#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ijm n TYR 415 N 0.00 0.00 -2.04 2.11 4.02 -1.26 -5.01 117.16 114.98 2ijm n TYR 415 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 2ijm n TYR 415 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 2ijm n TYR 415 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2ijm s GLU 416 N -1.94 4.27 0.08 -0.72 2.56 -1.26 -1.56 118.70 120.13 2ijm s GLU 416 Ca 0.06 2.25 0.09 0.00 0.00 0.00 0.00 54.97 57.36 2ijm s GLU 416 Cb 0.09 -3.16 -0.03 0.00 2.00 0.00 0.00 34.13 33.02 2ijm s GLU 416 CO 0.43 -0.47 -0.22 0.42 -0.56 0.00 0.00 175.26 174.86 2ijm s ILE 417 N 0.64 2.57 -0.16 -3.70 1.01 0.31 -4.87 121.20 116.99 2ijm s ILE 417 Ca 0.64 -1.42 -0.23 0.00 0.00 0.00 0.00 60.65 59.64 2ijm s ILE 417 Cb -0.41 -2.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.94 2ijm s ILE 417 CO 0.36 0.24 0.74 -1.10 0.00 0.00 0.00 174.94 175.17 2ijm s GLN 418 N -1.69 4.30 0.00 2.79 -0.21 -1.26 -4.53 119.66 119.05 2ijm s GLN 418 Ca 0.15 0.85 0.21 0.00 0.02 0.00 0.00 55.36 56.59 2ijm s GLN 418 Cb -0.10 -3.55 0.95 0.00 1.00 0.00 0.00 33.01 31.31 2ijm s GLN 418 CO 0.06 -0.22 1.67 2.89 -2.12 0.00 0.00 175.29 177.57 2ijm n ARG 419 N 4.89 0.10 0.00 2.91 1.85 -1.26 -1.06 116.66 124.09 2ijm n ARG 419 Ca 0.01 0.12 0.11 0.00 -1.00 0.00 0.00 57.85 57.10 2ijm n ARG 419 Cb 0.50 -1.50 0.53 0.00 -1.05 0.00 0.00 32.46 30.93 2ijm n ARG 419 CO 0.00 0.00 0.00 -0.85 -0.01 0.00 0.00 177.63 176.77 2ijm n GLU 420 N -1.43 0.16 -0.04 2.89 0.00 -1.26 -2.37 120.64 118.59 2ijm n GLU 420 Ca 0.07 0.09 0.13 0.00 0.00 0.00 0.00 57.16 57.45 2ijm n GLU 420 Cb 0.22 -1.50 0.37 0.00 0.00 0.00 0.00 31.44 30.52 2ijm n GLU 420 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 2ijm n ARG 421 N -1.40 1.91 -4.99 3.44 1.74 -0.22 -4.86 116.66 112.28 2ijm n ARG 421 Ca 0.08 -1.34 -0.28 0.00 -0.77 0.00 0.00 57.85 55.54 2ijm n ARG 421 Cb 0.23 -1.46 -0.16 0.00 -1.02 0.00 0.00 32.46 30.04 2ijm n ARG 421 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2ijm s ILE 422 N -1.91 1.65 -0.18 0.55 1.09 -1.00 -1.14 121.20 120.26 2ijm s ILE 422 Ca 0.35 -0.84 0.00 0.00 -1.10 0.00 0.00 60.65 59.06 2ijm s ILE 422 Cb 0.20 -1.41 0.01 0.00 -1.06 0.00 0.00 42.46 40.21 2ijm s ILE 422 CO 0.31 0.47 -0.17 -1.61 -0.10 0.00 0.00 174.94 173.84 2ijm s GLU 423 N -0.05 3.08 0.35 2.79 2.02 -0.95 -4.96 118.70 120.98 2ijm s GLU 423 Ca -0.03 -0.79 -0.28 0.00 0.02 0.00 0.00 54.97 53.89 2ijm s GLU 423 Cb -0.12 -2.65 -0.11 0.00 0.10 0.00 0.00 34.13 31.35 2ijm s GLU 423 CO 0.03 -0.18 1.46 -0.51 0.02 0.00 0.00 175.26 176.07 2ijm s LEU 424 N 1.28 4.35 0.00 1.80 1.43 -1.26 -2.65 118.68 123.62 2ijm s LEU 424 Ca 0.04 2.95 0.00 0.00 -1.03 0.00 0.00 54.13 56.09 2ijm s LEU 424 Cb -0.14 -3.66 0.00 0.00 0.03 0.00 0.00 46.19 42.43 2ijm s LEU 424 CO -0.10 -0.81 0.00 0.61 0.23 0.00 0.00 176.35 176.29 2ijm n GLY 425 N 0.79 5.87 3.53 -3.19 0.00 0.11 -4.92 105.19 107.38 2ijm n GLY 425 Ca 0.02 -1.77 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 2ijm n GLY 425 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2ijm n ARG 426 N 0.00 0.94 -2.36 1.61 1.85 -1.25 -4.42 116.66 113.03 2ijm n ARG 426 Ca 0.00 0.34 -0.43 0.00 -1.00 0.00 0.00 57.85 56.76 2ijm n ARG 426 Cb 0.00 -1.67 -0.02 0.00 -1.05 0.00 0.00 32.46 29.71 2ijm n ARG 426 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2ijm n ILE 428 N 6.75 0.30 0.00 0.00 -5.35 0.65 -4.95 119.36 116.76 2ijm n ILE 428 Ca 0.16 -0.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 2ijm n ILE 428 Cb 0.47 1.18 0.00 0.00 -1.74 0.00 0.00 39.64 39.55 2ijm n ILE 428 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ijm n GLY 429 N 1.34 1.04 3.23 3.28 0.00 -1.06 -4.99 105.19 108.02 2ijm n GLY 429 Ca 0.16 -0.92 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 2ijm n GLY 429 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ijm s GLU 430 N -2.00 3.15 0.51 1.61 2.02 -1.26 -0.14 118.70 122.59 2ijm s GLU 430 Ca 0.00 -0.77 0.09 0.00 0.02 0.00 0.00 54.97 54.30 2ijm s GLU 430 Cb 0.00 -2.60 0.05 0.00 0.10 0.00 0.00 34.13 31.68 2ijm s GLU 430 CO 0.00 -0.04 0.70 0.20 0.02 0.00 0.00 175.26 176.14 2ijm s GLY 431 N 0.93 1.83 0.48 -1.39 0.00 0.16 -4.90 107.32 104.43 2ijm s GLY 431 Ca -0.03 -1.93 0.17 0.00 0.00 0.00 0.00 44.72 42.93 2ijm s GLY 431 CO -0.03 -1.59 2.02 -1.61 0.00 0.00 0.00 173.10 171.90 2ijm h GLN 432 N 0.37 0.22 0.00 2.90 4.15 -1.98 -3.13 115.11 117.65 2ijm h GLN 432 Ca -0.34 -0.01 -0.25 0.00 0.77 0.00 0.00 58.65 58.81 2ijm h GLN 432 Cb 1.28 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 28.88 2ijm h GLN 432 CO 0.43 0.15 -2.01 1.19 -1.93 0.00 0.00 178.83 176.66 2ijm n PHE 433 N -4.46 0.00 -3.95 3.99 3.01 -1.26 -5.06 117.46 109.73 2ijm n PHE 433 Ca 0.07 0.00 0.02 0.00 1.01 0.00 0.00 57.45 58.55 2ijm n PHE 433 Cb 0.37 -0.71 0.01 0.00 -0.01 0.00 0.00 39.48 39.13 2ijm n PHE 433 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2ijm n GLY 434 N 2.02 0.39 3.79 1.37 0.00 -1.14 -1.21 105.19 110.41 2ijm n GLY 434 Ca -0.22 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.52 2ijm n GLY 434 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2ijm s ASP 435 N -2.40 6.18 -0.14 1.61 -0.00 -1.26 0.37 116.67 121.03 2ijm s ASP 435 Ca 0.15 2.04 -0.04 0.00 -0.00 0.00 0.00 52.55 54.69 2ijm s ASP 435 Cb -0.00 -2.57 -0.03 0.00 -0.00 0.00 0.00 42.92 40.31 2ijm s ASP 435 CO -0.01 -0.89 0.01 -0.69 -0.00 0.00 0.00 175.17 173.59 2ijm s VAL 436 N -1.86 4.36 0.08 -1.27 1.01 0.81 -1.81 120.40 121.72 2ijm s VAL 436 Ca 0.68 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.55 2ijm s VAL 436 Cb -0.20 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 2ijm s VAL 436 CO 0.24 0.52 -0.24 -1.00 0.00 0.00 0.00 175.10 174.62 2ijm s HIS 437 N -0.08 2.39 0.65 5.22 3.76 -0.30 -0.25 115.29 126.69 2ijm s HIS 437 Ca 0.04 -0.35 -0.10 0.00 -0.15 0.00 0.00 55.06 54.50 2ijm s HIS 437 Cb -0.13 -1.35 -0.01 0.00 1.11 0.00 0.00 32.58 32.20 2ijm s HIS 437 CO 0.02 0.26 1.03 -1.14 -0.85 0.00 0.00 174.74 174.06 2ijm s GLN 438 N -1.67 3.16 0.00 1.40 0.74 0.07 0.57 119.66 123.93 2ijm s GLN 438 Ca 0.14 0.49 0.00 0.00 0.05 0.00 0.00 55.36 56.04 2ijm s GLN 438 Cb -0.10 -2.09 0.00 0.00 1.10 0.00 0.00 33.01 31.92 2ijm s GLN 438 CO 0.05 -0.79 0.00 0.41 -0.55 0.00 0.00 175.29 174.41 2ijm n GLY 439 N -2.83 -0.60 2.97 2.59 0.00 0.21 0.04 105.19 107.59 2ijm n GLY 439 Ca 0.06 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 2ijm n GLY 439 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2ijm s ILE 440 N -3.16 -0.02 -0.21 -0.61 2.07 -1.08 -1.44 121.20 116.75 2ijm s ILE 440 Ca 0.00 0.09 -0.08 0.00 -1.41 0.00 0.00 60.65 59.25 2ijm s ILE 440 Cb 0.00 -0.23 -0.04 0.00 0.13 0.00 0.00 42.46 42.32 2ijm s ILE 440 CO 0.00 0.04 0.07 -0.47 -1.91 0.00 0.00 174.94 172.67 2ijm s TYR 441 N 0.63 3.21 -0.07 3.50 5.04 -0.16 -2.25 117.35 127.25 2ijm s TYR 441 Ca -0.05 -0.03 -0.00 0.00 -2.44 0.00 0.00 57.07 54.55 2ijm s TYR 441 Cb -0.06 -2.14 0.02 0.00 0.35 0.00 0.00 41.96 40.13 2ijm s TYR 441 CO -0.03 0.01 -0.04 0.00 -1.34 0.00 0.00 175.55 174.15 2ijm s MET 442 N 0.76 0.96 -0.10 4.97 0.23 -0.29 -2.94 119.30 122.90 2ijm s MET 442 Ca 0.04 -0.08 0.03 0.00 -1.03 0.00 0.00 55.69 54.65 2ijm s MET 442 Cb -0.13 -1.10 0.01 0.00 -1.53 0.00 0.00 34.83 32.07 2ijm s MET 442 CO 0.02 -0.20 -0.20 -1.54 -2.03 0.00 0.00 175.02 171.07 2ijm s SER 443 N 1.49 2.73 0.00 -1.18 1.04 -1.26 -4.72 113.70 111.79 2ijm s SER 443 Ca -0.01 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 55.92 2ijm s SER 443 Cb -0.13 -1.25 0.00 0.00 0.10 0.00 0.00 66.02 64.74 2ijm s SER 443 CO -0.04 0.11 0.00 -2.65 0.98 0.00 0.00 173.24 171.64 2ijm n PRO 444 N 3.71 0.00 -4.11 4.02 -0.02 -1.26 -3.76 135.00 133.58 2ijm n PRO 444 Ca -0.20 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 60.95 2ijm n PRO 444 Cb 0.52 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.85 2ijm n PRO 444 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2ijm s GLU 445 N -4.03 2.97 0.00 -0.52 2.56 -1.26 -5.06 118.70 113.37 2ijm s GLU 445 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 54.97 54.13 2ijm s GLU 445 Cb 0.00 -2.61 0.00 0.00 2.00 0.00 0.00 34.13 33.52 2ijm s GLU 445 CO 0.00 -0.23 0.00 0.27 -0.56 0.00 0.00 175.26 174.74 2ijm n ASN 446 N 4.62 0.00 -2.20 -1.70 2.04 -1.25 -5.08 115.26 111.69 2ijm n ASN 446 Ca -0.20 0.00 -0.20 0.00 -0.44 0.00 0.00 54.58 53.74 2ijm n ASN 446 Cb 0.50 0.00 0.01 0.00 -2.53 0.00 0.00 39.78 37.76 2ijm n ASN 446 CO 0.00 0.00 0.00 -2.65 -0.44 0.00 0.00 177.26 174.17 2ijm n PRO 447 N -1.32 0.00 -2.80 -0.53 -0.02 -1.26 -4.79 135.00 124.28 2ijm n PRO 447 Ca 0.00 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.39 2ijm n PRO 447 Cb 0.00 -0.54 0.03 0.00 -0.02 0.00 0.00 33.50 32.98 2ijm n PRO 447 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ijm n ALA 448 N -1.11 -0.65 -2.59 3.55 0.00 -1.25 -4.43 120.51 114.03 