#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a4x h PRO 408 N 0.00 -0.30 0.00 1.61 0.11 -2.03 -3.29 132.00 128.10 3a4x h PRO 408 Ca 0.00 0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.09 3a4x h PRO 408 Cb 0.00 0.07 -0.09 0.00 0.11 0.00 0.00 31.00 31.09 3a4x h PRO 408 CO 0.00 -0.20 -0.48 0.09 -0.21 0.00 0.00 178.00 177.20 3a4x n ASN 409 N -5.40 1.29 -3.67 -2.05 3.02 -1.26 -4.99 115.26 102.21 3a4x n ASN 409 Ca -0.01 -2.77 -0.14 0.00 -0.03 0.00 0.00 54.58 51.63 3a4x n ASN 409 Cb 0.32 -0.37 -0.08 0.00 -0.61 0.00 0.00 39.78 39.04 3a4x n ASN 409 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a4x s ALA 410 N -1.59 -1.40 0.23 5.41 0.00 -1.24 -4.92 121.76 118.26 3a4x s ALA 410 Ca 0.26 1.50 0.10 0.00 0.00 0.00 0.00 51.96 53.81 3a4x s ALA 410 Cb 0.26 -0.79 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 3a4x s ALA 410 CO -0.05 -0.28 -0.07 -0.80 0.00 0.00 0.00 175.76 174.56 3a4x s ASN 411 N 0.07 4.27 0.36 0.00 0.01 -1.26 -1.50 114.94 116.89 3a4x s ASN 411 Ca -0.02 -0.67 -0.27 0.00 -0.71 0.00 0.00 52.86 51.19 3a4x s ASN 411 Cb -0.04 -0.71 -0.09 0.00 0.41 0.00 0.00 41.25 40.82 3a4x s ASN 411 CO 0.02 0.05 1.22 -2.16 -1.51 0.00 0.00 177.10 174.72 3a4x s PRO 412 N -3.29 4.22 -0.15 -0.60 0.04 -1.26 -4.88 135.00 129.08 3a4x s PRO 412 Ca 0.28 2.00 -0.07 0.00 0.04 0.00 0.00 61.00 63.25 3a4x s PRO 412 Cb -0.07 -2.89 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 3a4x s PRO 412 CO 0.17 -0.22 0.11 0.42 0.04 0.00 0.00 177.00 177.51 3a4x s ILE 413 N -1.26 5.21 0.83 0.56 1.01 -1.26 -4.90 121.20 121.39 3a4x s ILE 413 Ca 0.53 0.11 -0.11 0.00 0.00 0.00 0.00 60.65 61.17 3a4x s ILE 413 Cb -0.35 -3.30 0.10 0.00 0.01 0.00 0.00 42.46 38.92 3a4x s ILE 413 CO 0.45 0.54 1.15 -2.16 0.00 0.00 0.00 174.94 174.92 3a4x s PRO 414 N -0.39 1.59 0.32 2.79 0.04 -1.26 -4.90 135.00 133.19 3a4x s PRO 414 Ca 0.11 1.52 0.04 0.00 0.04 0.00 0.00 61.00 62.71 3a4x s PRO 414 Cb -0.12 -1.79 0.65 0.00 0.04 0.00 0.00 34.50 33.28 3a4x s PRO 414 CO 0.01 -2.20 1.87 1.49 0.04 0.00 0.00 177.00 178.22 3a4x h GLU 415 N -1.29 0.86 -4.86 4.56 4.57 -1.93 -3.33 114.58 113.17 3a4x h GLU 415 Ca -0.44 -0.05 -0.67 0.00 -1.18 0.00 0.00 59.36 57.01 3a4x h GLU 415 Cb 1.27 -0.19 -0.36 0.00 -0.16 0.00 0.00 28.75 29.30 3a4x h GLU 415 CO 0.46 0.57 -0.79 -1.01 -1.18 0.00 0.00 179.01 177.06 3a4x s HIS 416 N -5.83 3.27 0.19 0.92 3.76 -1.26 -4.77 115.29 111.58 3a4x s HIS 416 Ca -0.11 -2.27 0.09 0.00 -0.15 0.00 0.00 55.06 52.62 3a4x s HIS 416 Cb 0.21 -1.95 -0.04 0.00 1.11 0.00 0.00 32.58 31.90 3a4x s HIS 416 CO 0.80 -0.87 -0.17 -0.59 -0.85 0.00 0.00 174.74 173.05 3a4x s PHE 417 N 1.12 1.86 -0.21 1.40 -0.12 -0.84 -4.60 117.98 116.59 3a4x s PHE 417 Ca -0.08 -0.48 0.01 0.00 -0.05 0.00 0.00 56.93 56.32 3a4x s PHE 417 Cb -0.20 -0.89 0.05 0.00 -0.63 0.00 0.00 43.02 41.35 3a4x s PHE 417 CO -0.04 0.40 -0.09 0.12 -0.05 0.00 0.00 175.22 175.56 3a4x s PHE 418 N -2.42 2.36 -0.49 3.49 5.36 -1.26 -1.29 117.98 123.73 3a4x s PHE 418 Ca 0.20 -1.60 0.05 0.00 -0.96 0.00 0.00 56.93 54.62 3a4x s PHE 418 Cb -0.04 -1.60 0.19 0.00 -0.34 0.00 0.00 43.02 41.23 3a4x s PHE 418 CO 0.08 -0.74 0.44 0.00 -1.46 0.00 0.00 175.22 173.54 3a4x n ALA 419 N 4.69 3.01 -1.25 11.12 0.00 -0.91 -4.47 120.51 132.70 3a4x n ALA 419 Ca -0.14 -3.63 -0.33 0.00 0.00 0.00 0.00 53.44 49.35 3a4x n ALA 419 Cb 0.46 -0.84 0.10 0.00 0.00 0.00 0.00 19.45 19.17 3a4x n ALA 419 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3a4x s PRO 420 N -0.74 2.10 0.21 0.00 0.04 -1.25 -3.33 135.00 132.02 3a4x s PRO 420 Ca 0.32 1.55 -0.30 0.00 0.04 0.00 0.00 61.00 62.61 3a4x s PRO 420 Cb 0.06 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.66 3a4x s PRO 420 CO -0.16 -1.82 1.05 0.71 0.04 0.00 0.00 177.00 176.82 3a4x s TYR 421 N -2.33 3.70 -0.17 0.56 1.51 -0.60 -1.23 117.35 118.79 3a4x s TYR 421 Ca 0.69 1.71 -0.00 0.00 -1.01 0.00 0.00 57.07 58.46 3a4x s TYR 421 Cb -0.24 -3.19 0.00 0.00 -0.11 0.00 0.00 41.96 38.42 3a4x s TYR 421 CO 0.48 -0.28 -0.15 0.42 -1.11 0.00 0.00 175.55 174.91 3a4x s ILE 422 N -0.63 2.58 -0.64 2.71 1.01 -0.25 -0.43 121.20 125.55 3a4x s ILE 422 Ca 0.46 -0.78 -0.27 0.00 0.00 0.00 0.00 60.65 60.06 3a4x s ILE 422 Cb -0.29 -2.10 0.01 0.00 0.01 0.00 0.00 42.46 40.09 3a4x s ILE 422 CO 0.35 0.51 1.52 -0.62 0.00 0.00 0.00 174.94 176.70 3a4x s ASP 423 N 1.05 5.85 0.21 3.58 -1.08 -1.26 -1.09 116.67 123.93 3a4x s ASP 423 Ca -0.01 0.05 0.21 0.00 -0.52 0.00 0.00 52.55 52.28 3a4x s ASP 423 Cb -0.15 -2.55 0.91 0.00 -1.46 0.00 0.00 42.92 39.68 3a4x s ASP 423 CO -0.04 -1.98 1.65 0.23 0.52 0.00 0.00 175.17 175.55 3a4x n MET 424 N 9.10 0.15 0.04 4.34 2.81 0.00 -2.87 117.12 130.69 3a4x n MET 424 Ca 0.12 0.41 0.13 0.00 -1.81 0.00 0.00 57.70 56.55 3a4x n MET 424 Cb 0.50 -1.81 0.42 0.00 -0.71 0.00 0.00 33.22 31.63 3a4x n MET 424 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3a4x n SER 425 N -2.10 0.42 -4.77 7.83 3.41 -1.26 -4.91 113.62 112.24 3a4x n SER 425 Ca 0.02 0.32 -0.40 0.00 -0.26 0.00 0.00 58.87 58.55 3a4x n SER 425 Cb 0.20 -0.34 -0.03 0.00 -0.26 0.00 0.00 64.21 63.79 3a4x n SER 425 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3a4x s LEU 426 N -3.60 4.47 0.56 1.04 1.43 -1.14 -4.92 118.68 116.53 3a4x s LEU 426 Ca 0.11 2.53 0.33 0.00 -1.03 0.00 0.00 54.13 56.07 3a4x s LEU 426 Cb 0.16 -3.64 1.60 0.00 0.03 0.00 0.00 46.19 44.34 3a4x s LEU 426 CO 0.61 -0.38 2.09 0.77 0.23 0.00 0.00 176.35 179.67 3a4x h SER 427 N 3.54 0.00 0.53 2.29 4.64 -1.93 -1.96 113.55 120.66 3a4x h SER 427 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3a4x h SER 427 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3a4x h SER 427 CO 0.66 0.06 0.00 1.33 -0.87 0.00 0.00 176.83 178.01 3a4x n VAL 428 N -3.30 0.39 -1.72 0.95 0.24 -1.26 -4.91 118.33 108.72 3a4x n VAL 428 Ca -0.01 0.10 -0.60 0.00 -2.04 0.00 0.00 64.34 61.78 3a4x n VAL 428 Cb 0.24 -0.73 -0.08 0.00 -1.47 0.00 0.00 33.84 31.80 3a4x n VAL 428 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3a4x n HIS 429 N -1.36 1.97 -2.96 6.34 -0.00 -0.74 -4.97 115.22 113.49 3a4x n HIS 429 Ca 0.09 0.70 -0.25 0.00 0.46 0.00 0.00 57.72 58.72 3a4x n HIS 429 Cb 0.20 -2.40 0.00 0.00 -0.12 0.00 0.00 29.99 27.68 3a4x n HIS 429 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 3a4x s LYS 430 N 3.37 3.32 0.44 1.57 1.02 -1.26 -5.06 119.74 123.14 3a4x s LYS 430 Ca 1.00 -0.20 -0.25 0.00 0.02 0.00 0.00 55.97 56.54 3a4x s LYS 430 Cb -1.18 -2.52 -0.09 0.00 -0.52 0.00 0.00 37.83 33.52 3a4x s LYS 430 CO 0.70 -0.15 1.27 -2.30 -0.92 0.00 0.00 175.35 173.94 3a4x n PRO 431 N -2.08 1.87 -0.31 -1.68 -0.02 -1.26 -4.82 135.00 126.69 3a4x n PRO 431 Ca -0.01 0.67 0.09 0.00 -2.02 0.00 0.00 63.50 62.23 3a4x n PRO 431 Cb 0.56 -2.40 0.30 0.00 -0.02 0.00 0.00 33.50 31.95 3a4x n PRO 431 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3a4x h LEU 432 N 1.96 0.80 -1.50 2.45 3.38 -1.98 -0.37 115.31 120.06 3a4x h LEU 432 Ca -0.48 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.51 3a4x h LEU 432 Cb 1.30 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 3a4x h LEU 432 CO 0.59 0.44 0.13 -0.37 0.09 0.00 0.00 178.44 179.32 3a4x h VAL 433 N 0.87 1.13 -0.25 1.22 -1.51 -1.90 0.18 116.25 115.99 3a4x h VAL 433 Ca 0.46 -0.42 -0.14 0.00 -1.23 0.00 0.00 66.70 65.37 3a4x h VAL 433 Cb 0.53 0.75 -0.00 0.00 -2.13 0.00 0.00 31.29 30.44 3a4x h VAL 433 CO -0.22 0.16 -0.37 -0.08 -1.23 0.00 0.00 177.57 175.83 3a4x h GLU 434 N 0.46 0.70 -0.90 5.19 4.81 -1.45 -2.40 114.58 120.99 3a4x h GLU 434 Ca 0.12 -0.41 0.01 0.00 -0.13 0.00 0.00 59.36 58.94 3a4x h GLU 434 Cb 0.10 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 3a4x h GLU 434 CO -0.01 1.03 0.60 1.88 -0.73 0.00 0.00 179.01 181.78 3a4x h TYR 435 N 0.42 1.13 -0.33 0.92 0.99 -0.80 -1.30 116.97 118.00 3a4x h TYR 435 Ca 0.02 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.82 3a4x h TYR 435 Cb 0.96 -0.38 -0.04 0.00 1.00 0.00 0.00 36.73 38.27 3a4x h TYR 435 CO 0.08 0.71 0.09 0.00 -0.00 0.00 0.00 178.16 179.04 3a4x h ALA 436 N 1.44 0.37 -0.72 3.88 0.00 -0.82 0.24 119.26 123.65 3a4x h ALA 436 Ca 0.33 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 3a4x h ALA 436 Cb -0.14 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3a4x h ALA 436 CO -0.07 -0.31 0.43 0.87 0.00 0.00 0.00 179.25 180.17 3a4x h LYS 437 N 0.22 0.98 0.05 0.00 6.56 -0.91 -0.28 116.57 123.18 3a4x h LYS 437 Ca 0.15 -0.09 -0.20 0.00 -1.06 0.00 0.00 60.65 59.45 3a4x h LYS 437 Cb 0.15 -0.20 0.02 0.00 -0.57 0.00 0.00 32.23 31.62 3a4x h LYS 437 CO -0.18 0.69 -0.82 -0.07 -2.06 0.00 0.00 179.45 177.01 3a4x h LEU 438 N 0.98 0.64 0.00 2.94 3.38 -0.90 -3.33 115.31 119.01 3a4x h LEU 438 Ca 0.26 -0.81 -0.15 0.00 0.09 0.00 0.00 57.88 57.27 3a4x h LEU 438 Cb -0.03 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3a4x h LEU 438 CO -0.05 1.37 -0.93 0.71 0.09 0.00 0.00 178.44 179.63 3a4x h THR 439 N -0.02 0.88 0.00 0.22 1.35 -0.56 -3.47 112.91 111.31 3a4x h THR 439 Ca -0.12 -2.36 0.00 0.00 -0.55 0.00 0.00 66.41 63.39 3a4x h THR 439 Cb 1.54 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 70.33 3a4x h THR 439 CO 0.16 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 176.54 3a4x n GLY 440 N 1.31 1.63 3.68 5.82 0.00 -0.12 -4.06 105.19 113.45 3a4x n GLY 440 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3a4x n GLY 440 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3a4x s THR 441 N -2.70 4.35 -0.21 2.61 -1.32 -1.24 -4.81 115.64 112.31 3a4x s THR 441 Ca 0.00 -0.23 0.15 0.00 -1.21 0.00 0.00 61.69 60.40 3a4x s THR 441 Cb 0.00 -2.84 0.70 0.00 -1.51 0.00 0.00 72.50 68.85 3a4x s THR 441 CO 0.00 0.59 1.61 2.29 -2.21 0.00 0.00 174.62 176.91 3a4x n LYS 442 N 2.28 4.04 -5.19 7.08 2.85 -1.26 -4.03 118.16 123.94 3a4x n LYS 442 Ca -0.18 -3.03 -0.31 0.00 -1.05 0.00 0.00 58.31 53.73 3a4x n LYS 442 Cb 0.54 -2.09 -0.17 0.00 -0.65 0.00 0.00 35.03 32.66 3a4x n LYS 442 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3a4x s TYR 443 N -2.81 2.42 0.04 5.58 1.51 -1.26 -1.74 117.35 121.10 3a4x s TYR 443 Ca 0.49 -0.89 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 3a4x s TYR 443 Cb 0.39 -1.61 -0.03 0.00 -0.11 0.00 0.00 41.96 40.59 3a4x s TYR 443 CO 0.13 -0.33 -0.05 -0.06 -1.11 0.00 0.00 175.55 174.13 3a4x s PHE 444 N 0.17 0.52 -0.28 2.71 0.40 -1.14 -3.96 117.98 116.40 3a4x s PHE 444 Ca -0.13 -0.69 -0.09 0.00 -0.60 0.00 0.00 56.93 55.42 3a4x s PHE 444 Cb -0.16 -0.34 -0.03 0.00 0.51 0.00 0.00 43.02 43.00 3a4x s PHE 444 CO 0.07 -0.19 0.14 0.99 0.70 0.00 0.00 175.22 176.92 3a4x s