#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yae s ALA 422 N 0.00 -1.62 -0.12 0.55 0.00 -1.26 -5.17 121.76 114.15 1yae s ALA 422 Ca 0.00 1.69 -0.05 0.00 0.00 0.00 0.00 51.96 53.59 1yae s ALA 422 Cb 0.00 -1.70 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 1yae s ALA 422 CO 0.00 -1.03 0.08 1.21 0.00 0.00 0.00 175.76 176.02 1yae s ASN 423 N 2.73 5.88 0.00 0.00 2.47 -1.26 -5.02 114.94 119.74 1yae s ASN 423 Ca 0.05 0.30 0.00 0.00 0.42 0.00 0.00 52.86 53.63 1yae s ASN 423 Cb -0.13 -1.84 0.00 0.00 -1.45 0.00 0.00 41.25 37.82 1yae s ASN 423 CO -0.17 0.36 0.00 2.30 -3.72 0.00 0.00 177.10 175.88 1yae n ILE 424 N 2.26 0.00 -1.64 -5.21 -5.35 -1.26 -4.87 119.36 103.30 1yae n ILE 424 Ca -0.19 0.00 -0.62 0.00 -0.27 0.00 0.00 62.75 61.67 1yae n ILE 424 Cb 0.54 -0.49 -0.08 0.00 -1.74 0.00 0.00 39.64 37.87 1yae n ILE 424 CO 0.00 0.00 0.00 0.41 -1.76 0.00 0.00 176.55 175.20 1yae n THR 425 N -1.57 0.05 -0.88 7.28 -1.04 -1.26 0.17 114.28 117.02 1yae n THR 425 Ca 0.00 -0.01 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1yae n THR 425 Cb 0.30 -0.47 -0.01 0.00 -1.82 0.00 0.00 70.33 68.32 1yae n THR 425 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1yae n ASP 426 N 3.19 -4.85 -0.24 8.00 8.00 -0.88 -4.86 116.55 124.92 1yae n ASP 426 Ca 0.25 0.04 0.28 0.00 0.71 0.00 0.00 54.79 56.07 1yae n ASP 426 Cb 0.04 -3.05 0.68 0.00 -0.02 0.00 0.00 41.12 38.77 1yae n ASP 426 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1yae h SER 427 N 0.00 0.11 -1.97 -2.24 4.64 0.16 0.81 113.55 115.05 1yae h SER 427 Ca -0.03 0.02 -0.58 0.00 -0.47 0.00 0.00 61.79 60.73 1yae h SER 427 Cb 0.84 -0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.51 1yae h SER 427 CO 0.05 0.03 -0.72 0.00 -0.87 0.00 0.00 176.83 175.32 1yae n LEU 428 N -4.32 4.27 0.15 5.97 -0.00 -1.16 -4.87 117.00 117.03 1yae n LEU 428 Ca 0.21 -5.43 -0.00 0.00 -0.00 0.00 0.00 56.01 50.79 1yae n LEU 428 Cb 0.98 -0.42 0.21 0.00 -0.00 0.00 0.00 43.42 44.19 1yae n LEU 428 CO 0.37 2.29 0.54 -1.28 -0.00 0.00 0.00 177.39 179.31 1yae h SER 429 N 2.85 0.00 0.95 1.45 0.87 -0.93 -3.18 113.55 115.56 1yae h SER 429 Ca 0.18 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.64 1yae h SER 429 Cb 0.69 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1yae h SER 429 CO 0.80 0.57 -0.49 -1.13 -0.53 0.00 0.00 176.83 176.05 1yae h ASN 430 N 0.00 0.00 -3.82 6.23 -0.73 -1.84 -3.42 115.58 112.00 1yae h ASN 430 Ca -0.01 0.00 -0.49 0.00 1.87 0.00 0.00 56.30 57.67 1yae h ASN 430 Cb 1.02 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.61 1yae h ASN 430 CO 0.07 0.49 0.42 -0.13 -0.37 0.00 0.00 177.43 177.91 1yae s ARG 431 N -3.40 4.62 -0.15 6.67 3.00 -1.20 -4.97 118.95 123.52 1yae s ARG 431 Ca 0.01 1.62 -0.00 0.00 0.00 0.00 0.00 55.73 57.36 1yae s ARG 431 Cb 0.10 -3.08 -0.00 0.00 0.00 0.00 0.00 34.95 31.97 1yae s ARG 431 CO 0.72 0.25 -0.14 -1.54 0.00 0.00 0.00 175.30 174.59 1yae s SER 432 N -1.14 3.77 0.16 0.23 1.04 -1.26 -2.09 113.70 114.42 1yae s SER 432 Ca 0.46 -0.44 0.09 0.00 0.48 0.00 0.00 55.95 56.54 1yae s SER 432 Cb -0.27 -1.58 -0.04 0.00 0.10 0.00 0.00 66.02 64.22 1yae s SER 432 CO 0.35 0.09 -0.10 -0.76 0.98 0.00 0.00 173.24 173.80 1yae s LEU 433 N 0.77 2.97 -0.28 2.42 1.02 0.30 -4.96 118.68 120.91 1yae s LEU 433 Ca -0.06 -0.54 -0.05 0.00 0.02 0.00 0.00 54.13 53.50 1yae s LEU 433 Cb -0.15 -1.68 0.02 0.00 0.02 0.00 0.00 46.19 44.39 1yae s LEU 433 CO 0.01 0.12 0.03 -0.51 0.02 0.00 0.00 176.35 176.02 1yae s ILE 434 N -1.58 3.58 -0.24 -0.59 2.07 -1.26 -0.34 121.20 122.84 1yae s ILE 434 Ca 0.24 -0.84 -0.08 0.00 -1.41 0.00 0.00 60.65 58.56 1yae s ILE 434 Cb -0.09 -2.86 -0.03 0.00 0.13 0.00 0.00 42.46 39.61 1yae s ILE 434 CO 0.15 0.10 0.08 -0.69 -1.91 0.00 0.00 174.94 172.66 1yae s VAL 435 N 1.43 4.47 0.11 4.00 1.01 0.25 -0.49 120.40 131.18 1yae s VAL 435 Ca 0.01 -0.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.74 1yae s VAL 435 Cb -0.17 -3.08 -0.06 0.00 0.00 0.00 0.00 36.38 33.06 1yae s VAL 435 CO 0.00 0.35 0.49 0.28 0.00 0.00 0.00 175.10 176.22 1yae s THR 436 N 1.44 4.95 0.33 3.92 -1.32 -0.24 -0.16 115.64 124.57 1yae s THR 436 Ca 0.06 0.72 -0.11 0.00 -1.21 0.00 0.00 61.69 61.14 1yae s THR 436 Cb -0.15 -3.71 0.02 0.00 -1.51 0.00 0.00 72.50 67.15 1yae s THR 436 CO 0.04 0.30 0.61 0.28 -2.21 0.00 0.00 174.62 173.65 1yae s THR 437 N -1.39 0.00 0.06 5.08 -1.32 -0.63 -2.57 115.64 114.87 1yae s THR 437 Ca 0.35 -1.29 0.03 0.00 -1.21 0.00 0.00 61.69 59.57 1yae s THR 437 Cb -0.15 -2.58 -0.03 0.00 -1.51 0.00 0.00 72.50 68.24 1yae s THR 437 CO 0.18 0.00 -0.10 -0.51 -2.21 0.00 0.00 174.62 171.98 1yae s ILE 438 N -3.06 0.77 -0.14 5.08 1.10 -1.26 -0.34 121.20 123.35 1yae s ILE 438 Ca 0.22 -1.26 -0.29 0.00 -0.51 0.00 0.00 60.65 58.81 1yae s ILE 438 Cb -0.03 -0.89 -0.01 0.00 0.15 0.00 0.00 42.46 41.69 1yae s ILE 438 CO 0.14 -0.38 1.09 -0.76 -2.11 0.00 0.00 174.94 172.92 1yae s LEU 439 N -1.80 4.20 -0.30 8.50 1.43 -1.26 -4.54 118.68 124.91 1yae s LEU 439 Ca -0.05 1.57 -0.11 0.00 -1.03 0.00 0.00 54.13 54.51 1yae s LEU 439 Cb -0.08 -3.55 0.16 0.00 0.03 0.00 0.00 46.19 42.74 1yae s LEU 439 CO 0.01 -0.58 0.83 -0.70 0.23 0.00 0.00 176.35 176.13 1yae s GLU 440 N 2.61 0.42 0.20 1.70 2.56 -0.75 -4.99 118.70 120.46 1yae s GLU 440 Ca 0.49 0.98 -0.30 0.00 0.00 0.00 0.00 54.97 56.14 1yae s GLU 440 Cb -0.19 0.58 -0.08 0.00 2.00 0.00 0.00 34.13 36.44 1yae s GLU 440 CO 0.15 -0.22 1.15 -2.00 -0.56 0.00 0.00 175.26 173.78 1yae s GLU 441 N 2.71 4.55 -0.48 4.30 2.12 -1.26 0.09 118.70 130.72 1yae s GLU 441 Ca -0.00 1.82 0.03 0.00 0.36 0.00 0.00 54.97 57.18 1yae s GLU 441 Cb -0.10 -3.24 0.54 0.00 0.26 0.00 0.00 34.13 31.60 1yae s GLU 441 CO -0.18 0.01 1.81 -0.35 -0.54 0.00 0.00 175.26 176.02 1yae n PRO 442 N 2.22 2.46 -0.05 4.30 -0.04 -1.26 -4.94 135.00 137.68 1yae n PRO 442 Ca 0.03 -3.25 -0.14 0.00 -0.04 0.00 0.00 63.50 60.09 1yae n PRO 442 Cb 0.45 -2.16 -0.13 0.00 -0.04 0.00 0.00 33.50 31.62 1yae n PRO 442 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1yae h TYR 443 N 1.46 0.06 -3.42 0.54 0.05 -0.69 -1.47 116.97 113.50 1yae h TYR 443 Ca 0.53 -0.04 -0.34 0.00 0.05 0.00 0.00 58.73 58.93 1yae h TYR 443 Cb 1.81 -0.00 -0.36 0.00 1.01 0.00 0.00 36.73 39.18 1yae h TYR 443 CO 1.38 0.96 -0.74 0.08 -1.05 0.00 0.00 178.16 178.79 1yae s VAL 444 N -2.53 -0.03 0.20 -2.88 1.01 -0.33 -1.23 120.40 114.60 1yae s VAL 444 Ca -0.18 0.28 0.05 0.00 0.00 0.00 0.00 61.98 62.13 1yae s VAL 444 Cb -0.02 -0.15 -0.05 0.00 0.00 0.00 0.00 36.38 36.16 1yae s VAL 444 CO 0.70 0.14 -0.08 -0.76 0.00 0.00 0.00 175.10 175.11 1yae s LEU 445 N 1.55 2.43 0.10 3.92 1.43 0.56 -1.80 118.68 126.87 1yae s LEU 445 Ca -0.03 -1.09 -0.25 0.00 -1.03 0.00 0.00 54.13 51.73 1yae s LEU 445 Cb -0.13 -0.42 -0.07 0.00 0.03 0.00 0.00 46.19 45.61 1yae s LEU 445 CO -0.03 -0.35 0.76 -0.36 0.23 0.00 0.00 176.35 176.59 1yae s PHE 446 N -3.25 3.81 0.33 0.29 0.08 -1.26 -1.67 117.98 116.31 1yae s PHE 446 Ca 0.23 1.53 -0.29 0.00 0.12 0.00 0.00 56.93 58.52 1yae s PHE 446 Cb 0.03 -2.77 -0.11 0.00 -0.57 0.00 0.00 43.02 39.60 1yae s PHE 446 CO 0.05 0.40 1.43 0.15 -0.10 0.00 0.00 175.22 177.15 1yae s LYS 447 N -0.59 4.22 -0.12 0.44 1.02 0.19 -4.84 119.74 120.06 1yae s LYS 447 Ca 0.37 2.41 -0.28 0.00 0.02 0.00 0.00 55.97 58.49 1yae s LYS 447 Cb -0.22 -3.03 -0.01 0.00 -0.52 0.00 0.00 37.83 34.05 1yae s LYS 447 CO 0.24 -0.41 0.92 0.21 -0.92 0.00 0.00 175.35 175.40 1yae s LYS 448 N -1.58 4.38 0.25 1.68 2.47 -1.26 -5.00 119.74 120.68 1yae s LYS 448 Ca 0.53 1.22 -0.09 0.00 -1.56 0.00 0.00 55.97 56.08 1yae s LYS 448 Cb -0.44 -3.55 0.04 0.00 -1.46 0.00 0.00 37.83 32.42 1yae s LYS 448 CO 0.55 -0.29 0.49 0.45 0.16 0.00 0.00 175.35 176.71 1yae n SER 449 N 4.98 -1.43 0.00 1.43 2.88 -1.26 -5.10 113.62 115.12 1yae n SER 449 Ca 0.06 -2.01 0.00 0.00 -1.33 0.00 0.00 58.87 55.59 1yae n SER 449 Cb 0.49 2.39 0.00 0.00 -0.75 0.00 0.00 64.21 66.34 1yae n SER 449 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1yae n ASP 450 N -1.35 2.42 -4.80 -3.46 2.03 -1.26 -5.01 116.55 105.12 1yae n ASP 450 Ca -0.05 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.90 1yae n ASP 450 Cb 0.37 0.22 -0.07 0.00 -0.72 0.00 0.00 41.12 40.93 1yae n ASP 450 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1yae s LYS 451 N -1.49 4.41 -0.09 -0.67 1.02 -1.26 -5.03 119.74 116.62 1yae s LYS 451 Ca 0.00 1.20 -0.37 0.00 0.02 0.00 0.00 55.97 56.82 1yae s LYS 451 Cb 0.00 -2.56 -0.14 0.00 -0.52 0.00 0.00 37.83 34.61 1yae s LYS 451 CO 0.00 0.17 1.71 -2.30 -0.92 0.00 0.00 175.35 174.01 1yae n PRO 452 N 0.09 1.67 -4.43 -1.68 -0.02 -1.26 -5.00 135.00 124.36 1yae n PRO 452 Ca 0.04 0.61 -0.31 0.00 -2.02 0.00 0.00 63.50 61.82 1yae n PRO 452 Cb 0.52 -2.36 -0.11 0.00 -0.02 0.00 0.00 33.50 31.53 1yae n PRO 452 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1yae s LEU 453 N 2.91 3.01 -0.04 2.45 1.43 -1.26 -5.13 118.68 122.06 1yae s LEU 453 Ca 0.91 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 53.77 1yae s LEU 453 Cb -0.86 -1.77 -0.00 0.00 0.03 0.00 0.00 46.19 43.59 