#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r0y n GLY 391 N 0.00 1.11 2.94 1.09 0.00 -1.26 -4.10 105.19 104.97 1r0y n GLY 391 Ca 0.00 -2.05 -0.13 0.00 0.00 0.00 0.00 46.02 43.84 1r0y n GLY 391 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1r0y s ILE 392 N -1.25 -0.01 -0.05 -0.61 1.10 0.35 -4.46 121.20 116.28 1r0y s ILE 392 Ca 0.33 0.03 0.02 0.00 -0.51 0.00 0.00 60.65 60.52 1r0y s ILE 392 Cb -0.02 -0.14 0.01 0.00 0.15 0.00 0.00 42.46 42.46 1r0y s ILE 392 CO 0.21 0.01 -0.10 -0.63 -2.11 0.00 0.00 174.94 172.33 1r0y s ILE 393 N 0.23 0.95 -0.14 2.00 1.01 0.19 0.04 121.20 125.49 1r0y s ILE 393 Ca -0.02 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.25 1r0y s ILE 393 Cb -0.03 -0.88 0.02 0.00 0.01 0.00 0.00 42.46 41.59 1r0y s ILE 393 CO -0.01 0.31 -0.17 -0.04 0.00 0.00 0.00 174.94 175.03 1r0y s MET 394 N 0.55 2.50 -0.36 2.79 -1.94 -0.15 0.91 119.30 123.61 1r0y s MET 394 Ca -0.11 -0.65 -0.05 0.00 -1.71 0.00 0.00 55.69 53.17 1r0y s MET 394 Cb -0.14 -2.18 0.06 0.00 2.01 0.00 0.00 34.83 34.58 1r0y s MET 394 CO 0.02 -0.16 0.12 -1.21 -0.01 0.00 0.00 175.02 173.79 1r0y s GLU 395 N 1.24 2.46 -1.37 2.03 2.02 0.18 -1.51 118.70 123.75 1r0y s GLU 395 Ca 0.01 -1.37 -0.02 0.00 0.02 0.00 0.00 54.97 53.61 1r0y s GLU 395 Cb -0.14 -3.47 0.01 0.00 0.10 0.00 0.00 34.13 30.64 1r0y s GLU 395 CO -0.08 -0.78 0.64 -1.71 0.02 0.00 0.00 175.26 173.35 1r0y n ASN 396 N 4.74 -1.28 -4.74 -0.19 2.85 -0.94 -1.74 115.26 113.96 1r0y n ASN 396 Ca -0.10 -0.88 -0.40 0.00 -0.11 0.00 0.00 54.58 53.08 1r0y n ASN 396 Cb 0.43 -3.70 -0.05 0.00 1.24 0.00 0.00 39.78 37.71 1r0y n ASN 396 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 1r0y s VAL 397 N -3.72 4.57 0.04 3.44 1.01 -0.75 -3.57 120.40 121.43 1r0y s VAL 397 Ca 0.08 1.84 0.05 0.00 0.00 0.00 0.00 61.98 63.96 1r0y s VAL 397 Cb -0.04 -4.21 -0.02 0.00 0.00 0.00 0.00 36.38 32.10 1r0y s VAL 397 CO 0.84 0.37 -0.16 -0.89 0.00 0.00 0.00 175.10 175.26 1r0y s THR 398 N -0.19 1.23 -0.03 3.92 2.01 -0.94 -1.03 115.64 120.60 1r0y s THR 398 Ca 0.42 -1.07 -0.01 0.00 0.31 0.00 0.00 61.69 61.34 1r0y s THR 398 Cb -0.22 -1.11 0.02 0.00 0.01 0.00 0.00 72.50 71.20 1r0y s THR 398 CO 0.27 0.03 0.07 0.00 -0.69 0.00 0.00 174.62 174.29 1r0y s ALA 399 N -0.87 -0.08 0.10 7.40 0.00 -0.09 -0.72 121.76 127.50 1r0y s ALA 399 Ca 0.03 0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.32 1r0y s ALA 399 Cb -0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.75 1r0y s ALA 399 CO 0.01 -0.09 0.27 -0.06 0.00 0.00 0.00 175.76 175.90 1r0y s PHE 400 N 0.74 3.50 0.16 0.00 0.08 -1.26 0.35 117.98 121.55 1r0y s PHE 400 Ca -0.06 0.32 -0.34 0.00 0.12 0.00 0.00 56.93 56.98 1r0y s PHE 400 Cb -0.08 -1.82 -0.15 0.00 -0.57 0.00 0.00 43.02 40.40 1r0y s PHE 400 CO -0.03 0.53 1.43 0.91 -0.10 0.00 0.00 175.22 177.96 1r0y n TRP 401 N 0.08 1.94 -4.14 0.36 7.02 0.54 -4.71 117.44 118.53 1r0y n TRP 401 Ca -0.04 0.45 -0.09 0.00 -1.02 0.00 0.00 57.50 56.79 1r0y n TRP 401 Cb 0.52 -2.44 -0.10 0.00 -2.42 0.00 0.00 31.31 26.87 1r0y n TRP 401 CO 0.00 0.00 0.00 -1.21 -2.02 0.00 0.00 177.69 174.46 1r0y s GLU 402 N 0.38 0.85 0.04 -0.99 0.41 -1.26 -4.57 118.70 113.57 1r0y s GLU 402 Ca 0.77 -1.39 -0.30 0.00 -0.41 0.00 0.00 54.97 53.64 1r0y s GLU 402 Cb -0.77 0.19 -0.09 0.00 -1.78 0.00 0.00 34.13 31.68 1r0y s GLU 402 CO 0.44 -0.21 1.96 -1.91 -0.49 0.00 0.00 175.26 175.06 1r0y n GLU 403 N -0.05 2.84 0.00 1.61 2.13 -1.26 -2.42 120.64 123.49 1r0y n GLU 403 Ca -0.08 1.04 0.00 0.00 0.66 0.00 0.00 57.16 58.78 1r0y n GLU 403 Cb 0.63 -2.99 0.00 0.00 0.27 0.00 0.00 31.44 29.35 1r0y n GLU 403 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1r0y n GLY 404 N 4.52 0.47 0.14 8.31 0.00 -1.26 -4.98 105.19 112.39 1r0y n GLY 404 Ca 0.20 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.98 1r0y n GLY 404 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1r0y h PHE 405 N 0.00 0.88 -0.86 1.61 3.04 -1.86 -2.71 116.94 117.04 1r0y h PHE 405 Ca 0.00 -0.64 0.15 0.00 3.98 0.00 0.00 57.97 61.46 1r0y h PHE 405 Cb 0.00 -0.04 -0.07 0.00 2.56 0.00 0.00 35.95 38.41 1r0y h PHE 405 CO 0.00 1.54 0.56 0.78 -2.02 0.00 0.00 178.31 179.17 1r0y h GLY 406 N 0.13 1.04 1.37 2.40 0.00 -1.94 0.34 103.07 106.40 1r0y h GLY 406 Ca -0.25 -0.25 -0.21 0.00 0.00 0.00 0.00 47.33 46.61 1r0y h GLY 406 CO 0.24 0.06 -0.81 1.05 0.00 0.00 0.00 176.54 177.09 1r0y h GLU 407 N 0.58 0.61 0.07 4.80 9.09 -1.96 -0.90 114.58 126.87 1r0y h GLU 407 Ca 0.43 -0.53 0.00 0.00 0.05 0.00 0.00 59.36 59.32 1r0y h GLU 407 Cb 0.82 0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 28.03 1r0y h GLU 407 CO -0.18 1.15 -0.07 1.25 0.05 0.00 0.00 179.01 181.20 1r0y h LEU 408 N 0.40 -0.19 -1.09 3.06 7.12 -1.06 -1.97 115.31 121.58 1r0y h LEU 408 Ca -0.06 0.02 0.26 0.00 0.13 0.00 0.00 57.88 58.23 1r0y h LEU 408 Cb 1.42 0.07 -0.12 0.00 -0.53 0.00 0.00 40.66 41.50 1r0y h LEU 408 CO 0.15 -0.11 0.61 -0.07 -0.13 0.00 0.00 178.44 178.90 1r0y h LEU 409 N -0.16 0.61 0.30 2.25 3.38 -0.17 0.12 115.31 121.65 1r0y h LEU 409 Ca 0.01 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1r0y h LEU 409 Cb 0.16 0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1r0y h LEU 409 CO -0.03 0.09 -0.14 -0.33 0.09 0.00 0.00 178.44 178.12 1r0y h GLU 410 N 0.52 -0.38 -0.36 1.13 5.08 -0.53 -1.52 114.58 118.52 1r0y h GLU 410 Ca 0.64 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 59.09 1r0y h GLU 410 Cb 1.33 0.09 -0.09 0.00 0.50 0.00 0.00 28.75 30.58 1r0y h GLU 410 CO -0.44 -0.05 -0.43 0.87 -1.00 0.00 0.00 179.01 177.96 1r0y h LYS 411 N -0.79 -0.34 0.00 2.33 6.56 -0.89 -3.01 116.57 120.42 1r0y h LYS 411 Ca -0.04 0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 1r0y h LYS 411 Cb 0.51 0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.25 1r0y h LYS 411 CO 0.07 -0.23 0.00 0.28 -2.06 0.00 0.00 179.45 177.51 1r0y h VAL 412 N -0.35 0.00 0.00 0.50 2.07 -0.60 -3.46 116.25 114.41 1r0y h VAL 412 Ca 0.13 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1r0y h VAL 412 Cb 0.59 1.