2ijm n ALA 448 Ca 0.01 0.09 -0.43 0.00 0.00 0.00 0.00 53.44 53.11 2ijm n ALA 448 Cb 0.28 -2.03 -0.09 0.00 0.00 0.00 0.00 19.45 17.61 2ijm n ALA 448 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2ijm s LEU 449 N -3.65 5.26 0.27 0.00 2.96 -1.15 -5.02 118.68 117.34 2ijm s LEU 449 Ca 0.14 -1.03 -0.30 0.00 -0.22 0.00 0.00 54.13 52.73 2ijm s LEU 449 Cb -0.06 -2.16 -0.10 0.00 0.50 0.00 0.00 46.19 44.36 2ijm s LEU 449 CO 0.30 -0.51 1.48 0.00 -1.32 0.00 0.00 176.35 176.29 2ijm s ALA 450 N 1.67 3.65 0.04 5.97 0.00 -1.26 -0.99 121.76 130.84 2ijm s ALA 450 Ca 0.05 1.40 -0.01 0.00 0.00 0.00 0.00 51.96 53.39 2ijm s ALA 450 Cb -0.21 -3.58 -0.03 0.00 0.00 0.00 0.00 23.12 19.31 2ijm s ALA 450 CO 0.09 -0.81 -0.02 0.14 0.00 0.00 0.00 175.76 175.16 2ijm s VAL 451 N -0.09 0.17 0.05 0.00 -7.23 -0.52 -3.97 120.40 108.81 2ijm s VAL 451 Ca 0.60 -1.39 -0.09 0.00 -1.81 0.00 0.00 61.98 59.29 2ijm s VAL 451 Cb -0.43 -0.97 -0.05 0.00 0.56 0.00 0.00 36.38 35.48 2ijm s VAL 451 CO 0.46 -0.77 0.35 0.00 -0.31 0.00 0.00 175.10 174.82 2ijm s ALA 452 N -2.84 3.77 -0.26 1.32 0.00 -0.51 -0.62 121.76 122.63 2ijm s ALA 452 Ca -0.03 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.48 2ijm s ALA 452 Cb 0.00 -2.19 0.07 0.00 0.00 0.00 0.00 23.12 21.00 2ijm s ALA 452 CO -0.06 0.60 -0.01 0.42 0.00 0.00 0.00 175.76 176.71 2ijm s ILE 453 N -1.35 1.47 -0.15 0.00 1.09 0.19 -1.86 121.20 120.60 2ijm s ILE 453 Ca 0.30 -1.36 -0.27 0.00 -1.10 0.00 0.00 60.65 58.22 2ijm s ILE 453 Cb -0.14 -1.85 -0.01 0.00 -1.06 0.00 0.00 42.46 39.40 2ijm s ILE 453 CO 0.17 -0.26 0.91 -0.54 -0.10 0.00 0.00 174.94 175.12 2ijm s LYS 454 N 1.39 4.35 0.29 2.79 1.02 -0.14 -1.14 119.74 128.29 2ijm s LYS 454 Ca -0.01 1.19 0.07 0.00 0.02 0.00 0.00 55.97 57.23 2ijm s LYS 454 Cb -0.19 -3.56 -0.03 0.00 -0.52 0.00 0.00 37.83 33.53 2ijm s LYS 454 CO -0.09 -0.34 0.32 0.95 -0.92 0.00 0.00 175.35 175.26 2ijm s THR 455 N 2.15 4.35 -0.30 2.17 -4.23 -0.75 -1.37 115.64 117.65 2ijm s THR 455 Ca 0.43 -1.21 -0.03 0.00 -1.18 0.00 0.00 61.69 59.70 2ijm s THR 455 Cb -0.17 -3.46 0.10 0.00 1.34 0.00 0.00 72.50 70.31 2ijm s THR 455 CO 0.14 -0.26 0.13 0.00 -0.54 0.00 0.00 174.62 174.09 2ijm h LYS 457 N 8.18 0.25 -0.67 0.00 2.10 -1.53 -1.70 116.57 123.19 2ijm h LYS 457 Ca -0.16 -0.06 -0.12 0.00 -2.00 0.00 0.00 60.65 58.31 2ijm h LYS 457 Cb 1.01 -0.03 -0.07 0.00 -0.90 0.00 0.00 32.23 32.23 2ijm h LYS 457 CO 0.43 0.40 0.15 0.09 -2.00 0.00 0.00 179.45 178.53 2ijm n ASN 458 N -4.26 5.28 0.19 7.07 5.03 -1.26 -4.70 115.26 122.61 2ijm n ASN 458 Ca -0.01 -3.10 0.16 0.00 0.87 0.00 0.00 54.58 52.50 2ijm n ASN 458 Cb 0.28 -0.72 0.79 0.00 -1.02 0.00 0.00 39.78 39.10 2ijm n ASN 458 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2ijm h THR 460 N 0.00 1.09 -2.55 0.00 1.35 -1.85 -3.37 112.91 107.58 2ijm h THR 460 Ca 0.09 -0.23 -0.55 0.00 -0.55 0.00 0.00 66.41 65.17 2ijm h THR 460 Cb 0.46 0.72 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 2ijm h THR 460 CO -0.00 0.10 1.16 -0.55 -0.25 0.00 0.00 175.52 175.98 2ijm s SER 461 N -6.80 6.43 0.34 5.36 0.15 -0.85 -4.91 113.70 113.42 2ijm s SER 461 Ca -0.07 2.11 0.09 0.00 0.70 0.00 0.00 55.95 58.79 2ijm s SER 461 Cb 0.17 -2.53 0.60 0.00 -1.71 0.00 0.00 66.02 62.55 2ijm s SER 461 CO 0.72 -1.14 1.78 -0.78 1.20 0.00 0.00 173.24 175.01 2ijm h ASP 462 N 10.58 0.15 -0.56 5.45 -0.00 -1.87 -1.77 116.42 128.40 2ijm h ASP 462 Ca -0.40 -0.05 0.09 0.00 -0.00 0.00 0.00 57.03 56.67 2ijm h ASP 462 Cb 1.19 -0.04 -0.07 0.00 -0.00 0.00 0.00 39.33 40.41 2ijm h ASP 462 CO 0.97 0.50 0.18 0.28 -0.00 0.00 0.00 179.24 181.17 2ijm h SER 463 N 0.13 0.15 1.09 2.28 0.02 -1.91 -0.54 113.55 114.77 2ijm h SER 463 Ca 0.01 0.08 -0.17 0.00 -0.84 0.00 0.00 61.79 60.88 2ijm h SER 463 Cb 0.70 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.29 2ijm h SER 463 CO 0.05 0.10 -0.79 -0.37 -1.14 0.00 0.00 176.83 174.68 2ijm h VAL 464 N 0.35 1.41 -0.42 2.27 -1.51 -1.72 -3.07 116.25 113.54 2ijm h VAL 464 Ca 0.28 -2.86 -0.05 0.00 -1.23 0.00 0.00 66.70 62.84 2ijm h VAL 464 Cb 0.36 2.61 -0.02 0.00 -2.13 0.00 0.00 31.29 32.11 2ijm h VAL 464 CO -0.31 0.77 0.05 -0.09 -1.23 0.00 0.00 177.57 176.76 2ijm h ARG 465 N 0.00 0.71 -0.77 5.19 2.43 -0.93 0.10 114.38 121.12 2ijm h ARG 465 Ca -0.01 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 58.90 2ijm h ARG 465 Cb 1.55 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.99 2ijm h ARG 465 CO 0.10 0.76 0.26 1.49 -1.51 0.00 0.00 179.97 181.07 2ijm h GLU 466 N 0.56 1.17 0.00 0.20 4.81 -1.17 0.14 114.58 120.29 2ijm h GLU 466 Ca 0.13 -0.24 -0.14 0.00 -0.13 0.00 0.00 59.36 58.98 2ijm h GLU 466 Cb 0.41 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 2ijm h GLU 466 CO 0.01 0.98 -0.65 0.87 -0.73 0.00 0.00 179.01 179.49 2ijm h LYS 467 N 1.13 0.00 0.09 1.92 1.57 -1.43 -2.69 116.57 117.15 2ijm h LYS 467 Ca 0.25 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2ijm h LYS 467 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 2ijm h LYS 467 CO -0.01 0.65 -0.04 0.35 -0.57 0.00 0.00 179.45 179.83 2ijm h PHE 468 N 0.00 -0.11 0.00 -1.35 3.57 -0.21 -3.30 116.94 115.55 2ijm h PHE 468 Ca -0.01 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2ijm h PHE 468 Cb 1.21 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.98 2ijm h PHE 468 CO 0.00 0.42 0.00 1.28 -2.23 0.00 0.00 178.31 177.78 2ijm n LEU 469 N -4.86 0.43 -0.16 0.59 4.77 0.43 -2.93 117.00 115.27 2ijm n LEU 469 Ca -0.08 0.59 0.06 0.00 -0.03 0.00 0.00 56.01 56.54 2ijm n LEU 469 Cb 0.29 -0.50 0.35 0.00 -2.33 0.00 0.00 43.42 41.23 2ijm n LEU 469 CO 0.29 -0.35 1.21 -0.61 -1.33 0.00 0.00 177.39 176.60 2ijm h GLN 470 N 0.00 0.73 -0.48 3.23 5.75 -1.55 -1.61 115.11 121.18 2ijm h GLN 470 Ca 0.00 -0.04 0.04 0.00 -0.15 0.00 0.00 58.65 58.50 2ijm h GLN 470 Cb 0.41 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.75 2ijm h GLN 470 CO 0.00 0.48 0.24 1.49 -2.65 0.00 0.00 178.83 178.40 2ijm h GLU 471 N 0.75 0.47 -0.38 1.69 4.81 -1.71 -1.95 114.58 118.26 2ijm h GLU 471 Ca 0.29 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.40 2ijm h GLU 471 Cb 0.18 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 2ijm h GLU 471 CO -0.09 0.31 -0.11 0.00 -0.73 0.00 0.00 179.01 178.39 2ijm h ALA 472 N 1.25 0.53 -0.90 2.92 0.00 -1.53 -0.61 119.26 120.93 2ijm h ALA 472 Ca 0.21 -0.32 0.09 0.00 0.00 0.00 0.00 54.91 54.88 2ijm h ALA 472 Cb 0.11 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.69 2ijm h ALA 472 CO -0.14 0.41 0.55 -0.07 0.00 0.00 0.00 179.25 180.00 2ijm h LEU 473 N 0.55 0.82 0.10 0.00 3.38 -1.20 -1.72 115.31 117.25 2ijm h LEU 473 Ca 0.09 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 2ijm h LEU 473 Cb 0.64 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2ijm h LEU 473 CO 0.04 0.48 -0.05 0.74 0.09 0.00 0.00 178.44 179.75 2ijm h THR 474 N 0.93 1.13 -0.94 0.22 2.02 -1.10 -3.20 112.91 111.97 2ijm h THR 474 Ca 0.42 -1.19 0.23 0.00 0.77 0.00 0.00 66.41 66.64 2ijm h THR 474 Cb 0.33 1.85 -0.07 0.00 -1.74 0.00 0.00 68.15 68.52 2ijm h THR 474 CO -0.23 0.27 0.63 0.24 0.37 0.00 0.00 175.52 176.81 2ijm h MET 475 N -0.71 0.33 -0.50 6.66 2.86 -1.03 -2.14 114.93 120.40 2ijm h MET 475 Ca -0.01 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.68 2ijm h MET 475 Cb 0.55 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 32.11 2ijm h MET 475 CO 0.02 0.22 0.33 -0.09 1.06 0.00 0.00 176.91 178.45 2ijm h ARG 476 N 0.34 0.37 0.00 1.72 2.43 -1.30 -2.24 114.38 115.70 2ijm h ARG 476 Ca 0.50 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.64 2ijm h ARG 476 Cb 1.35 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2ijm h ARG 476 CO -0.18 0.24 0.00 1.96 -1.51 0.00 0.00 179.97 180.49 2ijm h GLN 477 N 0.38 0.00 -6.20 0.20 4.20 -1.50 -3.45 115.11 108.74 2ijm h GLN 477 Ca 0.22 0.00 -0.67 0.00 0.06 0.00 0.00 58.65 58.26 2ijm h GLN 477 Cb 0.38 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 28.02 2ijm h GLN 477 CO -0.05 0.00 -0.66 -0.06 -0.67 0.00 0.00 178.83 177.39 2ijm s PHE 478 N -3.37 3.03 -0.31 2.96 2.99 -0.84 -5.08 117.98 117.35 2ijm s PHE 478 Ca 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 56.93 57.01 2ijm s PHE 478 Cb 0.09 -1.65 0.13 0.00 0.00 0.00 0.00 43.02 41.59 2ijm s PHE 478 CO 0.43 0.44 0.25 0.34 -0.00 0.00 0.00 175.22 176.67 2ijm s ASP 479 N -1.56 2.34 -0.13 1.36 3.68 -1.26 -4.91 116.67 116.17 2ijm s ASP 479 Ca 0.19 -1.24 -0.17 0.00 2.13 0.00 0.00 52.55 53.46 2ijm s ASP 479 Cb -0.11 0.13 0.04 0.00 -1.45 0.00 0.00 42.92 41.53 2ijm s ASP 479 CO 0.10 -0.37 0.45 -2.28 0.13 0.00 0.00 175.17 173.20 2ijm s HIS 480 N 1.97 -0.46 0.64 -5.34 2.46 -1.26 -5.05 115.29 108.25 2ijm s HIS 480 Ca 0.12 1.05 0.39 0.00 0.47 0.00 0.00 55.06 57.08 2ijm s HIS 480 Cb -0.16 0.18 2.18 0.00 -0.13 0.00 0.00 32.58 34.65 2ijm s HIS 480 CO -0.25 -0.30 2.30 -1.35 -2.47 0.00 0.00 174.74 172.67 2ijm h PRO 481 N 4.93 0.00 -0.15 2.88 0.11 -2.00 -2.48 132.00 135.29 2ijm h PRO 481 Ca -0.28 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 2ijm h PRO 481 Cb 1.17 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.23 2ijm h PRO 481 CO 0.26 0.00 -0.35 0.72 -0.21 0.00 0.00 178.00 178.42 2ijm n HIS 482 N -3.33 0.46 -4.43 0.65 8.25 -1.26 -4.92 115.22 110.65 2ijm n HIS 482 Ca -0.03 -1.56 -0.23 0.00 -0.26 0.00 0.00 57.72 55.64 2ijm n HIS 482 Cb 0.11 -0.35 -0.16 0.00 1.12 0.00 0.00 29.99 30.71 2ijm n HIS 482 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2ijm s ILE 483 N -3.28 0.93 0.01 1.59 1.01 -0.94 -0.78 121.20 119.74 2ijm s ILE 483 Ca 0.41 -0.35 -0.37 0.00 0.00 0.00 0.00 60.65 60.33 2ijm s ILE 483 Cb 0.39 -0.87 -0.17 0.00 0.01 0.00 0.00 42.46 41.82 2ijm s ILE 483 CO -0.04 0.31 1.42 0.52 0.00 0.00 0.00 174.94 177.15 2ijm n VAL 484 N 3.90 0.06 -3.27 2.92 0.31 0.46 -4.63 118.33 118.09 2ijm n VAL 484 Ca -0.24 -0.01 -0.38 0.00 -0.01 0.00 0.00 64.34 63.70 2ijm n VAL 484 Cb 0.51 -0.90 -0.06 0.00 -0.91 0.00 0.00 33.84 32.49 2ijm n VAL 484 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2ijm s LYS 485 N 1.11 4.28 0.10 5.55 2.20 -1.26 -4.98 119.74 126.74 2ijm s LYS 485 Ca 0.87 0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 56.79 2ijm s LYS 485 Cb -0.98 -3.36 -0.06 0.00 -1.51 0.00 0.00 37.83 31.92 2ijm s LYS 485 CO 0.51 0.32 1.09 -1.17 -0.36 0.00 0.00 175.35 175.74 2ijm s LEU 486 N 0.02 4.43 -0.22 5.43 2.96 -1.26 -1.15 118.68 128.88 2ijm s LEU 486 Ca 0.29 1.94 0.01 0.00 -0.22 0.00 0.00 54.13 56.15 2ijm s LEU 486 Cb -0.17 -3.59 -0.14 0.00 0.50 0.00 0.00 46.19 42.79 2ijm s LEU 486 CO 0.14 -0.29 -0.20 -0.38 -1.32 0.00 0.00 176.35 174.30 2ijm n ILE 487 N 3.23 1.26 -1.21 6.68 5.41 -0.61 -4.89 119.36 129.23 2ijm n ILE 487 Ca 0.05 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.33 2ijm n ILE 487 Cb 0.48 -1.32 0.00 0.00 -0.71 0.00 0.00 39.64 38.09 2ijm n ILE 487 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2ijm n GLY 488 N 2.39 -1.33 3.10 7.39 0.00 -0.62 -4.89 105.19 111.22 2ijm n GLY 488 Ca -0.39 -0.98 -0.15 0.00 0.00 0.00 0.00 46.02 44.50 2ijm n GLY 488 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ijm s VAL 489 N -2.39 0.72 -0.24 1.61 -7.23 -0.60 0.20 120.40 112.47 2ijm s VAL 489 Ca 0.00 -1.17 -0.02 0.00 -1.81 0.00 0.00 61.98 58.98 2ijm s VAL 489 Cb 0.00 -0.77 0.02 0.00 0.56 0.00 0.00 36.38 36.19 2ijm s VAL 489 CO 0.00 -0.34 -0.05 -0.63 -0.31 0.00 0.00 175.10 173.77 2ijm s ILE 490 N -1.39 3.03 -2.86 -0.62 1.09 0.06 -0.53 121.20 119.98 2ijm s ILE 490 Ca -0.07 -0.90 0.24 0.00 -1.10 0.00 0.00 60.65 58.82 2ijm s ILE 490 Cb -0.10 -2.50 0.24 0.00 -1.06 0.00 0.00 42.46 39.04 2ijm s ILE 490 CO 0.01 0.24 1.28 0.35 -0.10 0.00 0.00 174.94 176.72 2ijm n THR 491 N 4.71 0.11 -3.22 2.92 -2.24 -1.26 -1.35 114.28 113.94 2ijm n THR 491 Ca -0.17 -0.56 -0.39 0.00 -2.27 0.00 0.00 64.05 60.67 2ijm n THR 491 Cb 0.48 1.38 -0.06 0.00 -2.10 0.00 0.00 70.33 70.04 2ijm n THR 491 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2ijm s GLU 492 N -1.87 4.28 -0.01 -0.78 2.12 -1.26 -4.84 118.70 116.35 2ijm s GLU 492 Ca 0.30 0.75 -0.25 0.00 0.36 0.00 0.00 54.97 56.13 2ijm s GLU 492 Cb 0.20 -3.30 -0.04 0.00 0.26 0.00 0.00 34.13 31.25 2ijm s GLU 492 CO 0.30 0.47 0.78 0.54 -0.54 0.00 0.00 175.26 176.81 2ijm s ASN 493 N -0.55 7.15 -0.36 -1.70 2.20 -1.26 -2.87 114.94 117.56 2ijm s ASN 493 Ca 0.30 1.39 -0.30 0.00 -0.94 0.00 0.00 52.86 53.31 2ijm s ASN 493 Cb -0.19 -2.47 -0.09 0.00 -2.00 0.00 0.00 41.25 36.51 2ijm s ASN 493 CO 0.18 -0.09 2.28 -0.81 -2.94 0.00 0.00 177.10 175.72 2ijm n PRO 494 N 3.39 1.36 -2.17 3.55 -0.04 -1.26 -5.09 135.00 134.74 2ijm n PRO 494 Ca -0.00 0.31 -0.42 0.00 -0.04 0.00 0.00 63.50 63.35 2ijm n PRO 494 Cb 0.51 -2.91 -0.03 0.00 -0.04 0.00 0.00 33.50 31.03 2ijm n PRO 494 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ijm s VAL 495 N 8.76 3.47 0.06 0.52 1.01 -1.14 -4.87 120.40 128.22 2ijm s VAL 495 Ca 1.05 0.97 0.08 0.00 0.00 0.00 0.00 61.98 64.08 2ijm s VAL 495 Cb -0.54 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.19 2ijm s VAL 495 CO 0.39 0.03 -0.22 0.26 0.00 0.00 0.00 175.10 175.57 2ijm s TRP 496 N 1.86 1.88 -0.18 5.22 0.51 -0.46 -3.35 118.94 124.43 2ijm s TRP 496 Ca 0.65 -0.39 -0.04 0.00 -2.12 0.00 0.00 56.10 54.20 2ijm s TRP 496 Cb -0.35 -1.09 -0.02 0.00 -0.81 0.00 0.00 33.47 31.20 2ijm s TRP 496 CO 0.29 0.14 -0.02 0.42 -0.51 0.00 0.00 176.95 177.26 2ijm s ILE 497 N -0.90 3.87 -0.19 2.03 1.01 -0.47 -0.76 121.20 125.78 2ijm s ILE 497 Ca 0.08 -0.35 -0.06 0.00 0.00 0.00 0.00 60.65 60.31 2ijm s ILE 497 Cb -0.09 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 2ijm s ILE 497 CO 0.03 0.46 0.04 -0.63 0.00 0.00 0.00 174.94 174.83 2ijm s ILE 498 N 0.72 4.41 0.21 2.92 -1.09 0.13 -0.97 121.20 127.53 2ijm s ILE 498 Ca -0.01 -0.16 -0.03 0.00 -2.23 0.00 0.00 60.65 58.22 2ijm s ILE 498 Cb -0.14 -2.99 -0.03 0.00 -1.58 0.00 0.00 42.46 37.71 2ijm s ILE 498 CO 0.02 0.44 0.19 0.00 -1.23 0.00 0.00 174.94 174.36 2ijm s MET 499 N 0.69 1.26 0.15 2.79 0.23 -0.78 -1.58 119.30 122.07 2ijm s MET 499 Ca 0.02 -1.57 -0.34 0.00 -1.03 0.00 0.00 55.69 52.77 2ijm s MET 499 Cb -0.14 0.31 -0.15 0.00 -1.53 0.00 0.00 34.83 33.32 2ijm s MET 499 CO 0.02 -0.44 1.32 -1.91 -2.03 0.00 0.00 175.02 171.99 2ijm n GLU 500 N -0.29 1.44 -3.03 3.16 2.13 -0.30 -1.42 120.64 122.33 2ijm n GLU 500 Ca 0.01 0.52 -0.40 0.00 0.66 0.00 0.00 57.16 57.95 2ijm n GLU 500 Cb 0.65 -2.13 -0.05 0.00 0.27 0.00 0.00 31.44 30.18 2ijm n GLU 500 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 2ijm s LEU 501 N 0.55 4.20 -0.68 4.31 0.20 -1.25 -4.38 118.68 121.63 2ijm s LEU 501 Ca 0.77 1.03 -0.11 0.00 0.69 0.00 0.00 54.13 56.51 2ijm s LEU 501 Cb -0.83 -3.04 0.18 0.00 -0.43 0.00 0.00 46.19 42.07 2ijm s LEU 501 CO 0.48 -0.26 0.58 0.00 -0.29 0.00 0.00 176.35 176.86 2ijm h THR 503 N 5.27 0.67 -0.00 0.00 1.35 -1.76 0.13 112.91 118.57 2ijm h THR 503 Ca -0.03 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 2ijm h THR 503 Cb 1.03 0.32 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 2ijm h THR 503 CO 0.79 0.06 -0.07 0.18 -0.25 0.00 0.00 175.52 176.23 2ijm n LEU 504 N -4.47 0.16 0.00 3.87 4.77 -0.97 -5.03 117.00 115.33 2ijm n LEU 504 Ca 0.18 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2ijm n LEU 504 Cb 0.72 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 2ijm n LEU 504 CO 0.32 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 2ijm n GLY 505 N 1.36 -1.49 3.65 -0.72 0.00 0.03 -4.74 105.19 103.28 2ijm n GLY 505 Ca 0.11 -1.31 -0.46 0.00 0.00 0.00 0.00 46.02 44.36 2ijm n GLY 505 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2ijm n GLU 506 N -0.03 1.90 -0.20 1.61 2.13 -1.26 -0.79 120.64 124.00 2ijm n GLU 506 Ca 0.00 0.68 -0.02 0.00 0.66 0.00 0.00 57.16 58.48 2ijm n GLU 506 Cb 0.00 -2.36 0.08 0.00 0.27 0.00 0.00 31.44 29.43 2ijm n GLU 506 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2ijm h LEU 507 N 4.83 0.39 -0.11 4.31 5.85 -0.77 -2.80 115.31 127.02 2ijm h LEU 507 Ca -0.45 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.35 2ijm h LEU 507 Cb 1.28 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.22 2ijm h LEU 507 CO 0.80 0.26 -0.41 0.03 -0.34 0.00 0.00 178.44 178.78 2ijm h ARG 508 N 0.54 -0.48 -0.23 1.25 2.47 -1.82 -0.68 114.38 115.43 2ijm h ARG 508 Ca 0.27 0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 59.02 2ijm h ARG 508 Cb 0.21 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 2ijm h ARG 508 CO -0.20 -0.32 0.12 0.77 0.56 0.00 0.00 179.97 180.91 2ijm h SER 509 N -0.49 0.28 -0.92 7.04 0.02 -1.90 -0.70 113.55 116.88 2ijm h SER 509 Ca 0.07 -0.08 0.23 0.00 -0.84 0.00 0.00 61.79 61.17 2ijm h SER 509 Cb 0.62 -0.07 -0.06 0.00 0.14 0.00 0.00 62.40 63.03 2ijm h SER 509 CO -0.38 0.29 0.62 0.15 -1.14 0.00 0.00 176.83 176.37 2ijm h PHE 510 N 0.26 0.38 0.20 3.45 3.57 -1.22 0.35 116.94 123.93 2ijm h PHE 510 Ca 0.08 0.01 -0.32 0.00 3.53 0.00 0.00 57.97 61.27 2ijm h PHE 510 Cb 0.06 -0.11 0.02 0.00 2.79 0.00 0.00 35.95 38.71 2ijm h PHE 510 CO -0.04 0.08 -1.49 -0.07 -2.23 0.00 0.00 178.31 174.57 2ijm h LEU 511 N 0.27 0.67 -0.46 0.59 3.38 -0.29 -2.70 115.31 116.76 2ijm h LEU 511 Ca 0.47 -0.78 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 2ijm h LEU 511 Cb 1.40 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.92 2ijm h LEU 511 CO -0.14 1.62 0.07 1.56 0.09 0.00 0.00 178.44 181.65 2ijm h GLN 512 N 0.12 0.75 -0.27 1.13 4.20 -0.20 -1.88 115.11 118.97 2ijm h GLN 512 Ca -0.25 -0.20 -0.10 0.00 0.06 0.00 0.00 58.65 58.16 2ijm h GLN 512 Cb 2.10 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.79 2ijm h GLN 512 CO 0.23 0.77 -0.23 0.28 -0.67 0.00 0.00 178.83 179.21 2ijm h VAL 513 N 0.62 1.31 -0.69 -0.54 2.07 -1.09 -3.16 116.25 114.77 2ijm h VAL 513 Ca 0.14 -1.38 -0.30 0.00 0.82 0.00 0.00 66.70 65.98 2ijm h VAL 513 Cb 0.38 1.60 -0.18 0.00 -1.52 0.00 