1yae s LEU 453 CO 0.54 0.24 -0.16 -0.31 0.23 0.00 0.00 176.35 176.90 1yae s TYR 454 N -1.05 1.55 0.00 0.29 2.02 -1.26 -4.70 117.35 114.19 1yae s TYR 454 Ca 0.18 -0.43 0.00 0.00 -0.37 0.00 0.00 57.07 56.45 1yae s TYR 454 Cb -0.11 -1.05 0.00 0.00 -0.40 0.00 0.00 41.96 40.40 1yae s TYR 454 CO 0.09 -0.14 0.00 0.41 -1.57 0.00 0.00 175.55 174.34 1yae n GLY 455 N 3.14 0.66 0.41 0.71 0.00 -1.26 -2.92 105.19 105.93 1yae n GLY 455 Ca -0.18 -0.80 0.30 0.00 0.00 0.00 0.00 46.02 45.34 1yae n GLY 455 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1yae h ASN 456 N 8.74 0.37 -0.34 1.61 4.21 -1.91 0.12 115.58 128.38 1yae h ASN 456 Ca 0.00 0.14 0.10 0.00 1.21 0.00 0.00 56.30 57.75 1yae h ASN 456 Cb 0.00 0.10 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 1yae h ASN 456 CO 0.00 -0.10 0.39 -0.78 -1.29 0.00 0.00 177.43 175.64 1yae h ASP 457 N 0.23 0.00 -0.33 5.81 3.58 -1.93 -1.59 116.42 122.18 1yae h ASP 457 Ca 0.74 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 58.15 1yae h ASP 457 Cb 2.05 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 43.08 1yae h ASP 457 CO -0.44 0.00 0.08 0.03 -2.88 0.00 0.00 179.24 176.03 1yae h ARG 458 N 0.00 0.61 -6.32 0.28 3.08 -0.88 -3.45 114.38 107.71 1yae h ARG 458 Ca 0.16 -0.11 -0.46 0.00 0.07 0.00 0.00 59.98 59.64 1yae h ARG 458 Cb 0.94 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.89 1yae h ARG 458 CO -0.00 0.57 -0.34 -0.06 -1.07 0.00 0.00 179.97 179.07 1yae s PHE 459 N -5.13 3.40 0.32 3.04 0.08 -0.60 0.58 117.98 119.67 1yae s PHE 459 Ca -0.08 0.05 -0.15 0.00 0.12 0.00 0.00 56.93 56.87 1yae s PHE 459 Cb 0.16 -1.75 0.03 0.00 -0.57 0.00 0.00 43.02 40.88 1yae s PHE 459 CO 0.77 0.25 0.66 -1.83 -0.10 0.00 0.00 175.22 174.97 1yae s GLU 460 N -4.12 1.92 0.00 0.44 -1.05 -0.67 -4.71 118.70 110.51 1yae s GLU 460 Ca 0.38 -1.32 0.00 0.00 -0.15 0.00 0.00 54.97 53.88 1yae s GLU 460 Cb -0.09 0.56 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 1yae s GLU 460 CO 0.31 -0.86 0.00 0.41 0.95 0.00 0.00 175.26 176.07 1yae n GLY 461 N -0.49 2.62 0.18 -3.83 0.00 -1.26 -0.32 105.19 102.09 1yae n GLY 461 Ca -0.04 -2.06 -0.08 0.00 0.00 0.00 0.00 46.02 43.84 1yae n GLY 461 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1yae h TYR 462 N 0.00 -0.31 -0.36 1.61 3.20 -0.74 -1.14 116.97 119.23 1yae h TYR 462 Ca 0.00 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.94 1yae h TYR 462 Cb 0.00 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1yae h TYR 462 CO 0.00 -0.19 0.24 0.00 -1.64 0.00 0.00 178.16 176.57 1yae h ILE 464 N 0.30 1.32 -0.35 0.00 5.03 -1.38 -0.82 117.51 121.61 1yae h ILE 464 Ca 0.15 -1.57 -0.03 0.00 -0.12 0.00 0.00 64.86 63.29 1yae h ILE 464 Cb 0.23 1.81 -0.02 0.00 -3.03 0.00 0.00 36.82 35.82 1yae h ILE 464 CO -0.03 0.49 0.12 0.44 -0.68 0.00 0.00 178.15 178.49 1yae h ASP 465 N 0.31 0.51 -0.64 1.72 3.32 -0.70 -1.84 116.42 119.09 1yae h ASP 465 Ca 0.02 -0.19 0.10 0.00 0.02 0.00 0.00 57.03 56.98 1yae h ASP 465 Cb 0.95 -0.13 -0.08 0.00 0.22 0.00 0.00 39.33 40.29 1yae h ASP 465 CO 0.08 0.56 0.24 0.25 -1.72 0.00 0.00 179.24 178.65 1yae h LEU 466 N 0.42 0.22 0.22 1.55 5.85 -0.79 0.43 115.31 123.22 1yae h LEU 466 Ca 0.12 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1yae h LEU 466 Cb 0.23 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1yae h LEU 466 CO -0.01 0.12 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.98 1yae h LEU 467 N 0.41 -0.43 -0.60 2.25 3.38 -0.92 0.17 115.31 119.55 1yae h LEU 467 Ca 0.33 0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.46 1yae h LEU 467 Cb 0.43 0.14 -0.10 0.00 0.09 0.00 0.00 40.66 41.22 1yae h LEU 467 CO -0.33 -0.26 -0.03 0.03 0.09 0.00 0.00 178.44 177.94 1yae h ARG 468 N -0.40 0.09 0.25 1.13 3.08 -0.77 0.25 114.38 118.00 1yae h ARG 468 Ca -0.01 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1yae h ARG 468 Cb 0.35 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1yae h ARG 468 CO -0.01 0.06 -0.12 1.49 -1.07 0.00 0.00 179.97 180.32 1yae h GLU 469 N 0.09 -0.32 -0.85 0.04 4.57 -0.46 0.39 114.58 118.05 1yae h GLU 469 Ca 0.31 0.02 0.06 0.00 -1.18 0.00 0.00 59.36 58.57 1yae h GLU 469 Cb 0.50 0.07 -0.05 0.00 -0.16 0.00 0.00 28.75 29.11 1yae h GLU 469 CO -0.54 -0.11 0.55 -0.07 -1.18 0.00 0.00 179.01 177.67 1yae h LEU 470 N -0.47 0.84 -0.42 1.64 3.38 -0.23 -2.01 115.31 118.04 1yae h LEU 470 Ca -0.03 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1yae h LEU 470 Cb 0.35 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1yae h LEU 470 CO 0.06 0.55 -0.01 0.77 0.09 0.00 0.00 178.44 179.89 1yae h SER 471 N 0.96 0.73 -0.40 -0.43 4.64 -0.16 0.59 113.55 119.48 1yae h SER 471 Ca 0.36 -0.31 0.04 0.00 -0.47 0.00 0.00 61.79 61.41 1yae h SER 471 Cb 0.19 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 62.04 1yae h SER 471 CO -0.13 0.87 0.16 0.74 -0.87 0.00 0.00 176.83 177.60 1yae h THR 472 N 0.58 0.91 0.45 2.95 2.02 -0.24 0.64 112.91 120.22 1yae h THR 472 Ca 0.12 -0.12 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1yae h THR 472 Cb 0.50 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1yae h THR 472 CO 0.02 0.06 -0.22 0.40 0.37 0.00 0.00 175.52 176.16 1yae h ILE 473 N 0.34 0.47 0.00 3.11 1.08 -1.31 -3.31 117.51 117.89 1yae h ILE 473 Ca 0.18 -0.43 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1yae h ILE 473 Cb 0.14 0.64 0.00 0.00 -3.07 0.00 0.00 36.82 34.53 1yae h ILE 473 CO -0.17 0.07 -0.21 0.18 -0.69 0.00 0.00 178.15 177.33 1yae n LEU 474 N -5.25 0.44 -1.62 1.44 4.77 0.19 -2.06 117.00 114.92 1yae n LEU 474 Ca -0.11 0.37 -0.14 0.00 -0.03 0.00 0.00 56.01 56.11 1yae n LEU 474 Cb 0.30 -0.34 -0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1yae n LEU 474 CO 0.31 -0.03 -0.16 0.61 -1.33 0.00 0.00 177.39 176.78 1yae n GLY 475 N 1.42 -0.20 3.98 -0.72 0.00 0.22 -3.00 105.19 106.90 1yae n GLY 475 Ca 0.06 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 1yae n GLY 475 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1yae s PHE 476 N -2.71 3.34 0.07 1.61 -0.71 -1.24 -3.99 117.98 114.35 1yae s PHE 476 Ca 0.02 -0.08 0.02 0.00 -1.04 0.00 0.00 56.93 55.85 1yae s PHE 476 Cb -0.01 -1.71 -0.04 0.00 -1.21 0.00 0.00 43.02 40.06 1yae s PHE 476 CO 0.02 0.29 0.11 0.95 -1.34 0.00 0.00 175.22 175.26 1yae s THR 477 N -2.04 4.77 -0.01 -4.49 -4.23 -0.89 -4.82 115.64 103.93 1yae s THR 477 Ca 0.38 -0.65 -0.09 0.00 -1.18 0.00 0.00 61.69 60.15 1yae s THR 477 Cb -0.09 -3.30 0.01 0.00 1.34 0.00 0.00 72.50 70.46 1yae s THR 477 CO 0.30 0.14 0.19 -0.72 -0.54 0.00 0.00 174.62 173.99 1yae s TYR 478 N -1.41 -0.05 -0.16 3.99 1.13 -1.26 0.11 117.35 119.70 1yae s TYR 478 Ca 0.30 0.06 0.01 0.00 -1.41 0.00 0.00 57.07 56.03 1yae s TYR 478 Cb -0.12 0.00 0.01 0.00 -1.10 0.00 0.00 41.96 40.75 1yae s TYR 478 CO 0.23 -0.29 -0.20 -2.00 -2.51 0.00 0.00 175.55 170.79 1yae s GLU 479 N -1.17 3.04 0.12 -3.49 2.12 0.54 -4.91 118.70 114.96 1yae s GLU 479 Ca -0.12 -0.82 -0.28 0.00 0.36 0.00 0.00 54.97 54.10 1yae s GLU 479 Cb -0.06 -2.54 -0.06 0.00 0.26 0.00 0.00 34.13 31.72 1yae s GLU 479 CO 0.02 -0.10 0.88 0.42 -0.54 0.00 0.00 175.26 175.94 1yae s ILE 480 N 1.05 4.48 -0.03 -3.70 1.01 -1.26 -0.59 121.20 122.17 1yae s ILE 480 Ca -0.01 1.90 -0.00 0.00 0.00 0.00 0.00 60.65 62.54 1yae s ILE 480 Cb -0.14 -4.24 0.03 0.00 0.01 0.00 0.00 42.46 38.11 1yae s ILE 480 CO -0.07 0.39 0.04 -0.13 0.00 0.00 0.00 174.94 175.17 1yae s ARG 481 N -0.35 -0.02 0.40 2.79 0.52 0.77 -4.82 118.95 118.23 1yae s ARG 481 Ca 0.42 0.23 -0.26 0.00 -0.52 0.00 0.00 55.73 55.60 1yae s ARG 481 Cb -0.23 -0.33 -0.09 0.00 0.52 0.00 0.00 34.95 34.82 1yae s ARG 481 CO 0.28 -0.21 1.29 -0.51 0.02 0.00 0.00 175.30 176.17 1yae s LEU 482 N 1.35 4.23 0.02 2.53 2.01 -1.26 -1.60 118.68 125.95 1yae s LEU 482 Ca -0.05 2.62 -0.36 0.00 0.01 0.00 0.00 54.13 56.35 1yae s LEU 482 Cb -0.13 -3.90 -0.14 0.00 0.01 0.00 0.00 46.19 42.03 1yae s LEU 482 CO -0.03 -0.81 1.60 0.52 1.01 0.00 0.00 176.35 178.64 1yae n VAL 483 N 0.16 0.17 -0.17 -1.59 0.31 0.54 -4.79 118.33 112.97 1yae n VAL 483 Ca 0.04 -0.03 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 1yae n VAL 483 Cb 0.44 -1.36 0.02 0.00 -0.91 0.00 0.00 33.84 32.03 1yae n VAL 483 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 1yae h GLU 484 N 6.45 0.67 0.00 5.55 4.22 -1.91 -2.21 114.58 127.34 1yae h GLU 484 Ca -0.47 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.93 1yae h GLU 484 Cb 1.29 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1yae h GLU 484 CO 0.88 0.46 0.00 0.22 -2.18 0.00 0.00 179.01 178.39 1yae h ASP 485 N 0.68 0.00 -0.59 1.04 3.58 -1.91 -3.47 116.42 115.74 1yae h ASP 485 Ca 0.18 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.51 1yae h ASP 485 Cb -0.06 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 40.97 1yae h ASP 485 CO -0.04 0.00 -0.14 0.61 -2.88 0.00 0.00 179.24 176.80 1yae n GLY 486 N 1.15 0.46 3.34 -0.78 0.00 -0.83 -5.04 105.19 103.49 1yae n GLY 486 Ca 0.05 -0.70 -0.18 0.00 0.00 0.00 0.00 46.02 45.18 1yae n GLY 486 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yae