21 -1.22 0.02 0.00 -0.40 0.00 0.00 41.96 40.15 2q6m s TYR 626 CO 0.26 0.44 0.67 0.15 -1.57 0.00 0.00 175.55 175.50 2q6m s LYS 627 N -2.43 3.45 0.00 -0.62 -0.14 -0.10 -4.90 119.74 115.00 2q6m s LYS 627 Ca 0.19 -0.16 0.00 0.00 -1.36 0.00 0.00 55.97 54.64 2q6m s LYS 627 Cb -0.09 -3.90 0.00 0.00 -1.68 0.00 0.00 37.83 32.16 2q6m s LYS 627 CO 0.09 -0.94 0.00 -1.91 -0.76 0.00 0.00 175.35 171.83