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1r0y h VAL 412 CO -0.54 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.05 1r0y n GLN 413 N -3.00 0.00 -2.31 1.57 6.02 -0.59 -3.58 117.38 115.50 1r0y n GLN 413 Ca -0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.58 1r0y n GLN 413 Cb 0.21 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.44 1r0y n GLN 413 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1r0y s SER 429 N 0.33 5.76 0.27 1.08 0.15 -1.26 -4.70 113.70 115.33 1r0y s SER 429 Ca 0.00 -0.03 -0.04 0.00 0.70 0.00 0.00 55.95 56.58 1r0y s SER 429 Cb 0.00 -2.55 0.56 0.00 -1.71 0.00 0.00 66.02 62.32 1r0y s SER 429 CO 0.00 -2.07 1.60 -0.26 1.20 0.00 0.00 173.24 173.71 1r0y h PHE 430 N 12.32 -0.11 -0.18 3.44 0.04 -2.00 0.29 116.94 130.74 1r0y h PHE 430 Ca -0.27 0.07 0.04 0.00 2.80 0.00 0.00 57.97 60.61 1r0y h PHE 430 Cb 1.10 0.19 -0.05 0.00 2.20 0.00 0.00 35.95 39.40 1r0y h PHE 430 CO 1.08 -0.34 -0.11 0.77 -0.60 0.00 0.00 178.31 179.12 1r0y h SER 431 N 0.06 -0.37 -0.30 2.17 0.02 -1.99 -0.14 113.55 113.01 1r0y h SER 431 Ca 0.49 0.08 0.03 0.00 -0.84 0.00 0.00 61.79 61.55 1r0y h SER 431 Cb 0.91 0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 1r0y h SER 431 CO -0.81 -0.15 0.20 0.45 -1.14 0.00 0.00 176.83 175.39 1r0y h HIS 432 N -0.11 0.27 0.00 3.45 3.86 -1.39 0.27 115.15 121.50 1r0y h HIS 432 Ca 0.10 0.01 -0.11 0.00 -1.16 0.00 0.00 60.37 59.21 1r0y h HIS 432 Cb 0.26 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 1r0y h HIS 432 CO -0.26 0.16 -0.53 -0.07 0.86 0.00 0.00 177.93 178.09 1r0y h LEU 433 N 0.28 0.00 0.02 2.43 3.38 -0.39 -1.00 115.31 120.03 1r0y h LEU 433 Ca 0.13 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.84 1r0y h LEU 433 Cb 0.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1r0y h LEU 433 CO -0.03 0.53 -1.37 0.00 0.09 0.00 0.00 178.44 177.67 1r0y h LEU 435 N 0.01 0.15 -1.23 0.00 4.07 -0.36 -3.27 115.31 114.69 1r0y h LEU 435 Ca -0.16 -0.44 -0.03 0.00 0.08 0.00 0.00 57.88 57.33 1r0y h LEU 435 Cb 1.91 -0.04 -0.00 0.00 1.08 0.00 0.00 40.66 43.60 1r0y h LEU 435 CO 0.12 0.56 -0.14 0.58 -1.08 0.00 0.00 178.44 178.48 1r0y h VAL 436 N -0.26 0.35 -3.21 1.22 2.07 -1.33 -3.49 116.25 111.61 1r0y h VAL 436 Ca 0.01 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1r0y h VAL 436 Cb 0.51 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1r0y h VAL 436 CO 0.01 0.14 -0.13 0.61 0.02 0.00 0.00 177.57 178.22 1r0y n GLY 437 N 0.11 -3.06 3.02 2.17 0.00 -1.20 -5.09 105.19 101.13 1r0y n GLY 437 Ca 0.00 -0.17 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 1r0y n GLY 437 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1r0y s ASN 438 N -0.12 -0.21 0.08 1.61 0.01 -1.22 -5.05 114.94 110.03 1r0y s ASN 438 Ca -0.01 0.44 -0.31 0.00 -0.71 0.00 0.00 52.86 52.27 1r0y s ASN 438 Cb 0.00 0.34 -0.07 0.00 0.41 0.00 0.00 41.25 41.93 1r0y s ASN 438 CO 0.08 -0.15 1.38 -2.84 -1.51 0.00 0.00 177.10 174.06 1r0y s PRO 439 N 1.08 4.32 0.03 -0.60 0.02 -1.26 -0.34 135.00 138.25 1r0y s PRO 439 Ca -0.08 2.03 0.05 0.00 0.02 0.00 0.00 61.00 63.02 1r0y s PRO 439 Cb -0.09 -3.34 -0.24 0.00 0.02 0.00 0.00 34.50 30.84 1r0y s PRO 439 CO -0.07 -0.46 0.96 -0.24 -0.33 0.00 0.00 177.00 176.87 1r0y h VAL 440 N 4.45 1.28 -3.96 3.83 3.04 -0.39 -3.45 116.25 121.06 1r0y h VAL 440 Ca -0.41 -3.01 -0.21 0.00 -1.01 0.00 0.00 66.70 62.06 1r0y h VAL 440 Cb 1.20 2.70 -0.22 0.00 -2.01 0.00 0.00 31.29 32.96 1r0y h VAL 440 CO 0.87 0.78 -0.71 -0.76 -1.01 0.00 0.00 177.57 176.74 1r0y s LEU 441 N -6.63 2.22 -0.12 3.16 1.43 -1.07 -4.21 118.68 113.46 1r0y s LEU 441 Ca -0.04 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.54 1r0y s LEU 441 Cb 0.08 0.01 0.05 0.00 0.03 0.00 0.00 46.19 46.37 1r0y s LEU 441 CO 0.83 -0.24 0.27 -0.75 0.23 0.00 0.00 176.35 176.69 1r0y s LYS 442 N -1.36 0.21 -1.30 1.70 2.36 -0.51 -0.92 119.74 119.92 1r0y s LYS 442 Ca -0.13 0.62 -0.04 0.00 -2.55 0.00 0.00 55.97 53.87 1r0y s LYS 442 Cb -0.09 -0.08 0.01 0.00 -1.05 0.00 0.00 37.83 36.62 1r0y s LYS 442 CO -0.01 -0.20 1.02 0.09 1.55 0.00 0.00 175.35 177.80 1r0y n ASN 443 N 4.57 -3.62 -4.71 1.43 3.02 -0.62 -4.48 115.26 110.86 1r0y n ASN 443 Ca -0.19 -0.64 -0.41 0.00 -0.03 0.00 0.00 54.58 53.31 1r0y n ASN 443 Cb 0.52 -4.81 -0.04 0.00 -0.61 0.00 0.00 39.78 34.84 1r0y n ASN 443 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1r0y s ILE 444 N -3.39 4.98 -0.06 2.41 -1.09 -0.20 -4.75 121.20 119.10 1r0y s ILE 444 Ca 0.26 1.63 0.02 0.00 -2.23 0.00 0.00 60.65 60.34 1r0y s ILE 444 Cb -0.12 -4.13 0.01 0.00 -1.58 0.00 0.00 42.46 36.65 1r0y s ILE 444 CO 0.75 0.20 -0.13 0.20 -1.23 0.00 0.00 174.94 174.74 1r0y s ASN 445 N 0.89 1.81 0.02 3.58 0.01 -1.26 -1.80 114.94 118.19 1r0y s ASN 445 Ca 0.42 -0.30 -0.10 0.00 -0.71 0.00 0.00 52.86 52.16 1r0y s ASN 445 Cb -0.18 -0.83 0.01 0.00 0.41 0.00 0.00 41.25 40.66 1r0y s ASN 445 CO 0.20 0.04 0.21 -1.48 -1.51 0.00 0.00 177.10 174.56 1r0y s LEU 446 N 0.63 1.29 -0.20 0.60 0.05 -0.57 -4.97 118.68 115.52 1r0y s LEU 446 Ca -0.14 -0.22 -0.04 0.00 0.05 0.00 0.00 54.13 53.77 1r0y s LEU 446 Cb -0.16 0.96 0.08 0.00 -2.05 0.00 0.00 46.19 45.02 1r0y s LEU 446 CO 0.04 -0.49 0.15 0.21 -0.55 0.00 0.00 176.35 175.71 1r0y s ASN 447 N -1.74 2.01 -0.12 1.48 3.84 -1.26 -0.98 114.94 118.18 1r0y s ASN 447 Ca -0.09 -0.51 0.02 0.00 0.21 0.00 0.00 52.86 52.49 1r0y s ASN 447 Cb -0.04 0.02 0.01 0.00 -0.55 0.00 0.00 41.25 40.70 1r0y s ASN 447 CO -0.01 -0.35 -0.17 -0.63 -2.79 0.00 0.00 177.10 173.16 1r0y s ILE 448 N 2.22 1.61 0.41 -5.21 -1.09 0.11 -4.99 121.20 114.26 1r0y s ILE 448 Ca 0.05 -0.71 -0.23 0.00 -2.23 0.00 0.00 60.65 57.52 1r0y s ILE 448 Cb -0.16 -1.46 -0.09 0.00 -1.58 0.00 0.00 42.46 39.17 1r0y s ILE 448 CO -0.13 0.46 1.03 -1.61 -1.23 0.00 0.00 174.94 173.47 1r0y s GLU 449 N 0.97 4.13 -0.10 2.79 2.02 -1.26 -0.49 118.70 126.75 1r0y s GLU 449 Ca -0.06 1.43 -0.26 0.00 0.02 0.00 0.00 54.97 56.10 1r0y s GLU 449 Cb -0.15 -2.44 -0.12 0.00 0.10 0.00 0.00 34.13 31.52 1r0y s GLU 449 CO -0.02 -0.16 0.76 1.63 0.02 0.00 0.00 175.26 177.49 1r0y n LYS 450 N -0.25 0.00 -1.00 1.61 5.02 -1.26 -0.50 118.16 121.78 1r0y n LYS 450 Ca 0.06 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1r0y n LYS 450 Cb 0.51 -0.91 0.00 0.00 -0.02 0.00 0.00 35.03 34.61 1r0y n LYS 450 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1r0y n GLY 451 N 1.42 0.79 3.94 0.72 0.00 -1.26 -4.90 105.19 105.91 1r0y n GLY 451 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.93 1r0y n GLY 451 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1r0y s GLU 452 N -0.01 3.21 -0.25 1.61 2.02 0.35 -4.46 118.70 121.17 1r0y s GLU 452 Ca 0.00 -0.37 -0.04 0.00 0.02 0.00 0.00 54.97 54.58 1r0y s GLU 452 Cb 0.00 -2.56 0.00 0.00 0.10 0.00 0.00 34.13 31.68 1r0y s GLU 452 CO 0.00 -0.18 0.00 1.41 0.02 0.00 0.00 175.26 176.51 1r0y s MET 453 N -4.53 3.18 -0.26 1.61 -2.45 -1.26 -1.31 119.30 114.28 1r0y s MET 453 Ca 0.46 -0.77 -0.22 0.00 -1.25 0.00 0.00 55.69 53.91 1r0y s MET 453 Cb -0.10 -3.14 -0.01 0.00 1.25 0.00 0.00 34.83 32.83 1r0y s MET 453 CO 0.38 -0.32 0.71 -1.17 1.05 0.00 0.00 175.02 175.67 1r0y s LEU 454 N 1.46 4.07 -0.22 4.11 0.20 -0.52 -0.63 118.68 127.16 1r0y s LEU 454 Ca 0.03 0.80 -0.15 0.00 0.69 0.00 0.00 54.13 55.50 1r0y s LEU 454 Cb -0.16 -2.98 -0.04 0.00 -0.43 0.00 0.00 46.19 42.58 1r0y s LEU 454 CO -0.01 -0.44 0.38 0.00 -0.29 