THR 445 N -2.25 4.74 -0.25 0.64 2.01 -0.36 -1.12 115.64 119.06 3a4x s THR 445 Ca -0.06 -0.14 -0.19 0.00 0.31 0.00 0.00 61.69 61.61 3a4x s THR 445 Cb -0.04 -3.30 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 3a4x s THR 445 CO -0.03 0.22 0.59 -0.76 -0.69 0.00 0.00 174.62 173.94 3a4x s LEU 446 N 1.66 4.07 0.05 4.42 1.43 0.33 -1.09 118.68 129.55 3a4x s LEU 446 Ca 0.06 0.66 0.09 0.00 -1.03 0.00 0.00 54.13 53.91 3a4x s LEU 446 Cb -0.16 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.24 3a4x s LEU 446 CO 0.07 -0.32 -0.24 0.00 0.23 0.00 0.00 176.35 176.09 3a4x s ALA 447 N 2.32 2.03 0.09 4.21 0.00 -0.25 -0.84 121.76 129.32 3a4x s ALA 447 Ca 0.25 -1.19 0.07 0.00 0.00 0.00 0.00 51.96 51.08 3a4x s ALA 447 Cb -0.16 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 3a4x s ALA 447 CO 0.09 0.47 -0.18 -0.06 0.00 0.00 0.00 175.76 176.08 3a4x s PHE 448 N -0.83 1.56 -0.06 0.00 0.40 -1.26 -0.82 117.98 116.97 3a4x s PHE 448 Ca 0.10 -0.43 -0.25 0.00 -0.60 0.00 0.00 56.93 55.75 3a4x s PHE 448 Cb -0.09 -0.87 -0.04 0.00 0.51 0.00 0.00 43.02 42.53 3a4x s PHE 448 CO 0.02 0.14 0.75 0.42 0.70 0.00 0.00 175.22 177.25 3a4x s ILE 449 N -1.17 5.02 0.30 0.64 -1.09 0.19 -0.88 121.20 124.21 3a4x s ILE 449 Ca 0.03 1.55 0.03 0.00 -2.23 0.00 0.00 60.65 60.03 3a4x s ILE 449 Cb -0.10 -4.09 -0.05 0.00 -1.58 0.00 0.00 42.46 36.64 3a4x s ILE 449 CO 0.03 0.23 0.09 -0.76 -1.23 0.00 0.00 174.94 173.31 3a4x s LEU 450 N 0.84 1.89 -0.04 2.97 1.43 -0.45 -2.11 118.68 123.22 3a4x s LEU 450 Ca 0.40 -1.42 -0.30 0.00 -1.03 0.00 0.00 54.13 51.78 3a4x s LEU 450 Cb -0.18 -0.14 -0.04 0.00 0.03 0.00 0.00 46.19 45.86 3a4x s LEU 450 CO 0.20 -0.71 1.27 -0.47 0.23 0.00 0.00 176.35 176.87 3a4x s TYR 451 N -3.51 3.08 -0.25 0.29 5.04 -0.45 -1.57 117.35 119.98 3a4x s TYR 451 Ca 0.36 1.08 -0.09 0.00 -2.44 0.00 0.00 57.07 55.98 3a4x s TYR 451 Cb 0.08 -3.50 -0.04 0.00 0.35 0.00 0.00 41.96 38.84 3a4x s TYR 451 CO 0.15 -1.70 0.12 0.45 -1.34 0.00 0.00 175.55 173.23 3a4x s SER 452 N 1.61 5.63 0.25 4.32 0.15 -0.04 -4.64 113.70 120.98 3a4x s SER 452 Ca 0.59 -0.05 -0.02 0.00 0.70 0.00 0.00 55.95 57.17 3a4x s SER 452 Cb -0.27 -2.02 0.30 0.00 -1.71 0.00 0.00 66.02 62.32 3a4x s SER 452 CO 0.23 0.01 1.69 0.77 1.20 0.00 0.00 173.24 177.15 3a4x h SER 453 N 7.91 0.69 -0.54 5.45 4.64 -1.86 0.14 113.55 129.98 3a4x h SER 453 Ca -0.37 -0.22 0.03 0.00 -0.47 0.00 0.00 61.79 60.76 3a4x h SER 453 Cb 1.18 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 63.05 3a4x h SER 453 CO 0.60 0.86 0.32 0.58 -0.87 0.00 0.00 176.83 178.32 3a4x h VAL 454 N 0.62 1.04 -0.02 0.95 2.07 -1.94 -2.75 116.25 116.23 3a4x h VAL 454 Ca 0.10 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.40 3a4x h VAL 454 Cb 0.63 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3a4x h VAL 454 CO 0.04 0.11 -0.15 -1.22 0.02 0.00 0.00 177.57 176.38 3a4x n TYR 455 N -4.79 0.00 -4.20 1.57 4.02 -1.18 -4.96 117.16 107.61 3a4x n TYR 455 Ca 0.04 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.63 3a4x n TYR 455 Cb 0.08 -0.02 -0.06 0.00 -0.02 0.00 0.00 39.34 39.32 3a4x n TYR 455 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3a4x n ASN 456 N 0.39 0.01 0.00 7.72 5.15 0.43 -4.83 115.26 124.14 3a4x n ASN 456 Ca 0.14 -1.16 0.00 0.00 -0.60 0.00 0.00 54.58 52.96 3a4x n ASN 456 Cb 0.46 -2.20 0.00 0.00 -0.53 0.00 0.00 39.78 37.51 3a4x n ASN 456 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3a4x n GLY 457 N -2.18 -0.87 3.77 8.20 0.00 -0.92 -4.98 105.19 108.21 3a4x n GLY 457 Ca -0.26 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 3a4x n GLY 457 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a4x s PRO 458 N -0.88 4.34 0.03 1.61 0.04 -1.26 -0.86 135.00 138.02 3a4x s PRO 458 Ca 0.00 2.14 -0.27 0.00 0.04 0.00 0.00 61.00 62.91 3a4x s PRO 458 Cb 0.00 -3.03 0.07 0.00 0.04 0.00 0.00 34.50 31.57 3a4x s PRO 458 CO 0.00 -0.17 0.63 0.00 0.04 0.00 0.00 177.00 177.50 3a4x s ALA 459 N -1.17 -1.65 0.20 8.56 0.00 -0.61 -4.39 121.76 122.71 3a4x s ALA 459 Ca 0.49 0.94 -0.30 0.00 0.00 0.00 0.00 51.96 53.10 3a4x s ALA 459 Cb -0.38 0.34 -0.09 0.00 0.00 0.00 0.00 23.12 22.99 3a4x s ALA 459 CO 0.50 -0.52 1.36 -1.58 0.00 0.00 0.00 175.76 175.53 3a4x s TRP 460 N -2.19 3.19 -1.34 0.00 0.52 -0.01 -1.34 118.94 117.77 3a4x s TRP 460 Ca -0.06 1.11 0.00 0.00 0.02 0.00 0.00 56.10 57.17 3a4x s TRP 460 Cb -0.00 -3.68 0.00 0.00 -1.15 0.00 0.00 33.47 28.64 3a4x s TRP 460 CO 0.01 -2.20 0.00 0.00 0.02 0.00 0.00 176.95 174.78 3a4x n ALA 461 N 2.79 -0.19 -1.15 0.98 0.00 -0.06 -0.73 120.51 122.15 3a4x n ALA 461 Ca 0.07 0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.66 3a4x n ALA 461 Cb 0.42 -1.56 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 3a4x n ALA 461 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a4x n GLY 462 N -0.06 0.78 0.00 0.00 0.00 -0.95 -4.82 105.19 100.15 3a4x n GLY 462 Ca -0.13 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.29 3a4x n GLY 462 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a4x n SER 463 N 0.68 0.00 -4.69 1.61 3.41 -0.14 -3.98 113.62 110.50 3a4x n SER 463 Ca -0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.21 3a4x n SER 463 Cb 0.21 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.07 3a4x n SER 463 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3a4x s ILE 464 N 0.00 4.95 0.16 -1.33 1.01 0.09 -4.91 121.20 121.18 3a4x s ILE 464 Ca 0.00 0.02 -0.33 0.00 0.00 0.00 0.00 60.65 60.33 3a4x s ILE 464 Cb 0.00 -3.21 -0.16 0.00 0.01 0.00 0.00 42.46 39.11 3a4x s ILE 464 CO 0.00 0.50 1.23 -2.65 0.00 0.00 0.00 174.94 174.02 3a4x n PRO 465 N 3.12 1.28 -0.29 2.79 -0.02 -1.26 -0.83 135.00 139.80 3a4x n PRO 465 Ca -0.17 0.46 0.04 0.00 -2.02 0.00 0.00 63.50 61.81 3a4x n PRO 465 Cb 0.53 -2.01 0.18 0.00 -0.02 0.00 0.00 33.50 32.18 3a4x n PRO 465 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3a4x h LEU 466 N 3.75 0.59 -0.17 2.45 5.85 -1.94 -2.15 115.31 123.70 3a4x h LEU 466 Ca -0.44 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3a4x h LEU 466 Cb 1.33 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.32 3a4x h LEU 466 CO 0.73 0.31 0.00 -1.84 -0.34 0.00 0.00 178.44 177.30 3a4x n GLU 467 N -4.80 1.11 -0.29 1.25 0.00 -1.26 -4.28 120.64 112.36 3a4x n GLU 467 Ca 0.14 -0.17 0.12 0.00 0.00 0.00 0.00 57.16 57.26 3a4x n GLU 467 Cb 0.33 -1.36 0.36 0.00 0.00 0.00 0.00 31.44 30.77 3a4x n GLU 467 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 3a4x h LYS 468 N 0.36 0.70 -0.53 3.44 3.64 -1.74 -2.57 116.57 119.86 3a4x h LYS 468 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3a4x h LYS 468 Cb 0.08 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 3a4x h LYS 468 CO 0.00 0.46 0.00 1.19 -2.27 0.00 0.00 179.45 178.83 3a4x n PHE 469 N -4.59 1.27 -0.09 1.91 3.01 -1.26 -4.55 117.46 113.16 3a4x n PHE 469 Ca 0.19 -0.65 -0.08 0.00 1.01 0.00 0.00 57.45 57.92 3a4x n PHE 469 Cb 0.49 -0.24 -0.01 0.00 -0.01 0.00 0.00 39.48 39.71 3a4x n PHE 469 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3a4x h VAL 470 N 3.37 1.02 -0.65 -4.37 2.07 -1.76 -1.79 116.25 114.14 3a4x h VAL 470 Ca 0.00 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 67.34 3a4x h VAL 470 Cb 1.37 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 3a4x h VAL 470 CO 0.21 0.06 0.17 0.44 0.02 0.00 0.00 177.57 178.48 3a4x h ASP 471 N 0.35 0.95 -0.90 0.57 3.32 -1.83 -0.57 116.42 118.31 3a4x h ASP 471 Ca 0.12 -0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 3a4x h ASP 471 Cb 0.01 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.27 3a4x h ASP 471 CO -0.07 0.91 0.53 -0.33 -1.72 0.00 0.00 179.24 178.56 3a4x h GLU 472 N 0.97 1.24 -0.27 3.56 5.08 -1.76 -0.48 114.58 122.93 3a4x h GLU 472 Ca 0.21 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 3a4x h GLU 472 Cb 0.32 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3a4x h GLU 472 CO -0.00 0.88 0.02 0.28 -1.00 0.00 0.00 179.01 179.19 3a4x h VAL 473 N 1.25 1.24 -0.69 3.13 2.07 -0.91 -0.93 116.25 121.43 3a4x h VAL 473 Ca 0.32 -0.85 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 3a4x h VAL 473 Cb -0.02 1.28 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3a4x h VAL 473 CO -0.06 0.27 0.42 -0.09 0.02 0.00 0.00 177.57 178.13 3a4x h ARG 474 N 0.25 0.92 -0.30 1.57 2.43 -0.80 -0.30 114.38 118.16 3a4x h ARG 474 Ca 0.08 -0.08 -0.11 0.00 -0.81 0.00 0.00 59.98 59.07 3a4x h ARG 474 Cb 0.38 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 3a4x h ARG 474 CO 0.01 0.64 -0.26 0.93 -1.51 0.00 0.00 179.97 179.78 3a4x h GLU 475 N 0.94 0.59 -0.79 0.20 4.39 -0.84 -2.32 114.58 116.75 3a4x h GLU 475 Ca 0.25 -0.24 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 3a4x h GLU 475 Cb -0.05 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 3a4x h GLU 475 CO -0.05 0.79 0.32 1.25 -1.16 0.00 0.00 179.01 180.16 3a4x h LEU 476 N 0.52 1.09 -1.83 1.33 5.85 -0.78 -2.63 115.31 118.86 3a4x h LEU 476 Ca 0.07 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.59 3a4x h LEU 476 Cb 0.72 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 3a4x h LEU 476 CO 0.06 0.97 -0.14 0.03 -0.34 0.00 0.00 178.44 179.01 3a4x h ARG 477 N 1.15 0.00 0.00 1.25 3.08 -0.54 -1.17 114.38 118.15 3a4x h ARG 477 Ca 0.26 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.30 3a4x h ARG 477 Cb 0.21 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 3a4x h ARG 477 CO -0.02 0.14 -0.06 0.93 -1.07 0.00 0.00 179.97 179.89 3a4x h GLU 478 N 0.00 0.00 -0.54 0.04 5.08 -1.05 -1.58 114.58 116.54 3a4x h GLU 478 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3a4x h GLU 478 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3a4x h GLU 478 CO 0.02 0.06 0.00 0.44 -1.00 0.00 0.00 179.01 178.53 3a4x n ILE 479 N -3.31 1.69 -0.58 3.13 -5.35 -0.88 -4.94 119.36 109.13 3a4x n ILE 479 Ca -0.01 -1.25 0.00 0.00 -0.27 0.00 0.00 62.75 61.22 3a4x n ILE 479 Cb 0.24 0.17 0.00 0.00 -1.74 0.00 0.00 39.64 38.31 3a4x n ILE 479 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a4x n GLY 480 N 0.80 0.75 3.86 3.28 0.00 -0.59 -5.06 105.19 108.22 3a4x n GLY 480 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 3a4x n GLY 480 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a4x s GLY 481 N -1.81 1.66 0.14 -0.02 0.00 -0.49 -4.78 107.32 102.01 3a4x s GLY 481 Ca 0.00 -0.86 -0.24 0.00 0.00 0.00 0.00 44.72 43.62 3a4x s GLY 481 CO 0.00 -0.21 0.70 1.85 0.00 0.00 0.00 173.10 175.44 3a4x s GLU 482 N -5.62 1.23 0.20 2.90 2.56 -0.71 -4.04 118.70 115.22 3a4x s GLU 482 Ca 0.68 -0.51 0.06 