s LYS 487 N -3.46 1.33 -0.10 1.61 1.02 -1.26 -5.06 119.74 113.82 1yae s LYS 487 Ca 0.00 -1.62 -0.27 0.00 0.02 0.00 0.00 55.97 54.09 1yae s LYS 487 Cb 0.00 -0.97 -0.25 0.00 -0.52 0.00 0.00 37.83 36.09 1yae s LYS 487 CO 0.00 0.09 0.91 1.88 -0.92 0.00 0.00 175.35 177.31 1yae h TYR 488 N 2.52 0.06 0.00 3.18 -1.99 -1.94 -1.34 116.97 117.47 1yae h TYR 488 Ca -0.38 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.31 1yae h TYR 488 Cb 1.22 -0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.94 1yae h TYR 488 CO 0.68 0.90 0.00 0.41 -0.00 0.00 0.00 178.16 180.15 1yae n GLY 489 N 1.26 1.61 3.53 3.88 0.00 -1.26 -0.94 105.19 113.26 1yae n GLY 489 Ca -0.10 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.65 1yae n GLY 489 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yae s ALA 490 N 0.00 2.89 -0.15 4.61 0.00 -1.26 -4.81 121.76 123.04 1yae s ALA 490 Ca 0.00 -1.79 -0.15 0.00 0.00 0.00 0.00 51.96 50.02 1yae s ALA 490 Cb 0.00 -0.44 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1yae s ALA 490 CO 0.00 0.28 0.35 -1.14 0.00 0.00 0.00 175.76 175.25 1yae s GLN 491 N -3.55 4.28 0.08 0.00 0.74 -1.26 -2.44 119.66 117.51 1yae s GLN 491 Ca 0.30 0.20 -0.31 0.00 0.05 0.00 0.00 55.36 55.61 1yae s GLN 491 Cb -0.06 -3.43 -0.09 0.00 1.10 0.00 0.00 33.01 30.54 1yae s GLN 491 CO 0.17 0.21 1.69 0.34 -0.55 0.00 0.00 175.29 177.15 1yae s ASP 492 N 0.51 6.57 0.10 6.67 -1.08 0.39 -4.85 116.67 124.98 1yae s ASP 492 Ca 0.19 2.53 -0.32 0.00 -0.52 0.00 0.00 52.55 54.44 1yae s ASP 492 Cb -0.14 -2.56 -0.12 0.00 -1.46 0.00 0.00 42.92 38.64 1yae s ASP 492 CO 0.06 -0.91 1.59 0.44 0.52 0.00 0.00 175.17 176.87 1yae h ASP 493 N 8.41 -1.14 0.20 -0.34 3.32 -1.96 0.39 116.42 125.30 1yae h ASP 493 Ca -0.43 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.73 1yae h ASP 493 Cb 1.20 0.40 -0.02 0.00 0.22 0.00 0.00 39.33 41.14 1yae h ASP 493 CO 0.93 -0.52 -0.33 0.58 -1.72 0.00 0.00 179.24 178.19 1yae h VAL 494 N -0.73 0.00 -0.26 -1.35 2.07 -2.00 -3.34 116.25 110.64 1yae h VAL 494 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1yae h VAL 494 Cb 0.70 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.47 1yae h VAL 494 CO -0.15 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 176.98 1yae n ASN 495 N -4.34 3.29 -4.12 0.57 6.94 -1.24 -5.01 115.26 111.35 1yae n ASN 495 Ca -0.07 -2.56 -0.31 0.00 -0.02 0.00 0.00 54.58 51.63 1yae n ASN 495 Cb 0.28 -0.38 -0.03 0.00 -2.36 0.00 0.00 39.78 37.28 1yae n ASN 495 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1yae n GLY 496 N -0.17 -0.31 3.58 4.83 0.00 0.14 -4.95 105.19 108.31 1yae n GLY 496 Ca 0.16 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.99 1yae n GLY 496 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yae s GLN 497 N -6.82 2.64 0.29 1.61 -0.21 -1.24 -4.75 119.66 111.17 1yae s GLN 497 Ca 0.33 -0.64 -0.17 0.00 0.02 0.00 0.00 55.36 54.90 1yae s GLN 497 Cb -0.18 -2.53 -0.09 0.00 1.00 0.00 0.00 33.01 31.21 1yae s GLN 497 CO 0.92 0.63 0.74 -1.58 -2.12 0.00 0.00 175.29 173.88 1yae s TRP 498 N -0.89 3.47 0.03 0.91 0.52 -1.26 -0.46 118.94 121.26 1yae s TRP 498 Ca 0.14 1.29 -0.01 0.00 0.02 0.00 0.00 56.10 57.55 1yae s TRP 498 Cb -0.11 -2.58 -0.01 0.00 -1.15 0.00 0.00 33.47 29.63 1yae s TRP 498 CO 0.04 0.17 -0.02 0.27 0.02 0.00 0.00 176.95 177.43 1yae n ASN 499 N 0.01 0.61 0.00 2.95 6.94 -1.02 -4.59 115.26 120.16 1yae n ASN 499 Ca 0.02 0.08 0.00 0.00 -0.02 0.00 0.00 54.58 54.66 1yae n ASN 499 Cb 0.52 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.75 1yae n ASN 499 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1yae n GLY 500 N 3.12 0.82 0.37 4.83 0.00 -1.26 -4.28 105.19 108.79 1yae n GLY 500 Ca -0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.11 1yae n GLY 500 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 1yae h MET 501 N 0.00 0.62 -0.43 1.61 2.86 0.17 -1.93 114.93 117.83 1yae h MET 501 Ca 0.00 -0.04 0.06 0.00 -2.06 0.00 0.00 59.70 57.66 1yae h MET 501 Cb 0.00 -0.14 -0.05 0.00 0.06 0.00 0.00 31.60 31.47 1yae h MET 501 CO 0.00 0.41 0.14 0.28 1.06 0.00 0.00 176.91 178.80 1yae h VAL 502 N 0.64 0.85 0.02 -2.22 2.07 -1.76 -2.29 116.25 113.56 1yae h VAL 502 Ca 0.40 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.81 1yae h VAL 502 Cb 0.64 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 1yae h VAL 502 CO -0.16 0.06 -0.02 -0.09 0.02 0.00 0.00 177.57 177.37 1yae h ARG 503 N 0.30 -0.05 -1.03 1.57 1.12 -1.55 -2.85 114.38 111.89 1yae h ARG 503 Ca 0.21 0.00 0.26 0.00 -1.11 0.00 0.00 59.98 59.34 1yae h ARG 503 Cb 0.21 0.01 -0.09 0.00 -0.01 0.00 0.00 29.97 30.09 1yae h ARG 503 CO -0.22 -0.03 0.67 0.93 -3.11 0.00 0.00 179.97 178.21 1yae h GLU 504 N -0.05 0.36 -0.06 0.20 4.39 -0.95 -1.40 114.58 117.06 1yae h GLU 504 Ca 0.00 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 1yae h GLU 504 Cb 0.05 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1yae h GLU 504 CO -0.01 0.24 -0.19 -0.07 -1.16 0.00 0.00 179.01 177.81 1yae h LEU 505 N 0.37 0.27 0.31 1.33 3.38 -1.20 0.13 115.31 119.90 1yae h LEU 505 Ca 0.58 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1yae h LEU 505 Cb 1.52 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 42.17 1yae h LEU 505 CO -0.26 0.85 -0.35 0.40 0.09 0.00 0.00 178.44 179.16 1yae h ILE 506 N -0.28 0.28 0.00 1.22 2.04 -1.13 0.33 117.51 119.97 1yae h ILE 506 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1yae h ILE 506 Cb 0.82 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1yae h ILE 506 CO 0.04 0.00 0.00 0.47 0.00 0.00 0.00 178.15 178.66 1yae n ASP 507 N -5.45 0.25 -0.54 1.72 8.00 -0.95 -4.74 116.55 114.84 1yae n ASP 507 Ca -0.09 -0.67 -0.05 0.00 0.71 0.00 0.00 54.79 54.69 1yae n ASP 507 Cb 0.36 -0.13 -0.02 0.00 -0.02 0.00 0.00 41.12 41.31 1yae n ASP 507 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1yae n HIS 508 N 0.13 -0.17 0.25 1.24 8.25 0.12 -4.76 115.22 120.28 1yae n HIS 508 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.56 1yae n HIS 508 Cb 0.06 -1.80 0.66 0.00 1.12 0.00 0.00 29.99 30.03 1yae n HIS 508 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1yae h LYS 509 N 0.00 0.00 -5.72 -0.41 1.57 -0.92 -3.42 116.57 107.67 1yae h LYS 509 Ca -0.10 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 58.20 1yae h LYS 509 Cb 0.66 0.00 -0.17 0.00 0.08 0.00 0.00 32.23 32.80 1yae h LYS 509 CO 0.15 0.13 -0.77 0.00 -0.57 0.00 0.00 179.45 178.38 1yae s ALA 510 N -4.46 1.85 -0.15 3.86 0.00 -1.00 -4.96 121.76 116.89 1yae s ALA 510 Ca -0.04 -1.46 -0.14 0.00 0.00 0.00 0.00 51.96 50.33 1yae s ALA 510 Cb 0.15 -0.13 -0.24 0.00 0.00 0.00 0.00 23.12 22.89 1yae s ALA 510 CO 0.63 0.17 0.34 -0.44 0.00 0.00 0.00 175.76 176.46 1yae h ASP 511 N 3.22 0.26 -4.29 0.00 3.32 -1.05 -3.42 116.42 114.46 1yae h ASP 511 Ca -0.41 -0.77 -0.40 0.00 0.02 0.00 0.00 57.03 55.47 1yae h ASP 511 Cb 1.20 -0.08 -0.26 0.00 0.22 0.00 0.00 39.33 40.42 1yae h ASP 511 CO 0.53 1.69 -0.78 -0.76 -1.72 0.00 0.00 179.24 178.19 1yae s LEU 512 N -7.44 2.13 -0.35 1.55 1.02 -1.12 -4.18 118.68 110.30 1yae s LEU 512 Ca -0.24 -0.37 0.02 0.00 0.02 0.00 0.00 54.13 53.55 1yae s LEU 512 Cb 0.06 -0.49 0.10 0.00 0.02 0.00 0.00 46.19 45.88 1yae s LEU 512 CO 0.70 0.02 0.08 0.00 0.02 0.00 0.00 176.35 177.17 1yae s ALA 513 N -0.71 2.94 -0.49 4.21 0.00 0.32 -1.07 121.76 126.95 1yae s ALA 513 Ca 0.00 -2.43 -0.14 0.00 0.00 0.00 0.00 51.96 49.40 1yae s ALA 513 Cb -0.07 -2.06 0.11 0.00 0.00 0.00 0.00 23.12 21.10 1yae s ALA 513 CO 0.01 -1.65 0.41 0.08 0.00 0.00 0.00 175.76 174.61 1yae s VAL 514 N 1.01 4.93 0.18 0.00 1.01 -1.06 -1.22 120.40 125.25 1yae s VAL 514 Ca 0.08 -1.41 -0.24 0.00 0.00 0.00 0.00 61.98 60.41 1yae s VAL 514 Cb -0.20 -4.09 0.05 0.00 0.00 0.00 0.00 36.38 32.14 1yae s VAL 514 CO -0.06 -0.73 0.82 0.00 0.00 0.00 0.00 175.10 175.13 1yae s ALA 515 N 1.55 -1.50 -0.22 5.51 0.00 -1.26 -4.60 121.76 121.24 1yae s ALA 515 Ca 0.04 0.10 -0.02 0.00 0.00 0.00 0.00 51.96 52.08 1yae s ALA 515 Cb -0.27 0.72 -0.03 0.00 0.00 0.00 0.00 23.12 23.54 1yae s ALA 515 CO 0.03 -0.97 1.33 -0.35 0.00 0.00 0.00 175.76 175.80 1yae n PRO 516 N -0.43 0.66 -3.13 0.00 -0.04 -1.26 -4.76 135.00 126.04 1yae n PRO 516 Ca -0.07 -0.62 -0.43 0.00 -0.04 0.00 0.00 63.50 62.35 1yae n PRO 516 Cb 0.61 -1.96 -0.07 0.00 -0.04 0.00 0.00 33.50 32.04 1yae n PRO 516 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1yae s LEU 517 N 0.02 4.51 0.17 1.53 0.20 -1.26 -5.04 118.68 118.81 1yae s LEU 517 Ca 0.15 -0.33 -0.31 0.00 0.69 0.00 0.00 54.13 54.33 1yae s LEU 517 Cb 0.05 -2.70 -0.09 0.00 -0.43 0.00 0.00 46.19 43.02 1yae s LEU 517 CO -0.01 -0.74 1.46 0.00 -0.29 0.00 0.00 176.35 176.76 1yae s ALA 518 N 2.75 3.66 -0.48 5.97 0.00 -1.26 -3.06 121.76 129.34 1yae s ALA 518 Ca 0.22 1.25 -0.28 0.00 0.00 0.00 0.00 51.96 53.15 1yae s ALA 518 Cb -0.14 -3.57 -0.01 0.00 0.00 0.00 0.00 23.12 19.40 1yae s ALA 518 CO 0.18 -0.69 1.72 0.42 0.00 0.00 0.00 175.76 177.39 1yae s ILE 519 N 0.79 3.53 0.14 0.00 1.01 -0.45 -4.91 121.20 121.32 1yae s ILE 519 Ca 0.65 