0.00 31.29 31.58 2ijm h VAL 513 CO 0.01 0.44 0.38 0.54 0.02 0.00 0.00 177.57 178.95 2ijm n ARG 514 N -4.34 2.53 -0.32 1.57 1.74 -1.02 -4.64 116.66 112.19 2ijm n ARG 514 Ca -0.04 -2.38 0.17 0.00 -0.77 0.00 0.00 57.85 54.83 2ijm n ARG 514 Cb 0.43 -1.97 0.34 0.00 -1.02 0.00 0.00 32.46 30.24 2ijm n ARG 514 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2ijm h LYS 515 N 1.41 0.12 -0.25 5.56 3.64 -1.30 -1.85 116.57 123.89 2ijm h LYS 515 Ca 0.37 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.74 2ijm h LYS 515 Cb 2.25 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 34.05 2ijm h LYS 515 CO 0.74 0.08 0.00 0.66 -2.27 0.00 0.00 179.45 178.65 2ijm n TYR 516 N -5.31 0.33 0.40 1.91 4.01 -1.26 -4.50 117.16 112.75 2ijm n TYR 516 Ca 0.25 -0.43 0.05 0.00 -0.16 0.00 0.00 57.90 57.60 2ijm n TYR 516 Cb 0.80 -0.03 -0.06 0.00 -0.31 0.00 0.00 39.34 39.75 2ijm n TYR 516 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 2ijm n SER 517 N 0.36 0.67 -4.57 7.72 3.41 -0.76 -4.97 113.62 115.48 2ijm n SER 517 Ca 0.09 -0.65 -0.39 0.00 -0.26 0.00 0.00 58.87 57.66 2ijm n SER 517 Cb 0.37 1.04 -0.11 0.00 -0.26 0.00 0.00 64.21 65.26 2ijm n SER 517 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2ijm s LEU 518 N -2.57 4.14 0.80 1.04 1.43 -0.79 -5.08 118.68 117.65 2ijm s LEU 518 Ca 0.03 -0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 2ijm s LEU 518 Cb 0.07 -2.12 0.08 0.00 0.03 0.00 0.00 46.19 44.25 2ijm s LEU 518 CO 0.39 -0.10 1.20 1.51 0.23 0.00 0.00 176.35 179.58 2ijm s ASP 519 N 1.75 3.63 0.29 2.29 3.84 -1.26 -4.92 116.67 122.29 2ijm s ASP 519 Ca 0.07 2.35 -0.02 0.00 -0.00 0.00 0.00 52.55 54.95 2ijm s ASP 519 Cb -0.16 -2.59 0.43 0.00 -1.38 0.00 0.00 42.92 39.22 2ijm s ASP 519 CO 0.11 -2.64 1.93 0.25 -0.00 0.00 0.00 175.17 174.82 2ijm h LEU 520 N -0.89 0.99 -1.07 2.11 5.85 -1.98 -2.33 115.31 117.99 2ijm h LEU 520 Ca -0.46 -0.01 0.16 0.00 0.84 0.00 0.00 57.88 58.41 2ijm h LEU 520 Cb 1.29 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 42.00 2ijm h LEU 520 CO 0.46 0.69 0.62 0.00 -0.34 0.00 0.00 178.44 179.87 2ijm h ALA 521 N 1.46 1.68 -0.17 1.25 0.00 -1.92 -1.23 119.26 120.33 2ijm h ALA 521 Ca 0.36 0.05 -0.18 0.00 0.00 0.00 0.00 54.91 55.14 2ijm h ALA 521 Cb -0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2ijm h ALA 521 CO -0.11 0.01 -0.61 0.77 0.00 0.00 0.00 179.25 179.31 2ijm h SER 522 N 0.81 0.68 -0.32 0.00 0.02 -1.79 -1.92 113.55 111.04 2ijm h SER 522 Ca 0.53 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2ijm h SER 522 Cb 0.76 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 2ijm h SER 522 CO -0.31 1.13 0.17 -0.07 -1.14 0.00 0.00 176.83 176.61 2ijm h LEU 523 N 0.44 0.39 -0.82 5.07 3.38 -1.09 -1.31 115.31 121.38 2ijm h LEU 523 Ca -0.01 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 2ijm h LEU 523 Cb 1.18 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2ijm h LEU 523 CO 0.12 0.36 -0.41 0.40 0.09 0.00 0.00 178.44 179.00 2ijm h ILE 524 N 0.39 1.31 -0.74 1.22 2.04 -1.37 -1.71 117.51 118.65 2ijm h ILE 524 Ca 0.11 -1.55 -0.04 0.00 1.00 0.00 0.00 64.86 64.38 2ijm h ILE 524 Cb 0.06 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2ijm h ILE 524 CO -0.02 0.47 0.29 0.25 0.00 0.00 0.00 178.15 179.15 2ijm h LEU 525 N 0.31 1.00 -0.26 1.44 5.85 -1.06 0.41 115.31 123.00 2ijm h LEU 525 Ca 0.03 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.57 2ijm h LEU 525 Cb 0.86 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2ijm h LEU 525 CO 0.07 0.89 0.03 1.88 -0.34 0.00 0.00 178.44 180.98 2ijm h TYR 526 N 1.07 0.47 -0.26 1.25 0.99 -0.73 0.33 116.97 120.10 2ijm h TYR 526 Ca 0.25 -0.07 0.05 0.00 2.00 0.00 0.00 58.73 60.96 2ijm h TYR 526 Cb 0.20 -0.13 -0.05 0.00 1.00 0.00 0.00 36.73 37.75 2ijm h TYR 526 CO 0.02 0.56 -0.09 0.00 -0.00 0.00 0.00 178.16 178.65 2ijm h ALA 527 N 0.85 0.13 -0.07 3.88 0.00 -1.01 -1.51 119.26 121.53 2ijm h ALA 527 Ca 0.08 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2ijm h ALA 527 Cb 0.35 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2ijm h ALA 527 CO 0.01 -0.50 0.03 -0.92 0.00 0.00 0.00 179.25 177.87 2ijm h TYR 528 N -0.05 0.06 -0.96 0.00 5.03 0.05 -1.04 116.97 120.06 2ijm h TYR 528 Ca 0.13 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.50 2ijm h TYR 528 Cb 0.24 -0.02 -0.06 0.00 1.55 0.00 0.00 36.73 38.44 2ijm h TYR 528 CO -0.28 0.04 0.63 1.96 -1.32 0.00 0.00 178.16 179.18 2ijm h GLN 529 N 0.07 1.10 -0.04 1.82 4.20 -0.17 -1.79 115.11 120.29 2ijm h GLN 529 Ca 0.03 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.54 2ijm h GLN 529 Cb 0.01 -0.25 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 2ijm h GLN 529 CO -0.02 0.73 -0.56 -0.07 -0.67 0.00 0.00 178.83 178.23 2ijm h LEU 530 N 1.13 0.13 -1.54 1.46 3.38 -1.03 -2.61 115.31 116.24 2ijm h LEU 530 Ca 0.41 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.26 2ijm h LEU 530 Cb 0.16 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2ijm h LEU 530 CO -0.16 0.67 -0.24 0.77 0.09 0.00 0.00 178.44 179.58 2ijm h SER 531 N 0.09 0.00 -0.14 -0.43 4.64 -0.38 -0.79 113.55 116.55 2ijm h SER 531 Ca -0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 2ijm h SER 531 Cb 1.02 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.12 2ijm h SER 531 CO 0.08 0.24 -0.56 0.71 -0.87 0.00 0.00 176.83 176.43 2ijm h THR 532 N 0.00 1.33 -0.84 2.95 1.35 -1.07 0.24 112.91 116.87 2ijm h THR 532 Ca -0.00 -1.83 -0.01 0.00 -0.55 0.00 0.00 66.41 64.02 2ijm h THR 532 Cb 0.46 2.07 -0.04 0.00 -1.73 0.00 0.00 68.15 68.90 2ijm h THR 532 CO 0.03 0.56 0.50 0.00 -0.25 0.00 0.00 175.52 176.36 2ijm h ALA 533 N 0.52 1.07 0.06 6.62 0.00 -1.21 -2.04 119.26 124.27 2ijm h ALA 533 Ca -0.03 -0.10 -0.24 0.00 0.00 0.00 0.00 54.91 54.54 2ijm h ALA 533 Cb 1.20 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2ijm h ALA 533 CO 0.12 0.54 -1.06 -0.07 0.00 0.00 0.00 179.25 178.78 2ijm h LEU 534 N 1.15 0.43 -0.72 0.00 3.38 -1.08 -0.74 115.31 117.73 2ijm h LEU 534 Ca 0.30 -0.39 0.07 0.00 0.09 0.00 0.00 57.88 57.94 2ijm h LEU 534 Cb -0.04 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.52 2ijm h LEU 534 CO -0.06 1.24 0.41 0.00 0.09 0.00 0.00 178.44 180.12 2ijm h ALA 535 N 0.72 0.98 -0.25 1.53 0.00 -0.94 0.24 119.26 121.54 2ijm h ALA 535 Ca -0.09 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2ijm h ALA 535 Cb 1.73 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 2ijm h ALA 535 CO 0.17 0.09 0.09 -0.92 0.00 0.00 0.00 179.25 178.69 2ijm h TYR 536 N 0.74 0.39 -0.70 0.00 3.20 -1.05 -0.27 116.97 119.28 2ijm h TYR 536 Ca 0.33 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.12 2ijm h TYR 536 Cb 0.21 -0.12 -0.03 0.00 1.54 0.00 0.00 36.73 38.34 2ijm h TYR 536 CO -0.07 0.42 0.27 -0.07 -1.64 0.00 0.00 178.16 177.07 2ijm h LEU 537 N 0.25 0.97 -0.94 2.82 3.38 -0.87 -2.15 115.31 118.78 2ijm h LEU 537 Ca 0.08 -0.18 0.09 0.00 0.09 0.00 0.00 57.88 57.97 2ijm h LEU 537 Cb 0.20 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 2ijm h LEU 537 CO -0.01 0.88 0.58 -0.08 0.09 0.00 0.00 178.44 179.91 2ijm h GLU 538 N 1.00 0.95 0.00 1.13 4.81 -0.34 -0.96 114.58 121.16 2ijm h GLU 538 Ca 0.23 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 2ijm h GLU 538 Cb 0.22 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.39 2ijm h GLU 538 CO -0.02 0.63 -0.10 0.66 -0.73 0.00 0.00 179.01 179.45 2ijm h SER 539 N 0.98 0.00 -0.27 1.04 4.64 -0.41 -0.93 113.55 118.60 2ijm h SER 539 Ca 0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.76 2ijm h SER 539 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 2ijm h SER 539 CO -0.23 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.12 2ijm n LYS 540 N -4.08 2.06 -3.21 4.77 4.76 -0.47 -4.95 118.16 117.04 2ijm n LYS 540 Ca -0.02 -1.60 -0.23 0.00 -2.87 0.00 0.00 58.31 53.58 2ijm n LYS 540 Cb 0.18 -1.44 0.03 0.00 -1.84 0.00 0.00 35.03 31.97 2ijm n LYS 540 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2ijm n ARG 541 N 0.82 -4.89 -3.69 1.97 1.74 -0.36 -4.97 116.66 107.29 2ijm n ARG 541 Ca 0.17 0.78 -0.36 0.00 -0.77 0.00 0.00 57.85 57.67 2ijm n ARG 541 Cb 0.44 -5.63 -0.09 0.00 -1.02 0.00 0.00 32.46 26.16 2ijm n ARG 541 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2ijm s PHE 542 N -3.14 3.32 -0.27 -1.55 5.36 -0.56 -5.02 117.98 116.12 2ijm s PHE 542 Ca 0.38 0.22 -0.09 0.00 -0.96 0.00 0.00 56.93 56.48 2ijm s PHE 542 Cb -0.18 -2.24 -0.04 0.00 -0.34 0.00 0.00 43.02 40.22 2ijm s PHE 542 CO 0.46 0.10 0.13 0.08 -1.46 0.00 0.00 175.22 174.54 2ijm s VAL 543 N 0.92 4.80 -0.08 3.12 1.01 -1.26 -4.27 120.40 124.64 2ijm s VAL 543 Ca 0.07 -0.03 -0.25 0.00 0.00 0.00 0.00 61.98 61.77 2ijm s VAL 543 Cb -0.13 -3.28 -0.26 0.00 0.00 0.00 0.00 36.38 32.71 2ijm s VAL 543 CO 0.03 0.28 0.93 -0.74 0.00 0.00 0.00 175.10 175.60 2ijm h HIS 544 N 8.31 0.24 0.00 5.22 2.76 -1.98 -3.48 115.15 126.22 2ijm h HIS 544 Ca -0.36 