0.00 0.00 0.00 0.00 54.97 55.21 3a4x s GLU 482 Cb -0.09 0.53 -0.05 0.00 2.00 0.00 0.00 34.13 36.53 3a4x s GLU 482 CO 0.52 -0.55 -0.11 0.14 -0.56 0.00 0.00 175.26 174.71 3a4x s VAL 483 N -3.60 1.50 -0.10 3.70 -7.23 -1.26 -2.88 120.40 110.53 3a4x s VAL 483 Ca 0.04 -2.14 0.03 0.00 -1.81 0.00 0.00 61.98 58.10 3a4x s VAL 483 Cb -0.02 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 3a4x s VAL 483 CO -0.09 -0.58 -0.20 -0.63 -0.31 0.00 0.00 175.10 173.29 3a4x s ILE 484 N -3.12 2.45 -0.23 -0.62 1.01 -0.27 -4.49 121.20 115.92 3a4x s ILE 484 Ca 0.22 -0.90 -0.13 0.00 0.00 0.00 0.00 60.65 59.84 3a4x s ILE 484 Cb 0.01 -1.96 -0.04 0.00 0.01 0.00 0.00 42.46 40.48 3a4x s ILE 484 CO 0.06 0.55 0.29 -0.63 0.00 0.00 0.00 174.94 175.22 3a4x s ILE 485 N 0.16 5.26 -0.10 2.92 -1.09 -0.74 -0.52 121.20 127.09 3a4x s ILE 485 Ca -0.11 0.46 -0.05 0.00 -2.23 0.00 0.00 60.65 58.72 3a4x s ILE 485 Cb -0.16 -3.63 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 3a4x s ILE 485 CO 0.06 0.27 0.10 0.00 -1.23 0.00 0.00 174.94 174.14 3a4x s ALA 486 N 1.34 3.69 0.01 9.38 0.00 -0.02 -0.17 121.76 135.98 3a4x s ALA 486 Ca 0.13 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.44 3a4x s ALA 486 Cb -0.14 -1.80 -0.03 0.00 0.00 0.00 0.00 23.12 21.14 3a4x s ALA 486 CO 0.07 0.62 -0.11 -0.06 0.00 0.00 0.00 175.76 176.27 3a4x s PHE 487 N -1.00 2.75 0.00 0.00 0.40 0.75 -0.64 117.98 120.25 3a4x s PHE 487 Ca 0.15 -0.13 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 3a4x s PHE 487 Cb -0.12 -1.56 0.00 0.00 0.51 0.00 0.00 43.02 41.85 3a4x s PHE 487 CO 0.04 0.31 0.00 0.41 0.70 0.00 0.00 175.22 176.68 3a4x n GLY 488 N 1.64 0.81 0.00 4.36 0.00 -0.90 -0.40 105.19 110.70 3a4x n GLY 488 Ca -0.16 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3a4x n GLY 488 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a4x n GLY 489 N 0.00 -1.53 0.22 -0.02 0.00 0.06 -4.67 105.19 99.24 3a4x n GLY 489 Ca 0.00 -2.09 0.08 0.00 0.00 0.00 0.00 46.02 44.00 3a4x n GLY 489 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a4x h ALA 490 N 0.00 1.23 -3.50 4.61 0.00 -1.99 -3.40 119.26 116.22 3a4x h ALA 490 Ca 0.00 -0.24 -0.68 0.00 0.00 0.00 0.00 54.91 53.99 3a4x h ALA 490 Cb 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 17.79 17.42 3a4x h ALA 490 CO 0.00 0.33 -0.88 0.08 0.00 0.00 0.00 179.25 178.78 3a4x s VAL 491 N -4.01 2.03 0.00 0.00 1.01 -1.26 -4.95 120.40 113.22 3a4x s VAL 491 Ca -0.02 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.95 3a4x s VAL 491 Cb 0.13 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.76 3a4x s VAL 491 CO 0.66 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.92 3a4x n GLY 492 N 3.40 -1.08 3.76 4.51 0.00 -1.26 -4.83 105.19 109.69 3a4x n GLY 492 Ca -0.19 -1.66 -0.39 0.00 0.00 0.00 0.00 46.02 43.79 3a4x n GLY 492 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a4x s PRO 493 N -2.32 4.33 0.50 1.61 0.04 -1.26 -5.01 135.00 132.89 3a4x s PRO 493 Ca 0.00 0.74 -0.20 0.00 0.04 0.00 0.00 61.00 61.58 3a4x s PRO 493 Cb 0.00 -3.36 -0.08 0.00 0.04 0.00 0.00 34.50 31.10 3a4x s PRO 493 CO 0.00 0.32 1.04 0.71 0.04 0.00 0.00 177.00 179.11 3a4x s TYR 494 N -0.04 3.01 0.26 0.56 4.12 -1.26 -1.34 117.35 122.66 3a4x s TYR 494 Ca 0.31 1.57 -0.01 0.00 0.02 0.00 0.00 57.07 58.96 3a4x s TYR 494 Cb -0.18 -3.05 0.53 0.00 -1.52 0.00 0.00 41.96 37.75 3a4x s TYR 494 CO 0.17 -0.83 1.74 -0.07 0.02 0.00 0.00 175.55 176.58 3a4x h LEU 495 N 1.44 0.40 -0.70 -1.29 3.38 -1.86 -1.53 115.31 115.15 3a4x h LEU 495 Ca -0.49 0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.59 3a4x h LEU 495 Cb 1.22 0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.03 3a4x h LEU 495 CO 0.59 0.14 0.00 0.00 0.09 0.00 0.00 178.44 179.26 3a4x h GLN 497 N 0.00 0.29 0.01 0.00 4.20 -1.71 -3.40 115.11 114.50 3a4x h GLN 497 Ca 0.00 -0.49 -0.22 0.00 0.06 0.00 0.00 58.65 58.00 3a4x h GLN 497 Cb 0.45 0.18 -0.00 0.00 0.30 0.00 0.00 27.48 28.41 3a4x h GLN 497 CO 0.00 1.23 -0.94 0.37 -0.67 0.00 0.00 178.83 178.82 3a4x h GLN 498 N -0.24 0.34 -6.72 1.46 5.75 -0.95 -3.46 115.11 111.30 3a4x h GLN 498 Ca -0.28 -0.38 -0.52 0.00 -0.15 0.00 0.00 58.65 57.31 3a4x h GLN 498 Cb 1.81 0.11 0.07 0.00 1.07 0.00 0.00 27.48 30.54 3a4x h GLN 498 CO 0.10 1.07 0.96 0.00 -2.65 0.00 0.00 178.83 178.31 3a4x s ALA 499 N -3.22 3.86 0.19 3.38 0.00 -0.23 -4.91 121.76 120.84 3a4x s ALA 499 Ca -0.05 1.58 0.06 0.00 0.00 0.00 0.00 51.96 53.56 3a4x s ALA 499 Cb 0.09 -3.68 0.06 0.00 0.00 0.00 0.00 23.12 19.60 3a4x s ALA 499 CO 0.86 -0.95 1.43 0.66 0.00 0.00 0.00 175.76 177.76 3a4x h SER 500 N 6.01 0.11 -4.31 0.00 4.64 -1.91 -3.47 113.55 114.62 3a4x h SER 500 Ca -0.45 -0.08 -0.28 0.00 -0.47 0.00 0.00 61.79 60.51 3a4x h SER 500 Cb 1.21 -0.03 -0.15 0.00 -0.31 0.00 0.00 62.40 63.11 3a4x h SER 500 CO 0.89 0.87 -0.71 0.42 -0.87 0.00 0.00 176.83 177.44 3a4x s THR 501 N -3.22 0.92 0.48 2.95 -4.23 -1.26 -5.04 115.64 106.25 3a4x s THR 501 Ca -0.01 -1.92 0.15 0.00 -1.18 0.00 0.00 61.69 58.72 3a4x s THR 501 Cb 0.11 -1.68 0.23 0.00 1.34 0.00 0.00 72.50 72.50 3a4x s THR 501 CO 0.80 -0.76 2.07 -0.65 -0.54 0.00 0.00 174.62 175.54 3a4x h PRO 502 N 3.01 0.00 -0.34 3.99 0.11 -1.90 -2.27 132.00 134.60 3a4x h PRO 502 Ca -0.36 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.71 3a4x h PRO 502 Cb 1.18 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3a4x h PRO 502 CO 0.62 0.09 0.05 0.93 -0.21 0.00 0.00 178.00 179.48 3a4x h GLU 503 N 0.00 0.57 -0.57 1.05 3.07 -1.94 0.56 114.58 117.32 3a4x h GLU 503 Ca -0.00 -0.16 -0.03 0.00 -0.50 0.00 0.00 59.36 58.67 3a4x h GLU 503 Cb 0.16 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 3a4x h GLU 503 CO 0.01 0.65 0.23 0.37 -1.40 0.00 0.00 179.01 178.88 3a4x h GLN 504 N 0.39 0.85 -0.25 2.33 5.75 -1.92 -1.02 115.11 121.24 3a4x h GLN 504 Ca 0.10 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 3a4x h GLN 504 Cb 0.37 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 3a4x h GLN 504 CO 0.01 0.73 0.14 1.25 -2.65 0.00 0.00 178.83 178.31 3a4x h LEU 505 N 0.79 0.32 -0.98 -2.39 5.85 -1.24 -1.98 115.31 115.69 3a4x h LEU 505 Ca 0.19 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.80 3a4x h LEU 505 Cb 0.19 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3a4x h LEU 505 CO -0.02 0.32 0.47 0.00 -0.34 0.00 0.00 178.44 178.88 3a4x h ALA 506 N 1.01 1.22 -0.62 1.25 0.00 -0.74 -1.20 119.26 120.19 3a4x h ALA 506 Ca 0.09 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3a4x h ALA 506 Cb 0.08 -0.34 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 3a4x h ALA 506 CO -0.01 0.63 0.34 1.49 0.00 0.00 0.00 179.25 181.70 3a4x h GLU 507 N 1.19 0.62 -0.22 0.00 4.81 -0.86 0.37 114.58 120.49 3a4x h GLU 507 Ca 0.30 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 3a4x h GLU 507 Cb 0.02 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 3a4x h GLU 507 CO -0.05 0.41 0.06 -1.49 -0.73 0.00 0.00 179.01 177.21 3a4x h TRP 508 N 0.64 0.37 -0.65 0.92 6.55 -0.61 -0.56 115.95 122.61 3a4x h TRP 508 Ca 0.27 -0.04 0.03 0.00 0.95 0.00 0.00 58.89 60.10 3a4x h TRP 508 Cb 0.16 -0.10 -0.04 0.00 -0.86 0.00 0.00 29.16 28.31 3a4x h TRP 508 CO -0.08 0.45 0.40 1.88 -1.05 0.00 0.00 178.44 180.03 3a4x h TYR 509 N 0.18 0.75 -0.38 0.49 0.99 -0.99 -2.32 116.97 115.70 3a4x h TYR 509 Ca 0.07 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.74 3a4x h TYR 509 Cb 0.26 -0.24 -0.02 0.00 1.00 0.00 0.00 36.73 37.73 3a4x h TYR 509 CO 0.01 0.43 -0.12 0.82 -0.00 0.00 0.00 178.16 179.29 3a4x h ILE 510 N 0.78 1.25 -0.81 -2.88 2.04 -0.75 -0.76 117.51 116.38 3a4x h ILE 510 Ca 0.26 -1.13 0.02 0.00 1.00 0.00 0.00 64.86 65.02 3a4x h ILE 510 Cb 0.02 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 3a4x h ILE 510 CO -0.11 0.38 0.52 0.50 0.00 0.00 0.00 178.15 179.45 3a4x h LYS 511 N 0.61 1.01 -0.16 2.37 3.64 -0.74 0.41 116.57 123.70 3a4x h LYS 511 Ca 0.11 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 3a4x h LYS 511 Cb 0.56 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3a4x h LYS 511 CO 0.04 0.67 0.01 0.28 -2.27 0.00 0.00 179.45 178.17 3a4x h VAL 512 N 1.04 1.25 -0.39 2.00 2.07 -0.84 -1.14 116.25 120.23 3a4x h VAL 512 Ca 0.31 -0.81 0.08 0.00 0.82 0.00 0.00 66.70 67.10 3a4x h VAL 512 Cb -0.04 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 3a4x h VAL 512 CO -0.10 0.24 -0.08 0.40 0.02 0.00 0.00 177.57 178.06 3a4x h ILE 513 N 0.04 0.63 -0.17 4.57 2.04 -0.89 -2.60 117.51 121.13 3a4x h ILE 513 Ca 0.05 -0.01 -0.14 0.00 1.00 0.00 0.00 64.86 65.76 3a4x h ILE 513 Cb 0.36 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3a4x h ILE 513 CO 0.01 0.00 -0.48 0.44 0.00 0.00 0.00 178.15 178.12 3a4x h ASP 514 N 0.02 0.49 -0.50 1.72 3.32 -0.81 0.12 116.42 120.78 3a4x h ASP 514 Ca 0.19 -0.24 -0.06 0.00 0.02 0.00 0.00 57.03 56.94 3a4x h ASP 514 Cb 0.28 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 3a4x h ASP 514 CO -0.38 0.90 0.12 0.74 -1.72 0.00 0.00 179.24 178.89 3a4x h THR 515 N 0.36 1.23 -0.13 0.35 2.02 -0.90 -3.13 112.91 112.71 3a4x h THR 515 Ca 0.02 -0.85 0.00 0.00 0.77 0.00 0.00 66.41 66.34 3a4x h THR 515 Cb 0.98 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3a4x h THR 515 CO 0.09 0.32 0.00 -1.22 0.37 0.00 0.00 175.52 175.07 3a4x n TYR 516 N -4.26 0.15 -4.16 3.16 4.02 -1.01 -4.96 117.16 110.10 3a4x n TYR 516 Ca 0.04 -0.10 -0.30 0.00 -0.01 0.00 0.00 57.90 57.52 3a4x n TYR 516 Cb 0.24 -0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.50 3a4x n TYR 516 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3a4x n ASN 517 N 1.01 -0.60 -4.77 7.72 4.05 0.23 -4.88 115.26 118.03 3a4x n ASN 517 Ca 0.12 -1.11 -0.38 0.00 0.45 0.00 0.00 54.58 53.66 3a4x n ASN 517 Cb 0.46 -2.44 -0.00 0.00 1.23 0.00 0.00 39.78 39.03 3a4x n ASN 517 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3a4x s ALA 518 N -3.91 2.99 -0.59 5.20 0.00 -0.16 -4.87 121.76 120.42 3a4x s ALA 518 Ca 0.21 1.05 0.05 0.00 0.00 0.00 0.00 51.96 53.26 3a4x s ALA 518 Cb -0.12 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 19.61 3a4x s ALA 518 CO 0.94 -0.80 0.62 0.25 0.00 0.00 0.00 175.76 176.77 3a4x n THR 519 N -0.47 0.00 -3.66 0.00 -2.24 -1.26 -4.83 114.28 101.82 3a4x n THR 519 Ca 0.07 -0.49 -0.07 0.00 -2.27 0.00 0.00 64.05 61.29 3a4x n THR 519 Cb 0.47 1.10 -0.08 0.00 -2.10 0.00 0.00 70.33 69.71 3a4x n THR 519 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3a4x s TYR 520 N -0.51 -0.94 0.08 4.78 6.04 -1.26 -1.17 117.35 124.38 3a4x s TYR 520 Ca 0.06 1.82 0.08 0.00 0.04 0.00 0.00 57.07 59.06 3a4x s