0.46 0.09 0.00 0.00 0.00 0.00 60.65 61.85 1yae s ILE 519 Cb -0.40 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 1yae s ILE 519 CO 0.34 -0.74 -0.15 -0.89 0.00 0.00 0.00 174.94 173.50 1yae s THR 520 N 7.40 2.96 0.10 2.92 2.01 -1.26 -4.66 115.64 125.11 1yae s THR 520 Ca 0.69 -1.57 -0.27 0.00 0.31 0.00 0.00 61.69 60.85 1yae s THR 520 Cb -0.16 -2.40 -0.11 0.00 0.01 0.00 0.00 72.50 69.84 1yae s THR 520 CO 0.28 0.02 1.65 0.22 -0.69 0.00 0.00 174.62 176.09 1yae h TYR 521 N 3.43 -0.64 -0.35 4.92 3.20 -1.99 0.75 116.97 126.29 1yae h TYR 521 Ca -0.49 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.46 1yae h TYR 521 Cb 1.18 0.26 -0.07 0.00 1.54 0.00 0.00 36.73 39.64 1yae h TYR 521 CO 0.62 -0.35 -0.10 0.28 -1.64 0.00 0.00 178.16 176.97 1yae h VAL 522 N -0.49 0.62 -0.87 1.81 2.07 -2.00 -2.00 116.25 115.39 1yae h VAL 522 Ca 0.01 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1yae h VAL 522 Cb 0.47 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1yae h VAL 522 CO -0.08 0.00 0.48 0.03 0.02 0.00 0.00 177.57 178.01 1yae h ARG 523 N -0.02 1.22 0.00 1.57 3.08 -1.89 -2.63 114.38 115.71 1yae h ARG 523 Ca 0.17 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.05 1yae h ARG 523 Cb 0.28 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1yae h ARG 523 CO -0.37 0.89 -0.13 1.49 -1.07 0.00 0.00 179.97 180.79 1yae h GLU 524 N 1.22 0.00 0.00 0.04 4.57 -0.13 -1.76 114.58 118.53 1yae h GLU 524 Ca 0.31 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.43 1yae h GLU 524 Cb 0.03 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.61 1yae h GLU 524 CO -0.05 0.13 -0.27 0.87 -1.18 0.00 0.00 179.01 178.50 1yae h LYS 525 N 0.00 0.00 0.00 1.92 1.57 -1.05 -3.24 116.57 115.78 1yae h LYS 525 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yae h LYS 525 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1yae h LYS 525 CO 0.02 0.27 -0.78 1.33 -0.57 0.00 0.00 179.45 179.72 1yae n VAL 526 N -3.73 0.00 -4.06 0.50 0.24 -1.02 -5.04 118.33 105.22 1yae n VAL 526 Ca -0.01 -0.26 -0.09 0.00 -2.04 0.00 0.00 64.34 61.95 1yae n VAL 526 Cb 0.38 0.76 -0.10 0.00 -1.47 0.00 0.00 33.84 33.41 1yae n VAL 526 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 1yae s ILE 527 N -2.17 0.28 0.03 1.34 2.07 -0.69 -4.29 121.20 117.76 1yae s ILE 527 Ca 0.01 -1.49 -0.10 0.00 -1.41 0.00 0.00 60.65 57.66 1yae s ILE 527 Cb 0.07 -1.08 -0.05 0.00 0.13 0.00 0.00 42.46 41.52 1yae s ILE 527 CO 0.41 -0.78 0.35 -1.81 -1.91 0.00 0.00 174.94 171.20 1yae s ASP 528 N -2.38 6.63 0.10 4.50 1.11 0.59 -4.32 116.67 122.90 1yae s ASP 528 Ca -0.01 0.76 0.10 0.00 0.18 0.00 0.00 52.55 53.58 1yae s ASP 528 Cb 0.01 -2.17 -0.04 0.00 1.07 0.00 0.00 42.92 41.79 1yae s ASP 528 CO -0.06 0.25 -0.25 -0.36 1.18 0.00 0.00 175.17 175.93 1yae s PHE 529 N -1.26 2.35 1.01 4.23 0.08 -1.26 -0.98 117.98 122.15 1yae s PHE 529 Ca 0.28 -0.37 -0.15 0.00 0.12 0.00 0.00 56.93 56.81 1yae s PHE 529 Cb -0.14 -1.31 0.20 0.00 -0.57 0.00 0.00 43.02 41.19 1yae s PHE 529 CO 0.15 0.28 1.17 -1.54 -0.10 0.00 0.00 175.22 175.18 1yae s SER 530 N -1.80 2.62 0.60 1.36 1.04 0.65 -4.98 113.70 113.18 1yae s SER 530 Ca 0.14 0.73 -0.16 0.00 0.48 0.00 0.00 55.95 57.15 1yae s SER 530 Cb -0.10 -1.11 -0.03 0.00 0.10 0.00 0.00 66.02 64.88 1yae s SER 530 CO 0.05 -3.08 1.07 -0.54 0.98 0.00 0.00 173.24 171.72 1yae s LYS 531 N -5.42 3.26 0.36 4.02 1.02 -1.26 -4.52 119.74 117.19 1yae s LYS 531 Ca 0.68 1.24 -0.27 0.00 0.02 0.00 0.00 55.97 57.64 1yae s LYS 531 Cb -0.11 -2.02 -0.12 0.00 -0.52 0.00 0.00 37.83 35.06 1yae s LYS 531 CO 0.54 -0.86 1.27 -2.30 -0.92 0.00 0.00 175.35 173.09 1yae n PRO 532 N -2.04 2.06 0.00 -1.68 -0.02 -1.26 -4.52 135.00 127.54 1yae n PRO 532 Ca 0.09 0.72 0.10 0.00 -2.02 0.00 0.00 63.50 62.40 1yae n PRO 532 Cb 0.53 -2.32 -0.08 0.00 -0.02 0.00 0.00 33.50 31.60 1yae n PRO 532 CO 0.00 0.00 0.00 1.97 1.98 0.00 0.00 175.50 179.45 1yae n PHE 533 N 0.22 0.02 -3.76 6.00 1.16 -0.08 -4.92 117.46 116.10 1yae n PHE 533 Ca 0.05 0.01 -0.13 0.00 -1.87 0.00 0.00 57.45 55.51 1yae n PHE 533 Cb 0.37 -0.13 -0.11 0.00 -1.61 0.00 0.00 39.48 37.99 1yae n PHE 533 CO 0.00 0.00 0.00 1.41 -1.87 0.00 0.00 176.76 176.30 1yae s MET 534 N -3.09 0.34 0.01 3.97 0.00 -1.24 -5.01 119.30 114.29 1yae s MET 534 Ca 0.06 0.44 0.03 0.00 0.00 0.00 0.00 55.69 56.23 1yae s MET 534 Cb 0.16 0.14 -0.03 0.00 0.00 0.00 0.00 34.83 35.09 1yae s MET 534 CO 0.86 -0.06 -0.06 0.95 0.00 0.00 0.00 175.02 176.71 1yae s THR 535 N 0.32 3.68 0.00 10.11 -4.23 -1.26 -0.91 115.64 123.35 1yae s THR 535 Ca -0.01 -0.81 0.00 0.00 -1.18 0.00 0.00 61.69 59.69 1yae s THR 535 Cb -0.03 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.19 1yae s THR 535 CO -0.01 0.36 0.00 0.00 -0.54 0.00 0.00 174.62 174.43 1yae n LEU 536 N 1.44 0.00 -3.61 4.79 -0.00 -0.93 -4.92 117.00 113.77 1yae n LEU 536 Ca -0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.83 1yae n LEU 536 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.93 1yae n LEU 536 CO 0.31 0.00 0.97 -0.83 -0.00 0.00 0.00 177.39 177.84 1yae s GLY 537 N -0.23 -0.35 0.32 1.47 0.00 -1.26 -0.28 107.32 106.99 1yae s GLY 537 Ca 0.00 1.10 -0.29 0.00 0.00 0.00 0.00 44.72 45.54 1yae s GLY 537 CO 0.00 0.33 1.22 -0.42 0.00 0.00 0.00 173.10 174.23 1yae s ILE 538 N -2.57 3.03 0.19 0.90 1.01 -1.26 -0.27 121.20 122.22 1yae s ILE 538 Ca 0.11 1.02 0.00 0.00 0.00 0.00 0.00 60.65 61.78 1yae s ILE 538 Cb 0.01 -3.65 -0.00 0.00 0.01 0.00 0.00 42.46 38.83 1yae s ILE 538 CO -0.04 0.23 0.24 -0.24 0.00 0.00 0.00 174.94 175.13 1yae n SER 539 N 0.88 -0.67 -4.52 3.58 2.88 0.17 0.23 113.62 116.17 1yae n SER 539 Ca -0.00 -2.08 -0.34 0.00 -1.33 0.00 0.00 58.87 55.12 1yae n SER 539 Cb 0.43 1.29 -0.12 0.00 -0.75 0.00 0.00 64.21 65.06 1yae n SER 539 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1yae s ILE 540 N -2.67 3.77 -0.23 2.46 -1.09 -1.24 -1.53 121.20 120.67 1yae s ILE 540 Ca 0.17 -0.42 -0.02 0.00 -2.23 0.00 0.00 60.65 58.15 1yae s ILE 540 Cb -0.00 -2.60 0.02 0.00 -1.58 0.00 0.00 42.46 38.29 1yae s ILE 540 CO 0.12 0.54 -0.08 -0.22 -1.23 0.00 0.00 174.94 174.08 1yae s LEU 541 N -0.10 2.97 0.37 2.97 1.98 -0.11 -1.31 118.68 125.45 1yae s LEU 541 Ca 0.01 -0.72 0.03 0.00 -2.89 0.00 0.00 54.13 50.57 1yae s LEU 541 Cb -0.13 -1.66 -0.04 0.00 0.66 0.00 0.00 46.19 45.02 1yae s LEU 541 CO 0.03 -0.08 0.09 -0.47 -1.89 0.00 0.00 176.35 174.02 1yae s TYR 542 N 1.36 1.86 0.16 5.38 5.04 -0.42 -1.30 117.35 129.44 1yae s TYR 542 Ca 0.02 -1.11 -0.27 0.00 -2.44 0.00 0.00 57.07 53.27 1yae s TYR 542 Cb -0.15 -1.23 -0.08 0.00 0.35 0.00 0.00 41.96 40.85 1yae s TYR 542 CO -0.05 -0.13 0.83 0.50 -1.34 0.00 0.00 175.55 175.36 1yae s ARG 543 N -3.82 4.64 -0.64 4.97 3.52 -1.26 -1.34 118.95 125.02 1yae s ARG 543 Ca 0.29 1.25 -0.26 0.00 -0.13 0.00 0.00 55.73 56.89 1yae s ARG 543 Cb 0.06 -3.29 -0.06 0.00 -1.56 0.00 0.00 34.95 30.09 1yae s ARG 543 CO 0.14 0.49 2.16 0.21 -0.81 0.00 0.00 175.30 177.49 1yae s LYS 544 N -0.89 2.25 0.19 5.12 2.20 0.40 -4.75 119.74 124.26 1yae s LYS 544 Ca 0.38 0.74 0.00 0.00 -0.36 0.00 0.00 55.97 56.74 1yae s LYS 544 Cb -0.23 -4.62 0.00 0.00 -1.51 0.00 0.00 37.83 31.46 1yae s LYS 544 CO 0.28 -3.31 0.00 -0.89 -0.36 0.00 0.00 175.35 171.06 1yae n ILE 668 N 7.85-11.28 -2.59 5.43 -0.00 -1.26 -5.00 119.36 112.51 1yae n ILE 668 Ca 0.34 2.92 -0.02 0.00 -0.00 0.00 0.00 62.75 65.99 1yae n ILE 668 Cb 0.51 -4.69 0.08 0.00 -0.00 0.00 0.00 39.64 35.54 1yae n ILE 668 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 1yae n ASP 669 N 1.84 -0.61 -3.82 4.38 5.75 -1.26 -4.96 116.55 117.86 1yae n ASP 669 Ca 0.00 -2.13 -0.11 0.00 -0.01 0.00 0.00 54.79 52.54 1yae n ASP 669 Cb 0.00 0.32 -0.08 0.00 -1.03 0.00 0.00 41.12 40.33 1yae n ASP 669 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1yae s SER 670 N -1.73 -0.02 0.35 -1.12 0.15 -1.26 -3.78 113.70 106.29 1yae s SER 670 Ca 0.13 -0.28 0.03 0.00 0.70 0.00 0.00 55.95 56.53 1yae s SER 670 Cb 0.35 0.30 0.65 0.00 -1.71 0.00 0.00 66.02 65.61 1yae s SER 670 CO -0.09 -0.54 1.98 0.00 1.20 0.00 0.00 173.24 175.79 1yae h ALA 671 N 3.53 1.52 0.04 5.45 0.00 -1.97 -2.91 119.26 124.93 1yae h ALA 671 Ca -0.32 -0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.26 1yae h ALA 671 Cb 1.19 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1yae h ALA 671 CO 0.46 0.40 -1.24 0.38 0.00 0.00 0.00 179.25 179.26 1yae h ASP 672 N 0.73 0.15 -0.14 0.00 3.04 -1.96 -1.74 116.42 116.50 1yae h ASP 672 Ca 0.19 -0.18 0.04 0.00 -3.24 0.00 0.00 57.03 53.84 1yae h ASP 672 Cb 0.02 -0.05 -0.01 0.00 -1.04 0.00 0.00 39.33 38.25 1yae h ASP 672 CO -0.03 1.14 0.50 0.44 -2.04 0.00 0.00 179.24 179.26 1yae h ASP 673 N 0.03 0.00 0.00 4.15 3.32 -1.89 0.85 116.42 122.88 1yae h ASP 673 Ca -0.11 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.54 1yae h ASP 673 Cb 1.89 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.38 1yae h ASP 673 CO 0.14 0.00 -2.16 -0.11 -1.72 0.00 0.00 179.24 175.39 1yae n LEU 674 N -3.03 1.98 -0.02 1.55 7.94 -1.11 -4.32 117.00 119.99 1yae n LEU 674 Ca 0.02 0.34 -0.00 