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 57.66 2ijm h HIS 544 Cb 1.18 -0.02 0.00 0.00 1.55 0.00 0.00 27.41 30.12 2ijm h HIS 544 CO 0.71 1.03 0.00 0.54 -1.30 0.00 0.00 177.93 178.91 2ijm n ARG 545 N -4.46 0.00 -3.15 5.26 1.74 -1.26 -4.88 116.66 109.90 2ijm n ARG 545 Ca -0.11 0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.76 2ijm n ARG 545 Cb 0.56 -0.44 -0.06 0.00 -1.02 0.00 0.00 32.46 31.51 2ijm n ARG 545 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2ijm n ASP 546 N 0.06 -0.52 -4.58 0.55 4.64 -1.26 -5.04 116.55 110.40 2ijm n ASP 546 Ca 0.00 -2.72 -0.42 0.00 -1.38 0.00 0.00 54.79 50.28 2ijm n ASP 546 Cb 0.00 -0.20 -0.06 0.00 -1.04 0.00 0.00 41.12 39.82 2ijm n ASP 546 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2ijm s ILE 547 N -0.60 4.86 -0.12 5.18 1.01 -1.26 -4.84 121.20 125.42 2ijm s ILE 547 Ca 0.34 0.75 -0.29 0.00 0.00 0.00 0.00 60.65 61.45 2ijm s ILE 547 Cb 0.14 -4.10 0.07 0.00 0.01 0.00 0.00 42.46 38.59 2ijm s ILE 547 CO -0.14 -0.30 0.72 0.00 0.00 0.00 0.00 174.94 175.21 2ijm s ALA 548 N 2.80 -1.79 0.33 9.38 0.00 -1.26 -4.43 121.76 126.79 2ijm s ALA 548 Ca 0.27 1.54 0.07 0.00 0.00 0.00 0.00 51.96 53.83 2ijm s ALA 548 Cb -0.14 -0.39 0.74 0.00 0.00 0.00 0.00 23.12 23.32 2ijm s ALA 548 CO 0.14 -0.35 1.84 0.00 0.00 0.00 0.00 175.76 177.39 2ijm h ALA 549 N 3.54 1.73 -0.02 0.00 0.00 -1.92 -0.14 119.26 122.46 2ijm h ALA 549 Ca -0.27 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.67 2ijm h ALA 549 Cb 1.15 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2ijm h ALA 549 CO 0.29 0.00 0.23 0.07 0.00 0.00 0.00 179.25 179.84 2ijm h ARG 550 N 0.78 0.00 -0.57 0.00 0.11 -1.96 -1.16 114.38 111.57 2ijm h ARG 550 Ca 0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.57 2ijm h ARG 550 Cb 0.70 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.78 2ijm h ARG 550 CO -0.25 0.00 0.00 0.09 0.10 0.00 0.00 179.97 179.91 2ijm n ASN 551 N -3.00 3.65 -4.60 0.08 3.02 -0.07 -4.82 115.26 109.52 2ijm n ASN 551 Ca -0.02 -1.98 -0.34 0.00 -0.03 0.00 0.00 54.58 52.20 2ijm n ASN 551 Cb 0.29 -0.38 -0.11 0.00 -0.61 0.00 0.00 39.78 38.98 2ijm n ASN 551 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2ijm s VAL 552 N -1.13 4.05 0.19 2.41 1.01 -0.44 -1.25 120.40 125.24 2ijm s VAL 552 Ca 0.42 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 62.14 2ijm s VAL 552 Cb 0.23 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2ijm s VAL 552 CO 0.30 0.57 0.05 -0.76 0.00 0.00 0.00 175.10 175.26 2ijm s LEU 553 N -0.46 3.48 -0.19 3.92 1.43 0.11 -0.25 118.68 126.71 2ijm s LEU 553 Ca 0.08 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.81 2ijm s LEU 553 Cb -0.12 -2.09 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 2ijm s LEU 553 CO 0.02 0.06 -0.09 -0.69 0.23 0.00 0.00 176.35 175.88 2ijm s VAL 554 N -1.85 3.11 -0.21 -1.59 1.01 0.03 -0.21 120.40 120.68 2ijm s VAL 554 Ca 0.29 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.51 2ijm s VAL 554 Cb -0.09 -2.38 -0.18 0.00 0.00 0.00 0.00 36.38 33.73 2ijm s VAL 554 CO 0.21 0.47 0.09 -0.24 0.00 0.00 0.00 175.10 175.63 2ijm n SER 555 N 4.41 1.92 -3.40 3.32 2.88 0.13 -2.30 113.62 120.59 2ijm n SER 555 Ca -0.19 0.35 -0.15 0.00 -1.33 0.00 0.00 58.87 57.56 2ijm n SER 555 Cb 0.51 -0.90 -0.05 0.00 -0.75 0.00 0.00 64.21 63.02 2ijm n SER 555 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2ijm s SER 556 N -7.01 0.86 0.36 -3.46 1.04 -0.94 -4.36 113.70 100.19 2ijm s SER 556 Ca -0.30 -1.46 0.27 0.00 0.48 0.00 0.00 55.95 54.93 2ijm s SER 556 Cb 0.08 0.62 1.24 0.00 0.10 0.00 0.00 66.02 68.07 2ijm s SER 556 CO 0.59 -1.22 1.80 0.78 0.98 0.00 0.00 173.24 176.17 2ijm h ASN 557 N 2.16 0.00 -0.09 7.02 4.21 -2.04 -2.13 115.58 124.72 2ijm h ASN 557 Ca -0.28 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.20 2ijm h ASN 557 Cb 1.24 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.43 2ijm h ASN 557 CO 0.39 0.00 -0.15 -0.90 -1.29 0.00 0.00 177.43 175.49 2ijm n ASP 558 N -2.45 2.44 -3.63 5.81 5.68 -1.26 -5.00 116.55 118.13 2ijm n ASP 558 Ca 0.00 -3.39 -0.07 0.00 -0.50 0.00 0.00 54.79 50.83 2ijm n ASP 558 Cb 0.16 -0.50 -0.08 0.00 -1.14 0.00 0.00 41.12 39.56 2ijm n ASP 558 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2ijm s VAL 560 N 2.66 2.38 -0.03 0.00 0.11 -1.26 0.20 120.40 124.47 2ijm s VAL 560 Ca -0.01 -1.63 -0.01 0.00 -2.93 0.00 0.00 61.98 57.39 2ijm s VAL 560 Cb -0.12 -2.04 0.02 0.00 -1.53 0.00 0.00 36.38 32.70 2ijm s VAL 560 CO -0.14 0.14 0.06 -0.54 -3.33 0.00 0.00 175.10 171.29 2ijm s LYS 561 N -1.93 0.03 0.28 1.54 1.02 0.70 -4.68 119.74 116.71 2ijm s LYS 561 Ca 0.14 0.16 -0.29 0.00 0.02 0.00 0.00 55.97 56.01 2ijm s LYS 561 Cb -0.10 -0.10 -0.10 0.00 -0.52 0.00 0.00 37.83 37.01 2ijm s LYS 561 CO 0.06 -0.09 1.28 -1.17 -0.92 0.00 0.00 175.35 174.52 2ijm s LEU 562 N 0.58 4.44 0.00 3.17 0.20 0.04 0.05 118.68 127.16 2ijm s LEU 562 Ca -0.05 2.54 0.00 0.00 0.69 0.00 0.00 54.13 57.32 2ijm s LEU 562 Cb -0.07 -3.63 0.00 0.00 -0.43 0.00 0.00 46.19 42.06 2ijm s LEU 562 CO -0.02 -0.48 0.00 0.61 -0.29 0.00 0.00 176.35 176.17 2ijm n GLY 563 N 1.40 0.96 3.36 7.98 0.00 -0.38 -0.40 105.19 118.11 2ijm n GLY 563 Ca 0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.58 2ijm n GLY 563 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ijm s ASP 564 N -0.50 6.60 0.18 1.61 2.15 -1.24 -4.93 116.67 120.54 2ijm s ASP 564 Ca 0.00 -2.27 0.09 0.00 0.43 0.00 0.00 52.55 50.80 2ijm s ASP 564 Cb 0.00 -2.27 -0.04 0.00 -0.30 0.00 0.00 42.92 40.31 2ijm s ASP 564 CO 0.00 -0.80 -0.11 -0.36 -0.17 0.00 0.00 175.17 173.73 2ijm s PHE 565 N 1.28 2.59 0.00 -5.34 0.40 -1.26 -4.57 117.98 111.09 2ijm s PHE 565 Ca 0.19 -0.24 0.00 0.00 -0.60 0.00 0.00 56.93 56.29 2ijm s PHE 565 Cb -0.13 -1.27 0.00 0.00 0.51 0.00 0.00 43.02 42.14 2ijm s PHE 565 CO -0.06 0.51 0.00 0.41 0.70 0.00 0.00 175.22 176.78 2ijm n GLY 566 N 0.07 2.18 7.00 4.36 0.00 -1.26 -4.63 105.19 112.91 2ijm n GLY 566 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2ijm n GLY 566 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ijm n LEU 567 N 0.00 0.00 0.00 0.99 7.99 -1.26 -4.94 117.00 119.77 2ijm n LEU 567 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2ijm n LEU 567 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2ijm n LEU 567 CO 0.00 -0.28 0.00 -1.54 -1.51 0.00 0.00 177.39 174.06 2ijm n SER 568 N -2.47 0.00 0.00 -1.43 3.41 -1.26 -5.08 113.62 106.79 2ijm n SER 568 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2ijm n SER 568 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2ijm n SER 568 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 2ijm n LEU 584 N 0.00 0.00 -2.65 1.04 0.00 -1.26 -5.08 117.00 109.05 2ijm n LEU 584 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 56.01 55.88 2ijm n LEU 584 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.36 2ijm n LEU 584 CO 0.00 0.00 1.66 -0.81 0.00 0.00 0.00 177.39 178.24 2ijm n PRO 585 N 0.00 1.52 -0.31 1.96 -0.04 -1.26 -4.67 135.00 132.21 2ijm n PRO 585 Ca 0.00 -0.95 0.11 0.00 -0.04 0.00 0.00 63.50 62.62 2ijm n PRO 585 Cb 0.00 -2.07 0.28 0.00 -0.04 0.00 0.00 33.50 31.67 2ijm n PRO 585 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2ijm h ILE 586 N 2.90 0.59 0.00 0.52 1.08 -1.97 -1.84 117.51 118.79 2ijm h ILE 586 Ca 0.28 -0.18 0.00 0.00 -0.39 0.00 0.00 64.86 64.57 2ijm h ILE 586 Cb 0.53 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.30 2ijm h ILE 586 CO 0.84 0.09 0.00 0.29 -0.69 0.00 0.00 178.15 178.68 2ijm n LYS 587 N -4.95 0.20 -0.00 2.37 5.02 -1.26 -2.22 118.16 117.31 2ijm n LYS 587 Ca 0.21 0.39 0.11 0.00 -2.02 0.00 0.00 58.31 56.99 2ijm n LYS 587 Cb 0.57 -1.85 -0.15 0.00 -0.02 0.00 0.00 35.03 33.58 2ijm n LYS 587 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2ijm n TRP 588 N -2.22 0.04 -3.08 2.13 8.01 -0.71 -4.91 117.44 116.71 2ijm n TRP 588 Ca 0.03 0.01 -0.34 0.00 -1.31 0.00 0.00 57.50 55.89 2ijm n TRP 588 Cb 0.25 -0.46 -0.06 0.00 -2.01 0.00 0.00 31.31 29.04 2ijm n TRP 588 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 2ijm s MET 589 N -3.45 4.14 0.48 -0.99 -1.94 -0.94 -3.97 119.30 112.63 2ijm s MET 589 Ca -0.06 0.81 -0.22 0.00 -1.71 0.00 0.00 55.69 54.51 2ijm s MET 589 Cb 0.14 -2.59 -0.07 0.00 2.01 0.00 0.00 34.83 34.32 2ijm s MET 589 CO 0.90 0.23 1.15 0.00 -0.01 0.00 0.00 175.02 177.29 2ijm s ALA 590 N -1.81 2.91 0.19 3.03 0.00 -1.26 -4.87 121.76 119.95 2ijm s ALA 590 Ca 0.51 0.90 -0.21 0.00 0.00 0.00 0.00 51.96 53.15 2ijm s ALA 590 Cb -0.13 -3.37 0.13 0.00 0.00 0.00 0.00 23.12 19.75 2ijm s ALA 590 CO 0.19 -0.67 1.58 -1.35 0.00 0.00 0.00 175.76 175.51 2ijm h PRO 591 N 1.86 -0.13 -0.16 0.00 0.11 -1.95 0.67 132.00 132.38 2ijm h PRO 591 Ca -0.49 0.01 0.05 0.00 0.11 0.00 0.00 66.00 65.67 2ijm h PRO 591 Cb 1.25 0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2ijm h PRO 591 CO 0.59 -0.09 0.18 1.05 -0.21 0.00 0.00 178.00 179.53 2ijm h GLU 592 N -0.14 0.00 -0.03 1.05 9.09 -1.90 -0.17 114.58 122.48 2ijm h GLU 592 Ca 0.24 0.00 -0.24 0.00 0.05 0.00 0.00 59.36 59.41 2ijm h GLU 592 Cb 0.56 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.67 2ijm h GLU 592 CO -0.74 0.00 -0.95 0.77 0.05 0.00 0.00 179.01 178.14 2ijm h SER 593 N 0.00 0.79 0.24 3.06 0.02 -0.86 -0.94 113.55 115.86 2ijm h SER 593 Ca 0.08 -0.60 -0.01 0.00 -0.84 0.00 0.00 61.79 60.41 2ijm h SER 593 Cb 0.44 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2ijm h SER 593 CO -0.00 1.40 -0.11 0.40 -1.14 0.00 0.00 176.83 177.37 2ijm h ILE 594 N 0.37 0.70 0.23 3.27 2.04 -0.79 -2.66 117.51 120.67 2ijm h ILE 594 Ca -0.10 -0.90 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 2ijm h ILE 594 Cb 1.59 1.