0.00 0.00 176.35 175.98 1r0y s ALA 455 N 2.66 3.56 -0.25 5.97 0.00 -0.67 -1.07 121.76 131.97 1r0y s ALA 455 Ca 0.29 -0.61 -0.06 0.00 0.00 0.00 0.00 51.96 51.58 1r0y s ALA 455 Cb -0.15 -2.62 -0.02 0.00 0.00 0.00 0.00 23.12 20.33 1r0y s ALA 455 CO 0.09 -0.36 0.04 0.42 0.00 0.00 0.00 175.76 175.95 1r0y s ILE 456 N 1.43 4.00 0.11 0.00 1.01 -0.67 -0.31 121.20 126.78 1r0y s ILE 456 Ca 0.17 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.48 1r0y s ILE 456 Cb -0.15 -2.90 -0.00 0.00 0.01 0.00 0.00 42.46 39.42 1r0y s ILE 456 CO 0.08 0.31 0.04 1.07 0.00 0.00 0.00 174.94 176.44 1r0y n THR 457 N 4.88 0.00 -1.68 2.92 5.66 -0.47 -0.22 114.28 125.36 1r0y n THR 457 Ca -0.16 -0.62 0.00 0.00 -3.05 0.00 0.00 64.05 60.22 1r0y n THR 457 Cb 0.51 0.23 0.00 0.00 -1.55 0.00 0.00 70.33 69.51 1r0y n THR 457 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1r0y n GLY 458 N 1.47 -0.98 3.92 1.09 0.00 -1.26 -0.66 105.19 108.77 1r0y n GLY 458 Ca -0.01 -1.49 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 1r0y n GLY 458 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r0y s SER 459 N -2.52 4.66 0.62 1.61 1.04 -0.84 -4.70 113.70 113.57 1r0y s SER 459 Ca 0.00 0.59 -0.17 0.00 0.48 0.00 0.00 55.95 56.85 1r0y s SER 459 Cb 0.00 -1.17 -0.02 0.00 0.10 0.00 0.00 66.02 64.93 1r0y s SER 459 CO 0.00 -1.74 1.14 0.42 0.98 0.00 0.00 173.24 174.04 1r0y s THR 460 N -3.40 3.04 -1.56 2.02 -4.23 -1.26 -2.92 115.64 107.33 1r0y s THR 460 Ca 0.61 0.55 -0.07 0.00 -1.18 0.00 0.00 61.69 61.61 1r0y s THR 460 Cb -0.11 -3.12 0.06 0.00 1.34 0.00 0.00 72.50 70.67 1r0y s THR 460 CO 0.47 -0.23 0.42 0.61 -0.54 0.00 0.00 174.62 175.35 1r0y n GLY 461 N -0.08 -0.27 0.20 3.99 0.00 -1.26 -4.89 105.19 102.89 1r0y n GLY 461 Ca 0.11 0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.39 1r0y n GLY 461 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1r0y n SER 462 N -2.84 1.22 0.00 1.61 3.41 -1.15 -4.60 113.62 111.28 1r0y n SER 462 Ca -0.18 -0.99 0.00 0.00 -0.26 0.00 0.00 58.87 57.43 1r0y n SER 462 Cb 0.62 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 65.10 1r0y n SER 462 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1r0y n GLY 463 N 1.44 1.36 0.38 5.00 0.00 -1.26 -0.95 105.19 111.16 1r0y n GLY 463 Ca 0.08 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 1r0y n GLY 463 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r0y h LYS 464 N 0.97 -0.72 -0.96 1.61 1.57 -1.92 0.13 116.57 117.24 1r0y h LYS 464 Ca 0.00 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1r0y h LYS 464 Cb 0.00 0.16 -0.05 0.00 0.08 0.00 0.00 32.23 32.42 1r0y h LYS 464 CO 0.00 -0.48 0.64 1.15 -0.57 0.00 0.00 179.45 180.18 1r0y h THR 465 N -0.75 1.22 -0.32 -0.16 2.02 -2.01 -2.58 112.91 110.33 1r0y h THR 465 Ca -0.03 -0.44 -0.07 0.00 0.77 0.00 0.00 66.41 66.65 1r0y h THR 465 Cb 0.67 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 1r0y h THR 465 CO -0.05 0.23 -0.09 0.28 0.37 0.00 0.00 175.52 176.27 1r0y h SER 466 N 1.27 0.52 -0.41 4.18 0.02 -1.78 0.11 113.55 117.45 1r0y h SER 466 Ca 0.36 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1r0y h SER 466 Cb -0.10 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.28 1r0y h SER 466 CO -0.09 0.65 0.16 0.25 -1.14 0.00 0.00 176.83 176.66 1r0y h LEU 467 N 0.50 0.62 -0.57 5.07 5.85 -0.36 -2.32 115.31 124.09 1r0y h LEU 467 Ca 0.10 -0.08 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 1r0y h LEU 467 Cb 0.46 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1r0y h LEU 467 CO 0.02 0.58 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.37 1r0y h LEU 468 N 0.67 0.89 -1.91 2.25 4.07 -0.72 -2.83 115.31 117.73 1r0y h LEU 468 Ca 0.16 -0.35 -0.01 0.00 0.08 0.00 0.00 57.88 57.76 1r0y h LEU 468 Cb 0.18 -0.25 -0.00 0.00 1.08 0.00 0.00 40.66 41.67 1r0y h LEU 468 CO -0.01 1.10 -0.04 0.24 -1.08 0.00 0.00 178.44 178.65 1r0y h MET 469 N 0.74 0.01 -0.07 1.13 2.86 -0.86 0.39 114.93 119.12 1r0y h MET 469 Ca 0.09 -0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.67 1r0y h MET 469 Cb 0.81 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.47 1r0y h MET 469 CO 0.07 0.05 -0.18 1.25 1.06 0.00 0.00 176.91 179.16 1r0y h LEU 470 N 0.01 0.28 -0.59 1.22 5.85 -1.28 0.41 115.31 121.21 1r0y h LEU 470 Ca 0.00 -0.59 0.11 0.00 0.84 0.00 0.00 57.88 58.25 1r0y h LEU 470 Cb 0.08 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 40.94 1r0y h LEU 470 CO 0.01 0.82 0.11 0.40 -0.34 0.00 0.00 178.44 179.44 1r0y h ILE 471 N -0.24 0.64 0.00 4.05 2.04 -1.21 -1.18 117.51 121.62 1r0y h ILE 471 Ca -0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1r0y h ILE 471 Cb 0.78 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 1r0y h ILE 471 CO 0.04 0.04 0.00 0.18 0.00 0.00 0.00 178.15 178.41 1r0y n LEU 472 N -5.14 0.22 0.00 1.44 4.77 0.13 -4.87 117.00 113.56 1r0y n LEU 472 Ca 0.09 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1r0y n LEU 472 Cb 0.32 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1r0y n LEU 472 CO 0.17 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.54 1r0y n GLY 473 N 0.27 0.61 0.12 -0.72 0.00 0.61 -4.93 105.19 101.15 1r0y n GLY 473 Ca 0.04 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.09 1r0y n GLY 473 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1r0y h GLU 474 N 1.56 0.00 -6.27 1.61 4.39 -0.59 -3.44 114.58 111.84 1r0y h GLU 474 Ca 0.00 0.00 -0.59 0.00 0.34 0.00 0.00 59.36 59.11 1r0y h GLU 474 Cb 0.00 0.00 -0.19 0.00 -0.10 0.00 0.00 28.75 28.46 1r0y h GLU 474 CO 0.00 0.00 -0.81 -1.17 -1.16 0.00 0.00 179.01 175.87 1r0y s LEU 475 N -5.05 2.41 -0.05 1.33 2.96 -1.08 -4.95 118.68 114.25 1r0y s LEU 475 Ca 0.06 -0.84 0.03 0.00 -0.22 0.00 0.00 54.13 53.16 1r0y s LEU 475 Cb 0.10 -0.98 -0.03 0.00 0.50 0.00 0.00 46.19 45.78 1r0y s LEU 475 CO 0.70 0.05 -0.13 -1.83 -1.32 0.00 0.00 176.35 173.82 1r0y s GLU 476 N -2.61 2.54 -0.41 1.98 1.03 -1.26 -4.40 118.70 115.57 1r0y s GLU 476 Ca 0.16 -0.67 -0.22 0.00 0.03 0.00 0.00 54.97 54.27 1r0y s GLU 476 Cb -0.07 -2.42 0.02 0.00 -0.80 0.00 0.00 34.13 30.86 1r0y s GLU 476 CO 0.08 0.63 0.74 0.00 -1.33 0.00 0.00 175.26 175.38 1r0y s ALA 477 N -0.76 3.36 0.09 -0.84 0.00 -1.26 -4.40 121.76 117.95 1r0y s ALA 477 Ca 0.12 -0.92 0.13 0.00 0.00 0.00 0.00 51.96 51.28 1r0y s ALA 477 Cb -0.11 -3.37 0.22 0.00 0.00 0.00 0.00 23.12 19.85 1r0y s ALA 477 CO 0.01 -1.71 1.51 0.77 0.00 0.00 0.00 175.76 176.34 1r0y h SER 478 N 8.76 0.00 -4.53 0.00 0.02 -1.31 -3.45 113.55 113.05 1r0y h SER 478 Ca -0.25 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 60.43 1r0y h SER 478 Cb 1.09 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.49 1r0y h SER 478 CO 0.92 0.63 -0.68 -1.61 -1.14 0.00 0.00 176.83 174.95 1r0y s GLU 479 N -3.20 1.03 0.00 3.45 2.02 -0.98 -4.98 118.70 116.04 1r0y s GLU 479 Ca 0.01 -1.47 0.00 0.00 0.02 0.00 0.00 54.97 53.53 1r0y s GLU 479 Cb 0.10 -0.26 0.00 0.00 0.10 0.00 0.00 34.13 34.07 1r0y s GLU 479 CO 0.75 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 176.35 1r0y n GLY 480 N -0.18 -1.83 3.50 -1.39 0.00 -1.23 -2.22 105.19 101.84 1r0y n GLY 480 Ca -0.08 -1.