0.00 -1.11 0.00 0.00 56.01 55.25 1yae n LEU 674 Cb 0.58 -0.87 0.28 0.00 0.53 0.00 0.00 43.42 43.95 1yae n LEU 674 CO 0.15 0.51 0.95 0.00 -1.11 0.00 0.00 177.39 177.88 1yae h ALA 675 N -0.79 1.36 0.00 1.96 0.00 -0.78 -2.14 119.26 118.87 1yae h ALA 675 Ca -0.59 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.12 1yae h ALA 675 Cb 1.55 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1yae h ALA 675 CO -0.34 0.45 0.00 1.63 0.00 0.00 0.00 179.25 180.99 1yae n LYS 676 N -4.28 0.83 -4.35 0.00 5.02 0.24 -4.84 118.16 110.77 1yae n LYS 676 Ca 0.02 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.11 1yae n LYS 676 Cb 0.24 -1.25 -0.09 0.00 -0.02 0.00 0.00 35.03 33.91 1yae n LYS 676 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1yae s GLN 677 N -2.00 1.66 0.00 1.97 1.03 -0.80 -5.07 119.66 116.45 1yae s GLN 677 Ca 0.20 -1.96 0.00 0.00 0.04 0.00 0.00 55.36 53.63 1yae s GLN 677 Cb 0.09 -0.10 0.00 0.00 0.03 0.00 0.00 33.01 33.03 1yae s GLN 677 CO 0.15 -0.49 0.00 -2.37 -2.54 0.00 0.00 175.29 170.05 1yae n THR 678 N -0.63 0.00 0.37 3.63 5.66 -1.26 -4.92 114.28 117.12 1yae n THR 678 Ca 0.01 0.00 -0.16 0.00 -3.05 0.00 0.00 64.05 60.85 1yae n THR 678 Cb 0.64 0.14 -0.08 0.00 -1.55 0.00 0.00 70.33 69.48 1yae n THR 678 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 1yae h LYS 679 N 0.00 -0.97 -5.64 1.09 3.64 -1.98 -3.42 116.57 109.29 1yae h LYS 679 Ca 0.00 0.07 -0.60 0.00 -1.27 0.00 0.00 60.65 58.84 1yae h LYS 679 Cb 0.02 0.22 -0.10 0.00 -0.41 0.00 0.00 32.23 31.96 1yae h LYS 679 CO 0.00 -0.65 0.27 0.42 -2.27 0.00 0.00 179.45 177.22 1yae s ILE 680 N -5.37 4.93 0.56 2.00 1.01 -1.26 -5.07 121.20 118.00 1yae s ILE 680 Ca -0.16 1.30 -0.16 0.00 0.00 0.00 0.00 60.65 61.63 1yae s ILE 680 Cb 0.02 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.43 1yae s ILE 680 CO 0.48 0.00 1.03 -1.61 0.00 0.00 0.00 174.94 174.85 1yae s GLU 681 N 2.54 3.58 0.01 2.79 2.02 -1.11 -4.86 118.70 123.67 1yae s GLU 681 Ca 0.30 1.13 -0.10 0.00 0.02 0.00 0.00 54.97 56.32 1yae s GLU 681 Cb -0.15 -2.07 0.01 0.00 0.10 0.00 0.00 34.13 32.01 1yae s GLU 681 CO 0.08 -0.59 0.20 1.52 0.02 0.00 0.00 175.26 176.50 1yae s TYR 682 N -2.47 -0.01 0.14 1.61 -0.85 -1.26 -0.81 117.35 113.71 1yae s TYR 682 Ca 0.62 -0.10 -0.10 0.00 -0.52 0.00 0.00 57.07 56.98 1yae s TYR 682 Cb -0.14 -0.01 0.04 0.00 0.38 0.00 0.00 41.96 42.23 1yae s TYR 682 CO 0.33 -0.37 0.50 0.41 -1.52 0.00 0.00 175.55 174.90 1yae n GLY 683 N 1.09 1.14 3.29 5.49 0.00 -1.01 -4.83 105.19 110.36 1yae n GLY 683 Ca -0.21 -1.08 -0.18 0.00 0.00 0.00 0.00 46.02 44.55 1yae n GLY 683 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yae s ALA 684 N -1.56 1.64 -0.01 4.61 0.00 -1.26 -0.27 121.76 124.90 1yae s ALA 684 Ca 0.11 -1.96 -0.30 0.00 0.00 0.00 0.00 51.96 49.81 1yae s ALA 684 Cb -0.02 1.44 -0.05 0.00 0.00 0.00 0.00 23.12 24.48 1yae s ALA 684 CO 0.04 -0.66 1.43 0.08 0.00 0.00 0.00 175.76 176.65 1yae s VAL 685 N -3.53 3.70 0.19 0.00 1.01 -1.26 -1.47 120.40 119.04 1yae s VAL 685 Ca 0.39 1.06 -0.31 0.00 0.00 0.00 0.00 61.98 63.12 1yae s VAL 685 Cb 0.03 -3.68 -0.11 0.00 0.00 0.00 0.00 36.38 32.62 1yae s VAL 685 CO 0.24 -0.02 1.59 -0.70 0.00 0.00 0.00 175.10 176.21 1yae s GLU 686 N 2.65 4.20 -1.96 2.72 2.12 -0.19 -2.40 118.70 125.84 1yae s GLU 686 Ca 0.65 2.42 0.00 0.00 0.36 0.00 0.00 54.97 58.39 1yae s GLU 686 Cb -0.31 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 30.95 1yae s GLU 686 CO 0.26 -0.62 0.00 -0.25 -0.54 0.00 0.00 175.26 174.11 1yae n ASP 687 N 3.69 -5.25 -4.88 -1.70 8.00 -1.26 -5.00 116.55 110.16 1yae n ASP 687 Ca 0.13 0.44 -0.22 0.00 0.71 0.00 0.00 54.79 55.86 1yae n ASP 687 Cb 0.38 -4.38 0.06 0.00 -0.02 0.00 0.00 41.12 37.16 1yae n ASP 687 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1yae s GLY 688 N -2.78 1.80 0.31 0.44 0.00 -1.01 -4.77 107.32 101.32 1yae s GLY 688 Ca 0.00 -1.57 0.03 0.00 0.00 0.00 0.00 44.72 43.17 1yae s GLY 688 CO 0.00 -1.18 1.90 0.00 0.00 0.00 0.00 173.10 173.82 1yae h ALA 689 N -0.09 1.59 0.19 3.20 0.00 -1.95 -0.21 119.26 121.99 1yae h ALA 689 Ca -0.39 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1yae h ALA 689 Cb 1.28 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1yae h ALA 689 CO 0.46 0.25 -0.12 1.15 0.00 0.00 0.00 179.25 181.00 1yae h THR 690 N 0.94 0.75 0.11 0.00 2.02 -1.93 -1.21 112.91 113.59 1yae h THR 690 Ca 0.41 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.58 1yae h THR 690 Cb 0.33 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1yae h THR 690 CO -0.17 0.00 -0.05 -0.03 0.37 0.00 0.00 175.52 175.64 1yae h MET 691 N -0.29 -0.15 -0.92 6.66 -1.53 -1.59 -2.76 114.93 114.36 1yae h MET 691 Ca -0.02 0.01 0.24 0.00 -3.44 0.00 0.00 59.70 56.49 1yae h MET 691 Cb 0.25 0.03 -0.06 0.00 -0.55 0.00 0.00 31.60 31.27 1yae h MET 691 CO 0.02 -0.03 0.63 1.15 0.14 0.00 0.00 176.91 178.82 1yae h THR 692 N -0.23 0.60 -0.12 -0.77 2.02 -0.94 -0.53 112.91 112.94 1yae h THR 692 Ca -0.02 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.12 1yae h THR 692 Cb 0.19 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 1yae h THR 692 CO 0.03 0.04 -0.05 0.15 0.37 0.00 0.00 175.52 176.05 1yae h PHE 693 N 0.21 -0.11 -0.07 3.16 3.57 -0.91 -1.53 116.94 121.26 1yae h PHE 693 Ca 0.47 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.90 1yae h PHE 693 Cb 1.48 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.29 1yae h PHE 693 CO -0.00 -0.08 -0.27 0.74 -2.23 0.00 0.00 178.31 176.47 1yae h PHE 694 N -0.04 0.41 -0.88 0.41 0.04 -1.19 -1.79 116.94 113.91 1yae h PHE 694 Ca 0.06 -0.17 0.24 0.00 2.80 0.00 0.00 57.97 60.90 1yae h PHE 694 Cb 0.13 -0.07 -0.14 0.00 2.20 0.00 0.00 35.95 38.07 1yae h PHE 694 CO -0.18 0.89 0.25 -0.22 -0.60 0.00 0.00 178.31 178.46 1yae h LYS 695 N -0.18 0.21 0.00 1.51 1.63 -1.24 -2.41 116.57 116.08 1yae h LYS 695 Ca -0.01 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1yae h LYS 695 Cb 0.91 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 1yae h LYS 695 CO 0.06 0.14 -0.77 0.87 -3.45 0.00 0.00 179.45 176.30 1yae h LYS 696 N 0.22 0.00 -6.65 1.90 1.79 -1.21 -3.48 116.57 109.13 1yae h LYS 696 Ca 0.56 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 58.51 1yae h LYS 696 Cb 1.13 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 31.81 1yae h LYS 696 CO -0.65 0.00 0.60 0.45 -1.08 0.00 0.00 179.45 178.77 1yae s SER 697 N -5.13 7.00 0.00 0.86 0.15 -0.68 -4.93 113.70 110.98 1yae s SER 697 Ca 0.02 2.29 0.24 0.00 0.70 0.00 0.00 55.95 59.20 1yae s SER 697 Cb 0.10 -2.60 0.26 0.00 -1.71 0.00 0.00 66.02 62.07 1yae s SER 697 CO 0.76 -0.45 1.26 0.29 1.20 0.00 0.00 173.24 176.29 1yae n LYS 698 N 2.72 1.28 -2.28 5.44 4.01 -1.26 -4.31 118.16 123.75 1yae n LYS 698 Ca 0.06 -0.99 -0.41 0.00 -0.51 0.00 0.00 58.31 56.46 1yae n LYS 698 Cb 0.44 -1.48 -0.03 0.00 -0.51 0.00 0.00 35.03 33.45 1yae n LYS 698 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1yae s ILE 699 N -2.40 3.21 0.17 -0.18 -1.09 -1.26 -4.94 121.20 114.71 1yae s ILE 699 Ca 0.22 1.11 -0.15 0.00 -2.23 0.00 0.00 60.65 59.60 1yae s ILE 699 Cb 0.19 -3.71 0.05 0.00 -1.58 0.00 0.00 42.46 37.41 1yae s ILE 699 CO 0.51 0.22 1.81 0.77 -1.23 0.00 0.00 174.94 177.03 1yae h SER 700 N 4.40 0.48 0.01 3.58 4.64 -1.98 -1.95 113.55 122.73 1yae h SER 700 Ca -0.46 -0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.88 1yae h SER 700 Cb 1.22 -0.10 -0.04 0.00 -0.31 0.00 0.00 62.40 63.16 1yae h SER 700 CO 0.71 0.34 -0.21 0.74 -0.87 0.00 0.00 176.83 177.54 1yae h THR 701 N 0.58 0.50 -0.03 2.95 2.02 -1.98 0.33 112.91 117.28 1yae h THR 701 Ca 0.18 0.00 -0.18 0.00 0.77 0.00 0.00 66.41 67.18 1yae h THR 701 Cb -0.01 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1yae h THR 701 CO -0.07 0.00 -0.79 1.88 0.37 0.00 0.00 175.52 176.91 1yae h TYR 702 N -0.35 0.36 -0.14 3.16 0.05 -1.91 -0.76 116.97 117.39 1yae h TYR 702 Ca 0.06 -0.18 -0.12 0.00 0.05 0.00 0.00 58.73 58.54 1yae h TYR 702 Cb 0.42 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.10 1yae h TYR 702 CO -0.25 0.94 -0.45 0.22 -1.05 0.00 0.00 178.16 177.58 1yae h ASP 703 N 0.16 0.36 -0.21 3.88 3.58 -1.29 0.16 116.42 123.06 1yae h ASP 703 Ca -0.04 -0.17 0.03 0.00 0.42 0.00 0.00 57.03 57.28 1yae h ASP 703 Cb 1.38 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 42.30 1yae h ASP 703 CO 0.12 0.77 0.01 0.50 -2.88 0.00 0.00 179.24 177.77 1yae h LYS 704 N 0.28 0.09 -0.19 0.28 3.11 0.51 -2.10 116.57 118.54 1yae h LYS 704 Ca 0.02 -0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 57.74 1yae h LYS 704 Cb 0.90 -0.02 -0.01 0.00 -1.00 0.00 0.00 32.23 32.10 1yae h LYS 704 CO 0.07 0.06 -0.37 0.52 -2.81 0.00 0.00 179.45 176.92 1yae h MET 705 N 0.09 0.41 -0.59 1.90 2.86 -0.85 -2.67 114.93 116.08 1yae h MET 705 Ca 0.10 -0.19 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1yae h MET 705 Cb 0.11 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 1yae h MET 705 CO -0.15 0.73 0.18 2.35 1.06 0.00 0.00 176.91 181.08 1yae h TRP 706 N 0.35 0.96 -0.41 -0.22 2.91 -0.60 -1.97 115.95 116.98 