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 2ijm h ILE 594 CO 0.18 0.16 -0.11 0.78 0.00 0.00 0.00 178.15 179.16 2ijm h ASN 595 N -0.87 -0.26 -0.26 1.72 2.35 -1.22 -3.37 115.58 113.66 2ijm h ASN 595 Ca -0.03 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2ijm h ASN 595 Cb 0.51 0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.95 2ijm h ASN 595 CO 0.05 -0.12 0.00 0.49 -1.65 0.00 0.00 177.43 176.21 2ijm n PHE 596 N -3.23 0.33 -1.54 1.19 0.99 -0.43 -4.94 117.46 109.83 2ijm n PHE 596 Ca -0.04 -0.16 -0.19 0.00 -0.00 0.00 0.00 57.45 57.06 2ijm n PHE 596 Cb 0.12 0.00 -0.08 0.00 -1.00 0.00 0.00 39.48 38.52 2ijm n PHE 596 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2ijm n ARG 597 N 1.31 -1.44 -2.63 -1.08 1.74 -0.94 -4.95 116.66 108.66 2ijm n ARG 597 Ca 0.18 1.16 -0.43 0.00 -0.77 0.00 0.00 57.85 57.98 2ijm n ARG 597 Cb 0.57 -5.52 -0.02 0.00 -1.02 0.00 0.00 32.46 26.47 2ijm n ARG 597 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ijm s ARG 598 N -3.58 4.26 -0.21 5.56 1.81 -0.74 -4.90 118.95 121.16 2ijm s ARG 598 Ca 0.00 1.40 0.00 0.00 -1.72 0.00 0.00 55.73 55.41 2ijm s ARG 598 Cb 0.00 -3.65 0.02 0.00 -0.45 0.00 0.00 34.95 30.87 2ijm s ARG 598 CO 0.00 -0.63 -0.14 -0.06 -0.68 0.00 0.00 175.30 173.80 2ijm s PHE 599 N 3.19 2.93 0.27 -0.53 0.40 -1.26 -3.27 117.98 119.70 2ijm s PHE 599 Ca 0.45 -1.61 0.02 0.00 -0.60 0.00 0.00 56.93 55.19 2ijm s PHE 599 Cb -0.16 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.36 2ijm s PHE 599 CO 0.07 -0.76 0.17 0.95 0.70 0.00 0.00 175.22 176.35 2ijm s THR 600 N 1.30 0.15 0.23 0.64 -4.23 -1.26 -5.00 115.64 107.46 2ijm s THR 600 Ca 0.02 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.47 2ijm s THR 600 Cb -0.15 -2.51 0.18 0.00 1.34 0.00 0.00 72.50 71.36 2ijm s THR 600 CO -0.09 0.00 1.78 0.77 -0.54 0.00 0.00 174.62 176.54 2ijm h SER 601 N 2.36 0.49 -0.02 3.99 4.64 -1.98 -1.86 113.55 121.17 2ijm h SER 601 Ca -0.33 0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 2ijm h SER 601 Cb 1.25 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 63.30 2ijm h SER 601 CO 0.49 0.28 -0.03 0.00 -0.87 0.00 0.00 176.83 176.70 2ijm h ALA 602 N 1.44 1.74 0.00 5.18 0.00 -1.92 -2.50 119.26 123.20 2ijm h ALA 602 Ca 0.36 -0.10 -0.20 0.00 0.00 0.00 0.00 54.91 54.97 2ijm h ALA 602 Cb 0.38 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2ijm h ALA 602 CO -0.27 0.20 -0.88 0.66 0.00 0.00 0.00 179.25 178.96 2ijm h SER 603 N 0.16 0.26 -0.71 0.00 4.64 -1.73 -2.81 113.55 113.37 2ijm h SER 603 Ca 0.04 -0.21 0.01 0.00 -0.47 0.00 0.00 61.79 61.15 2ijm h SER 603 Cb 0.17 -0.08 -0.04 0.00 -0.31 0.00 0.00 62.40 62.14 2ijm h SER 603 CO 0.01 1.02 0.47 0.44 -0.87 0.00 0.00 176.83 177.89 2ijm h ASP 604 N 0.11 0.81 -0.42 4.97 3.32 -0.98 -2.08 116.42 122.16 2ijm h ASP 604 Ca -0.04 -0.02 -0.06 0.00 0.02 0.00 0.00 57.03 56.93 2ijm h ASP 604 Cb 1.50 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 2ijm h ASP 604 CO 0.13 0.59 0.03 0.58 -1.72 0.00 0.00 179.24 178.86 2ijm h VAL 605 N 0.96 1.25 -0.34 -1.35 2.07 -1.25 0.29 116.25 117.88 2ijm h VAL 605 Ca 0.26 -0.95 0.08 0.00 0.82 0.00 0.00 66.70 66.91 2ijm h VAL 605 Cb -0.11 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 30.64 2ijm h VAL 605 CO -0.06 0.32 -0.20 -0.25 0.02 0.00 0.00 177.57 177.41 2ijm h TRP 606 N 0.55 -0.50 -0.73 1.57 2.91 -1.23 0.03 115.95 118.55 2ijm h TRP 606 Ca 0.12 0.04 -0.03 0.00 1.13 0.00 0.00 58.89 60.16 2ijm h TRP 606 Cb 0.43 0.27 -0.03 0.00 -0.51 0.00 0.00 29.16 29.32 2ijm h TRP 606 CO 0.03 -0.28 0.35 0.52 -1.03 0.00 0.00 178.44 178.04 2ijm h MET 607 N -0.15 1.05 -0.87 2.65 2.86 -1.23 -2.34 114.93 116.90 2ijm h MET 607 Ca 0.17 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2ijm h MET 607 Cb 0.42 -0.19 -0.05 0.00 0.06 0.00 0.00 31.60 31.84 2ijm h MET 607 CO -0.43 0.82 0.58 0.35 1.06 0.00 0.00 176.91 179.28 2ijm h PHE 608 N 1.03 1.07 -0.46 -0.22 3.57 -0.53 0.35 116.94 121.74 2ijm h PHE 608 Ca 0.25 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.85 2ijm h PHE 608 Cb 0.12 -0.36 -0.06 0.00 2.79 0.00 0.00 35.95 38.44 2ijm h PHE 608 CO 0.01 0.64 0.12 0.78 -2.23 0.00 0.00 178.31 177.63 2ijm h GLY 609 N 1.12 0.58 0.94 2.40 0.00 -0.49 0.71 103.07 108.33 2ijm h GLY 609 Ca 0.34 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 47.54 2ijm h GLY 609 CO -0.09 -0.03 -0.08 -2.08 0.00 0.00 0.00 176.54 174.27 2ijm h VAL 610 N 0.27 1.28 -0.28 4.60 2.07 -0.84 -1.79 116.25 121.56 2ijm h VAL 610 Ca 0.22 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.65 2ijm h VAL 610 Cb 0.27 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 2ijm h VAL 610 CO -0.27 0.38 0.03 0.00 0.02 0.00 0.00 177.57 177.73 2ijm h MET 612 N 0.13 0.03 -0.48 0.00 2.86 -0.74 -0.11 114.93 116.63 2ijm h MET 612 Ca 0.13 -0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.84 2ijm h MET 612 Cb 0.15 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.74 2ijm h MET 612 CO -0.19 0.02 0.14 2.35 1.06 0.00 0.00 176.91 180.30 2ijm h TRP 613 N 0.03 0.25 -0.52 -0.22 7.01 -0.83 -1.37 115.95 120.31 2ijm h TRP 613 Ca 0.22 0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.29 2ijm h TRP 613 Cb 0.33 -0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.31 2ijm h TRP 613 CO -0.36 0.06 0.26 0.93 -2.79 0.00 0.00 178.44 176.55 2ijm h GLU 614 N 0.30 0.49 -0.37 2.65 5.08 -0.10 0.29 114.58 122.92 2ijm h GLU 614 Ca 0.23 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2ijm h GLU 614 Cb 0.27 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2ijm h GLU 614 CO -0.26 0.32 0.22 0.82 -1.00 0.00 0.00 179.01 179.12 2ijm h ILE 615 N 0.50 1.05 0.00 3.13 2.04 -0.66 -0.41 117.51 123.16 2ijm h ILE 615 Ca 0.23 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 2ijm h ILE 615 Cb 0.14 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 2ijm h ILE 615 CO -0.16 0.08 -0.04 -0.07 0.00 0.00 0.00 178.15 177.96 2ijm h LEU 616 N 0.46 0.00 -2.18 1.44 -0.00 -0.93 -1.78 115.31 112.31 2ijm h LEU 616 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.03 2ijm h LEU 616 Cb -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.65 2ijm h LEU 616 CO -0.06 0.04 0.00 0.23 -0.00 0.00 0.00 178.44 178.65 2ijm n MET 617 N -3.15 2.78 -3.67 1.13 2.81 0.06 -4.84 117.12 112.24 2ijm n MET 617 Ca 0.01 -1.87 -0.25 0.00 -1.81 0.00 0.00 57.70 53.77 2ijm n MET 617 Cb 0.34 -1.67 0.07 0.00 -0.71 0.00 0.00 33.22 31.25 2ijm n MET 617 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2ijm n HIS 618 N 0.67 -2.73 -1.01 2.03 8.25 -0.67 -2.24 115.22 119.52 2ijm n HIS 618 Ca 0.17 0.99 -0.00 0.00 -0.26 0.00 0.00 57.72 58.61 2ijm n HIS 618 Cb 0.62 -4.80 -0.00 0.00 1.12 0.00 0.00 29.99 26.93 2ijm n HIS 618 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ijm n GLY 619 N -1.91 0.42 3.74 -1.41 0.00 -0.22 -2.84 105.19 102.97 2ijm n GLY 619 Ca 0.00 -1.06 -0.40 0.00 0.00 0.00 0.00 46.02 44.55 2ijm n GLY 619 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ijm s VAL 620 N -2.02 4.33 0.33 1.61 1.01 -0.95 -4.88 120.40 119.83 2ijm s VAL 620 Ca 0.00 2.04 -0.28 0.00 0.00 0.00 0.00 61.98 63.73 2ijm s VAL 620 Cb 0.00 -4.30 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 2ijm s VAL 620 CO 0.00 0.40 1.17 -0.54 0.00 0.00 0.00 175.10 176.14 2ijm s LYS 621 N -0.54 4.41 0.44 2.72 1.02 -1.26 -4.58 119.74 121.95 2ijm s LYS 621 Ca 0.43 1.92 -0.24 0.00 0.02 0.00 0.00 55.97 58.10 2ijm s LYS 621 Cb -0.24 -3.01 -0.08 0.00 -0.52 0.00 0.00 37.83 33.98 2ijm s LYS 621 CO 0.30 -0.04 1.22 -1.25 -0.92 0.00 0.00 175.35 174.66 2ijm s PRO 622 N -1.78 3.80 -1.40 -1.68 0.04 -1.26 -3.74 135.00 128.98 2ijm s PRO 622 Ca 0.49 1.93 -0.09 0.00 0.04 0.00 0.00 61.00 63.37 2ijm s PRO 622 Cb -0.34 -2.53 0.06 0.00 0.04 0.00 0.00 34.50 31.74 2ijm s PRO 622 CO 0.43 -0.56 0.61 1.19 0.04 0.00 0.00 177.00 178.71 2ijm n PHE 623 N -0.28 -1.92 -2.19 0.56 3.01 -1.26 -4.88 117.46 110.50 2ijm n PHE 623 Ca 0.06 0.56 -0.42 0.00 1.01 0.00 0.00 57.45 58.66 2ijm n PHE 623 Cb 0.46 -3.48 -0.03 0.00 -0.01 0.00 0.00 39.48 36.43 2ijm n PHE 623 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 2ijm s GLN 624 N -6.06 4.24 