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.09 1r0y n GLY 480 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1r0y s ILE 481 N -1.96 3.89 -0.13 -0.61 1.01 -0.71 -4.86 121.20 117.83 1r0y s ILE 481 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1r0y s ILE 481 Cb 0.00 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 1r0y s ILE 481 CO 0.00 0.50 -0.15 -0.51 0.00 0.00 0.00 174.94 174.77 1r0y s ILE 482 N 0.32 2.76 -0.09 2.92 2.07 -1.26 0.48 121.20 128.40 1r0y s ILE 482 Ca -0.04 -0.76 0.03 0.00 -1.41 0.00 0.00 60.65 58.48 1r0y s ILE 482 Cb -0.14 -2.15 0.01 0.00 0.13 0.00 0.00 42.46 40.31 1r0y s ILE 482 CO 0.03 0.53 -0.17 -0.54 -1.91 0.00 0.00 174.94 172.87 1r0y s LYS 483 N 0.53 2.33 -0.19 3.50 1.02 0.26 -4.96 119.74 122.23 1r0y s LYS 483 Ca -0.10 -0.63 -0.29 0.00 0.02 0.00 0.00 55.97 54.97 1r0y s LYS 483 Cb -0.16 -1.84 0.14 0.00 -0.52 0.00 0.00 37.83 35.44 1r0y s LYS 483 CO 0.04 0.08 1.05 -3.38 -0.92 0.00 0.00 175.35 172.22 1r0y s HIS 484 N 0.58 -0.33 0.06 3.18 -3.43 -1.26 0.57 115.29 114.65 1r0y s HIS 484 Ca -0.15 0.60 0.00 0.00 -0.80 0.00 0.00 55.06 54.71 1r0y s HIS 484 Cb -0.17 0.45 -0.04 0.00 -1.43 0.00 0.00 32.58 31.40 1r0y s HIS 484 CO 0.05 -0.29 -0.04 -1.54 -2.00 0.00 0.00 174.74 170.92 1r0y s SER 485 N -0.96 0.64 0.00 7.38 1.04 -1.26 -5.08 113.70 115.46 1r0y s SER 485 Ca 0.00 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.54 1r0y s SER 485 Cb -0.01 0.15 0.00 0.00 0.10 0.00 0.00 66.02 66.26 1r0y s SER 485 CO -0.01 -0.49 0.00 0.61 0.98 0.00 0.00 173.24 174.33 1r0y n GLY 486 N 0.39 1.97 3.76 7.32 0.00 -1.26 -4.68 105.19 112.69 1r0y n GLY 486 Ca -0.16 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.41 1r0y n GLY 486 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1r0y s ARG 487 N -2.14 4.35 0.07 1.61 0.52 -1.26 -4.85 118.95 117.25 1r0y s ARG 487 Ca 0.00 2.19 0.07 0.00 -0.52 0.00 0.00 55.73 57.47 1r0y s ARG 487 Cb 0.00 -3.10 -0.04 0.00 0.52 0.00 0.00 34.95 32.33 1r0y s ARG 487 CO 0.00 -0.23 -0.14 0.54 0.02 0.00 0.00 175.30 175.49 1r0y s VAL 488 N -0.74 3.07 -0.09 3.52 0.11 -1.26 -0.74 120.40 124.27 1r0y s VAL 488 Ca 0.52 -1.21 0.03 0.00 -2.93 0.00 0.00 61.98 58.40 1r0y s VAL 488 Cb -0.39 -2.36 0.00 0.00 -1.53 0.00 0.00 36.38 32.10 1r0y s VAL 488 CO 0.48 0.24 -0.20 -0.55 -3.33 0.00 0.00 175.10 171.74 1r0y s SER 489 N -1.76 2.69 -0.16 3.54 0.15 -0.27 -4.99 113.70 112.89 1r0y s SER 489 Ca 0.17 -0.48 0.01 0.00 0.70 0.00 0.00 55.95 56.35 1r0y s SER 489 Cb -0.11 -1.23 0.02 0.00 -1.71 0.00 0.00 66.02 63.00 1r0y s SER 489 CO 0.09 0.12 -0.15 0.12 1.20 0.00 0.00 173.24 174.61 1r0y s PHE 490 N 0.45 2.39 -0.38 3.44 5.36 -1.26 -0.10 117.98 127.88 1r0y s PHE 490 Ca -0.17 -1.40 -0.09 0.00 -0.96 0.00 0.00 56.93 54.31 1r0y s PHE 490 Cb -0.17 -1.70 0.05 0.00 -0.34 0.00 0.00 43.02 40.86 1r0y s PHE 490 CO 0.07 -0.72 0.20 0.00 -1.46 0.00 0.00 175.22 173.31 1r0y s SER 492 N 1.72 5.51 0.37 0.00 1.04 -1.26 -0.84 113.70 120.24 1r0y s SER 492 Ca 0.01 1.80 0.11 0.00 0.48 0.00 0.00 55.95 58.36 1r0y s SER 492 Cb -0.21 -2.53 0.90 0.00 0.10 0.00 0.00 66.02 64.28 1r0y s SER 492 CO 0.04 -1.35 1.85 -0.61 0.98 0.00 0.00 173.24 174.14 1r0y h GLN 493 N 0.02 0.59 -6.38 4.02 4.15 -1.68 -3.39 115.11 112.44 1r0y h GLN 493 Ca -0.46 -0.04 -0.54 0.00 0.77 0.00 0.00 58.65 58.38 1r0y h GLN 493 Cb 1.22 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 28.76 1r0y h GLN 493 CO 0.56 0.39 0.54 0.12 -1.93 0.00 0.00 178.83 178.51 1r0y s PHE 494 N -5.62 3.45 -0.87 3.99 5.36 -1.23 -4.96 117.98 118.09 1r0y s PHE 494 Ca -0.10 1.44 -0.15 0.00 -0.96 0.00 0.00 56.93 57.17 1r0y s PHE 494 Cb 0.23 -3.29 0.20 0.00 -0.34 0.00 0.00 43.02 39.82 1r0y s PHE 494 CO 0.79 -0.74 0.88 -1.12 -1.46 0.00 0.00 175.22 173.56 1r0y s SER 495 N 1.16 6.78 0.43 6.13 0.01 -1.26 -5.03 113.70 121.91 1r0y s SER 495 Ca 0.54 -2.61 -0.22 0.00 1.31 0.00 0.00 55.95 54.97 1r0y s SER 495 Cb -0.24 -2.25 -0.09 0.00 0.21 0.00 0.00 66.02 63.64 1r0y s SER 495 CO 0.25 -0.66 1.02 -1.66 0.41 0.00 0.00 173.24 172.59 1r0y s TRP 496 N 0.65 3.21 -0.05 2.43 1.48 -1.26 -4.87 118.94 120.52 1r0y s TRP 496 Ca 0.22 1.62 0.01 0.00 -1.06 0.00 0.00 56.10 56.89 1r0y s TRP 496 Cb -0.09 -3.03 0.02 0.00 -1.16 0.00 0.00 33.47 29.21 1r0y s TRP 496 CO -0.09 -0.53 -0.04 0.42 -4.06 0.00 0.00 176.95 172.65 1r0y s ILE 497 N -1.87 0.57 0.05 0.66 -1.09 -1.26 -4.81 121.20 113.44 1r0y s ILE 497 Ca 0.61 -0.10 -0.00 0.00 -2.23 0.00 0.00 60.65 58.93 1r0y s ILE 497 Cb -0.17 -0.61 -0.04 0.00 -1.58 0.00 0.00 42.46 40.06 1r0y s ILE 497 CO 0.22 0.25 0.18 -0.04 -1.23 0.00 0.00 174.94 174.31 1r0y s MET 498 N 1.15 3.34 0.30 2.79 -1.94 -1.26 -3.09 119.30 120.58 1r0y s MET 498 Ca -0.07 -0.46 -0.29 0.00 -1.71 0.00 0.00 55.69 53.16 1r0y s MET 498 Cb -0.14 -2.99 -0.13 0.00 2.01 0.00 0.00 34.83 33.57 1r0y s MET 498 CO -0.01 0.62 1.17 -2.30 -0.01 0.00 0.00 175.02 174.48 1r0y n PRO 499 N 0.47 1.72 0.00 2.03 -0.02 -1.26 -4.62 135.00 133.32 1r0y n PRO 499 Ca -0.07 0.60 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1r0y n PRO 499 Cb 0.51 -2.09 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1r0y n PRO 499 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1r0y n GLY 500 N 1.18 1.23 3.74 -1.23 0.00 -1.21 -4.94 105.19 103.96 1r0y n GLY 500 Ca 0.08 -2.10 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 1r0y n GLY 500 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r0y s THR 501 N -1.14 2.54 0.13 2.61 -4.23 -1.26 -2.25 115.64 112.05 1r0y s THR 501 Ca 0.00 0.18 -0.19 0.00 -1.18 0.00 0.00 61.69 60.50 1r0y s THR 501 Cb 0.00 -2.76 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 1r0y s THR 501 CO 0.00 -0.23 1.75 0.40 -0.54 0.00 0.00 174.62 176.00 1r0y h ILE 502 N -1.51 0.93 -0.35 2.99 2.04 -1.30 0.94 117.51 121.25 1r0y h ILE 502 Ca -0.50 -0.07 0.06 0.00 1.00 0.00 0.00 64.86 65.35 1r0y h ILE 502 Cb 1.30 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 38.05 1r0y h ILE 502 CO 0.57 0.04 0.03 0.50 0.00 0.00 0.00 178.15 179.29 1r0y h LYS 503 N 0.19 0.13 -0.70 2.37 3.64 -1.55 -1.84 116.57 118.81 1r0y h LYS 503 Ca 0.11 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1r0y h LYS 503 Cb 0.08 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1r0y h LYS 503 CO -0.11 0.09 0.36 0.93 -2.27 0.00 0.00 