TYR 520 Cb 0.04 0.50 -0.04 0.00 -1.04 0.00 0.00 41.96 41.43 3a4x s TYR 520 CO 0.07 -0.49 -0.16 -0.51 -1.54 0.00 0.00 175.55 172.92 3a4x s LEU 521 N 1.93 2.75 -0.12 6.97 1.43 -0.33 -1.80 118.68 129.52 3a4x s LEU 521 Ca -0.08 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 3a4x s LEU 521 Cb -0.08 -1.60 0.01 0.00 0.03 0.00 0.00 46.19 44.55 3a4x s LEU 521 CO -0.17 0.21 -0.16 -0.62 0.23 0.00 0.00 176.35 175.84 3a4x s ASP 522 N -1.86 2.58 -0.47 2.29 2.15 0.76 -0.37 116.67 121.74 3a4x s ASP 522 Ca 0.17 -0.46 -0.11 0.00 0.43 0.00 0.00 52.55 52.58 3a4x s ASP 522 Cb -0.11 -1.16 0.11 0.00 -0.30 0.00 0.00 42.92 41.46 3a4x s ASP 522 CO 0.09 0.03 0.35 -0.36 -0.17 0.00 0.00 175.17 175.10 3a4x s PHE 523 N 0.97 3.36 -1.03 -5.34 0.40 0.19 -0.18 117.98 116.35 3a4x s PHE 523 Ca -0.06 -1.61 -0.15 0.00 -0.60 0.00 0.00 56.93 54.50 3a4x s PHE 523 Cb -0.15 -3.37 0.17 0.00 0.51 0.00 0.00 43.02 40.18 3a4x s PHE 523 CO -0.02 -0.94 1.19 0.00 0.70 0.00 0.00 175.22 176.14 3a4x s ALA 524 N 1.44 3.83 -0.48 5.36 0.00 0.47 -0.88 121.76 131.50 3a4x s ALA 524 Ca 0.04 -3.16 -0.15 0.00 0.00 0.00 0.00 51.96 48.69 3a4x s ALA 524 Cb -0.26 -3.96 0.08 0.00 0.00 0.00 0.00 23.12 18.99 3a4x s ALA 524 CO 0.01 -2.73 0.40 0.42 0.00 0.00 0.00 175.76 173.86 3a4x s ILE 525 N 1.55 5.13 -0.22 0.00 -1.09 -0.46 -0.76 121.20 125.34 3a4x s ILE 525 Ca 0.34 -1.17 0.06 0.00 -2.23 0.00 0.00 60.65 57.65 3a4x s ILE 525 Cb -0.05 -4.11 -0.17 0.00 -1.58 0.00 0.00 42.46 36.55 3a4x s ILE 525 CO -0.06 -0.62 -0.13 1.21 -1.23 0.00 0.00 174.94 174.12 3a4x n GLU 526 N 5.18 0.72 -2.62 2.79 0.00 -1.26 -4.35 120.64 121.10 3a4x n GLU 526 Ca -0.12 0.09 -0.25 0.00 0.00 0.00 0.00 57.16 56.88 3a4x n GLU 526 Cb 0.43 -1.46 0.03 0.00 0.00 0.00 0.00 31.44 30.43 3a4x n GLU 526 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3a4x s ALA 527 N -2.45 3.50 0.23 4.31 0.00 -1.26 -4.95 121.76 121.14 3a4x s ALA 527 Ca -0.25 -0.88 -0.31 0.00 0.00 0.00 0.00 51.96 50.53 3a4x s ALA 527 Cb 0.07 -2.40 -0.10 0.00 0.00 0.00 0.00 23.12 20.69 3a4x s ALA 527 CO 0.59 -0.66 1.53 0.20 0.00 0.00 0.00 175.76 177.42 3a4x s GLY 528 N -4.29 1.99 0.24 0.00 0.00 -1.26 -5.01 107.32 98.99 3a4x s GLY 528 Ca 0.52 1.41 0.01 0.00 0.00 0.00 0.00 44.72 46.66 3a4x s GLY 528 CO 0.42 2.48 0.13 -0.26 0.00 0.00 0.00 173.10 175.87 3a4x s ILE 529 N 0.39 0.26 -0.62 0.90 -4.36 -1.26 -5.03 121.20 111.48 3a4x s ILE 529 Ca 0.64 -2.00 -0.20 0.00 -0.26 0.00 0.00 60.65 58.83 3a4x s ILE 529 Cb -0.44 -2.55 0.09 0.00 1.25 0.00 0.00 42.46 40.81 3a4x s ILE 529 CO 0.40 0.00 0.79 -0.62 0.24 0.00 0.00 174.94 175.75 3a4x s ASP 530 N -3.26 6.18 0.29 4.36 -1.08 -1.26 -4.91 116.67 117.00 3a4x s ASP 530 Ca 0.38 -1.30 0.04 0.00 -0.52 0.00 0.00 52.55 51.16 3a4x s ASP 530 Cb 0.07 -2.34 0.44 0.00 -1.46 0.00 0.00 42.92 39.63 3a4x s ASP 530 CO 0.14 -1.22 1.72 0.00 0.52 0.00 0.00 175.17 176.33 3a4x h ALA 531 N 9.31 1.12 -0.59 3.66 0.00 -1.98 -1.93 119.26 128.85 3a4x h ALA 531 Ca -0.29 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 3a4x h ALA 531 Cb 1.08 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3a4x h ALA 531 CO 1.13 0.56 0.35 0.22 0.00 0.00 0.00 179.25 181.50 3a4x h ASP 532 N 0.34 0.72 -0.34 0.00 1.82 -1.97 0.17 116.42 117.15 3a4x h ASP 532 Ca 0.04 -0.07 -0.06 0.00 -0.39 0.00 0.00 57.03 56.56 3a4x h ASP 532 Cb 0.71 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.53 3a4x h ASP 532 CO 0.05 0.58 -0.01 0.50 -1.61 0.00 0.00 179.24 178.76 3a4x h LYS 533 N 0.80 0.61 -0.22 0.28 3.64 -1.91 -1.06 116.57 118.71 3a4x h LYS 533 Ca 0.21 -0.20 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3a4x h LYS 533 Cb 0.00 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 3a4x h LYS 533 CO -0.04 0.73 0.00 1.25 -2.27 0.00 0.00 179.45 179.12 3a4x h LEU 534 N 0.41 -0.08 -0.65 5.20 5.85 -1.15 -1.52 115.31 123.37 3a4x h LEU 534 Ca 0.10 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.87 3a4x h LEU 534 Cb 0.46 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 3a4x h LEU 534 CO 0.02 -0.01 0.43 0.00 -0.34 0.00 0.00 178.44 178.53 3a4x h ALA 535 N 1.18 0.83 -0.70 1.25 0.00 -0.50 -0.21 119.26 121.11 3a4x h ALA 535 Ca 0.10 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 3a4x h ALA 535 Cb 0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3a4x h ALA 535 CO -0.17 0.24 0.29 -0.44 0.00 0.00 0.00 179.25 179.17 3a4x h ASP 536 N 0.87 0.94 -0.41 0.00 3.32 -0.97 -0.19 116.42 119.98 3a4x h ASP 536 Ca 0.24 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.12 3a4x h ASP 536 Cb -0.08 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.21 3a4x h ASP 536 CO -0.06 0.83 0.08 0.00 -1.72 0.00 0.00 179.24 178.37 3a4x h ALA 537 N 1.30 0.54 0.00 3.45 0.00 -0.78 -2.99 119.26 120.80 3a4x h ALA 537 Ca 0.24 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3a4x h ALA 537 Cb 0.18 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3a4x h ALA 537 CO -0.02 0.25 -0.37 -0.07 0.00 0.00 0.00 179.25 179.04 3a4x h LEU 538 N 0.53 0.00 -0.81 0.00 3.38 -0.54 -0.42 115.31 117.45 3a4x h LEU 538 Ca 0.13 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3a4x h LEU 538 Cb 0.36 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 3a4x h LEU 538 CO 0.01 0.37 0.52 -0.07 0.09 0.00 0.00 178.44 179.35 3a4x h LEU 539 N 0.00 0.85 -0.09 1.67 3.38 -0.96 0.47 115.31 120.63 3a4x h LEU 539 Ca -0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3a4x h LEU 539 Cb 0.68 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3a4x h LEU 539 CO 0.05 0.59 -0.00 0.40 0.09 0.00 0.00 178.44 179.56 3a4x h ILE 540 N 1.00 1.25 -0.21 1.22 2.04 -1.19 -2.35 117.51 119.28 3a4x h ILE 540 Ca 0.32 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.44 3a4x h ILE 540 Cb 0.02 1.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.67 3a4x h ILE 540 CO -0.12 0.22 -0.05 0.58 0.00 0.00 0.00 178.15 178.78 3a4x h VAL 541 N -0.13 0.79 0.00 1.67 2.07 -0.86 -0.39 116.25 119.40 3a4x h VAL 541 Ca 0.02 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 3a4x h VAL 541 Cb 0.35 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 3a4x h VAL 541 CO 0.00 0.00 -0.29 0.06 0.02 0.00 0.00 177.57 177.36 3a4x h GLN 542 N -0.01 0.00 -0.16 1.57 3.07 -0.94 0.33 115.11 118.98 3a4x h GLN 542 Ca 0.10 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.74 3a4x h GLN 542 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.72 3a4x h GLN 542 CO -0.21 0.29 -0.30 -0.09 0.09 0.00 0.00 178.83 178.61 3a4x h ARG 543 N 0.00 0.48 0.00 0.06 2.43 -0.94 -3.05 114.38 113.36 3a4x h ARG 543 Ca -0.00 -0.31 -0.19 0.00 -0.81 0.00 0.00 59.98 58.67 3a4x h ARG 543 Cb 0.64 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 3a4x h ARG 543 CO 0.04 0.91 -0.94 0.93 -1.51 0.00 0.00 179.97 179.40 3a4x h GLU 544 N 0.11 0.00 -2.15 0.20 5.08 -0.69 -3.38 114.58 113.74 3a4x h GLU 544 Ca 0.01 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 3a4x h GLU 544 Cb 0.89 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.74 3a4x h GLU 544 CO 0.07 0.86 -0.83 0.54 -1.00 0.00 0.00 179.01 178.64 3a4x n ARG 545 N -3.30 1.61 0.00 2.33 5.12 0.11 -4.99 116.66 117.54 3a4x n ARG 545 Ca -0.01 -3.97 0.08 0.00 -1.93 0.00 0.00 57.85 52.03 3a4x n ARG 545 Cb 0.90 -1.78 0.41 0.00 -1.16 0.00 0.00 32.46 30.84 3a4x n ARG 545 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3a4x n PRO 546 N 1.22 0.19 0.00 5.56 -0.04 -1.15 -2.17 135.00 138.61 3a4x n PRO 546 Ca 0.26 0.14 0.14 0.00 -0.04 0.00 0.00 63.50 64.00 3a4x n PRO 546 Cb 0.46 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.89 3a4x n PRO 546 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3a4x n TRP 547 N -1.33 0.00 -3.41 0.54 2.14 -1.26 -4.90 117.44 109.21 3a4x n TRP 547 Ca 0.07 0.00 -0.38 0.00 2.07 0.00 0.00 57.50 59.26 3a4x n TRP 547 Cb 0.15 -0.03 -0.08 0.00 -0.81 0.00 0.00 31.31 30.54 3a4x n TRP 547 CO 0.00 0.00 0.00 0.08 2.07 0.00 0.00 177.69 179.84 3a4x s VAL 548 N -2.11 5.21 0.36 -1.67 1.01 -0.92 -4.84 120.40 117.43 3a4x s VAL 548 Ca 0.34 0.63 -0.16 0.00 0.00 0.00 0.00 61.98 62.79 3a4x s VAL 548 Cb 0.21 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 3a4x s VAL 548 CO 0.38 0.23 0.80 -0.54 0.00 0.00 0.00 175.10 175.97 3a4x s LYS 549 N 1.49 4.04 -0.14 2.72 1.02 -0.32 -4.93 119.74 123.62 3a4x s LYS 549 Ca 0.17 0.77 0.00 0.00 0.02 0.00 0.00 55.97 56.94 3a4x s LYS 549 Cb -0.15 -2.35 -0.01 0.00 -0.52 0.00 0.00 37.83 34.80 3a4x s LYS 549 CO 0.08 0.08 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.38 3a4x s PHE 550 N -2.09 2.77 0.02 3.18 2.99 -1.26 -1.19 117.98 122.39 3a4x s PHE 550 Ca 0.56 -0.87 0.04 0.00 0.00 0.00 0.00 56.93 56.66 3a4x s PHE 550 Cb -0.10 -1.85 -0.03 0.00 0.00 0.00 0.00 43.02 41.04 3a4x s PHE 550 CO 0.18 -0.35 -0.08 0.45 -0.00 0.00 0.00 175.22 175.41 3a4x s SER 551 N 0.57 4.52 -0.18 1.36 0.15 0.50 -1.38 113.70 119.23 3a4x s SER 551 Ca -0.09 -0.19 0.01 0.00 0.70 0.00 0.00 55.95 56.37 3a4x s SER 551 Cb -0.16 -1.01 0.03 0.00 -1.71 0.00 0.00 66.02 63.17 3a4x s SER 551 CO 0.04 0.27 -0.13 -0.36 1.20 0.00 0.00 173.24 174.26 3a4x s PHE 552 N -1.01 2.44 -0.22 3.44 0.40 -0.16 -0.64 117.98 122.23 3a4x s PHE 552 Ca 0.17 -1.52 -0.05 0.00 -0.60 0.00 0.00 56.93 54.93 3a4x s PHE 552 Cb -0.11 -1.68 -0.02 0.00 0.51 0.00 0.00 43.02 41.72 3a4x s PHE 552 CO 0.08 -0.74 -0.02 0.99 0.70 0.00 0.00 175.22 176.24 3a4x s THR 553 N 1.39 3.66 0.02 0.64 2.01 -0.06 -0.53 115.64 122.78 3a4x s THR 553 Ca 0.01 -0.40 -0.00 0.00 0.31 0.00 0.00 61.69 61.61 3a4x s THR 553 Cb -0.15 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 3a4x s THR 553 CO -0.10 0.41 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.46 3a4x s LEU 554 N 1.34 2.23 0.59 4.42 1.43 -1.01 -1.36 118.68 126.31 3a4x s LEU 554 Ca 0.04 -0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 52.46 3a4x s LEU 554 Cb -0.14 0.10 -0.04 0.00 0.03 0.00 0.00 46.19 46.14 3a4x s LEU 554 CO -0.00 -0.29 1.15 -2.65 0.23 0.00 0.00 176.35 174.78 3a4x n PRO 555 N 1.64 1.19 -4.04 1.29 -0.02 -1.26 -0.29 135.00 133.50 3a4x n PRO 555 Ca -0.24 0.45 -0.10 0.00 -2.02 0.00 0.00 63.50 61.59 3a4x n PRO 555 Cb 0.55 -2.35 -0.07 0.00 -0.02 0.00 0.00 33.50 31.61 3a4x n PRO 555 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3a4x s SER 556 N -1.16 0.04 -0.20 2.55 1.04 -1.21 -3.76 113.70 111.00 3a4x s SER 556 Ca 0.75 -1.03 -0.19 0.00 0.48 0.00 0.00 55.95 55.97 3a4x s SER 556 Cb -0.42 0.46 0.05 0.00 0.10 0.00 0.00 66.02 66.22 3a4x s SER 556 CO 0.47 -0.95 0.54 -0.62 0.98 0.00 0.00 173.24 173.66 3a4x s ASP 557 N -3.03 -0.57 0.00 7.02 -1.08 -0.37 -4.70 116.67 113.93 3a4x s ASP 557 Ca 0.24 1.10 0.13 0.00 -0.52 0.00 0.00 52.55 53.50 3a4x s ASP 557 Cb 0.03 1.11 0.57 0.00 -1.46 0.00 0.00 42.92 43.17 3a4x s ASP 557 CO 0.06 -0.19 1.41 -0.81 0.52 0.00 0.00 175.17 176.16 3a4x n PRO 558 N 2.84 0.03 0.05 4.34 -0.04 -1.26 -0.28 135.00 140.67 3a4x n PRO 558 Ca -0.14 0.26 0.12 0.00 -0.04 0.00 0.00 63.50 63.70 3a4x n PRO 558 Cb 0.56 -1.50 0.14 0.00 -0.04 0.00 0.00 33.50 32.67 3a4x n PRO 558 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3a4x n GLY 559 N -0.15 -1.36 0.00 0.55 0.00 -1.26 -4.58 105.19 98.39 3a4x n GLY 559 Ca 0.04 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3a4x n GLY 559 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3a4x n ILE 560 N -2.04 0.00 -0.54 -0.61 -5.35 -0.55 -5.13 119.36 105.15 3a4x n ILE 560 Ca 0.03 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.51 3a4x n ILE 560 Cb 0.43 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 3a4x n ILE 560 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3a4x n GLY 561 N 0.36 0.40 3.77 3.28 0.00 0.61 -4.80 105.19 108.82 3a4x n GLY 561 Ca 0.00 -0.85 -0.36 0.00 0.00 0.00 0.00 46.02 44.81 3a4x n GLY 561 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a4x s LEU 562 N 0.00 3.84 0.00 0.99 1.43 -1.26 -1.24 118.68 122.44 3a4x s LEU 562 Ca 0.00 2.23 0.00 0.00 -1.03 0.00 0.00 54.13 55.33 3a4x s LEU 562 Cb 0.00 -4.46 0.00 0.00 0.03 0.00 0.00 46.19 41.76 3a4x s LEU 562 CO 0.00 -1.13 0.00 0.00 0.23 0.00 0.00 176.35 175.45 3a4x n ALA 563 N -1.02 0.00 0.29 4.21 0.00 -1.25 -4.64 120.51 118.10 3a4x n ALA 563 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.68 3a4x n ALA 563 Cb 0.50 0.00 0.87 0.00 0.00 0.00 0.00 19.45 20.82 3a4x n ALA 563 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3a4x h GLY 564 N 0.00 0.00 0.79 0.00 0.00 -1.97 -0.70 103.07 101.19 3a4x h GLY 564 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.49 3a4x h GLY 564 CO 0.00 0.00 0.45 -1.33 0.00 0.00 0.00 176.54 175.66 3a4x h GLY 565 N 0.00 0.00 1.01 4.60 0.00 -1.89 -1.17 103.07 105.62 3a4x h GLY 565 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a4x h GLY 565 CO -0.00 0.00 0.52 -1.82 0.00 0.00 0.00 176.54 175.24 3a4x h TYR 566 N 0.00 1.08 -0.45 5.60 3.20 -1.38 -1.62 116.97 123.40 3a4x h TYR 566 Ca 0.26 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.16 3a4x h TYR 566 Cb 1.16 -0.36 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 3a4x h TYR 566 CO 0.00 0.71 0.30 0.78 -1.64 0.00 0.00 178.16 178.31 3a4x h GLY 567 N 1.14 0.58 0.87 1.82 0.00 -1.38 -0.31 103.07 105.79 3a4x h GLY 567 Ca 0.30 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 3a4x h GLY 567 CO -0.06 0.19 0.05 -2.22 0.00 0.00 0.00 176.54 174.49 3a4x h ILE 568 N 0.52 1.23 -0.47 2.60 2.04 -1.29 -1.32 117.51 120.82 3a4x h ILE 568 Ca 0.18 -0.77 -0.08 0.00 1.00 0.00 0.00 64.86 65.19 3a4x h ILE 568 Cb 0.06 1.22 -0.02 0.00 -0.74 0.00 0.00 36.82 37.35 3a4x h ILE 568 CO -0.04 0.25 -0.00 0.40 0.00 0.00 0.00 178.15 178.75 3a4x h ILE 569 N 0.26 1.26 -0.78 -0.67 1.08 -1.04 -0.78 117.51 116.83 3a4x h ILE 569 Ca 0.08 -1.06 0.10 0.00 -0.39 0.00 0.00 64.86 63.59 3a4x h ILE 569 Cb 0.33 1.02 -0.07 0.00 -3.07 0.00 0.00 36.82 35.02 3a4x h ILE 569 CO 0.00 0.37 0.42 -0.33 -0.69 0.00 0.00 178.15 177.93 3a4x h GLU 570 N 0.68 0.68 -0.22 2.37 5.08 -0.96 0.08 114.58 122.29 3a4x h GLU 570 Ca 0.13 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.42 3a4x h GLU 570 Cb 0.51 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3a4x h GLU 570 CO 0.02 0.45 0.02 1.15 -1.00 0.00 0.00 179.01 179.66 3a4x h THR 571 N 0.70 1.24 -0.45 1.13 2.02 -0.89 -1.76 112.91 114.89 3a4x h THR 571 Ca 0.39 -0.81 0.04 0.00 0.77 0.00 0.00 66.41 66.80 3a4x h THR 571 Cb 0.39 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 68.10 3a4x h THR 571 CO -0.27 0.25 0.20 0.24 0.37 0.00 0.00 175.52 176.32 3a4x h MET 572 N 0.16 0.40 -0.35 6.66 2.86 -0.54 -0.80 114.93 123.32 3a4x h MET 572 Ca 0.07 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3a4x h MET 572 Cb 0.35 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.91 3a4x h MET 572 CO 0.01 0.26 0.13 0.00 1.06 0.00 0.00 176.91 178.37 3a4x h ALA 573 N 1.26 0.45 -0.24 6.32 0.00 -0.87 -0.19 119.26 126.00 3a4x h ALA 573 Ca 0.20 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 3a4x h ALA 573 Cb 0.14 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3a4x h ALA 573 CO -0.17 0.06 -0.28 1.57 0.00 0.00 0.00 179.25 180.44 3a4x h LYS 574 N 0.41 0.46 0.00 0.00 5.09 -1.11 -2.83 116.57 118.60 3a4x h LYS 574 Ca 0.12 -0.18 0.00 0.00 0.09 0.00 0.00 60.65 60.67 3a4x h LYS 574 Cb 0.20 -0.02 0.00 0.00 0.10 0.00 0.00 32.23 32.50 3a4x h LYS 574 CO -0.01 0.70 0.00 0.87 -2.09 0.00 0.00 179.45 178.92 3a4x h LYS 575 N 0.40 0.00 0.00 0.07 1.79 -0.88 -3.47 116.57 114.49 3a4x h LYS 575 Ca 0.06 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.53 3a4x h LYS 575 Cb 0.70 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 3a4x h LYS 575 CO 0.05 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.83 3a4x n GLY 576 N 0.70 0.81 3.72 3.86 0.00 -0.67 -5.05 105.19 108.56 3a4x n GLY 576 Ca 0.03 -0.59 -0.40 0.00 0.00 0.00 0.00 46.02 45.06 3a4x n GLY 576 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a4x s VAL 577 N -2.00 5.02 0.34 1.61 1.01 -0.17 -5.00 120.40 121.21 3a4x s VAL 577 Ca 0.00 1.52 -0.29 0.00 0.00 0.00 0.00 61.98 63.22 3a4x s VAL 577 Cb 0.00 -4.08 -0.11 0.00 0.00 0.00 0.00 36.38 32.19 3a4x s VAL 577 CO 0.00 0.24 1.54 -2.11 0.00 0.00 0.00 175.10 174.77 3a4x n ARG 578 N 3.78 2.70 -3.88 2.72 1.85 -1.26 -4.44 116.66 118.13 3a4x n ARG 578 Ca -0.00 0.95 -0.30 0.00 -1.00 0.00 0.00 57.85 57.50 3a4x n ARG 578 Cb 0.51 -2.71 -0.14 0.00 -1.05 0.00 0.00 32.46 29.07 3a4x n ARG 578 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 3a4x s VAL 579 N -0.61 1.90 -0.07 8.89 1.01 -1.26 -4.65 120.40 125.62 3a4x s VAL 579 Ca 0.58 -2.44 0.13 0.00 0.00 0.00 0.00 61.98 60.25 3a4x s VAL 579 Cb -0.48 -2.37 -0.08 0.00 0.00 0.00 0.00 36.38 33.45 3a4x s VAL 579 CO 0.57 -0.72 1.20 0.44 0.00 0.00 0.00 175.10 176.59 3a4x h ASP 580 N 7.26 0.00 -3.49 3.32 3.32 -1.61 -3.47 116.42 121.76 3a4x h ASP 580 Ca -0.06 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 3a4x h ASP 580 Cb 0.97 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.27 3a4x h ASP 580 CO 0.54 0.69 -0.22 -0.60 -1.72 0.00 0.00 179.24 177.93 3a4x s ARG 581 N -2.86 0.48 -0.19 3.56 3.52 -1.11 -4.59 118.95 117.76 3a4x s ARG 581 Ca 0.01 0.76 0.01 0.00 -0.13 0.00 0.00 55.73 56.38 3a4x s ARG 581 Cb 0.08 0.11 0.03 0.00 -1.56 0.00 0.00 34.95 33.61 3a4x s ARG 581 CO 0.79 -0.12 -0.16 0.08 -0.81 0.00 0.00 175.30 175.08 3a4x s VAL 582 N 0.94 1.92 -0.63 7.11 1.01 0.72 -0.99 120.40 130.48 3a4x s VAL 582 Ca -0.06 -0.99 0.05 0.00 0.00 0.00 0.00 61.98 60.99 3a4x s VAL 582 Cb -0.06 -1.82 0.17 0.00 0.00 0.00 0.00 36.38 34.67 3a4x s VAL 582 CO -0.08 0.39 0.45 0.21 0.00 0.00 0.00 175.10 176.08 3a4x s ASN 583 N 1.32 3.88 0.37 3.32 2.47 0.31 -0.91 114.94 125.70 3a4x s ASN 583 Ca 0.02 -3.65 -0.28 0.00 0.42 0.00 0.00 52.86 49.37 3a4x s ASN 583 Cb -0.14 -1.30 -0.11 0.00 -1.45 0.00 0.00 41.25 38.25 3a4x s ASN 583 CO -0.11 -0.11 1.45 -2.16 -3.72 0.00 0.00 177.10 172.46 3a4x s PRO 584 N -1.05 4.16 -0.56 0.43 0.04 -1.20 -2.41 135.00 134.41 3a4x s PRO 584 Ca 0.27 2.50 -0.23 0.00 0.04 0.00 0.00 61.00 63.58 3a4x s PRO 584 Cb -0.02 -2.99 0.05 0.00 0.04 0.00 0.00 34.50 31.58 3a4x s PRO 584 CO -0.18 -0.46 0.90 -1.64 0.04 0.00 0.00 177.00 175.66 3a4x s MET 585 N -2.03 3.28 -1.25 4.56 -1.94 0.60 -1.83 119.30 120.68 3a4x s MET 585 Ca 0.52 -0.41 -0.10 0.00 -1.71 0.00 0.00 55.69 53.99 3a4x s MET 585 Cb -0.45 -4.08 0.18 0.00 2.01 0.00 0.00 34.83 32.49 3a4x s MET 585 CO 0.61 -1.48 1.75 0.25 -0.01 0.00 0.00 175.02 176.14 3a4x n THR 586 N 6.08 4.38 -3.44 2.05 -2.24 -0.12 -3.35 114.28 117.64 3a4x n THR 586 Ca -0.00 -4.56 -0.12 0.00 -2.27 0.00 0.00 64.05 57.10 3a4x n THR 586 Cb 0.47 -2.37 -0.02 0.00 -2.10 0.00 0.00 70.33 66.31 3a4x n THR 586 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a4x s MET 587 N 0.47 1.25 -1.29 -0.78 0.23 -1.26 -4.31 119.30 113.62 3a4x s MET 587 Ca 0.40 -0.44 -0.02 0.00 -1.03 0.00 0.00 55.69 54.60 3a4x s MET 587 Cb 0.06 0.58 0.01 0.00 -1.53 0.00 0.00 34.83 33.95 3a4x s MET 587 CO 0.01 -0.54 0.88 -0.25 -2.03 0.00 0.00 175.02 173.10 3a4x n ASP 588 N -0.29 -2.23 0.18 -1.18 8.00 -1.26 -4.81 116.55 114.95 3a4x n ASP 588 Ca -0.17 -0.71 0.07 0.00 0.71 0.00 0.00 54.79 54.68 3a4x n ASP 588 Cb 0.64 -4.56 0.16 0.00 -0.02 0.00 0.00 41.12 37.34 3a4x n ASP 588 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 3a4x h TYR 589 N -1.97 0.00 0.00 1.24 0.99 -1.88 -3.48 116.97 111.87 3a4x h TYR 589 Ca -0.60 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.13 3a4x h TYR 589 Cb 1.35 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.08 3a4x h TYR 589 CO 0.47 0.31 0.00 0.66 -0.00 0.00 0.00 178.16 179.60 3a4x n TYR 590 N -3.22 0.00 0.89 4.88 4.02 -1.26 -4.49 117.16 117.98 3a4x n TYR 590 Ca 0.02 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.02 3a4x n TYR 590 Cb 0.62 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 39.93 3a4x n TYR 590 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 176.86 173.18 3a4x n TRP 591 N 0.00 0.04 -3.69 -0.72 4.27 -1.26 -4.95 117.44 111.13 3a4x n TRP 591 Ca 0.00 0.01 -0.15 0.00 -3.89 0.00 0.00 57.50 53.48 3a4x n TRP 591 Cb 0.00 -0.15 -0.08 0.00 -1.36 0.00 0.00 31.31 29.72 3a4x n TRP 591 CO 0.00 0.00 0.00 -0.08 -2.29 0.00 0.00 177.69 175.32 3a4x s THR 592 N -3.05 0.03 0.52 -1.67 -1.32 -1.26 -5.16 115.64 103.73 3a4x s THR 592 Ca 0.07 -0.28 -0.19 0.00 -1.21 0.00 0.00 61.69 60.09 3a4x s THR 592 Cb 0.16 -0.72 -0.07 0.00 -1.51 0.00 0.00 72.50 70.36 3a4x s THR 592 CO 0.82 -0.15 1.05 -2.16 -2.21 0.00 0.00 174.62 171.96 3a4x s PRO 593 N -1.06 3.65 -1.06 7.08 0.04 -1.26 -4.40 135.00 137.98 3a4x s PRO 593 Ca -0.11 1.33 -0.22 0.00 0.04 0.00 0.00 61.00 62.03 3a4x s PRO 593 Cb -0.04 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.48 3a4x s PRO 593 CO 0.05 -0.56 1.49 -1.12 0.04 0.00 0.00 177.00 176.91 3a4x s SER 594 N -2.21 6.55 0.31 6.66 0.01 -1.26 -4.73 113.70 119.03 3a4x s SER 594 Ca 0.66 -1.60 0.02 0.00 1.31 0.00 0.00 55.95 56.34 3a4x s SER 594 Cb -0.17 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.49 3a4x s SER 594 CO 0.25 -1.46 0.07 -0.46 0.41 0.00 0.00 173.24 172.05 3a4x n ASN 595 N 8.82 1.71 -0.17 2.44 0.23 -1.26 -2.96 115.26 124.07 3a4x n ASN 595 Ca 0.35 -2.52 -0.09 0.00 -0.53 0.00 0.00 54.58 51.79 3a4x n ASN 595 Cb 0.50 0.57 0.00 0.00 -2.08 0.00 0.00 39.78 38.78 3a4x n ASN 595 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3a4x h ALA 596 N 1.38 0.64 -0.45 -2.53 0.00 -1.92 -2.33 119.26 114.05 3a4x h ALA 596 Ca -0.24 -0.24 0.05 0.00 0.00 0.00 0.00 54.91 54.48 3a4x h ALA 596 Cb 0.86 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 3a4x h ALA 596 CO 0.39 0.38 0.18 1.49 0.00 0.00 0.00 179.25 181.70 3a4x h GLU 597 N 0.67 0.36 -0.14 0.00 4.81 -1.95 -0.50 114.58 117.83 3a4x h GLU 597 Ca 0.14 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.21 3a4x h GLU 597 Cb 0.41 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 3a4x h GLU 597 CO 0.01 0.24 -0.51 -0.91 -0.73 0.00 0.00 179.01 177.10 3a4x h ASN 598 N 0.37 0.43 -0.69 1.04 2.35 -1.84 -1.59 115.58 115.65 3a4x h ASN 598 Ca 0.21 -0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 3a4x h ASN 598 Cb 0.18 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 3a4x h ASN 598 CO -0.19 0.87 0.31 0.00 -1.65 0.00 0.00 177.43 176.77 3a4x h ALA 599 N 1.15 1.22 -0.46 -0.83 0.00 -0.85 -0.61 119.26 118.88 3a4x h ALA 599 Ca 0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3a4x h ALA 599 Cb 1.