0.00 -1.08 2.00 -1.24 -2.09 119.66 115.44 2ijm s GLN 624 Ca 0.43 1.98 0.00 0.00 -2.00 0.00 0.00 55.36 55.77 2ijm s GLN 624 Cb -0.22 -3.72 0.00 0.00 0.80 0.00 0.00 33.01 29.87 2ijm s GLN 624 CO 0.53 -0.68 0.00 0.41 -0.50 0.00 0.00 175.29 175.05 2ijm n GLY 625 N 3.78 0.83 3.37 2.59 0.00 -1.26 -5.08 105.19 109.42 2ijm n GLY 625 Ca 0.14 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 2ijm n GLY 625 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ijm s VAL 626 N -2.00 2.40 0.34 1.61 1.01 -0.89 -5.11 120.40 117.76 2ijm s VAL 626 Ca 0.00 -1.00 -0.27 0.00 0.00 0.00 0.00 61.98 60.71 2ijm s VAL 626 Cb 0.00 -1.88 -0.09 0.00 0.00 0.00 0.00 36.38 34.41 2ijm s VAL 626 CO 0.00 0.57 1.16 -0.54 0.00 0.00 0.00 175.10 176.29 2ijm s LYS 627 N -0.70 4.35 0.28 2.72 1.02 -1.26 -4.87 119.74 121.28 2ijm s LYS 627 Ca 0.11 1.88 0.00 0.00 0.02 0.00 0.00 55.97 57.98 2ijm s LYS 627 Cb -0.10 -2.94 0.67 0.00 -0.52 0.00 0.00 37.83 34.93 2ijm s LYS 627 CO -0.00 -0.07 1.63 -0.91 -0.92 0.00 0.00 175.35 175.07 2ijm h ASN 628 N 3.23 -0.18 0.37 2.83 2.35 -1.99 0.34 115.58 122.53 2ijm h ASN 628 Ca -0.48 0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.46 2ijm h ASN 628 Cb 1.22 0.33 -0.00 0.00 0.05 0.00 0.00 38.32 39.92 2ijm h ASN 628 CO 0.65 -0.21 -0.13 -1.13 -1.65 0.00 0.00 177.43 174.96 2ijm h ASN 629 N 0.14 0.00 0.59 5.81 -1.24 -2.00 -2.43 115.58 116.44 2ijm h ASN 629 Ca 0.54 0.00 -0.27 0.00 0.71 0.00 0.00 56.30 57.28 2ijm h ASN 629 Cb 1.07 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.13 2ijm h ASN 629 CO -0.72 0.13 -1.20 0.44 -1.29 0.00 0.00 177.43 174.79 2ijm h ASP 630 N 0.00 0.44 -0.22 1.15 3.32 -0.70 -3.10 116.42 117.31 2ijm h ASP 630 Ca -0.00 -0.45 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 2ijm h ASP 630 Cb 0.34 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 2ijm h ASP 630 CO 0.02 1.34 0.14 0.58 -1.72 0.00 0.00 179.24 179.59 2ijm h VAL 631 N 0.10 1.08 -0.43 -1.35 2.07 -1.09 -0.84 116.25 115.79 2ijm h VAL 631 Ca -0.13 -0.20 0.09 0.00 0.82 0.00 0.00 66.70 67.28 2ijm h VAL 631 Cb 1.91 0.81 -0.08 0.00 -1.52 0.00 0.00 31.29 32.41 2ijm h VAL 631 CO 0.20 0.08 -0.13 0.40 0.02 0.00 0.00 177.57 178.14 2ijm h ILE 632 N 0.28 0.52 -0.12 4.57 2.04 -1.49 -0.27 117.51 123.03 2ijm h ILE 632 Ca 0.08 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.80 2ijm h ILE 632 Cb 0.01 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.60 2ijm h ILE 632 CO -0.02 0.00 -0.52 1.23 0.00 0.00 0.00 178.15 178.84 2ijm h GLY 633 N -0.04 0.38 0.78 5.37 0.00 -1.45 -2.79 103.07 105.32 2ijm h GLY 633 Ca 0.21 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 2ijm h GLY 633 CO -0.46 0.38 -0.12 3.21 0.00 0.00 0.00 176.54 179.55 2ijm h ARG 634 N 0.27 -0.34 -0.62 4.80 3.08 -0.62 -2.77 114.38 118.17 2ijm h ARG 634 Ca 0.01 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.21 2ijm h ARG 634 Cb 1.01 0.08 -0.12 0.00 0.08 0.00 0.00 29.97 31.02 2ijm h ARG 634 CO 0.09 -0.07 -0.15 0.82 -1.07 0.00 0.00 179.97 179.59 2ijm h ILE 635 N -0.57 0.38 0.00 2.04 1.08 -1.07 0.22 117.51 119.59 2ijm h ILE 635 Ca -0.04 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 2ijm h ILE 635 Cb 0.42 0.38 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 2ijm h ILE 635 CO 0.06 0.00 0.00 -0.33 -0.69 0.00 0.00 178.15 177.19 2ijm h GLU 636 N 0.01 0.00 -0.64 2.37 5.08 -1.48 -2.02 114.58 117.90 2ijm h GLU 636 Ca 0.30 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.66 2ijm h GLU 636 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2ijm h GLU 636 CO -0.64 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.46 2ijm n ASN 637 N -2.60 4.13 0.00 1.42 3.02 0.72 -4.92 115.26 117.03 2ijm n ASN 637 Ca -0.01 -2.40 0.00 0.00 -0.03 0.00 0.00 54.58 52.14 2ijm n ASN 637 Cb 0.13 -0.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 2ijm n ASN 637 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ijm n GLY 638 N 0.97 1.35 3.77 7.41 0.00 -0.76 -5.03 105.19 112.90 2ijm n GLY 638 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 2ijm n GLY 638 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ijm s GLU 639 N -0.49 4.21 0.18 1.61 2.12 -1.01 -4.99 118.70 120.34 2ijm s GLU 639 Ca 0.00 1.67 -0.02 0.00 0.36 0.00 0.00 54.97 56.97 2ijm s GLU 639 Cb 0.00 -2.70 -0.04 0.00 0.26 0.00 0.00 34.13 31.65 2ijm s GLU 639 CO 0.00 -0.13 0.14 1.03 -0.54 0.00 0.00 175.26 175.76 2ijm s ARG 640 N -2.24 1.16 0.30 4.30 1.81 -1.26 -4.01 118.95 119.00 2ijm s ARG 640 Ca 0.55 -1.54 -0.30 0.00 -1.72 0.00 0.00 55.73 52.73 2ijm s ARG 640 Cb -0.27 0.28 -0.11 0.00 -0.45 0.00 0.00 34.95 34.40 2ijm s ARG 640 CO 0.33 -0.38 1.58 -0.51 -0.68 0.00 0.00 175.30 175.64 2ijm s LEU 641 N -3.11 4.35 0.82 2.53 1.43 -1.26 -4.97 118.68 118.46 2ijm s LEU 641 Ca 0.33 2.94 -0.11 0.00 -1.03 0.00 0.00 54.13 56.26 2ijm s LEU 641 Cb 0.06 -3.64 0.09 0.00 0.03 0.00 0.00 46.19 42.74 2ijm s LEU 641 CO 0.09 -0.90 1.09 -2.84 0.23 0.00 0.00 176.35 174.02 2ijm s PRO 642 N -0.60 1.83 0.05 1.29 0.02 -1.26 -4.95 135.00 131.39 2ijm s PRO 642 Ca 0.62 1.07 -0.31 0.00 0.02 0.00 0.00 61.00 62.41 2ijm s PRO 642 Cb -0.47 -1.85 -0.08 0.00 0.02 0.00 0.00 34.50 32.11 2ijm s PRO 642 CO 0.49 -1.92 1.67 1.41 -0.33 0.00 0.00 177.00 178.32 2ijm s MET 643 N -4.89 4.19 0.36 5.54 -2.45 -1.26 -4.96 119.30 115.83 2ijm s MET 643 Ca 0.62 2.33 -0.28 0.00 -1.25 0.00 0.00 55.69 57.11 2ijm s MET 643 Cb -0.18 -3.67 -0.12 0.00 1.25 0.00 0.00 34.83 32.12 2ijm s MET 643 CO 0.57 -0.76 1.34 -2.30 1.05 0.00 0.00 175.02 174.92 2ijm n PRO 644 N 5.85 2.26 -1.49 4.11 -0.02 -1.26 -4.93 135.00 139.52 2ijm n PRO 644 Ca 0.16 0.79 -0.49 0.00 -2.02 0.00 0.00 63.50 61.95 2ijm n PRO 644 Cb 0.41 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 2ijm n PRO 644 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2ijm n PRO 645 N 0.49 0.53 -0.83 0.52 -0.02 -1.26 -1.45 135.00 132.98 2ijm n PRO 645 Ca 0.04 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 2ijm n PRO 645 Cb 0.37 -1.42 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 2ijm n PRO 645 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2ijm n ASN 646 N 1.76 -3.23 -4.73 2.55 3.02 -1.26 -4.96 115.26 108.40 2ijm n ASN 646 Ca 0.16 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.29 2ijm n ASN 646 Cb 0.25 -2.62 -0.03 0.00 -0.61 0.00 0.00 39.78 36.76 2ijm n ASN 646 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ijm n PRO 648 N 2.98 2.62 0.00 0.00 -0.02 -1.26 -4.91 135.00 134.41 2ijm n PRO 648 Ca 0.07 0.93 0.18 0.00 -2.02 0.00 0.00 63.50 62.66 2ijm n PRO 648 Cb 0.44 -2.70 0.65 0.00 -0.02 0.00 0.00 33.50 31.87 2ijm n PRO 648 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2ijm h PRO 649 N 4.73 0.08 -0.46 0.52 0.11 -1.97 -1.75 132.00 133.25 2ijm h PRO 649 Ca -0.47 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 2ijm h PRO 649 Cb 1.23 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 2ijm h PRO 649 CO 0.79 0.05 -0.01 1.15 -0.21 0.00 0.00 178.00 179.77 2ijm h THR 650 N 0.08 1.24 -0.01 -1.15 2.02 -2.00 -1.84 112.91 111.25 2ijm h THR 650 Ca 0.24 -1.01 -0.23 0.00 0.77 0.00 0.00 66.41 66.19 2ijm h THR 650 Cb 0.86 0.90 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2ijm h THR 650 CO -0.02 0.35 -0.93 0.25 0.37 0.00 0.00 175.52 175.54 2ijm h LEU 651 N 0.72 0.58 -0.89 2.58 5.85 -1.72 -2.59 115.31 119.83 2ijm h LEU 651 Ca 0.14 -0.45 -0.10 0.00 0.84 0.00 0.00 57.88 58.31 2ijm h LEU 651 Cb 0.46 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 2ijm h LEU 651 CO 0.02 1.25 -0.20 0.22 -0.34 0.00 0.00 178.44 179.38 2ijm h TYR 652 N 0.26 0.65 -0.48 1.25 3.20 -1.28 -1.53 116.97 119.04 2ijm h TYR 652 Ca -0.08 -0.13 -0.03 0.00 3.14 0.00 0.00 58.73 61.63 2ijm h TYR 652 Cb 1.56 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.65 2ijm h TYR 652 CO 0.06 0.75 0.19 1.03 -1.64 0.00 0.00 178.16 178.55 2ijm h SER 653 N 0.52 0.66 -0.30 -2.11 0.87 -1.33 -0.16 113.55 111.70 2ijm h SER 653 Ca 0.08 -0.17 0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2ijm h SER 653 Cb 0.64 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.39 2ijm h SER 653 CO 0.05 0.65 0.03 0.25 -0.53 0.00 0.00 176.83 177.28 2ijm h LEU 654 N 0.63 -0.04 -0.88 2.23 5.85 -1.27 -1.74 115.31 120.08 2ijm h LEU 654 Ca 0.16 0.06 0.11 0.00 0.84 0.00 0.00 57.88 59.05 2ijm h LEU 654 Cb 0.20 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.24 2ijm h LEU 654 CO -0.01 0.01 0.51 0.24 -0.34 0.00 0.00 178.44 178.85 2ijm h MET 655 N 0.13 0.79 -0.82 1.25 2.86 -0.99 -2.27 114.93 115.89 2ijm h MET 655 Ca 0.14 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2ijm h MET 655 Cb 0.17 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.61 2ijm h MET 655 CO -0.21 0.52 0.52 1.15 1.06 0.00 0.00 176.91 179.96 2ijm h THR 656 N 0.82 1.22 -0.51 2.22 2.02 -0.38 -1.99 112.91 116.31 2ijm h THR 656 Ca 0.44 -0.44 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 