179.45 178.44 1r0y h GLU 504 N 0.14 0.98 -0.71 1.90 5.08 -1.68 -0.66 114.58 119.61 1r0y h GLU 504 Ca 0.17 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 1r0y h GLU 504 Cb 0.21 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1r0y h GLU 504 CO -0.25 0.74 0.34 -0.91 -1.00 0.00 0.00 179.01 177.93 1r0y h ASN 505 N 0.98 0.92 0.14 1.42 2.35 -0.49 -2.71 115.58 118.19 1r0y h ASN 505 Ca 0.24 -0.10 -0.17 0.00 -0.55 0.00 0.00 56.30 55.72 1r0y h ASN 505 Cb 0.07 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1r0y h ASN 505 CO -0.04 0.77 -0.64 0.40 -1.65 0.00 0.00 177.43 176.27 1r0y h ILE 506 N 1.01 1.35 -0.65 2.81 2.04 -0.33 -3.19 117.51 120.54 1r0y h ILE 506 Ca 0.25 -1.97 -0.24 0.00 1.00 0.00 0.00 64.86 63.90 1r0y h ILE 506 Cb 0.10 1.95 -0.14 0.00 -0.74 0.00 0.00 36.82 37.98 1r0y h ILE 506 CO -0.03 0.60 0.31 2.30 0.00 0.00 0.00 178.15 181.32 1r0y n ILE 507 N -3.90 2.51 -1.64 -0.67 -5.35 -0.48 -4.38 119.36 105.45 1r0y n ILE 507 Ca -0.04 -1.34 -0.46 0.00 -0.27 0.00 0.00 62.75 60.64 1r0y n ILE 507 Cb 0.66 -0.48 -0.04 0.00 -1.74 0.00 0.00 39.64 38.04 1r0y n ILE 507 CO 0.00 0.00 0.00 0.33 -1.76 0.00 0.00 176.55 175.12 1r0y n PHE 508 N -0.27 2.27 -3.14 4.28 7.35 -1.03 -1.38 117.46 125.55 1r0y n PHE 508 Ca 0.37 -0.13 -0.23 0.00 -0.76 0.00 0.00 57.45 56.70 1r0y n PHE 508 Cb 1.25 -2.71 0.04 0.00 0.35 0.00 0.00 39.48 38.41 1r0y n PHE 508 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1r0y n GLY 509 N 4.86 -0.52 3.14 7.13 0.00 -1.26 -5.02 105.19 113.51 1r0y n GLY 509 Ca 0.24 0.15 -0.12 0.00 0.00 0.00 0.00 46.02 46.29 1r0y n GLY 509 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1r0y s VAL 510 N -3.18 0.06 0.46 1.61 1.01 -0.48 -5.14 120.40 114.74 1r0y s VAL 510 Ca 0.35 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.64 1r0y s VAL 510 Cb -0.16 -0.45 -0.10 0.00 0.00 0.00 0.00 36.38 35.67 1r0y s VAL 510 CO 0.44 -0.28 0.96 -0.94 0.00 0.00 0.00 175.10 175.28 1r0y s SER 511 N -1.08 6.83 0.19 3.32 1.04 -1.26 -4.90 113.70 117.84 1r0y s SER 511 Ca -0.12 1.65 -0.30 0.00 0.48 0.00 0.00 55.95 57.66 1r0y s SER 511 Cb -0.06 -2.53 -0.08 0.00 0.10 0.00 0.00 66.02 63.45 1r0y s SER 511 CO 0.02 -0.44 1.21 -0.47 0.98 0.00 0.00 173.24 174.54 1r0y s TYR 512 N -2.34 3.40 -0.13 5.02 5.04 -1.26 -5.03 117.35 122.05 1r0y s TYR 512 Ca 0.61 1.40 -0.04 0.00 -2.44 0.00 0.00 57.07 56.60 1r0y s TYR 512 Cb -0.09 -3.45 0.06 0.00 0.35 0.00 0.00 41.96 38.83 1r0y s TYR 512 CO 0.20 -1.28 0.18 0.34 -1.34 0.00 0.00 175.55 173.65 1r0y s ASP 513 N 0.14 1.06 0.11 4.32 -1.08 -1.26 -5.09 116.67 114.86 1r0y s ASP 513 Ca 0.53 0.10 -0.31 0.00 -0.52 0.00 0.00 52.55 52.35 1r0y s ASP 513 Cb -0.33 0.30 -0.11 0.00 -1.46 0.00 0.00 42.92 41.32 1r0y s ASP 513 CO 0.37 -0.28 1.60 -0.08 0.52 0.00 0.00 175.17 177.30 1r0y h GLU 514 N 8.35 -0.66 -0.70 4.34 4.81 -1.98 0.11 114.58 128.84 1r0y h GLU 514 Ca -0.15 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1r0y h GLU 514 Cb 1.13 0.15 -0.06 0.00 0.63 0.00 0.00 28.75 30.60 1r0y h GLU 514 CO 0.20 -0.44 0.39 1.88 -0.73 0.00 0.00 179.01 180.31 1r0y h TYR 515 N -0.68 0.72 -0.04 0.92 0.05 -1.99 -0.50 116.97 115.44 1r0y h TYR 515 Ca 0.01 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.80 1r0y h TYR 515 Cb 0.68 -0.22 -0.00 0.00 1.01 0.00 0.00 36.73 38.20 1r0y h TYR 515 CO -0.31 0.33 -0.02 -0.09 -1.05 0.00 0.00 178.16 177.02 1r0y h ARG 516 N 0.71 0.09 -0.16 4.88 2.43 -1.67 -2.49 114.38 118.16 1r0y h ARG 516 Ca 0.32 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.50 1r0y h ARG 516 Cb 0.22 -0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 1r0y h ARG 516 CO -0.20 0.47 -0.26 -0.92 -1.51 0.00 0.00 179.97 177.56 1r0y h TYR 517 N -0.30 -0.69 0.00 2.20 3.20 -0.59 -1.12 116.97 119.67 1r0y h TYR 517 Ca 0.01 0.03 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 1r0y h TYR 517 Cb 0.45 0.33 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 1r0y h TYR 517 CO 0.07 -0.34 -0.39 0.87 -1.64 0.00 0.00 178.16 176.73 1r0y h LYS 518 N -0.31 0.00 0.05 1.82 1.57 -1.02 -0.21 116.57 118.47 1r0y h LYS 518 Ca 0.11 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.62 1r0y h LYS 518 Cb 0.47 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.80 1r0y h LYS 518 CO -0.34 0.39 -1.11 1.03 -0.57 0.00 0.00 179.45 178.85 1r0y h SER 519 N 0.00 0.81 -0.17 0.86 0.87 -0.97 -1.58 113.55 113.37 1r0y h SER 519 Ca -0.00 -0.69 0.00 0.00 -1.23 0.00 0.00 61.79 59.86 1r0y h SER 519 Cb 0.69 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 1r0y h SER 519 CO 0.05 1.50 0.11 0.58 -0.53 0.00 0.00 176.83 178.54 1r0y h VAL 520 N 0.31 1.06 -0.64 2.23 2.07 0.01 -1.74 116.25 119.56 1r0y h VAL 520 Ca -0.14 -0.14 0.11 0.00 0.82 0.00 0.00 66.70 67.35 1r0y h VAL 520 Cb 1.77 0.84 -0.08 0.00 -1.52 0.00 0.00 31.29 32.31 1r0y h VAL 520 CO 0.21 0.06 0.21 0.58 0.02 0.00 0.00 177.57 178.65 1r0y h VAL 521 N 0.22 0.71 -0.09 2.57 2.07 -1.09 -0.74 116.25 119.90 1r0y h VAL 521 Ca 0.06 -0.13 -0.10 0.00 0.82 0.00 0.00 66.70 67.35 1r0y h VAL 521 Cb 0.00 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1r0y h VAL 521 CO -0.01 0.07 -0.33 0.50 0.02 0.00 0.00 177.57 177.81 1r0y h LYS 522 N 0.37 0.38 0.00 1.57 3.64 -1.19 -1.79 116.57 119.55 1r0y h LYS 522 Ca 0.33 -0.29 -0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1r0y h LYS 522 Cb 0.45 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 1r0y h LYS 522 CO -0.35 0.92 -0.28 0.00 -2.27 0.00 0.00 179.45 177.47 1r0y h ALA 523 N 0.46 1.12 -0.12 5.00 0.00 -0.96 -2.23 119.26 122.52 1r0y h ALA 523 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1r0y h ALA 523 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1r0y h ALA 523 CO 0.07 0.35 0.00 0.00 0.00 0.00 0.00 179.25 179.67 1r0y n GLN 525 N -0.16 -6.92 0.02 0.00 1.13 -0.84 -4.84 117.38 105.77 1r0y n GLN 525 Ca 0.06 0.76 0.11 0.00 -1.94 0.00 0.00 57.00 55.99 1r0y n GLN 525 Cb 0.12 -5.73 0.03 0.00 0.11 0.00 0.00 30.24 24.76 1r0y n GLN 525 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1r0y n LEU 526 N -4.73 0.62 -0.30 1.08 4.77 -0.68 -3.97 117.00 113.78 1r0y n LEU 526 Ca -0.06 -0.03 -0.04 0.00 -0.03 0.00 0.00 56.01 55.85 1r0y n LEU 526 Cb 0.58 -0.10 0.08 0.00 -2.33 0.00 0.00 43.42 41.64 1r0y n LEU 526 CO 0.67 0.05 1.20 -0.61 -1.33 0.00 0.00 177.39 177.37 1r0y h GLN 527 N 0.00 1.10 -0.07 3.23 5.75 -1.85 0.20 115.11 123.47 1r0y h GLN 527 Ca 0.00 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 1r0y h GLN 527 Cb 0.71 -0.24 -0.01 0.00 1.07 0.00 0.00 27.48 29.02 1r0y h GLN 527 CO 0.00 0.76 -0.12 1.96 -2.65 0.00 0.00 178.83 178.78 1r0y h GLN 528 N 1.12 0.11 0.10 1.69 7.50 -1.95 -2.45 115.11 121.23 1r0y h GLN 528 Ca 0.30 -0.02 -0.00 0.00 0.50 