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3a4x h ALA 599 CO 0.09 0.59 -0.16 0.82 0.00 0.00 0.00 179.25 180.58 3a4x h ILE 600 N 1.01 1.27 -0.64 0.00 2.04 -0.86 -0.56 117.51 119.77 3a4x h ILE 600 Ca 0.24 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.81 3a4x h ILE 600 Cb 0.14 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 3a4x h ILE 600 CO -0.03 0.45 0.42 0.11 0.00 0.00 0.00 178.15 179.10 3a4x h LYS 601 N 0.75 0.82 -0.45 2.37 1.57 -1.03 -0.96 116.57 119.64 3a4x h LYS 601 Ca 0.11 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.88 3a4x h LYS 601 Cb 0.72 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 3a4x h LYS 601 CO 0.05 0.54 0.20 0.28 -0.57 0.00 0.00 179.45 179.96 3a4x h VAL 602 N 0.85 0.93 -0.78 0.50 2.07 -0.87 -1.27 116.25 117.67 3a4x h VAL 602 Ca 0.24 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.64 3a4x h VAL 602 Cb -0.07 0.49 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 3a4x h VAL 602 CO -0.07 0.07 0.51 0.00 0.02 0.00 0.00 177.57 178.11 3a4x h ALA 603 N 1.26 1.02 -0.46 1.67 0.00 -0.44 0.72 119.26 123.02 3a4x h ALA 603 Ca 0.20 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 3a4x h ALA 603 Cb 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3a4x h ALA 603 CO -0.16 0.35 -0.10 0.93 0.00 0.00 0.00 179.25 180.27 3a4x h GLU 604 N 1.01 0.88 -0.55 0.00 5.08 -0.90 -0.04 114.58 120.07 3a4x h GLU 604 Ca 0.30 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3a4x h GLU 604 Cb -0.05 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.12 3a4x h GLU 604 CO -0.09 0.97 0.20 -0.91 -1.00 0.00 0.00 179.01 178.19 3a4x h ASN 605 N 0.73 0.77 -0.56 1.42 2.35 -0.75 -2.38 115.58 117.16 3a4x h ASN 605 Ca 0.12 -0.18 -0.08 0.00 -0.55 0.00 0.00 56.30 55.61 3a4x h ASN 605 Cb 0.64 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 3a4x h ASN 605 CO 0.04 0.74 0.05 0.58 -1.65 0.00 0.00 177.43 177.19 3a4x h VAL 606 N 0.75 1.26 -0.26 2.81 2.07 -0.74 -0.66 116.25 121.46 3a4x h VAL 606 Ca 0.18 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.71 3a4x h VAL 606 Cb 0.23 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3a4x h VAL 606 CO -0.01 0.39 -0.16 0.15 0.02 0.00 0.00 177.57 177.95 3a4x h PHE 607 N 0.92 -0.40 -0.73 1.57 3.57 -0.83 0.82 116.94 121.87 3a4x h PHE 607 Ca 0.18 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.68 3a4x h PHE 607 Cb 0.47 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 3a4x h PHE 607 CO 0.03 -0.23 0.34 -0.09 -2.23 0.00 0.00 178.31 176.13 3a4x h ARG 608 N -0.14 1.05 -0.57 1.11 2.43 -1.13 -1.24 114.38 115.90 3a4x h ARG 608 Ca 0.14 -0.16 0.03 0.00 -0.81 0.00 0.00 59.98 59.18 3a4x h ARG 608 Cb 0.35 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 3a4x h ARG 608 CO -0.35 0.83 0.34 1.96 -1.51 0.00 0.00 179.97 181.24 3a4x h GLN 609 N 1.02 0.66 -0.07 0.20 4.20 -0.57 -2.19 115.11 118.37 3a4x h GLN 609 Ca 0.25 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.76 3a4x h GLN 609 Cb 0.13 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 3a4x h GLN 609 CO -0.03 0.44 -0.67 -0.07 -0.67 0.00 0.00 178.83 177.82 3a4x h LEU 610 N 0.68 0.33 -1.38 1.46 3.38 -0.55 -2.61 115.31 116.62 3a4x h LEU 610 Ca 0.23 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3a4x h LEU 610 Cb 0.02 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3a4x h LEU 610 CO -0.10 0.91 0.40 0.11 0.09 0.00 0.00 178.44 179.84 3a4x h LYS 611 N 0.20 0.81 -0.58 1.13 1.79 -1.07 0.25 116.57 119.10 3a4x h LYS 611 Ca -0.02 -0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.32 3a4x h LYS 611 Cb 1.21 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.66 3a4x h LYS 611 CO 0.11 0.55 0.05 1.96 -1.08 0.00 0.00 179.45 181.04 3a4x h GLN 612 N 0.83 0.96 -0.03 3.15 1.08 -1.04 -2.16 115.11 117.91 3a4x h GLN 612 Ca 0.22 -0.26 -0.22 0.00 -1.45 0.00 0.00 58.65 56.95 3a4x h GLN 612 Cb -0.08 -0.11 0.02 0.00 -0.05 0.00 0.00 27.48 27.25 3a4x h GLN 612 CO -0.05 0.92 -0.83 0.82 -0.95 0.00 0.00 178.83 178.74 3a4x h ILE 613 N 0.90 1.33 -2.17 2.54 2.04 -1.10 -3.39 117.51 117.66 3a4x h ILE 613 Ca 0.18 -2.12 -0.59 0.00 1.00 0.00 0.00 64.86 63.33 3a4x h ILE 613 Cb 0.45 2.36 -0.42 0.00 -0.74 0.00 0.00 36.82 38.48 3a4x h ILE 613 CO 0.02 0.65 -0.68 -1.22 0.00 0.00 0.00 178.15 176.91 3a4x n TYR 614 N -4.00 3.06 0.32 1.37 4.02 0.84 -4.93 117.16 117.84 3a4x n TYR 614 Ca -0.10 -4.06 0.15 0.00 -0.01 0.00 0.00 57.90 53.88 3a4x n TYR 614 Cb 0.78 -0.52 0.64 0.00 -0.02 0.00 0.00 39.34 40.22 3a4x n TYR 614 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 3a4x h PRO 615 N 4.05 0.00 0.00 -0.72 0.13 -1.59 -1.85 132.00 132.01 3a4x h PRO 615 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3a4x h PRO 615 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3a4x h PRO 615 CO 0.78 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.70 3a4x n GLU 616 N -2.58 0.25 -2.74 0.86 0.00 -1.26 -4.84 120.64 110.33 3a4x n GLU 616 Ca 0.01 0.25 -0.38 0.00 0.00 0.00 0.00 57.16 57.03 3a4x n GLU 616 Cb 0.20 -1.82 -0.06 0.00 0.00 0.00 0.00 31.44 29.76 3a4x n GLU 616 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 3a4x s LYS 617 N -3.13 4.67 0.88 3.44 1.02 -0.70 -5.04 119.74 120.87 3a4x s LYS 617 Ca 0.10 1.42 -0.12 0.00 0.02 0.00 0.00 55.97 57.39 3a4x s LYS 617 Cb 0.12 -2.98 0.12 0.00 -0.52 0.00 0.00 37.83 34.57 3a4x s LYS 617 CO 0.57 0.34 1.10 -1.54 -0.92 0.00 0.00 175.35 174.90 3a4x s SER 618 N -1.42 3.68 0.26 2.83 1.04 -1.26 -4.83 113.70 114.00 3a4x s SER 618 Ca 0.47 1.40 -0.02 0.00 0.48 0.00 0.00 55.95 58.28 3a4x s SER 618 Cb -0.22 -2.09 0.44 0.00 0.10 0.00 0.00 66.02 64.25 3a4x s SER 618 CO 0.28 -2.49 1.82 0.44 0.98 0.00 0.00 173.24 174.27 3a4x h ASP 619 N -1.45 0.78 -0.01 7.02 3.32 -1.99 -1.01 116.42 123.08 3a4x h ASP 619 Ca -0.49 0.04 -0.16 0.00 0.02 0.00 0.00 57.03 56.45 3a4x h ASP 619 Cb 1.28 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 40.72 3a4x h ASP 619 CO 0.56 0.44 -0.52 -0.33 -1.72 0.00 0.00 179.24 177.68 3a4x h GLU 620 N 0.89 0.59 -0.84 3.56 3.07 -1.96 -0.89 114.58 118.98 3a4x h GLU 620 Ca 0.43 -0.35 -0.02 0.00 -0.50 0.00 0.00 59.36 58.92 3a4x h GLU 620 Cb 0.38 0.03 -0.04 0.00 -0.84 0.00 0.00 28.75 28.29 3a4x h GLU 620 CO -0.25 0.96 0.45 0.93 -1.40 0.00 0.00 179.01 179.71 3a4x h GLU 621 N 0.46 1.18 -0.11 2.33 5.08 -1.76 -1.07 114.58 120.68 3a4x h GLU 621 Ca 0.02 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.21 3a4x h GLU 621 Cb 1.06 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 3a4x h GLU 621 CO 0.10 0.87 -0.01 0.82 -1.00 0.00 0.00 179.01 179.80 3a4x h ILE 622 N 1.18 1.27 -0.62 3.13 1.08 -0.89 -2.73 117.51 119.93 3a4x h ILE 622 Ca 0.30 -0.86 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 3a4x h ILE 622 Cb 0.04 1.62 -0.03 0.00 -3.07 0.00 0.00 36.82 35.38 3a4x h ILE 622 CO -0.05 0.25 0.40 -0.50 -0.69 0.00 0.00 178.15 177.56 3a4x h TRP 623 N -0.09 0.78 -0.21 1.37 -0.00 -1.06 -2.03 115.95 114.71 3a4x h TRP 623 Ca 0.03 0.01 -0.04 0.00 -0.00 0.00 0.00 58.89 58.90 3a4x h TRP 623 Cb 0.38 -0.26 -0.01 0.00 -0.00 0.00 0.00 29.16 29.27 3a4x h TRP 623 CO 0.04 0.50 -0.04 -0.22 -0.00 0.00 0.00 178.44 178.72 3a4x h LYS 624 N 0.84 0.32 0.00 0.49 1.63 -1.10 -1.71 116.57 117.04 3a4x h LYS 624 Ca 0.23 -0.06 -0.02 0.00 -0.85 0.00 0.00 60.65 59.94 3a4x h LYS 624 Cb -0.08 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.50 3a4x h LYS 624 CO -0.05 0.38 -0.11 0.52 -3.45 0.00 0.00 179.45 176.74 3a4x h MET 625 N 0.31 0.00 -5.96 1.90 2.86 -1.05 -3.24 114.93 109.74 3a4x h MET 625 Ca 0.07 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 57.13 3a4x h MET 625 Cb 0.28 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 31.88 3a4x h MET 625 CO 0.01 0.11 -0.10 0.42 1.06 0.00 0.00 176.91 178.40 3a4x s ILE 626 N -3.73 5.02 0.24 -1.22 1.01 -0.70 -0.20 121.20 121.62 3a4x s ILE 626 Ca 0.00 1.04 0.10 0.00 0.00 0.00 0.00 60.65 61.79 3a4x s ILE 626 Cb 0.10 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 3a4x s ILE 626 CO 0.58 0.44 -0.17 -0.83 0.00 0.00 0.00 174.94 174.96 3a4x s GLY 627 N -0.21 1.66 -0.02 6.18 0.00 -0.08 -1.65 107.32 113.20 3a4x s GLY 627 Ca 0.27 -1.78 0.04 0.00 0.00 0.00 0.00 44.72 43.26 3a4x s GLY 627 CO 0.14 -1.86 -0.14 1.08 0.00 0.00 0.00 173.10 172.31 3a4x s LEU 628 N -3.42 1.97 -0.34 0.66 1.43 -1.08 -3.22 118.68 114.69 3a4x s LEU 628 Ca 0.26 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3a4x s LEU 628 Cb -0.03 -0.77 0.11 0.00 0.03 0.00 0.00 46.19 45.54 3a4x s LEU 628 CO 0.11 0.16 0.12 -0.89 0.23 0.00 0.00 176.35 176.08 3a4x s THR 629 N -0.19 1.12 0.75 5.49 2.01 -0.76 -1.79 115.64 122.27 3a4x s THR 629 Ca 0.03 -1.72 -0.10 0.00 0.31 0.00 0.00 61.69 60.20 3a4x s THR 629 Cb -0.07 -1.83 0.06 0.00 0.01 0.00 0.00 72.50 70.66 3a4x s THR 629 CO 0.00 -0.71 1.11 -2.84 -0.69 0.00 0.00 174.62 171.49 3a4x s PRO 630 N 1.30 2.28 -0.27 4.92 0.02 -1.24 -0.94 135.00 141.07 3a4x s PRO 630 Ca 0.11 0.12 -0.10 0.00 0.02 0.00 0.00 61.00 61.16 3a4x s PRO 630 Cb -0.19 -2.03 -0.04 0.00 0.02 0.00 0.00 34.50 32.26 3a4x s PRO 630 CO -0.18 -1.34 0.16 1.41 -0.33 0.00 0.00 177.00 176.72 3a4x s MET 631 N -5.43 3.88 0.41 5.54 1.75 -1.26 -1.00 119.30 123.19 3a4x s MET 631 Ca 0.60 -0.36 -0.24 0.00 -1.25 0.00 0.00 55.69 54.45 3a4x s MET 631 Cb -0.11 -3.58 -0.09 0.00 2.84 0.00 0.00 34.83 33.90 3a4x s MET 631 CO 0.49 -0.18 1.08 0.96 -0.65 0.00 0.00 175.02 176.72 3a4x s ILE 632 N 1.71 3.57 0.00 10.11 -4.36 -0.68 -4.46 121.20 127.09 3a4x s ILE 632 Ca 0.07 1.21 0.00 0.00 -0.26 0.00 0.00 60.65 61.67 3a4x s ILE 632 Cb -0.16 -3.63 0.00 0.00 1.25 0.00 0.00 42.46 39.93 3a4x s ILE 632 CO 0.09 0.01 0.00 0.61 0.24 0.00 0.00 174.94 175.89 3a4x n GLY 633 N 0.38 3.07 3.73 6.27 0.00 -0.00 -4.69 105.19 113.95 3a4x n GLY 633 Ca 0.05 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 3a4x n GLY 633 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a4x s VAL 634 N 0.00 2.93 0.48 1.61 0.11 -0.13 -0.77 120.40 124.63 3a4x s VAL 634 Ca 0.00 0.72 0.04 0.00 -2.93 0.00 0.00 61.98 59.81 3a4x s VAL 634 Cb 0.00 -3.46 0.02 0.00 -1.53 0.00 0.00 36.38 31.41 3a4x s VAL 634 CO 0.00 0.08 0.67 0.20 -3.33 0.00 0.00 175.10 172.73 3a4x s ASN 635 N 0.73 5.51 0.55 3.54 -0.87 0.51 -4.93 114.94 119.98 3a4x s ASN 635 Ca 0.63 -0.13 0.22 0.00 -1.57 0.00 0.00 52.86 52.00 3a4x s ASN 635 Cb -0.40 -0.89 1.49 0.00 -0.02 0.00 0.00 41.25 41.43 3a4x s ASN 635 CO 0.36 -0.92 2.19 0.44 -2.57 0.00 0.00 177.10 176.60 3a4x h ASP 636 N 0.36 0.00 -0.10 -1.22 3.32 -1.95 0.07 116.42 116.90 3a4x h ASP 636 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3a4x h ASP 636 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3a4x h ASP 636 CO 0.50 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.13 3a4x n ASP 637 N -4.25 1.03 0.00 6.45 5.68 -1.26 -4.92 116.55 119.27 3a4x n ASP 637 Ca -0.03 -1.59 0.00 0.00 -0.50 0.00 0.00 54.79 52.67 3a4x n ASP 637 Cb 0.09 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 3a4x n ASP 637 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3a4x n LYS 638 N -0.11 0.00 -1.30 0.11 5.02 0.01 -4.97 118.16 116.93 3a4x n LYS 638 Ca 0.15 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.14 3a4x n LYS 638 Cb 0.23 -2.46 0.11 0.00 -0.02 0.00 0.00 35.03 32.89 3a4x n LYS 638 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 3a4x s SER 639 N -3.09 3.99 -0.12 4.39 1.04 -1.26 -4.74 113.70 113.91 3a4x s SER 639 Ca 0.00 1.53 -0.00 0.00 0.48 0.00 0.00 55.95 57.96 3a4x s SER 639 Cb 0.00 -2.23 0.02 0.00 0.10 0.00 0.00 66.02 63.91 3a4x s SER 639 CO 0.00 -2.32 -0.10 -0.69 0.98 0.00 0.00 173.24 171.11 3a4x s VAL 640 N -2.98 1.21 -0.62 5.02 1.01 -1.26 -0.37 120.40 122.42 3a4x s VAL 640 Ca 0.62 -0.41 -0.24 0.00 0.00 0.00 0.00 61.98 61.95 3a4x s VAL 640 Cb -0.17 -1.19 0.05 0.00 0.00 0.00 0.00 36.38 35.07 3a4x s VAL 640 CO 0.56 0.40 1.02 0.12 0.00 0.00 0.00 175.10 177.20 3a4x s PHE 641 N 1.58 2.66 0.72 5.22 5.36 0.05 -4.72 117.98 128.85 3a4x s PHE 641 Ca 0.04 -0.16 -0.07 0.00 -0.96 0.00 0.00 56.93 55.77 3a4x s PHE 641 Cb -0.13 -4.26 0.06 0.00 -0.34 0.00 0.00 43.02 38.35 3a4x s PHE 641 CO -0.08 -1.58 1.04 0.95 -1.46 0.00 0.00 175.22 174.09 3a4x s THR 642 N 4.33 2.23 0.43 0.12 -4.23 -1.26 -0.82 115.64 116.44 3a4x s THR 642 Ca 0.29 -0.23 0.10 0.00 -1.18 0.00 0.00 61.69 60.67 3a4x s THR 642 Cb -0.13 -3.00 0.23 0.00 1.34 0.00 0.00 72.50 70.95 3a4x s THR 642 CO 0.16 0.00 2.04 0.25 -0.54 0.00 0.00 174.62 176.53 3a4x h LEU 643 N -0.67 0.28 -0.52 4.79 5.85 -1.99 -0.33 115.31 122.73 3a4x h LEU 643 Ca -0.45 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.19 3a4x h LEU 643 Cb 1.32 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 3a4x h LEU 643 CO 0.61 0.27 0.08 -0.08 -0.34 0.00 0.00 178.44 178.98 3a4x h GLU 644 N 0.32 0.85 -0.67 1.25 4.81 -1.99 -1.30 114.58 117.85 3a4x h GLU 644 Ca 0.08 -0.23 0.03 0.00 -0.13 0.00 0.00 59.36 59.11 3a4x h GLU 644 Cb 0.09 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 3a4x h GLU 644 CO -0.01 0.84 0.41 -0.44 -0.73 0.00 0.00 179.01 179.08 3a4x h ASP 645 N 0.73 0.66 -0.41 1.04 3.32 -1.70 -0.85 116.42 119.21 3a4x h ASP 645 Ca 0.16 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.23 3a4x h ASP 645 Cb 0.40 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 3a4x h ASP 645 CO 0.01 0.46 0.24 0.00 -1.72 0.00 0.00 179.24 178.22 3a4x h ALA 646 N 1.29 0.52 -0.34 3.45 0.00 -0.74 -0.05 119.26 123.40 3a4x h ALA 646 Ca 0.27 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3a4x h ALA 646 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3a4x h ALA 646 CO -0.12 -0.09 0.05 0.37 0.00 0.00 0.00 179.25 179.46 3a4x h GLN 647 N 0.48 0.56 -0.76 0.00 5.75 -0.93 -1.01 115.11 119.20 3a4x h GLN 647 Ca 0.17 -0.15 0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3a4x h GLN 647 Cb 0.02 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 28.46 3a4x h GLN 647 CO -0.08 0.65 0.50 0.37 -2.65 0.00 0.00 178.83 177.61 3a4x h GLN 648 N 0.39 0.97 -0.33 1.69 4.15 -0.94 -0.90 115.11 120.15 3a4x h GLN 648 Ca 0.10 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.38 3a4x h GLN 648 Cb 0.36 -0.22 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3a4x h GLN 648 CO 0.01 0.64 -0.12 1.25 -1.93 0.00 0.00 178.83 178.67 3a4x h LEU 649 N 0.99 0.67 -0.52 -2.39 5.85 -0.84 -1.11 115.31 117.96 3a4x h LEU 649 Ca 0.29 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.67 3a4x h LEU 649 Cb -0.07 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.73 3a4x h LEU 649 CO -0.08 0.91 0.26 0.58 -0.34 0.00 0.00 178.44 179.77 3a4x h VAL 650 N 0.43 0.94 -0.66 1.05 2.07 -1.03 0.15 116.25 119.20 3a4x h VAL 650 Ca 0.08 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.35 3a4x h VAL 650 Cb 0.64 0.40 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3a4x h VAL 650 CO 0.04 0.09 0.11 0.44 0.02 0.00 0.00 177.57 178.27 3a4x h ASP 651 N 0.50 1.04 -0.53 0.57 3.32 -0.97 -0.16 116.42 120.20 3a4x h ASP 651 Ca 0.23 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 57.02 3a4x h ASP 651 Cb 0.16 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3a4x h ASP 651 CO -0.17 1.04 0.29 -0.25 -1.72 0.00 0.00 179.24 178.42 3a4x h TRP 652 N 1.01 0.72 -0.64 4.55 7.01 -0.84 -1.72 115.95 126.04 3a4x h TRP 652 Ca 0.20 -0.02 -0.06 0.00 2.11 0.00 0.00 58.89 61.12 3a4x h TRP 652 Cb 0.43 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.24 3a4x h TRP 652 CO 0.03 0.53 0.15 0.00 -2.79 0.00 0.00 178.44 176.36 3a4x h ALA 653 N 1.13 1.07 -0.28 2.65 0.00 -0.21 -1.10 119.26 122.51 3a4x h ALA 653 Ca 0.19 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3a4x h ALA 653 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3a4x h ALA 653 CO -0.03 0.62 0.05 0.82 0.00 0.00 0.00 179.25 180.71 3a4x h ILE 654 N 0.95 1.23 -0.81 0.00 2.04 -0.93 -1.76 117.51 118.23 3a4x h ILE 654 Ca 0.20 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.29 3a4x h ILE 654 Cb 0.34 1.20 -0.04 0.00 -0.74 0.00 0.00 36.82 37.58 3a4x h ILE 654 CO 0.00 0.25 0.49 -0.61 0.00 0.00 0.00 178.15 178.28 3a4x h GLN 655 N 0.28 1.10 -0.02 2.37 4.15 -0.92 -2.34 115.11 119.74 3a4x h GLN 655 Ca 0.09 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.41 3a4x h GLN 655 Cb 0.32 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.78 3a4x h GLN 655 CO 0.00 0.77 -0.01 0.72 -1.93 0.00 0.00 178.83 178.38 3a4x n HIS 656 N -4.38 0.00 -3.95 3.99 8.25 -0.45 -4.95 115.22 113.73 3a4x n HIS 656 Ca 0.09 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.26 3a4x n HIS 656 Cb 0.06 -0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.17 3a4x n HIS 656 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3a4x n LYS 657 N 0.21 -4.51 -1.30 -0.41 5.02 -0.69 -4.89 118.16 111.61 3a4x n LYS 657 Ca 0.18 0.52 -0.30 0.00 -2.02 0.00 0.00 58.31 56.69 3a4x n LYS 657 Cb 0.37 -5.17 0.10 0.00 -0.02 0.00 0.00 35.03 30.31 3a4x n LYS 657 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3a4x s ILE 658 N -3.49 3.14 0.18 -0.18 -4.36 -1.07 -4.32 121.20 111.11 3a4x s ILE 658 Ca 0.43 0.37 -0.09 0.00 -0.26 0.00 0.00 60.65 61.10 3a4x s ILE 658 Cb -0.22 -2.90 0.08 0.00 1.25 0.00 0.00 42.46 40.67 3a4x s ILE 658 CO 0.86 -0.48 1.67 1.23 0.24 0.00 0.00 174.94 178.46 3a4x h GLY 659 N -1.23 1.16 -2.97 6.27 0.00 -0.67 -3.45 103.07 102.17 3a4x h GLY 659 Ca -0.46 -0.78 0.05 0.00 0.00 0.00 0.00 47.33 46.14 3a4x h GLY 659 CO 0.54 0.73 0.33 -1.35 0.00 0.00 0.00 176.54 176.78 3a4x s SER 660 N -6.47 -0.44 0.15 0.19 1.04 -1.15 -1.98 113.70 105.05 3a4x s SER 660 Ca -0.12 -0.09 0.06 0.00 0.48 0.00 0.00 55.95 56.28 3a4x s SER 660 Cb 0.14 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.75 3a4x s SER 660 CO 0.85 -0.88 -0.14 -0.76 0.98 0.00 0.00 173.24 173.28 3a4x s LEU 661 N -2.69 2.47 0.29 2.42 1.43 -0.41 -2.63 118.68 119.56 3a4x s LEU 661 Ca 0.04 -0.91 -0.11 0.00 -1.03 0.00 0.00 54.13 52.13 3a4x s LEU 661 Cb -0.02 -0.58 0.01 0.00 0.03 0.00 0.00 46.19 45.63 3a4x s LEU 661 CO -0.08 -0.17 0.53 0.00 0.23 0.00 0.00 176.35 176.85 3a4x s ALA 662 N -2.55 -0.05 0.13 4.21 0.00 -0.74 -2.15 121.76 120.61 3a4x s ALA 662 Ca 0.15 -1.03 -0.12 0.00 0.00 0.00 0.00 51.96 50.96 3a4x s ALA 662 Cb -0.03 1.03 0.01 0.00 0.00 0.00 0.00 23.12 24.14 3a4x s ALA 662 CO 0.04 -0.86 0.32 -0.59 0.00 0.00 0.00 175.76 174.67 3a4x s PHE 663 N -3.50 0.04 -0.40 0.00 -0.12 -1.26 -3.62 117.98 109.11 3a4x s PHE 663 Ca 0.23 -0.40 -0.12 0.00 -0.05 0.00 0.00 56.93 56.59 3a4x s PHE 663 Cb -0.01 0.11 0.04 0.00 -0.63 0.00 0.00 43.02 42.53 3a4x s PHE 663 CO 0.12 -0.68 0.26 -0.46 -0.05 0.00 0.00 175.22 174.41 3a4x s TRP 664 N -3.86 3.26 0.28 3.49 -0.11 -0.17 -1.55 118.94 120.27 3a4x s TRP 664 Ca 0.07 -1.00 -0.16 0.00 1.22 0.00 0.00 56.10 56.22 3a4x s TRP 664 Cb 0.03 -2.65 0.01 0.00 -1.50 0.00 0.00 33.47 29.36 3a4x s TRP 664 CO -0.08 -0.70 0.62 -1.54 -4.62 0.00 0.00 176.95 170.63 3a4x s SER 665 N 1.81 -0.10 0.15 5.86 1.04 -1.26 -1.69 113.70 119.52 3a4x s SER 665 Ca 0.03 -0.84 -0.16 0.00 0.48 0.00 0.00 55.95 55.46 3a4x s SER 665 Cb -0.21 0.69 0.05 0.00 0.10 0.00 0.00 66.02 66.65 3a4x s SER 665 CO 0.06 -1.31 1.77 0.58 0.98 0.00 0.00 173.24 175.33 3a4x h VAL 666 N 2.10 0.97 0.00 5.02 2.07 -0.99 -2.33 116.25 123.10 3a4x h VAL 666 Ca -0.24 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3a4x h VAL 666 Cb 1.25 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3a4x h VAL 666 CO 0.31 0.07 0.00 0.47 0.02 0.00 0.00 177.57 178.43 3a4x n ASP 667 N -4.94 0.00 -0.28 0.57 8.00 -1.26 -1.86 116.55 116.77 3a4x n ASP 667 Ca 0.01 0.34 0.14 0.00 0.71 0.00 0.00 54.79 55.98 3a4x n ASP 667 Cb 0.09 -0.44 0.49 0.00 -0.02 0.00 0.00 41.12 41.25 3a4x n ASP 667 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3a4x n ARG 668 N -1.44 1.07 -1.42 -1.24 1.74 -0.88 -3.59 116.66 110.90 3a4x n ARG 668 Ca 0.07 -0.57 -0.36 0.00 -0.77 0.00 0.00 57.85 