2ijm h THR 656 Cb 0.46 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 2ijm h THR 656 CO -0.28 0.22 0.01 0.11 0.37 0.00 0.00 175.52 175.96 2ijm h LYS 657 N 1.12 0.85 0.00 6.66 1.57 -0.77 -2.28 116.57 123.72 2ijm h LYS 657 Ca 0.30 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 2ijm h LYS 657 Cb -0.08 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.13 2ijm h LYS 657 CO -0.06 0.84 -0.06 0.00 -0.57 0.00 0.00 179.45 179.60 2ijm n TRP 659 N -3.49 2.11 -1.80 0.00 8.01 -0.86 -3.49 117.44 117.92 2ijm n TRP 659 Ca -0.02 -1.59 -0.42 0.00 -1.31 0.00 0.00 57.50 54.16 2ijm n TRP 659 Cb 0.18 -0.70 -0.03 0.00 -2.01 0.00 0.00 31.31 28.76 2ijm n TRP 659 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 2ijm s ALA 660 N -3.20 3.87 0.26 6.99 0.00 -1.03 -4.88 121.76 123.76 2ijm s ALA 660 Ca 0.51 1.49 -0.03 0.00 0.00 0.00 0.00 51.96 53.93 2ijm s ALA 660 Cb 0.44 -3.68 0.40 0.00 0.00 0.00 0.00 23.12 20.28 2ijm s ALA 660 CO 0.07 -0.90 1.86 -0.92 0.00 0.00 0.00 175.76 175.87 2ijm h TYR 661 N 6.97 1.10 -3.47 0.00 3.20 -1.93 -3.38 116.97 119.46 2ijm h TYR 661 Ca -0.43 0.03 -0.58 0.00 3.14 0.00 0.00 58.73 60.89 2ijm h TYR 661 Cb 1.20 -0.36 -0.08 0.00 1.54 0.00 0.00 36.73 39.04 2ijm h TYR 661 CO 0.66 0.54 0.77 0.34 -1.64 0.00 0.00 178.16 178.83 2ijm s ASP 662 N -5.81 6.77 0.56 -2.11 -1.08 -1.26 -4.88 116.67 108.86 2ijm s ASP 662 Ca -0.12 0.74 0.26 0.00 -0.52 0.00 0.00 52.55 52.90 2ijm s ASP 662 Cb 0.20 -2.51 1.53 0.00 -1.46 0.00 0.00 42.92 40.67 2ijm s ASP 662 CO 0.80 -0.96 2.08 -0.65 0.52 0.00 0.00 175.17 176.97 2ijm h PRO 663 N 8.49 0.00 0.00 4.34 0.11 -1.96 -0.60 132.00 142.39 2ijm h PRO 663 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2ijm h PRO 663 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2ijm h PRO 663 CO 1.03 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.69 2ijm n SER 664 N -4.07 0.65 -0.17 -2.05 3.41 -1.26 -2.18 113.62 107.96 2ijm n SER 664 Ca 0.03 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 2ijm n SER 664 Cb 0.36 -0.77 0.27 0.00 -0.26 0.00 0.00 64.21 63.82 2ijm n SER 664 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2ijm n ARG 665 N -2.16 0.55 -2.55 4.33 1.74 -0.23 -4.91 116.66 113.44 2ijm n ARG 665 Ca 0.04 -0.35 -0.39 0.00 -0.77 0.00 0.00 57.85 56.38 2ijm n ARG 665 Cb 0.32 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.22 2ijm n ARG 665 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2ijm s ARG 666 N -2.69 4.52 1.06 5.56 0.52 -0.92 -4.90 118.95 122.10 2ijm s ARG 666 Ca 0.19 1.65 -0.12 0.00 -0.52 0.00 0.00 55.73 56.92 2ijm s ARG 666 Cb 0.18 -2.99 0.22 0.00 0.52 0.00 0.00 34.95 32.89 2ijm s ARG 666 CO 0.60 0.15 1.07 -1.25 0.02 0.00 0.00 175.30 175.89 2ijm s PRO 667 N -1.76 -0.06 0.43 3.54 0.04 -1.26 -5.06 135.00 130.87 2ijm s PRO 667 Ca 0.48 0.68 0.08 0.00 0.04 0.00 0.00 61.00 62.28 2ijm s PRO 667 Cb -0.28 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2ijm s PRO 667 CO 0.35 -3.10 0.49 1.03 0.04 0.00 0.00 177.00 175.81 2ijm s ARG 668 N -4.76 2.65 0.44 4.56 0.52 -1.26 -4.92 118.95 116.18 2ijm s ARG 668 Ca 0.66 -1.42 0.24 0.00 -0.52 0.00 0.00 55.73 54.70 2ijm s ARG 668 Cb -0.21 -2.56 0.89 0.00 0.52 0.00 0.00 34.95 33.58 2ijm s ARG 668 CO 0.60 -0.28 1.81 0.74 0.02 0.00 0.00 175.30 178.19 2ijm h PHE 669 N 0.78 0.00 -0.22 -0.53 -1.00 -1.93 -2.15 116.94 111.89 2ijm h PHE 669 Ca -0.40 0.00 0.03 0.00 2.81 0.00 0.00 57.97 60.41 2ijm h PHE 669 Cb 1.28 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.81 2ijm h PHE 669 CO 0.47 0.22 0.05 1.15 -1.61 0.00 0.00 178.31 178.59 2ijm h THR 670 N 0.00 0.91 -0.50 -1.55 2.02 -1.91 -0.58 112.91 111.31 2ijm h THR 670 Ca -0.00 -0.05 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 2ijm h THR 670 Cb 0.77 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 2ijm h THR 670 CO 0.03 0.03 -0.12 -0.08 0.37 0.00 0.00 175.52 175.74 2ijm h GLU 671 N 0.14 0.96 -0.17 6.66 4.81 -1.91 -2.44 114.58 122.64 2ijm h GLU 671 Ca 0.10 -0.37 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 2ijm h GLU 671 Cb 0.09 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2ijm h GLU 671 CO -0.12 1.04 0.06 -0.07 -0.73 0.00 0.00 179.01 179.18 2ijm h LEU 672 N 0.82 0.24 -0.32 1.64 3.38 -1.24 -0.78 115.31 119.05 2ijm h LEU 672 Ca 0.13 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 57.97 2ijm h LEU 672 Cb 0.68 -0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 2ijm h LEU 672 CO 0.05 0.37 -0.12 0.50 0.09 0.00 0.00 178.44 179.33 2ijm h LYS 673 N 0.10 -0.05 -0.55 1.13 3.64 -1.13 0.13 116.57 119.85 2ijm h LYS 673 Ca 0.05 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2ijm h LYS 673 Cb 0.21 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2ijm h LYS 673 CO -0.00 -0.03 0.25 0.00 -2.27 0.00 0.00 179.45 177.39 2ijm h ALA 674 N 1.24 0.71 -0.23 5.00 0.00 -1.28 -1.29 119.26 123.42 2ijm h ALA 674 Ca 0.16 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2ijm h ALA 674 Cb 0.30 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2ijm h ALA 674 CO -0.36 0.29 -0.42 1.96 0.00 0.00 0.00 179.25 180.71 2ijm h GLN 675 N 0.74 0.55 -0.42 0.00 4.20 -0.88 -2.73 115.11 116.58 2ijm h GLN 675 Ca 0.19 -0.29 -0.11 0.00 0.06 0.00 0.00 58.65 58.50 2ijm h GLN 675 Cb 0.14 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 2ijm h GLN 675 CO -0.02 0.87 -0.18 -0.07 -0.67 0.00 0.00 178.83 178.77 2ijm h LEU 676 N 0.45 0.80 -0.70 1.46 3.38 -0.53 0.93 115.31 121.10 2ijm h LEU 676 Ca 0.04 -0.27 0.07 0.00 0.09 0.00 0.00 57.88 57.80 2ijm h LEU 676 Cb 0.92 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.39 2ijm h LEU 676 CO 0.08 0.97 0.39 -1.28 0.09 0.00 0.00 178.44 178.70 2ijm h SER 677 N 0.71 0.58 -0.15 -0.43 0.87 -1.18 0.13 113.55 114.07 2ijm h SER 677 Ca 0.11 0.03 -0.19 0.00 -1.23 0.00 0.00 61.79 60.51 2ijm h SER 677 Cb 0.68 -0.08 0.01 0.00 -0.44 0.00 0.00 62.40 62.57 2ijm h SER 677 CO 0.05 0.36 -0.66 0.74 -0.53 0.00 0.00 176.83 176.80 2ijm h THR 678 N 0.71 1.30 -0.57 2.23 2.02 -1.26 -2.20 112.91 115.15 2ijm h THR 678 Ca 0.32 -1.89 -0.04 0.00 0.77 0.00 0.00 66.41 65.57 2ijm h THR 678 Cb 0.22 2.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.61 2ijm h THR 678 CO -0.20 0.59 0.20 0.40 0.37 0.00 0.00 175.52 176.88 2ijm h ILE 679 N 0.42 1.22 -0.14 3.11 2.04 -0.56 -2.94 117.51 120.65 2ijm h ILE 679 Ca -0.04 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.09 2ijm h ILE 679 Cb 1.29 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.93 2ijm h ILE 679 CO 0.14 0.28 0.02 0.25 0.00 0.00 0.00 178.15 178.83 2ijm h LEU 680 N 0.83 0.22 -0.89 1.44 5.85 -0.65 -2.56 115.31 119.54 2ijm h LEU 680 Ca 0.19 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.69 2ijm h LEU 680 Cb 0.21 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 2ijm h LEU 680 CO -0.01 0.42 0.58 1.05 -0.34 0.00 0.00 178.44 180.14 2ijm h GLU 681 N 0.00 1.07 0.00 1.25 4.11 -1.37 -1.74 114.58 117.91 2ijm h GLU 681 Ca 0.04 -0.06 -0.07 0.00 0.07 0.00 0.00 59.36 59.34 2ijm h GLU 681 Cb 0.30 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2ijm h GLU 681 CO 0.00 0.71 -0.33 0.93 0.07 0.00 0.00 179.01 180.39 2ijm h GLU 682 N 1.11 0.00 0.05 1.06 5.08 -1.46 -0.77 114.58 119.65 2ijm h GLU 682 Ca 0.36 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.49 2ijm h GLU 682 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2ijm h GLU 682 CO -0.13 0.33 -1.05 1.49 -1.00 0.00 0.00 179.01 178.66 2ijm h GLU 683 N 0.00 0.19 -0.47 2.33 4.57 -1.03 -2.14 114.58 118.03 2ijm h GLU 683 Ca -0.00 -0.27 -0.12 0.00 -1.18 0.00 0.00 59.36 57.78 2ijm h GLU 683 Cb 0.78 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 2ijm h GLU 683 CO 0.04 1.08 -0.19 0.87 -1.18 0.00 0.00 179.01 179.63 2ijm h LYS 684 N 0.07 0.96 0.00 1.92 1.57 -0.94 -2.78 116.57 117.37 2ijm h LYS 684 Ca -0.07 -0.40 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 2ijm h LYS 684 Cb 1.75 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 34.03 2ijm h LYS 684 CO 0.16 1.07 0.00 0.00 -0.57 0.00 0.00 179.45 180.11 2ijm h ALA 685 N 0.86 1.00 0.00 3.86 0.00 -1.22 -3.25 119.26 120.51 2ijm h ALA 685 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ijm h ALA 685 Cb 0.76 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2ijm h ALA 685 CO 0.06 0.00 0.00 0.94 0.00 0.00 0.00 179.25 180.25 2ijm n GLN 686 N -2.69 0.51 -2.98 0.00 0.00 -0.81 -3.74 117.38 107.66 2ijm n GLN 686 Ca 0.02 0.04 -0.16 0.00 -0.00 0.00 0.00 57.00 56.90 2ijm n GLN 686 Cb 0.32 -1.50 -0.01 0.00 0.00 0.00 0.00 30.24 29.05 2ijm n GLN 686 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 2ijm n GLN 687 N -1.13 0.77 0.00 3.69 7.27 -1.23 -5.08 117.38 121.67 2ijm n GLN 687 Ca 0.13 -2.54 0.00 0.00 0.07 0.00 0.00 57.00 54.66 2ijm n GLN 687 Cb 0.12 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 31.43 2ijm n GLN 687 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52