0.00 0.00 58.65 59.42 1r0y h GLN 528 Cb -0.08 -0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.43 1r0y h GLN 528 CO -0.06 0.24 -0.05 -0.44 -1.50 0.00 0.00 178.83 177.02 1r0y h ASP 529 N 0.11 -0.11 1.08 1.46 3.32 -1.26 -3.35 116.42 117.66 1r0y h ASP 529 Ca 0.02 -0.46 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1r0y h ASP 529 Cb 0.28 0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1r0y h ASP 529 CO 0.02 0.46 0.00 0.16 -1.72 0.00 0.00 179.24 178.16 1r0y h ILE 530 N -0.75 0.00 0.00 0.35 3.07 -0.46 -1.25 117.51 118.46 1r0y h ILE 530 Ca -0.01 -0.47 0.00 0.00 1.55 0.00 0.00 64.86 65.93 1r0y h ILE 530 Cb 0.56 1.37 0.00 0.00 -0.27 0.00 0.00 36.82 38.49 1r0y h ILE 530 CO 0.02 0.00 0.00 1.07 -1.05 0.00 0.00 178.15 178.19 1r0y n THR 531 N -2.72 0.74 1.50 0.16 5.66 -0.94 -1.79 114.28 116.89 1r0y n THR 531 Ca 0.02 0.13 0.14 0.00 -3.05 0.00 0.00 64.05 61.29 1r0y n THR 531 Cb 0.32 -0.93 0.61 0.00 -1.55 0.00 0.00 70.33 68.77 1r0y n THR 531 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 1r0y n LYS 532 N -1.87 1.02 -4.29 1.09 5.02 -0.47 -4.89 118.16 113.76 1r0y n LYS 532 Ca 0.04 -0.43 -0.32 0.00 -2.02 0.00 0.00 58.31 55.58 1r0y n LYS 532 Cb 0.25 -1.49 -0.09 0.00 -0.02 0.00 0.00 35.03 33.68 1r0y n LYS 532 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 1r0y s PHE 533 N -2.28 3.01 0.26 2.13 2.99 -0.74 -5.02 117.98 118.32 1r0y s PHE 533 Ca 0.34 0.03 -0.04 0.00 0.00 0.00 0.00 56.93 57.25 1r0y s PHE 533 Cb 0.20 -1.62 0.33 0.00 0.00 0.00 0.00 43.02 41.93 1r0y s PHE 533 CO 0.43 0.44 1.90 0.00 -0.00 0.00 0.00 175.22 177.99 1r0y h ALA 534 N 4.18 1.32 -0.62 5.36 0.00 -1.90 -2.50 119.26 125.09 1r0y h ALA 534 Ca -0.49 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1r0y h ALA 534 Cb 1.17 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1r0y h ALA 534 CO 0.57 0.54 0.00 0.39 0.00 0.00 0.00 179.25 180.75 1r0y n GLU 535 N -4.45 2.83 0.00 0.00 -0.58 -1.26 -5.04 120.64 112.14 1r0y n GLU 535 Ca 0.13 -2.52 0.00 0.00 -0.42 0.00 0.00 57.16 54.36 1r0y n GLU 535 Cb 0.10 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.46 1r0y n GLU 535 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1r0y n GLN 536 N 1.29 0.00 0.00 3.49 6.02 -0.95 0.24 117.38 127.47 1r0y n GLN 536 Ca 0.21 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.28 1r0y n GLN 536 Cb 0.59 0.00 0.45 0.00 1.02 0.00 0.00 30.24 32.29 1r0y n GLN 536 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1r0y n ASP 537 N 3.54 0.00 -0.96 1.08 5.75 -1.26 -1.76 116.55 122.94 1r0y n ASP 537 Ca 0.00 -0.97 0.09 0.00 -0.01 0.00 0.00 54.79 53.90 1r0y n ASP 537 Cb 0.00 0.00 0.24 0.00 -1.03 0.00 0.00 41.12 40.33 1r0y n ASP 537 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1r0y n ASN 538 N -0.83 2.78 -4.73 -1.12 5.03 0.14 -1.45 115.26 115.08 1r0y n ASN 538 Ca 0.11 -1.97 -0.42 0.00 0.87 0.00 0.00 54.58 53.17 1r0y n ASN 538 Cb 0.05 -0.32 -0.03 0.00 -1.02 0.00 0.00 39.78 38.46 1r0y n ASN 538 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1r0y s THR 539 N -1.35 2.98 -0.01 3.41 2.01 -0.73 -4.78 115.64 117.18 1r0y s THR 539 Ca 0.35 0.76 -0.30 0.00 0.31 0.00 0.00 61.69 62.81 1r0y s THR 539 Cb 0.19 -3.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 1r0y s THR 539 CO 0.25 0.09 1.03 -0.69 -0.69 0.00 0.00 174.62 174.61 1r0y s VAL 540 N 0.59 4.68 -0.06 3.82 1.01 -1.26 -1.73 120.40 127.44 1r0y s VAL 540 Ca 0.62 1.93 -0.00 0.00 0.00 0.00 0.00 61.98 64.53 1r0y s VAL 540 Cb -0.39 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.72 1r0y s VAL 540 CO 0.36 0.12 -0.03 -0.76 0.00 0.00 0.00 175.10 174.79 1r0y s LEU 541 N 1.24 3.40 0.54 3.92 1.43 -0.95 -4.98 118.68 123.28 1r0y s LEU 541 Ca 0.53 0.05 -0.16 0.00 -1.03 0.00 0.00 54.13 53.52 1r0y s LEU 541 Cb -0.22 -1.80 -0.07 0.00 0.03 0.00 0.00 46.19 44.13 1r0y s LEU 541 CO 0.26 0.35 1.01 -0.83 0.23 0.00 0.00 176.35 177.37 1r0y s GLY 542 N -0.98 2.07 1.11 -3.19 0.00 -1.26 -3.32 107.32 101.75 1r0y s GLY 542 Ca 0.14 0.23 -0.12 0.00 0.00 0.00 0.00 44.72 44.97 1r0y s GLY 542 CO 0.03 0.52 1.05 1.85 0.00 0.00 0.00 173.10 176.56 1r0y s GLU 543 N -4.11 -0.53 0.00 2.90 2.56 -1.26 0.30 118.70 118.56 1r0y s GLU 543 Ca 0.60 1.00 0.00 0.00 0.00 0.00 0.00 54.97 56.57 1r0y s GLU 543 Cb -0.12 -1.59 0.00 0.00 2.00 0.00 0.00 34.13 34.43 1r0y s GLU 543 CO 0.34 -3.51 0.00 0.41 -0.56 0.00 0.00 175.26 171.94 1r0y n GLY 544 N 0.68 0.00 3.78 -1.50 0.00 -1.18 -4.28 105.19 102.69 1r0y n GLY 544 Ca 0.05 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.89 1r0y n GLY 544 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1r0y n GLY 545 N -1.30 -0.34 0.24 -0.02 0.00 0.86 -4.79 105.19 99.84 1r0y n GLY 545 Ca 0.00 0.14 0.14 0.00 0.00 0.00 0.00 46.02 46.30 1r0y n GLY 545 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1r0y h VAL 546 N 0.85 0.01 -0.00 1.61 3.04 -1.74 -2.83 116.25 117.18 1r0y h VAL 546 Ca -0.27 -0.84 0.00 0.00 -1.01 0.00 0.00 66.70 64.57 1r0y h VAL 546 Cb 0.54 1.83 0.00 0.00 -2.01 0.00 0.00 31.29 31.66 1r0y h VAL 546 CO 0.19 0.00 -0.08 0.35 -1.01 0.00 0.00 177.57 177.02 1r0y n THR 547 N -3.10 0.00 -1.56 3.17 -2.24 -1.26 -4.90 114.28 104.39 1r0y n THR 547 Ca 0.03 -0.02 -0.30 0.00 -2.27 0.00 0.00 64.05 61.49 1r0y n THR 547 Cb 0.45 -0.30 0.09 0.00 -2.10 0.00 0.00 70.33 68.47 1r0y n THR 547 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1r0y s LEU 548 N -2.71 2.61 0.66 3.22 1.02 -1.07 -5.07 118.68 117.34 1r0y s LEU 548 Ca 0.23 1.30 -0.11 0.00 0.02 0.00 0.00 54.13 55.57 1r0y s LEU 548 Cb 0.20 -3.92 -0.01 0.00 0.02 0.00 0.00 46.19 42.47 1r0y s LEU 548 CO 0.51 -1.95 1.05 -0.94 0.02 0.00 0.00 176.35 175.03 1r0y s SER 549 N -3.92 5.76 0.27 2.29 1.04 -1.26 -4.91 113.70 112.97 1r0y s SER 549 Ca 0.61 1.51 -0.01 0.00 0.48 0.00 0.00 55.95 58.54 1r0y s SER 549 Cb -0.14 -2.46 0.60 0.00 0.10 0.00 0.00 66.02 64.12 1r0y s SER 549 CO 0.54 -1.18 1.68 1.23 0.98 0.00 0.00 173.24 176.49 1r0y h GLY 550 N -0.54 1.27 1.14 7.32 0.00 -1.97 -1.50 103.07 108.79 1r0y h GLY 550 Ca -0.44 -0.09 -0.11 0.00 0.00 0.00 0.00 47.33 46.69 1r0y h GLY 550 CO 0.59 -0.25 -0.11 -1.33 0.00 0.00 0.00 176.54 175.44 1r0y h GLY 551 N 0.31 1.09 0.99 4.60 0.00 -1.96 0.07 103.07 108.17 1r0y h GLY 551 Ca 0.49 -0.88 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1r0y h GLY 551 CO -0.54 0.80 0.20 1.46 0.00 0.00 0.00 176.54 178.46 1r0y h GLN 552 N 0.90 0.42 -0.72 4.80 4.20 -1.85 0.13 115.11 122.98 1r0y h GLN 552 Ca 0.14 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 1r0y h GLN 552 Cb 0.67 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 1r0y h GLN 552 CO 0.05 0.30 0.20 0.00 -0.67 0.00 0.00 178.83 178.70 1r0y h ARG 553 N 0.41 1.14 -0.06 1.46 3.08 -1.06 -2.47 114.38 116.88 1r0y h ARG 553 Ca 0.11 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 59.78 1r0y h ARG 553 Cb -0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 1r0y h ARG 553 CO -0.02 0.99 -0.51 0.00 -1.07 0.00 0.00 179.97 179.36 1r0y h ALA 554 N 1.10 1.03 -0.03 0.04 0.00 -0.55 -1.41 119.26 119.44 1r0y h ALA 554 Ca 0.23 -0.48 -0.20 0.00 0.00 0.00 0.00 54.91 54.47 1r0y h ALA 554 Cb 0.35 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1r0y h ALA 554 CO -0.00 0.66 -0.82 0.00 0.00 0.00 0.00 179.25 179.08 1r0y h ARG 555 N 0.14 0.34 -0.22 0.00 3.08 -0.41 0.48 114.38 117.79 1r0y h ARG 555 Ca 0.00 -0.32 -0.08 0.00 0.07 0.00 0.00 59.98 59.65 1r0y h ARG 555 Cb 0.95 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.07 1r0y h ARG 555 CO 0.08 0.99 -0.18 0.82 -1.07 0.00 0.00 179.97 180.61 1r0y h ILE 556 N 0.21 1.32 -0.00 2.04 2.04 -1.27 0.85 117.51 122.70 1r0y h ILE 556 Ca -0.05 -1.31 -0.13 0.00 1.00 0.00 0.00 64.86 64.37 1r0y h ILE 556 Cb 1.42 1.70 -0.02 0.00 -0.74 0.00 0.00 36.82 39.18 1r0y h ILE 556 CO 0.14 0.40 -0.59 0.77 0.00 0.00 0.00 178.15 178.87 1r0y h SER 557 N 0.19 0.02 -0.53 1.72 4.64 -1.15 -0.14 113.55 118.30 1r0y h SER 557 Ca 0.04 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.33 1r0y h SER 557 Cb 0.71 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 1r0y h SER 557 CO 0.05 0.61 0.25 0.25 -0.87 0.00 0.00 176.83 177.11 1r0y h LEU 558 N 0.01 0.70 -1.23 5.97 6.46 0.07 -2.55 115.31 124.74 1r0y h LEU 558 Ca -0.01 -0.13 -0.05 0.00 -0.12 0.00 0.00 57.88 57.57 1r0y h LEU 558 Cb 1.05 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.78 1r0y h LEU 558 CO 0.08 0.64 -0.02 0.00 -0.62 0.00 0.00 178.44 178.52 1r0y h ALA 559 N 1.09 1.37 -0.22 1.25 0.00 0.15 -0.63 119.26 122.26 1r0y h ALA 559 Ca 0.18 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1r0y h ALA 559 Cb 0.13 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1r0y h ALA 559 CO -0.02 0.44 -0.04 -0.09 0.00 0.00 0.00 179.25 179.53 1r0y h ARG 560 N 0.48 0.43 -0.63 0.00 2.43 -0.94 -1.09 114.38 115.05 1r0y h ARG 560 Ca 0.10 -0.16 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 1r0y h ARG 560 Cb 0.35 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 1r0y h ARG 560 CO 0.01 0.66 0.03 0.00 -1.51 0.00 0.00 179.97 179.16 1r0y h ALA 561 N 0.76 0.85 -0.02 2.80 0.00 -1.00 -2.86 119.26 119.79 1r0y h ALA 561 Ca 0.06 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 1r0y h ALA 561 Cb 0.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1r0y h ALA 561 CO 0.02 0.67 -0.48 0.28 0.00 0.00 0.00 179.25 179.74 1r0y h VAL 562 N 1.00 1.35 -0.18 0.00 2.07 -1.08 -3.17 116.25 116.23 1r0y h VAL 562 Ca 0.18 -1.66 -0.15 0.00 0.82 0.00 0.00 66.70 65.90 1r0y h VAL 562 Cb 0.53 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 1r0y h VAL 562 CO 0.03 0.48 -0.50 0.22 0.02 0.00 0.00 177.57 177.81 1r0y h TYR 563 N 0.03 0.59 -1.64 1.57 3.20 -1.10 -3.43 116.97 116.19 1r0y h TYR 563 Ca -0.00 -0.20 -0.69 0.00 3.14 0.00 0.00 58.73 60.98 1r0y h TYR 563 Cb 0.86 -0.12 0.05 0.00 1.54 0.00 0.00 36.73 39.07 1r0y h TYR 563 CO 0.00 0.89 0.45 1.63 -1.64 0.00 0.00 178.16 179.50 1r0y n LYS 564 N -3.97 1.09 -2.73 1.82 5.02 -1.09 -4.95 118.16 113.35 1r0y n LYS 564 Ca -0.02 0.39 -0.43 0.00 -2.02 0.00 0.00 58.31 56.23 1r0y n LYS 564 Cb 0.57 -2.03 -0.03 0.00 -0.02 0.00 0.00 35.03 33.52 1r0y n LYS 564 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1r0y s ASP 565 N 0.60 6.59 0.16 4.39 3.68 -1.26 -5.00 116.67 125.83 1r0y s ASP 565 Ca 0.85 0.36 -0.10 0.00 2.13 0.00 0.00 52.55 55.79 1r0y s ASP 565 Cb -0.98 -2.49 -0.00 0.00 -1.45 0.00 0.00 42.92 38.00 1r0y s ASP 565 CO 0.48 -1.08 0.31 0.00 0.13 0.00 0.00 175.17 175.01 1r0y s ALA 566 N 3.95 -0.13 -0.32 3.66 0.00 -1.26 -4.92 121.76 122.74 1r0y s ALA 566 Ca 0.41 -0.79 0.23 0.00 0.00 0.00 0.00 51.96 51.82 1r0y s ALA 566 Cb -0.09 0.84 0.01 0.00 0.00 0.00 0.00 23.12 23.87 1r0y s ALA 566 CO 0.26 -0.66 1.01 -0.25 0.00 0.00 0.00 175.76 176.12 1r0y n ASP 567 N -0.22 0.69 -3.80 0.00 8.00 0.08 -4.87 116.55 116.44 1r0y n ASP 567 Ca -0.08 0.18 -0.16 0.00 0.71 0.00 0.00 54.79 55.43 1r0y n ASP 567 Cb 0.63 0.65 -0.16 0.00 -0.02 0.00 0.00 41.12 42.22 1r0y n ASP 567 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1r0y s LEU 568 N -4.90 1.10 -0.21 0.64 2.96 -1.03 -4.02 118.68 113.22 1r0y s LEU 568 Ca 0.00 -0.00 -0.05 0.00 -0.22 0.00 0.00 54.13 53.86 1r0y s LEU 568 Cb 0.11 -0.17 -0.02 0.00 0.50 0.00 0.00 46.19 46.61 1r0y s LEU 568 CO 0.80 -0.12 -0.01 -0.31 -1.32 0.00 0.00 176.35 175.40 1r0y s TYR 569 N 1.08 3.02 -0.28 5.38 1.51 -0.52 -1.12 117.35 126.42 1r0y s TYR 569 Ca -0.09 -0.58 -0.06 0.00 -1.01 0.00 0.00 57.07 55.32 1r0y s TYR 569 Cb -0.13 -2.10 0.00 0.00 -0.11 0.00 0.00 41.96 39.62 1r0y s TYR 569 CO -0.02 -0.33 0.06 -0.51 -1.11 0.00 0.00 175.55 173.64 1r0y s LEU 570 N 1.18 3.69 -0.30 -1.29 1.43 0.85 0.06 118.68 124.30 1r0y s LEU 570 Ca 0.03 -0.63 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 1r0y s LEU 570 Cb -0.14 -1.87 0.09 0.00 0.03 0.00 0.00 46.19 44.30 1r0y s LEU 570 CO 0.01 -0.16 0.03 -0.76 0.23 0.00 0.00 176.35 175.70 1r0y s LEU 571 N 1.50 3.57 -0.76 1.79 1.02 0.32 -0.23 118.68 125.90 1r0y s LEU 571 Ca 0.03 -1.77 -0.20 0.00 0.02 0.00 0.00 54.13 52.22 1r0y s LEU 571 Cb -0.17 -1.34 0.11 0.00 0.02 0.00 0.00 46.19 44.81 1r0y s LEU 571 CO 0.02 -0.34 0.97 -0.62 0.02 0.00 0.00 176.35 176.39 1r0y s ASP 572 N 1.20 6.37 -1.32 2.29 -1.08 -0.02 -1.14 116.67 122.97 1r0y s ASP 572 Ca 0.06 -1.55 -0.03 0.00 -0.52 0.00 0.00 52.55 50.50 1r0y s ASP 572 Cb -0.19 -2.38 -0.00 0.00 -1.46 0.00 0.00 42.92 38.89 1r0y s ASP 572 CO -0.12 -1.20 0.60 -1.20 0.52 0.00 0.00 175.17 173.77 1r0y n SER 573 N 6.86 -1.47 0.27 -0.34 7.64 -0.96 -2.80 113.62 122.81 1r0y n SER 573 Ca 0.07 -0.92 0.10 0.00 1.01 0.00 0.00 58.87 59.12 1r0y n SER 573 Cb 0.46 -3.57 0.71 0.00 -1.01 0.00 0.00 64.21 60.80 1r0y n SER 573 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1r0y h PRO 574 N -1.84 0.00 -2.89 1.43 0.13 -1.81 -3.38 132.00 123.64 1r0y h PRO 574 Ca -0.63 0.00 -0.76 0.00 -0.87 0.00 0.00 66.00 63.74 1r0y h PRO 574 Cb 1.36 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.18 1r0y h PRO 574 CO 0.57 0.02 0.42 1.19 -0.23 0.00 0.00 178.00 179.97 1r0y n PHE 575 N -4.27 3.03 -0.60 1.56 3.72 -1.26 -4.58 117.46 115.05 1r0y n PHE 575 Ca -0.03 -3.16 0.00 0.00 -0.05 0.00 0.00 57.45 54.21 1r0y n PHE 575 Cb 0.11 -1.17 0.00 0.00 -0.94 0.00 0.00 39.48 37.48 1r0y n PHE 575 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1r0y n GLY 576 N 1.47 -0.54 3.96 1.37 0.00 -1.26 -4.86 105.19 105.34 1r0y n GLY 576 Ca 0.26 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 