56.22 3a4x n ARG 668 Cb 0.23 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.15 3a4x n ARG 668 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3a4x n ASP 669 N -0.47 8.26 -3.89 0.55 2.03 -0.78 -1.64 116.55 120.61 3a4x n ASP 669 Ca 0.15 -2.69 -0.11 0.00 0.52 0.00 0.00 54.79 52.66 3a4x n ASP 669 Cb 0.33 -1.50 -0.11 0.00 -0.72 0.00 0.00 41.12 39.12 3a4x n ASP 669 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 3a4x s HIS 670 N 1.31 0.06 0.69 -0.67 3.76 -1.26 -1.12 115.29 118.05 3a4x s HIS 670 Ca 0.66 -0.14 -0.15 0.00 -0.15 0.00 0.00 55.06 55.28 3a4x s HIS 670 Cb 0.20 -0.07 0.02 0.00 1.11 0.00 0.00 32.58 33.84 3a4x s HIS 670 CO -0.07 -0.21 1.15 -1.25 -0.85 0.00 0.00 174.74 173.51 3a4x s PRO 671 N -1.08 2.52 0.28 8.40 0.04 -1.19 -1.81 135.00 142.16 3a4x s PRO 671 Ca -0.12 1.54 -0.16 0.00 0.04 0.00 0.00 61.00 62.30 3a4x s PRO 671 Cb -0.07 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.58 3a4x s PRO 671 CO 0.01 -1.50 0.61 0.20 0.04 0.00 0.00 177.00 176.36 3a4x s GLY 672 N -2.35 0.31 0.20 0.56 0.00 -0.66 -4.70 107.32 100.68 3a4x s GLY 672 Ca 0.70 -0.66 -0.32 0.00 0.00 0.00 0.00 44.72 44.44 3a4x s GLY 672 CO 0.43 -0.39 1.22 -1.05 0.00 0.00 0.00 173.10 173.31 3a4x n PRO 673 N -0.44 1.43 -1.67 2.90 -0.02 -1.26 -3.80 135.00 132.14 3a4x n PRO 673 Ca -0.03 0.51 -0.48 0.00 -2.02 0.00 0.00 63.50 61.48 3a4x n PRO 673 Cb 0.60 -2.04 -0.05 0.00 -0.02 0.00 0.00 33.50 32.00 3a4x n PRO 673 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3a4x n THR 674 N 1.47 0.21 -0.93 3.45 -1.04 -1.26 -2.30 114.28 113.89 3a4x n THR 674 Ca 0.13 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 3a4x n THR 674 Cb 0.27 -1.56 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 3a4x n THR 674 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3a4x n GLY 675 N 3.70 0.57 3.71 3.41 0.00 -0.55 -5.00 105.19 111.02 3a4x n GLY 675 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 3a4x n GLY 675 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3a4x s GLU 676 N -0.39 4.47 -0.15 1.61 2.12 -0.97 -5.00 118.70 120.39 3a4x s GLU 676 Ca 0.00 1.02 -0.20 0.00 0.36 0.00 0.00 54.97 56.14 3a4x s GLU 676 Cb 0.00 -3.45 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 3a4x s GLU 676 CO 0.00 0.04 0.58 0.08 -0.54 0.00 0.00 175.26 175.42 3a4x s VAL 677 N 0.85 5.08 -0.02 3.70 1.01 -1.26 -3.86 120.40 125.90 3a4x s VAL 677 Ca 0.41 1.14 -0.22 0.00 0.00 0.00 0.00 61.98 63.30 3a4x s VAL 677 Cb -0.19 -3.91 0.05 0.00 0.00 0.00 0.00 36.38 32.33 3a4x s VAL 677 CO 0.21 0.20 0.49 -0.55 0.00 0.00 0.00 175.10 175.45 3a4x s SER 678 N 0.96 -0.41 0.00 3.32 0.15 -1.26 -5.03 113.70 111.44 3a4x s SER 678 Ca 0.29 0.33 0.29 0.00 0.70 0.00 0.00 55.95 57.56 3a4x s SER 678 Cb -0.16 0.43 1.57 0.00 -1.71 0.00 0.00 66.02 66.15 3a4x s SER 678 CO 0.12 -0.56 2.02 -2.65 1.20 0.00 0.00 173.24 173.36 3a4x n PRO 679 N 0.96 0.64 0.00 5.44 -0.02 -1.26 -3.98 135.00 136.78 3a4x n PRO 679 Ca -0.20 0.01 0.03 0.00 -2.02 0.00 0.00 63.50 61.33 3a4x n PRO 679 Cb 0.57 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.54 3a4x n PRO 679 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3a4x n LEU 680 N -1.16 0.81 -3.82 2.45 4.77 -1.26 -3.67 117.00 115.12 3a4x n LEU 680 Ca 0.17 -0.70 -0.06 0.00 -0.03 0.00 0.00 56.01 55.40 3a4x n LEU 680 Cb 0.17 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3a4x n LEU 680 CO 0.19 0.17 0.59 -1.38 -1.33 0.00 0.00 177.39 175.63 3a4x s HIS 681 N -1.21 -0.05 -0.45 -1.77 -3.43 -1.24 -4.55 115.29 102.59 3a4x s HIS 681 Ca 0.05 -0.43 0.05 0.00 -0.80 0.00 0.00 55.06 53.93 3a4x s HIS 681 Cb 0.05 0.73 0.13 0.00 -1.43 0.00 0.00 32.58 32.06 3a4x s HIS 681 CO 0.20 -1.21 1.06 2.89 -2.00 0.00 0.00 174.74 175.68 3a4x n ARG 682 N -0.51 2.53 -1.71 -0.38 1.85 -0.65 -4.22 116.66 113.56 3a4x n ARG 682 Ca -0.06 -1.63 -0.15 0.00 -1.00 0.00 0.00 57.85 55.01 3a4x n ARG 682 Cb 0.60 -1.12 -0.05 0.00 -1.05 0.00 0.00 32.46 30.84 3a4x n ARG 682 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3a4x n GLY 683 N 0.01 0.94 3.55 2.89 0.00 -1.25 -0.95 105.19 110.38 3a4x n GLY 683 Ca 0.05 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 3a4x n GLY 683 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a4x s THR 684 N -2.62 0.86 -2.29 2.61 -4.23 -1.25 -1.49 115.64 107.25 3a4x s THR 684 Ca 0.00 -2.00 0.23 0.00 -1.18 0.00 0.00 61.69 58.74 3a4x s THR 684 Cb 0.00 -2.42 0.52 0.00 1.34 0.00 0.00 72.50 71.94 3a4x s THR 684 CO 0.00 0.00 1.47 -0.46 -0.54 0.00 0.00 174.62 175.09 3a4x n ASN 685 N -1.17 3.70 -4.77 3.99 6.94 -1.26 -1.66 115.26 121.04 3a4x n ASN 685 Ca -0.08 -2.00 -0.40 0.00 -0.02 0.00 0.00 54.58 52.09 3a4x n ASN 685 Cb 0.66 -0.36 -0.01 0.00 -2.36 0.00 0.00 39.78 37.71 3a4x n ASN 685 CO 0.00 0.00 0.00 -1.81 -1.03 0.00 0.00 177.26 174.42 3a4x s ASP 686 N -1.29 6.39 0.99 0.53 1.01 -1.26 -4.85 116.67 118.20 3a4x s ASP 686 Ca 0.44 2.67 -0.11 0.00 0.71 0.00 0.00 52.55 56.25 3a4x s ASP 686 Cb 0.24 -2.64 0.19 0.00 1.01 0.00 0.00 42.92 41.72 3a4x s ASP 686 CO 0.33 -0.80 1.10 -2.16 0.21 0.00 0.00 175.17 173.85 3a4x s PRO 687 N -2.16 0.43 0.14 8.23 0.04 -1.26 -3.19 135.00 137.23 3a4x s PRO 687 Ca 0.55 1.21 -0.34 0.00 0.04 0.00 0.00 61.00 62.46 3a4x s PRO 687 Cb -0.38 -1.68 -0.16 0.00 0.04 0.00 0.00 34.50 32.31 3a4x s PRO 687 CO 0.50 -2.92 1.17 -0.25 0.04 0.00 0.00 177.00 175.54 3a4x n ASP 688 N -4.40 1.17 -0.01 6.66 8.00 -1.26 -1.91 116.55 124.80 3a4x n ASP 688 Ca 0.08 1.14 -0.00 0.00 0.71 0.00 0.00 54.79 56.72 3a4x n ASP 688 Cb 0.53 -1.17 -0.00 0.00 -0.02 0.00 0.00 41.12 40.46 3a4x n ASP 688 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3a4x n TRP 689 N 1.68 0.00 -0.23 1.24 7.02 -0.28 -4.91 117.44 121.97 3a4x n TRP 689 Ca 0.16 0.00 -0.05 0.00 -1.02 0.00 0.00 57.50 56.59 3a4x n TRP 689 Cb 0.22 -1.01 0.05 0.00 -2.42 0.00 0.00 31.31 28.15 3a4x n TRP 689 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3a4x h ALA 690 N 0.00 0.82 -0.34 6.99 0.00 -1.63 -1.92 119.26 123.19 3a4x h ALA 690 Ca -0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 3a4x h ALA 690 Cb 0.50 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3a4x h ALA 690 CO 0.00 0.23 -0.23 0.74 0.00 0.00 0.00 179.25 179.99 3a4x h PHE 691 N 0.86 0.87 -0.54 0.00 -1.00 -1.91 -2.66 116.94 112.56 3a4x h PHE 691 Ca 0.24 -0.24 0.11 0.00 2.81 0.00 0.00 57.97 60.89 3a4x h PHE 691 Cb -0.08 -0.19 -0.09 0.00 3.61 0.00 0.00 35.95 39.19 3a4x h PHE 691 CO -0.03 0.98 -0.02 0.77 -1.61 0.00 0.00 178.31 178.40 3a4x h SER 692 N 0.52 -0.27 -0.12 2.17 0.02 -1.82 -0.82 113.55 113.24 3a4x h SER 692 Ca 0.07 0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 3a4x h SER 692 Cb 0.78 0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 3a4x h SER 692 CO 0.06 -0.10 -0.22 0.45 -1.14 0.00 0.00 176.83 175.89 3a4x h HIS 693 N 0.10 0.60 -0.11 3.45 3.86 -1.22 -0.04 115.15 121.79 3a4x h HIS 693 Ca 0.27 -0.12 -0.02 0.00 -1.16 0.00 0.00 60.37 59.35 3a4x h HIS 693 Cb 0.43 -0.15 -0.00 0.00 1.06 0.00 0.00 27.41 28.74 3a4x h HIS 693 CO -0.35 0.72 0.01 0.28 0.86 0.00 0.00 177.93 179.45 3a4x h VAL 694 N 0.48 1.23 -0.24 2.45 2.07 -1.09 -3.04 116.25 118.12 3a4x h VAL 694 Ca 0.07 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 3a4x h VAL 694 Cb 0.64 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 3a4x h VAL 694 CO 0.05 0.21 -0.07 -0.26 0.02 0.00 0.00 177.57 177.52 3a4x h PHE 695 N -0.06 0.38 -0.16 1.57 -1.00 -0.88 -2.19 116.94 114.61 3a4x h PHE 695 Ca 0.03 -0.04 0.05 0.00 2.81 0.00 0.00 57.97 60.82 3a4x h PHE 695 Cb 0.32 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 39.76 3a4x h PHE 695 CO 0.02 0.44 0.12 0.28 -1.61 0.00 0.00 178.31 177.57 3a4x h VAL 696 N 0.36 0.83 -0.33 -0.55 2.07 -0.89 -1.49 116.25 116.24 3a4x h VAL 696 Ca 0.08 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.67 3a4x h VAL 696 Cb 0.35 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3a4x h VAL 696 CO 0.02 0.00 0.23 0.11 0.02 0.00 0.00 177.57 177.95 3a4x h LYS 697 N 0.00 0.13 -0.27 1.57 1.57 -1.36 -0.67 116.57 117.54 3a4x h LYS 697 Ca 0.07 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.88 3a4x h LYS 697 Cb 0.32 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.57 3a4x h LYS 697 CO -0.00 0.08 0.08 0.35 -0.57 0.00 0.00 179.45 179.40 3a4x h PHE 698 N 0.13 0.15 -0.35 -1.35 3.57 -1.41 -1.76 116.94 115.92 3a4x h PHE 698 Ca 0.15 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.53 3a4x h PHE 698 Cb 0.44 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 3a4x h PHE 698 CO -0.00 0.06 -0.35 0.52 -2.23 0.00 0.00 178.31 176.32 3a4x h MET 699 N 0.20 0.80 -0.37 1.11 2.86 -1.31 -3.21 114.93 115.02 3a4x h MET 699 Ca 0.12 -0.39 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 3a4x h MET 699 Cb 0.10 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.74 3a4x h MET 699 CO -0.13 1.02 0.20 0.93 1.06 0.00 0.00 176.91 179.99 3a4x h GLU 700 N 0.67 0.50 -0.08 1.72 5.08 -0.91 -1.25 114.58 120.31 3a4x h GLU 700 Ca 0.07 -0.05 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3a4x h GLU 700 Cb 0.90 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 3a4x h GLU 700 CO 0.08 0.38 0.06 0.00 -1.00 0.00 0.00 179.01 178.53 3a4x h ALA 701 N 1.71 1.97 -0.41 3.43 0.00 -1.32 -2.72 119.26 121.92 3a4x h ALA 701 Ca 0.13 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.81 3a4x h ALA 701 Cb 0.03 0.01 -0.14 0.00 0.00 0.00 0.00 17.79 17.69 3a4x h ALA 701 CO -0.02 -0.11 -0.07 1.19 0.00 0.00 0.00 179.25 180.24 3a4x n PHE 702 N -4.34 1.29 0.00 0.00 3.01 -0.51 -4.95 117.46 111.96 3a4x n PHE 702 Ca -0.01 -1.70 0.00 0.00 1.01 0.00 0.00 57.45 56.75 3a4x n PHE 702 Cb 0.17 -0.53 0.00 0.00 -0.01 0.00 0.00 39.48 39.11 3a4x n PHE 702 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3a4x n GLY 703 N -1.11 0.84 3.76 1.37 0.00 -1.02 -4.93 105.19 104.09 3a4x n GLY 703 Ca 0.36 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.97 3a4x n GLY 703 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a4x s TYR 704 N -2.12 3.16 -0.08 1.61 5.04 -1.00 -4.99 117.35 118.98 3a4x s TYR 704 Ca 0.00 1.37 -0.05 0.00 -2.44 0.00 0.00 57.07 55.95 3a4x s TYR 704 Cb 0.00 -3.62 0.03 0.00 0.35 0.00 0.00 41.96 38.71 3a4x s TYR 704 CO 0.00 -1.77 0.19 -0.08 -1.34 0.00 0.00 175.55 172.54 3a4x s THR 705 N -0.74 -0.02 0.00 4.34 -1.32 -1.26 -4.33 115.64 112.31 3a4x s THR 705 Ca 0.51 0.08 0.00 0.00 -1.21 0.00 0.00 61.69 61.07 3a4x s THR 705 Cb -0.38 -0.28 0.00 0.00 -1.51 0.00 0.00 72.50 70.33 3a4x s THR 705 CO 0.47 0.03 0.00 0.33 -2.21 0.00 0.00 174.62 173.24