1yae h TRP 706 Ca 0.04 -0.10 0.06 0.00 1.13 0.00 0.00 58.89 60.02 1yae h TRP 706 Cb 0.82 -0.28 -0.05 0.00 -0.51 0.00 0.00 29.16 29.14 1yae h TRP 706 CO 0.02 0.80 0.10 0.00 -1.03 0.00 0.00 178.44 178.33 1yae h ALA 707 N 1.05 0.46 0.11 2.65 0.00 -1.10 0.16 119.26 122.59 1yae h ALA 707 Ca 0.19 0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.20 1yae h ALA 707 Cb 0.29 0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 1yae h ALA 707 CO -0.01 -0.30 -0.39 0.35 0.00 0.00 0.00 179.25 178.91 1yae h PHE 708 N 0.23 -1.08 -0.42 0.00 3.04 -1.15 -1.83 116.94 115.74 1yae h PHE 708 Ca 0.20 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.08 1yae h PHE 708 Cb 0.23 0.46 -0.02 0.00 2.56 0.00 0.00 35.95 39.18 1yae h PHE 708 CO -0.19 -0.49 -0.12 0.52 -2.02 0.00 0.00 178.31 176.01 1yae h MET 709 N -0.61 0.76 0.00 1.11 0.00 -1.17 -2.60 114.93 112.42 1yae h MET 709 Ca 0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 59.70 59.47 1yae h MET 709 Cb 0.65 -0.06 0.00 0.00 0.00 0.00 0.00 31.60 32.18 1yae h MET 709 CO -0.23 0.85 -0.00 1.03 0.00 0.00 0.00 176.91 178.55 1yae h SER 710 N 0.69 -0.00 0.00 1.22 0.87 -0.58 -0.72 113.55 115.02 1yae h SER 710 Ca 0.12 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1yae h SER 710 Cb 0.59 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1yae h SER 710 CO 0.04 0.04 -0.01 0.77 -0.53 0.00 0.00 176.83 177.14 1yae h SER 711 N -0.05 0.02 -0.62 6.23 4.64 -1.22 -2.73 113.55 119.81 1yae h SER 711 Ca -0.00 -0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.92 1yae h SER 711 Cb 0.05 -0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 61.90 1yae h SER 711 CO 0.00 0.03 -0.04 0.54 -0.87 0.00 0.00 176.83 176.49 1yae n ARG 712 N -4.51 2.47 -0.37 4.77 1.74 -0.98 -4.90 116.66 114.88 1yae n ARG 712 Ca -0.03 -3.45 -0.05 0.00 -0.77 0.00 0.00 57.85 53.55 1yae n ARG 712 Cb 0.10 -2.05 -0.01 0.00 -1.02 0.00 0.00 32.46 29.48 1yae n ARG 712 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1yae h ARG 713 N 1.49 -0.03 0.00 5.56 2.43 -0.82 -1.79 114.38 121.22 1yae h ARG 713 Ca 0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.54 1yae h ARG 713 Cb 1.55 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.11 1yae h ARG 713 CO 0.76 -0.02 -0.09 0.37 -1.51 0.00 0.00 179.97 179.48 1yae h GLN 714 N -0.03 0.00 0.00 0.20 4.15 -1.89 -2.65 115.11 114.90 1yae h GLN 714 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1yae h GLN 714 Cb 0.53 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1yae h GLN 714 CO -0.93 0.00 -1.87 -1.13 -1.93 0.00 0.00 178.83 172.97 1yae n SER 715 N -2.55 0.11 -0.01 -0.69 3.41 -1.00 -4.71 113.62 108.19 1yae n SER 715 Ca 0.05 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 1yae n SER 715 Cb 0.47 1.82 -0.02 0.00 -0.26 0.00 0.00 64.21 66.22 1yae n SER 715 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1yae n VAL 716 N -2.27 0.06 -3.14 -3.33 0.31 -0.71 -4.96 118.33 104.30 1yae n VAL 716 Ca -0.03 -0.07 -0.39 0.00 -0.01 0.00 0.00 64.34 63.83 1yae n VAL 716 Cb 0.56 -0.10 -0.05 0.00 -0.91 0.00 0.00 33.84 33.34 1yae n VAL 716 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1yae s LEU 717 N -3.56 4.35 0.42 7.52 1.02 -1.00 -4.01 118.68 123.42 1yae s LEU 717 Ca -0.01 1.13 0.08 0.00 0.02 0.00 0.00 54.13 55.35 1yae s LEU 717 Cb 0.01 -2.98 -0.00 0.00 0.02 0.00 0.00 46.19 43.24 1yae s LEU 717 CO 0.10 -0.02 0.49 0.68 0.02 0.00 0.00 176.35 177.62 1yae s VAL 718 N 0.41 2.83 -0.87 -1.59 -7.23 -0.54 -4.86 120.40 108.55 1yae s VAL 718 Ca 0.34 -1.14 0.18 0.00 -1.81 0.00 0.00 61.98 59.54 1yae s VAL 718 Cb -0.18 -2.98 -0.19 0.00 0.56 0.00 0.00 36.38 33.60 1yae s VAL 718 CO 0.17 0.00 0.76 2.29 -0.31 0.00 0.00 175.10 178.01 1yae n LYS 719 N -1.73 1.13 -3.71 4.82 2.85 -1.26 -1.02 118.16 119.24 1yae n LYS 719 Ca 0.06 -0.03 -0.09 0.00 -1.05 0.00 0.00 58.31 57.20 1yae n LYS 719 Cb 0.60 -1.34 -0.02 0.00 -0.65 0.00 0.00 35.03 33.62 1yae n LYS 719 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1yae s SER 720 N -2.66 -0.36 0.15 -5.58 1.04 -1.26 -4.82 113.70 100.20 1yae s SER 720 Ca 0.07 -0.40 -0.21 0.00 0.48 0.00 0.00 55.95 55.89 1yae s SER 720 Cb 0.14 0.67 0.02 0.00 0.10 0.00 0.00 66.02 66.95 1yae s SER 720 CO 0.72 -1.19 1.66 0.78 0.98 0.00 0.00 173.24 176.19 1yae h ASN 721 N 2.02 -0.52 -0.92 7.02 2.35 -1.99 -1.83 115.58 121.70 1yae h ASN 721 Ca -0.25 0.11 0.04 0.00 -0.55 0.00 0.00 56.30 55.65 1yae h ASN 721 Cb 1.27 0.27 -0.06 0.00 0.05 0.00 0.00 38.32 39.85 1yae h ASN 721 CO 0.29 -0.20 0.60 -0.33 -1.65 0.00 0.00 177.43 176.14 1yae h GLU 722 N -0.15 1.12 -0.77 0.81 3.07 -1.99 0.26 114.58 116.93 1yae h GLU 722 Ca 0.13 -0.07 0.01 0.00 -0.50 0.00 0.00 59.36 58.93 1yae h GLU 722 Cb 0.35 -0.25 -0.04 0.00 -0.84 0.00 0.00 28.75 27.97 1yae h GLU 722 CO -0.33 0.74 0.51 0.93 -1.40 0.00 0.00 179.01 179.47 1yae h GLU 723 N 1.15 1.01 -0.02 2.33 5.08 -1.89 -1.40 114.58 120.84 1yae h GLU 723 Ca 0.37 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1yae h GLU 723 Cb 0.02 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.04 1yae h GLU 723 CO -0.13 0.67 0.01 0.78 -1.00 0.00 0.00 179.01 179.34 1yae h GLY 724 N 1.04 0.04 0.27 -3.84 0.00 -0.36 -1.63 103.07 98.59 1yae h GLY 724 Ca 0.28 -0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.63 1yae h GLY 724 CO -0.06 0.02 -0.32 -2.22 0.00 0.00 0.00 176.54 173.96 1yae h ILE 725 N -0.19 0.31 -0.94 2.60 1.08 -0.86 -1.03 117.51 118.49 1yae h ILE 725 Ca 0.01 0.00 0.09 0.00 -0.39 0.00 0.00 64.86 64.57 1yae h ILE 725 Cb 0.23 0.31 -0.07 0.00 -3.07 0.00 0.00 36.82 34.22 1yae h ILE 725 CO 0.00 0.00 0.60 -0.61 -0.69 0.00 0.00 178.15 177.45 1yae h GLN 726 N -0.45 0.96 0.00 2.37 5.75 -1.29 -1.15 115.11 121.31 1yae h GLN 726 Ca 0.07 -0.06 -0.02 0.00 -0.15 0.00 0.00 58.65 58.49 1yae h GLN 726 Cb 0.55 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 28.88 1yae h GLN 726 CO -0.29 0.64 -0.08 -0.09 -2.65 0.00 0.00 178.83 176.36 1yae h ARG 727 N 0.99 0.00 0.02 1.69 9.65 -0.48 -0.13 114.38 126.13 1yae h ARG 727 Ca 0.43 0.00 -0.07 0.00 -1.10 0.00 0.00 59.98 59.24 1yae h ARG 727 Cb 0.33 0.00 0.01 0.00 -1.39 0.00 0.00 29.97 28.92 1yae h ARG 727 CO -0.18 0.08 -0.27 0.28 2.80 0.00 0.00 179.97 182.68 1yae h VAL 728 N 0.00 1.61 -0.00 0.20 2.07 -0.02 -2.59 116.25 117.52 1yae h VAL 728 Ca -0.00 -2.15 -0.07 0.00 0.82 0.00 0.00 66.70 65.30 1yae h VAL 728 Cb 0.66 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 33.43 1yae h VAL 728 CO 0.01 0.58 -0.32 -0.07 0.02 0.00 0.00 177.57 177.79 1yae h LEU 729 N -0.62 0.00 0.08 2.57 3.38 -1.18 -3.32 115.31 116.22 1yae h LEU 729 Ca -0.04 -0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.60 1yae h LEU 729 Cb 1.11 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1yae h LEU 729 CO 0.05 0.32 -1.81 0.41 0.09 0.00 0.00 178.44 177.50 1yae n THR 730 N -4.16 1.68 -2.77 0.22 -1.04 -0.08 -5.00 114.28 103.14 1yae n THR 730 Ca -0.02 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.55 1yae n THR 730 Cb 0.36 -1.82 0.00 0.00 -1.82 0.00 0.00 70.33 67.05 1yae n THR 730 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1yae n SER 731 N -3.80 1.04 -4.14 8.00 3.41 -0.97 -5.07 113.62 112.09 1yae n SER 731 Ca -0.34 -0.25 -0.38 0.00 -0.26 0.00 0.00 58.87 57.64 1yae n SER 731 Cb 0.92 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.81 1yae n SER 731 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1yae s ASP 732 N -0.22 5.94 -0.03 4.04 2.15 -1.26 -4.77 116.67 122.52 1yae s ASP 732 Ca 0.00 -3.37 -0.01 0.00 0.43 0.00 0.00 52.55 49.59 1yae s ASP 732 Cb 0.00 -1.94 0.03 0.00 -0.30 0.00 0.00 42.92 40.70 1yae s ASP 732 CO 0.00 -0.28 0.07 -0.47 -0.17 0.00 0.00 175.17 174.32 1yae s TYR 733 N -0.84 -0.05 -0.25 -5.34 6.14 -1.26 -2.77 117.35 112.99 1yae s TYR 733 Ca 0.24 0.22 -0.11 0.00 0.64 0.00 0.00 57.07 58.07 1yae s TYR 733 Cb -0.11 -0.12 -0.05 0.00 0.42 0.00 0.00 41.96 42.09 1yae s TYR 733 CO -0.09 -0.09 0.16 0.00 0.64 0.00 0.00 175.55 176.17 1yae s ALA 734 N 0.80 3.59 -0.26 3.97 0.00 0.01 -4.57 121.76 125.31 1yae s ALA 734 Ca -0.06 -0.93 -0.11 0.00 0.00 0.00 0.00 51.96 50.86 1yae s ALA 734 Cb -0.09 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.64 1yae s ALA 734 CO -0.03 -0.25 0.17 0.12 0.00 0.00 0.00 175.76 175.77 1yae s PHE 735 N 1.18 3.27 -0.70 0.00 5.36 -0.42 -2.41 117.98 124.26 1yae s PHE 735 Ca 0.07 0.17 -0.25 0.00 -0.96 0.00 0.00 56.93 55.96 1yae s PHE 735 Cb -0.14 -2.32 0.04 0.00 -0.34 0.00 0.00 43.02 40.26 1yae s PHE 735 CO 0.06 -0.05 1.15 -0.51 -1.46 0.00 0.00 175.22 174.41 1yae s LEU 736 N 1.40 3.63 0.12 6.12 1.43 0.62 -0.93 118.68 131.07 1yae s LEU 736 Ca 0.07 -0.60 0.05 0.00 -1.03 0.00 0.00 54.13 52.62 1yae s LEU 736 Cb -0.15 -2.55 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1yae s LEU 736 CO 0.08 -1.66 -0.13 -0.32 0.23 0.00 0.00 176.35 174.54 1yae s MET 737 N 5.06 0.99 -0.01 1.70 1.75 -0.58 -4.48 119.30 123.72 1yae s MET 737 Ca 0.31 -1.22 -0.30 0.00 -1.25 0.00 0.00 55.69 53.22 1yae s MET 737 Cb -0.11 -0.82 -0.05 0.00 2.84 0.00 0.00 34.83 36.68 1yae s MET 737 CO 0.14 0.15 1.39 -1.21 -0.65 0.00 0.00 175.02 174.84 1yae s GLU 738 N -2.71 4.28 0.30 4.11 2.02 -1.26 -0.66 118.70 124.79 1yae s GLU 738 Ca 0.08 1.94 0.03 0.00 0.02 0.00 0.00 54.97 57.04 1yae s GLU 738 Cb -0.04 -3.58 0.77 0.00 0.10 0.00 0.00 34.13 31.38 1yae s GLU 738 CO 0.02 -0.57 1.61 0.66 0.02 0.00 0.00 175.26 177.00 1yae h SER 739 N 7.84 -0.17 -0.68 -0.19 4.64 -0.94 0.23 113.55 124.29 1yae h SER 739 Ca -0.37 0.23 0.11 0.00 -0.47 0.00 0.00 61.79 61.29 1yae h SER 739 Cb 1.18 0.35 -0.08 0.00 -0.31 0.00 0.00 62.40 63.54 1yae h SER 739 CO 0.90 -0.26 0.29 0.00 -0.87 0.00 0.00 176.83 176.89 1yae h THR 740 N 0.11 0.77 0.00 2.95 1.03 -1.91 0.29 112.91 116.14 1yae h THR 740 Ca 0.59 -0.17 -0.18 0.00 -0.01 0.00 0.00 66.41 66.64 1yae h THR 740 Cb 1.25 0.24 -0.03 0.00 -1.07 0.00 0.00 68.15 68.54 1yae h THR 740 CO -0.77 0.09 -0.87 0.74 -0.01 0.00 0.00 175.52 174.70 1yae h THR 741 N 0.48 1.56 0.17 0.00 2.02 -0.96 -3.16 112.91 113.03 1yae h THR 741 Ca 0.35 -3.06 -0.01 0.00 0.77 0.00 0.00 66.41 64.46 1yae h THR 741 Cb 0.44 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 1yae h THR 741 CO -0.32 0.86 -0.08 0.40 0.37 0.00 0.00 175.52 176.74 1yae h ILE 742 N 0.00 0.84 -0.93 3.11 2.04 -0.48 -2.52 117.51 119.57 1yae h ILE 742 Ca -0.01 -0.05 0.26 0.00 1.00 0.00 0.00 64.86 66.07 1yae h ILE 742 Cb 1.61 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 1yae h ILE 742 CO 0.11 0.01 0.66 -0.08 0.00 0.00 0.00 178.15 178.85 1yae h GLU 743 N -0.26 0.07 0.13 2.37 4.81 -1.01 0.13 114.58 120.82 1yae h GLU 743 Ca -0.02 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1yae h GLU 743 Cb 0.20 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1yae h GLU 743 CO 0.04 0.05 -0.06 0.35 -0.73 0.00 0.00 179.01 178.65 1yae h PHE 744 N 0.07 -0.16 0.00 0.92 3.57 -1.43 -3.28 116.94 116.63 1yae h PHE 744 Ca 0.45 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.87 1yae h PHE 744 Cb 1.69 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.47 1yae h PHE 744 CO -0.00 0.31 -0.36 -0.39 -2.23 0.00 0.00 178.31 175.64 1yae h VAL 745 N -0.85 1.03 -0.80 1.41 -1.51 -0.99 -3.12 116.25 111.42 1yae h VAL 745 Ca -0.02 -1.36 -0.01 0.00 -1.23 0.00 0.00 66.70 64.09 1yae h VAL 745 Cb 0.55 1.78 -0.04 0.00 -2.13 0.00 0.00 31.29 31.45 1yae h VAL 745 CO 0.03 0.36 0.47 0.00 -1.23 0.00 0.00 177.57 177.20 1yae h THR 746 N 0.00 1.23 -0.57 7.19 1.03 -0.90 0.11 112.91 121.00 1yae h THR 746 Ca -0.00 -0.51 -0.13 0.00 -0.01 0.00 0.00 66.41 65.75 1yae h THR 746 Cb 0.75 0.12 -0.08 0.00 -1.07 0.00 0.00 68.15 67.87 1yae h THR 746 CO 0.05 0.24 0.17 0.00 -0.01 0.00 0.00 175.52 175.97 1yae n GLN 747 N -4.46 3.45 0.00 0.00 10.64 -1.18 -3.88 117.38 121.95 1yae n GLN 747 Ca 0.08 -2.48 0.00 0.00 -1.83 0.00 0.00 57.00 52.77 1yae n GLN 747 Cb 0.06 -2.06 0.00 0.00 -0.86 0.00 0.00 30.24 27.38 1yae n GLN 747 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 1yae n ARG 748 N 0.08 2.43 -4.18 2.61 0.63 -0.80 -3.18 116.66 114.25 1yae n ARG 748 Ca 0.30 0.00 -0.25 0.00 -0.92 0.00 0.00 57.85 56.98 1yae n ARG 748 Cb 1.15 -0.79 -0.17 0.00 0.45 0.00 0.00 32.46 33.10 1yae n ARG 748 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1yae s ASN 749 N -1.60 1.87 0.00 6.15 2.47 0.31 -5.02 114.94 119.11 1yae s ASN 749 Ca 0.00 -0.27 0.28 0.00 0.42 0.00 0.00 52.86 53.29 1yae s ASN 749 Cb 0.00 -0.77 1.12 0.00 -1.45 0.00 0.00 41.25 40.14 1yae s ASN 749 CO 0.00 -0.06 1.78 0.00 -3.72 0.00 0.00 177.10 175.11 1yae n ASN 751 N -0.36 1.11 -4.64 0.00 3.02 -1.26 -4.92 115.26 108.20 1yae n ASN 751 Ca 0.17 -0.90 -0.35 0.00 -0.03 0.00 0.00 54.58 53.47 1yae n ASN 751 Cb 0.31 0.52 -0.10 0.00 -0.61 0.00 0.00 39.78 39.90 1yae n ASN 751 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1yae s LEU 752 N -2.78 3.52 0.09 3.41 1.02 -1.21 0.15 118.68 122.87 1yae s LEU 752 Ca 0.14 0.09 0.01 0.00 0.02 0.00 0.00 54.13 54.39 1yae s LEU 752 Cb 0.18 -1.81 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 1yae s LEU 752 CO 0.69 0.33 -0.04 0.28 0.02 0.00 0.00 176.35 177.63 1yae s THR 753 N -0.60 0.47 -0.00 5.49 -1.32 -0.45 -4.76 115.64 114.47 1yae s THR 753 Ca 0.10 -1.89 -0.18 0.00 -1.21 0.00 0.00 61.69 58.51 1yae s THR 753 Cb -0.12 -1.69 -0.06 0.00 -1.51 0.00 0.00 72.50 69.13 1yae s THR 753 CO 0.02 -0.86 0.50 -1.58 -2.21 0.00 0.00 174.62 170.49 1yae s GLN 754 N -3.89 4.15 -0.19 7.08 0.74 -1.26 -1.30 119.66 124.99 1yae s GLN 754 Ca 0.12 0.57 -0.02 0.00 0.05 0.00 0.00 55.36 56.08 1yae s GLN 754 Cb 0.07 -3.29 -0.01 0.00 1.10 0.00 0.00 33.01 30.88 1yae s GLN 754 CO -0.06 0.52 -0.09 0.42 -0.55 0.00 0.00 175.29 175.54 1yae s ILE 755 N -0.62 3.13 0.02 -2.34 1.01 -0.42 -4.96 121.20 117.01 1yae s ILE 755 Ca 0.27 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.33 1yae s ILE 755 Cb -0.17 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 39.91 1yae s ILE 755 CO 0.15 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.17 1yae n GLY 756 N 4.42 -2.05 0.00 6.18 0.00 -1.25 -3.72 105.19 108.77 1yae n GLY 756 Ca -0.19 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1yae n GLY 756 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yae n GLY 757 N -0.65 1.69 3.58 -0.02 0.00 -1.26 -4.87 105.19 103.65 1yae n GLY 757 Ca 0.00 -1.68 -0.39 0.00 0.00 0.00 0.00 46.02 43.94 1yae n GLY 757 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yae s LEU 758 N 0.00 4.19 0.25 0.99 2.01 -1.26 -4.59 118.68 120.26 1yae s LEU 758 Ca 0.00 0.01 -0.02 0.00 0.01 0.00 0.00 54.13 54.13 1yae s LEU 758 Cb 0.00 -2.30 0.30 0.00 0.01 0.00 0.00 46.19 44.20 1yae s LEU 758 CO 0.00 -0.20 1.71 0.40 1.01 0.00 0.00 176.35 179.28 1yae h ILE 759 N 5.44 1.25 -0.83 -0.59 2.04 -0.53 -3.47 117.51 120.82 1yae h ILE 759 Ca -0.32 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.40 1yae h ILE 759 Cb 1.16 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1yae h ILE 759 CO 0.63 0.39 0.00 -0.90 0.00 0.00 0.00 178.15 178.27 1yae n ASP 760 N -4.17 0.00 -3.68 1.72 5.75 -1.26 -4.93 116.55 109.98 1yae n ASP 760 Ca 0.01 0.00 -0.15 0.00 -0.01 0.00 0.00 54.79 54.64 1yae n ASP 760 Cb 0.36 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 40.30 1yae n ASP 760 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 1yae s SER 761 N 1.07 0.45 0.29 -1.12 1.04 -1.26 -4.30 113.70 109.87 1yae s SER 761 Ca 0.00 0.42 0.03 0.00 0.48 0.00 0.00 55.95 56.87 1yae s SER 761 Cb 0.00 0.39 0.03 0.00 0.10 0.00 0.00 66.02 66.53 1yae s SER 761 CO 0.00 -0.22 0.21 0.29 0.98 0.00 0.00 173.24 174.50 1yae n LYS 762 N 5.09 1.07 -3.78 4.02 4.01 0.61 -4.94 118.16 124.25 1yae n LYS 762 Ca -0.10 -1.79 -0.12 0.00 -0.51 0.00 0.00 58.31 55.80 1yae n LYS 762 Cb 0.50 0.19 -0.08 0.00 -0.51 0.00 0.00 35.03 35.13 1yae n LYS 762 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1yae s GLY 763 N -2.93 -0.10 -0.24 0.72 0.00 -1.26 -2.20 107.32 101.31 1yae s GLY 763 Ca 0.16 0.05 -0.12 0.00 0.00 0.00 0.00 44.72 44.82 1yae s GLY 763 CO 0.10 -0.15 0.21 -0.19 0.00 0.00 0.00 173.10 173.07 1yae s TYR 764 N -2.13 3.31 0.03 1.90 2.02 -0.08 -1.33 117.35 121.07 1yae s TYR 764 Ca -0.08 0.29 0.07 0.00 -0.37 0.00 0.00 57.07 56.98 1yae s TYR 764 Cb -0.02 -2.33 -0.03 0.00 -0.40 0.00 0.00 41.96 39.17 1yae s TYR 764 CO -0.01 0.02 -0.18 0.20 -1.57 0.00 0.00 175.55 174.01 1yae s GLY 765 N 1.14 1.55 0.03 0.71 0.00 -1.17 -0.91 107.32 108.68 1yae s GLY 765 Ca 0.10 -1.18 -0.33 0.00 0.00 0.00 0.00 44.72 43.31 1yae s GLY 765 CO 0.06 -1.06 1.83 -0.62 0.00 0.00 0.00 173.10 173.30 1yae n VAL 766 N 1.63 0.45 -3.24 1.40 0.31 -1.26 -4.74 118.33 112.88 1yae n VAL 766 Ca -0.16 -0.08 -0.34 0.00 -0.01 0.00 0.00 64.34 63.75 1yae n VAL 766 Cb 0.52 -1.95 -0.06 0.00 -0.91 0.00 0.00 33.84 31.44 1yae n VAL 766 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1yae s GLY 767 N 3.20 2.41 -0.23 2.92 0.00 -0.35 -0.26 107.32 115.01 1yae s GLY 767 Ca 0.87 -0.04 -0.18 0.00 0.00 0.00 0.00 44.72 45.36 1yae s GLY 767 CO 0.44 0.20 0.60 -1.08 0.00 0.00 0.00 173.10 173.26 1yae s THR 768 N -1.73 -0.00 0.75 0.90 -1.32 -0.15 -0.52 115.64 113.56 1yae s THR 768 Ca 0.47 0.01 -0.16 0.00 -1.21 0.00 0.00 61.69 60.80 1yae s THR 768 Cb -0.13 -0.85 -0.01 0.00 -1.51 0.00 0.00 72.50 70.00 1yae s THR 768 CO 0.19 0.01 0.65 -2.65 -2.21 0.00 0.00 174.62 170.61 1yae n PRO 769 N 3.37 0.27 -1.63 7.08 -0.02 -1.26 -0.30 135.00 142.51 1yae n PRO 769 Ca -0.17 0.14 -0.52 0.00 -2.02 0.00 0.00 63.50 60.93 1yae n PRO 769 Cb 0.57 -1.95 -0.06 0.00 -0.02 0.00 0.00 33.50 32.03 1yae n PRO 769 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1yae n MET 770 N -1.24 1.50 -1.00 -0.52 0.00 -1.26 -1.45 117.12 113.15 1yae n MET 770 Ca 0.10 0.52 0.00 0.00 -0.00 0.00 0.00 57.70 58.32 1yae n MET 770 Cb 0.50 -2.40 0.00 0.00 0.00 0.00 0.00 33.22 31.32 1yae n MET 770 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1yae n GLY 771 N 4.93 0.44 3.59 -5.12 0.00 -1.26 -4.94 105.19 102.83 1yae n GLY 771 Ca 0.29 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.84 1yae n GLY 771 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yae n SER 772 N -0.12 1.50 -0.14 1.61 2.88 -0.53 -4.89 113.62 113.93 1yae n SER 772 Ca 0.00 1.15 -0.09 0.00 -1.33 0.00 0.00 58.87 58.60 1yae n SER 772 Cb 0.06 -1.26 -0.00 0.00 -0.75 0.00 0.00 64.21 62.26 1yae n SER 772 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1yae h PRO 773 N 3.14 0.61 -0.88 -1.46 0.13 -1.94 -3.28 132.00 128.32 1yae h PRO 773 Ca -0.42 -0.09 0.14 0.00 -0.87 0.00 0.00 66.00 64.75 1yae h PRO 773 Cb 1.33 -0.11 -0.07 0.00 0.13 0.00 0.00 31.00 32.29 1yae h PRO 773 CO 0.68 0.54 0.57 1.88 -0.23 0.00 0.00 178.00 181.44 1yae h TYR 774 N 0.54 0.81 -0.11 1.56 0.05 -1.99 -3.33 116.97 114.50 1yae h TYR 774 Ca 0.14 0.02 0.01 0.00 0.05 0.00 0.00 58.73 58.96 1yae h TYR 774 Cb 0.13 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 37.60 1yae h TYR 774 CO -0.01 0.31 -0.07 -2.13 -1.05 0.00 0.00 178.16 175.21 1yae n ARG 775 N -4.56 -0.05 -0.18 4.88 0.63 -1.24 -1.40 116.66 114.74 1yae n ARG 775 Ca 0.17 0.90 0.29 0.00 -0.92 0.00 0.00 57.85 58.29 1yae n ARG 775 Cb 0.46 -1.35 0.73 0.00 0.45 0.00 0.00 32.46 32.74 1yae n ARG 775 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 1yae h ASP 776 N 0.00 0.00 -0.03 6.15 5.19 -1.84 0.54 116.42 126.43 1yae h ASP 776 Ca 0.02 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.34 1yae h ASP 776 Cb 0.05 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.56 1yae h ASP 776 CO -0.11 0.00 -0.33 0.11 -3.12 0.00 0.00 179.24 175.79 1yae h LYS 777 N 0.00 0.28 -0.89 3.56 1.57 -1.47 -2.98 116.57 116.64 1yae h LYS 777 Ca 0.43 -0.26 0.07 0.00 -1.87 0.00 0.00 60.65 59.03 1yae h LYS 777 Cb 1.77 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 34.07 1yae h LYS 777 CO -0.00 0.94 0.55 0.82 -0.57 0.00 0.00 179.45 181.18 1yae h ILE 778 N -0.28 1.01 0.03 1.86 2.04 0.69 0.13 117.51 123.00 1yae h ILE 778 Ca -0.03 -0.34 0.03 0.00 1.00 0.00 0.00 64.86 65.52 1yae h ILE 778 Cb 1.03 -0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1yae h ILE 778 CO 0.07 0.18 -0.23 0.74 0.00 0.00 0.00 178.15 178.91 1yae h THR 779 N 0.98 0.48 -0.51 -0.27 2.02 -1.27 0.73 112.91 115.07 1yae h THR 779 Ca 0.40 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.58 1yae h THR 779 Cb 0.24 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.10 1yae h THR 779 CO -0.20 0.00 0.31 0.40 0.37 0.00 0.00 175.52 176.41 1yae h ILE 780 N -0.38 1.15 -0.26 3.11 2.04 -1.19 -1.34 117.51 120.65 1yae h ILE 780 Ca 0.05 -0.33 0.03 0.00 1.00 0.00 0.00 64.86 65.60 1yae h ILE 780 Cb 0.44 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1yae h ILE 780 CO -0.18 0.15 0.17 0.00 0.00 0.00 0.00 178.15 178.29 1yae h ALA 781 N 1.15 1.94 0.29 1.87 0.00 -0.60 -1.77 119.26 122.14 1yae h ALA 781 Ca 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1yae h ALA 781 Cb -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1yae h ALA 781 CO -0.04 0.03 -0.14 0.82 0.00 0.00 0.00 179.25 179.92 1yae h ILE 782 N 0.24 0.00 -1.35 0.00 2.04 0.22 -3.04 117.51 115.62 1yae h ILE 782 Ca 0.11 -0.16 0.39 0.00 1.00 0.00 0.00 64.86 66.19 1yae h ILE 782 Cb 0.12 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.13 1yae h ILE 782 CO -0.02 0.00 0.94 -0.07 0.00 0.00 0.00 178.15 179.00 1yae h LEU 783 N -0.56 0.10 -0.65 1.44 3.38 -1.22 0.48 115.31 118.29 1yae h LEU 783 Ca -0.04 0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 1yae h LEU 783 Cb 0.30 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1yae h LEU 783 CO 0.07 -0.01 -0.14 -0.61 0.09 0.00 0.00 178.44 177.83 1yae h GLN 784 N 0.07 0.91 -0.13 1.13 4.15 -1.33 0.59 115.11 120.51 1yae h GLN 784 Ca 0.68 -0.34 -0.07 0.00 0.77 0.00 0.00 58.65 59.69 1yae h GLN 784 Cb 2.51 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 30.14 1yae h GLN 784 CO -0.11 0.99 -0.20 -0.07 -1.93 0.00 0.00 178.83 177.51 1yae h LEU 785 N 0.81 0.39 -0.81 -2.39 3.38 0.02 -3.07 115.31 113.64 1yae h LEU 785 Ca 0.12 -0.53 0.09 0.00 0.09 0.00 0.00 57.88 57.65 1yae h LEU 785 Cb 0.68 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 1yae h LEU 785 CO 0.05 0.85 0.46 -0.61 0.09 0.00 0.00 178.44 179.28 1yae h GLN 786 N -0.05 0.76 0.05 1.13 5.75 -1.05 -0.91 115.11 120.79 1yae h GLN 786 Ca 0.01 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 1yae h GLN 786 Cb 0.77 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 29.13 1yae h GLN 786 CO 0.05 0.50 -0.21 1.49 -2.65 0.00 0.00 178.83 178.01 1yae h GLU 787 N 0.78 -0.29 0.00 1.69 4.81 0.22 -2.68 114.58 119.11 1yae h GLU 787 Ca 0.39 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.64 1yae h GLU 787 Cb 0.34 0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.78 1yae h GLU 787 CO -0.24 -0.19 0.00 1.05 -0.73 0.00 0.00 179.01 178.90 1yae h GLU 788 N -0.30 0.00 0.00 1.92 4.11 -1.43 -3.46 114.58 115.42 1yae h GLU 788 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1yae h GLU 788 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1yae h GLU 788 CO -0.11 0.00 0.00 0.41 0.07 0.00 0.00 179.01 179.38 1yae n GLY 789 N -0.04 1.38 0.20 1.06 0.00 -0.70 -4.99 105.19 102.10 1yae n GLY 789 Ca 0.02 -0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.58 1yae n GLY 789 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1yae h LYS 790 N 0.00 0.70 -0.02 1.61 1.79 -1.44 -3.02 116.57 116.19 1yae h LYS 790 Ca 0.00 -0.59 0.00 0.00 -2.18 0.00 0.00 60.65 57.88 1yae h LYS 790 Cb 0.27 0.13 -0.00 0.00 -1.58 0.00 0.00 32.23 31.04 1yae h LYS 790 CO 0.00 1.20 0.01 -0.07 -1.08 0.00 0.00 179.45 179.51 1yae h LEU 791 N 0.39 0.02 -1.12 2.94 3.38 -1.86 0.19 115.31 119.25 1yae h LEU 791 Ca -0.05 -0.02 0.24 0.00 0.09 0.00 0.00 57.88 58.14 1yae h LEU 791 Cb 1.35 -0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.98 1yae h LEU 791 CO 0.15 0.04 0.62 -0.74 0.09 0.00 0.00 178.44 178.60 1yae h HIS 792 N 0.01 0.91 0.03 1.13 2.76 -1.89 0.14 115.15 118.23 1yae h HIS 792 Ca 0.01 0.03 -0.24 0.00 -2.20 0.00 0.00 60.37 57.97 1yae h HIS 792 Cb 0.02 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.72 1yae h HIS 792 CO -0.07 0.09 -1.00 0.52 -1.30 0.00 0.00 177.93 176.16 1yae h MET 793 N 0.55 0.40 -0.22 5.26 2.86 -1.04 0.12 114.93 122.86 1yae h MET 793 Ca 0.62 -0.46 -0.05 0.00 -2.06 0.00 0.00 59.70 57.75 1yae h MET 793 Cb 1.27 0.14 -0.01 0.00 0.06 0.00 0.00 31.60 33.07 1yae h MET 793 CO -0.41 1.14 -0.04 0.52 1.06 0.00 0.00 176.91 179.18 1yae h MET 794 N 0.21 0.42 0.14 1.72 2.07 0.12 0.13 114.93 119.73 1yae h MET 794 Ca -0.09 -0.15 0.02 0.00 -2.07 0.00 0.00 59.70 57.40 1yae h MET 794 Cb 1.65 -0.03 -0.04 0.00 -1.87 0.00 0.00 31.60 31.32 1yae h MET 794 CO 0.17 0.65 -0.36 -0.22 1.07 0.00 0.00 176.91 178.22 1yae h LYS 795 N 0.15 -0.58 -0.61 1.72 1.63 -0.74 -2.15 116.57 115.98 1yae h LYS 795 Ca 0.06 0.04 0.11 0.00 -0.85 0.00 0.00 60.65 60.01 1yae h LYS 795 Cb 0.49 0.13 -0.08 0.00 -0.60 0.00 0.00 32.23 32.16 1yae h LYS 795 CO 0.02 -0.39 0.15 1.49 -3.45 0.00 0.00 179.45 177.28 1yae h GLU 796 N -0.60 0.28 0.20 1.90 4.57 -0.56 -2.67 114.58 117.70 1yae h GLU 796 Ca 0.02 -0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.19 1yae h GLU 796 Cb 0.63 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.11 1yae h GLU 796 CO -0.20 0.19 -0.49 -0.22 -1.18 0.00 0.00 179.01 177.10 1yae h LYS 797 N 0.29 -0.74 0.00 1.92 3.64 -0.12 -2.34 116.57 119.22 1yae h LYS 797 Ca 0.32 0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.67 1yae h LYS 797 Cb 0.47 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.45 1yae h LYS 797 CO -0.39 -0.49 -0.40 -1.49 -2.27 0.00 0.00 179.45 174.41 1yae h TRP 798 N -0.77 0.00 0.10 1.91 4.06 -1.34 -3.37 115.95 116.54 1yae h TRP 798 Ca -0.02 0.00 -0.34 0.00 2.06 0.00 0.00 58.89 60.59 1yae h TRP 798 Cb 0.74 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.88 1yae h TRP 798 CO -0.40 0.40 -1.88 0.91 -3.56 0.00 0.00 178.44 173.91 1yae n TRP 799 N -3.26 1.19 -1.79 0.49 8.01 -1.02 -4.91 117.44 116.15 1yae n TRP 799 Ca 0.02 0.29 -0.34 0.00 -1.31 0.00 0.00 57.50 56.16 1yae n TRP 799 Cb 0.65 -1.15 0.05 0.00 -2.01 0.00 0.00 31.31 28.85 1yae n TRP 799 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.69 177.18 1yae s ARG 800 N -2.52 2.75 0.00 -0.99 6.06 -0.89 -4.91 118.95 118.45 1yae s ARG 800 Ca -0.24 1.56 0.00 0.00 -2.50 0.00 0.00 55.73 54.55 1yae s ARG 800 Cb 0.07 -1.93 0.00 0.00 0.06 0.00 0.00 34.95 33.15 1yae s ARG 800 CO 0.73 -1.32 0.00 0.41 -2.50 0.00 0.00 175.30 172.62 1yae n GLY 801 N -0.09 -0.74 0.00 8.12 0.00 -1.26 -4.94 105.19 106.28 1yae n GLY 801 Ca 0.12 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1yae n GLY 801 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1yae n ASN 802 N 0.00 0.00 0.00 1.61 5.03 -1.26 -5.03 115.26 115.61 1yae n ASN 802 Ca 0.00 0.07 0.00 0.00 0.87 0.00 0.00 54.58 55.52 1yae n ASN 802 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1yae n ASN 802 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1yae n GLY 803 N -0.16 0.64 0.00 7.41 0.00 -1.19 -5.11 105.19 106.78 1yae n GLY 803 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1yae n GLY 803 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32