1r0y n GLY 576 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r0y s TYR 577 N -0.34 1.93 0.29 1.61 2.02 -1.26 -4.41 117.35 117.19 1r0y s TYR 577 Ca 0.00 -0.67 0.02 0.00 -0.37 0.00 0.00 57.07 56.05 1r0y s TYR 577 Cb 0.00 -2.13 0.44 0.00 -0.40 0.00 0.00 41.96 39.86 1r0y s TYR 577 CO 0.00 -0.64 1.77 -0.07 -1.57 0.00 0.00 175.55 175.05 1r0y h LEU 578 N 0.59 0.57 -6.63 -1.29 3.38 -1.98 -3.38 115.31 106.57 1r0y h LEU 578 Ca -0.36 -0.15 -0.63 0.00 0.09 0.00 0.00 57.88 56.83 1r0y h LEU 578 Cb 1.29 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1r0y h LEU 578 CO 0.50 0.72 2.40 -0.90 0.09 0.00 0.00 178.44 181.25 1r0y n ASP 579 N -4.19 3.20 0.09 -0.43 3.85 -1.26 -4.74 116.55 113.07 1r0y n ASP 579 Ca 0.01 -2.75 -0.03 0.00 -0.71 0.00 0.00 54.79 51.30 1r0y n ASP 579 Cb 0.33 -1.41 0.17 0.00 -1.35 0.00 0.00 41.12 38.87 1r0y n ASP 579 CO 0.00 0.00 0.00 0.58 -1.01 0.00 0.00 177.20 176.77 1r0y h VAL 580 N 4.63 1.35 -0.35 2.12 2.07 -1.98 -2.49 116.25 121.59 1r0y h VAL 580 Ca 0.45 -1.75 -0.15 0.00 0.82 0.00 0.00 66.70 66.07 1r0y h VAL 580 Cb 0.71 1.84 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1r0y h VAL 580 CO 1.81 0.52 -0.36 -0.26 0.02 0.00 0.00 177.57 179.29 1r0y h PHE 581 N 0.18 0.98 -0.22 1.57 0.05 -1.96 -2.09 116.94 115.46 1r0y h PHE 581 Ca 0.01 -0.28 0.02 0.00 3.82 0.00 0.00 57.97 61.54 1r0y h PHE 581 Cb 0.96 -0.21 -0.02 0.00 2.00 0.00 0.00 35.95 38.67 1r0y h PHE 581 CO 0.02 1.06 0.07 1.15 -0.18 0.00 0.00 178.31 180.43 1r0y h THR 582 N 0.68 0.94 -0.71 -1.55 2.02 -1.92 -2.44 112.91 109.93 1r0y h THR 582 Ca 0.06 -0.06 0.07 0.00 0.77 0.00 0.00 66.41 67.26 1r0y h THR 582 Cb 0.93 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 68.05 1r0y h THR 582 CO 0.09 0.03 0.47 -0.33 0.37 0.00 0.00 175.52 176.14 1r0y h GLU 583 N 0.17 0.68 -0.51 6.66 5.08 -1.20 0.81 114.58 126.27 1r0y h GLU 583 Ca 0.09 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1r0y h GLU 583 Cb 0.06 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1r0y h GLU 583 CO -0.10 0.45 -0.07 0.93 -1.00 0.00 0.00 179.01 179.21 1r0y h GLU 584 N 0.70 0.92 -0.04 2.33 5.08 -1.23 -0.19 114.58 122.15 1r0y h GLU 584 Ca 0.31 -0.31 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1r0y h GLU 584 Cb 0.32 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 1r0y h GLU 584 CO -0.11 0.96 -0.84 1.96 -1.00 0.00 0.00 179.01 179.99 1r0y h GLN 585 N 0.83 0.39 0.02 2.33 4.20 -0.67 -2.49 115.11 119.73 1r0y h GLN 585 Ca 0.14 -0.37 -0.00 0.00 0.06 0.00 0.00 58.65 58.48 1r0y h GLN 585 Cb 0.60 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1r0y h GLN 585 CO 0.04 1.03 -0.01 0.28 -0.67 0.00 0.00 178.83 179.50 1r0y h VAL 586 N 0.24 1.10 -0.73 -0.54 2.07 -0.70 0.22 116.25 117.91 1r0y h VAL 586 Ca -0.05 -0.36 0.10 0.00 0.82 0.00 0.00 66.70 67.21 1r0y h VAL 586 Cb 1.45 1.34 -0.08 0.00 -1.52 0.00 0.00 31.29 32.48 1r0y h VAL 586 CO 0.14 0.09 0.35 0.15 0.02 0.00 0.00 177.57 178.33 1r0y h PHE 587 N -0.18 0.63 -0.04 1.57 3.04 -1.04 0.28 116.94 121.20 1r0y h PHE 587 Ca -0.00 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 61.95 1r0y h PHE 587 Cb 0.17 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1r0y h PHE 587 CO -0.02 0.20 -0.09 1.49 -2.02 0.00 0.00 178.31 177.87 1r0y h GLU 588 N 0.58 0.13 -0.03 1.11 4.81 -1.22 0.28 114.58 120.24 1r0y h GLU 588 Ca 0.37 -0.09 -0.23 0.00 -0.13 0.00 0.00 59.36 59.28 1r0y h GLU 588 Cb 0.42 0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.82 1r0y h GLU 588 CO -0.29 0.67 -0.93 0.77 -0.73 0.00 0.00 179.01 178.50 1r0y h SER 589 N -0.40 0.68 0.00 1.04 0.02 -0.79 -2.43 113.55 111.67 1r0y h SER 589 Ca 0.00 -0.52 -0.07 0.00 -0.84 0.00 0.00 61.79 60.36 1r0y h SER 589 Cb 0.67 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 1r0y h SER 589 CO 0.02 1.31 -0.86 0.00 -1.14 0.00 0.00 176.83 176.15 1r0y h VAL 591 N -1.00 1.43 0.13 0.00 2.07 -1.39 -1.64 116.25 115.85 1r0y h VAL 591 Ca -0.11 -1.76 -0.29 0.00 0.82 0.00 0.00 66.70 65.37 1r0y h VAL 591 Cb 0.81 2.37 0.02 0.00 -1.52 0.00 0.00 31.29 32.97 1r0y h VAL 591 CO -0.06 0.51 -1.23 0.00 0.02 0.00 0.00 177.57 176.80 1r0y n LYS 593 N -3.69 0.19 -0.34 0.00 5.02 -0.92 -3.61 118.16 114.81 1r0y n LYS 593 Ca -0.11 0.07 0.10 0.00 -2.02 0.00 0.00 58.31 56.35 1r0y n LYS 593 Cb 0.99 -0.78 0.30 0.00 -0.02 0.00 0.00 35.03 35.52 1r0y n LYS 593 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1r0y h LEU 594 N -0.36 0.82 -2.07 -0.35 5.85 -1.42 -1.16 115.31 116.63 1r0y h LEU 594 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1r0y h LEU 594 Cb 0.36 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1r0y h LEU 594 CO 0.00 0.39 0.00 0.23 -0.34 0.00 0.00 178.44 178.72 1r0y n MET 595 N -4.64 2.33 -0.43 1.25 2.81 -0.62 -4.59 117.12 113.24 1r0y n MET 595 Ca 0.20 -2.03 0.37 0.00 -1.81 0.00 0.00 57.70 54.43 1r0y n MET 595 Cb 0.44 -1.47 0.71 0.00 -0.71 0.00 0.00 33.22 32.19 1r0y n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1r0y h ALA 596 N 4.26 3.07 -0.35 3.04 0.00 -1.26 0.38 119.26 128.39 1r0y h ALA 596 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r0y h ALA 596 Cb 0.82 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.73 1r0y h ALA 596 CO 0.00 -1.52 0.00 0.09 0.00 0.00 0.00 179.25 177.82 1r0y n ASN 597 N -4.29 3.03 -4.77 0.00 3.02 -1.26 -4.77 115.26 106.21 1r0y n ASN 597 Ca 0.32 -1.90 -0.36 0.00 -0.03 0.00 0.00 54.58 52.61 1r0y n ASN 597 Cb 1.39 -0.23 -0.07 0.00 -0.61 0.00 0.00 39.78 40.25 1r0y n ASN 597 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1r0y s LYS 598 N -1.11 4.01 0.34 3.52 -0.14 0.13 -4.00 119.74 122.49 1r0y s LYS 598 Ca 0.29 -0.06 -0.29 0.00 -1.36 0.00 0.00 55.97 54.55 1r0y s LYS 598 Cb 0.16 -3.35 -0.11 0.00 -1.68 0.00 0.00 37.83 32.85 1r0y s LYS 598 CO 0.22 0.43 1.47 0.99 -0.76 0.00 0.00 175.35 177.69 1r0y s THR 599 N -0.05 2.24 -0.12 2.17 2.01 -1.26 -4.48 115.64 116.15 1r0y s THR 599 Ca 0.13 0.23 -0.25 0.00 0.31 0.00 0.00 61.69 62.11 1r0y s THR 599 Cb -0.12 -3.15 0.06 0.00 0.01 0.00 0.00 72.50 69.30 1r0y s THR 599 CO 0.02 0.05 0.61 0.00 -0.69 0.00 0.00 174.62 174.61 1r0y s ARG 600 N -1.57 0.87 -0.11 4.92 1.70 -0.43 -1.45 118.95 122.89 1r0y s ARG 600 Ca 0.55 0.44 0.01 0.00 -0.47 0.00 0.00 55.73 56.26 1r0y s ARG 600 Cb -0.45 0.41 0.02 0.00 -0.57 0.00 0.00 34.95 34.36 1r0y s ARG 600 CO 0.56 -0.21 -0.14 0.42 -1.08 0.00 0.00 175.30 174.86 1r0y s ILE 601 N -0.59 1.42 -0.27 4.99 1.01 0.11 -1.43 121.20 126.43 1r0y s ILE 601 Ca -0.07 -0.58 -0.02 0.00 0.00 0.00 0.00 60.65 59.98 1r0y s ILE 601 Cb -0.03 -1.32 0.04 0.00 0.01 0.00 0.00 42.46 41.16 1r0y s ILE 601 CO 0.05 0.43 -0.03 -0.22 0.00 0.00 0.00 174.94 175.17 1r0y s LEU 602 N 1.13 3.49 0.24 2.97 2.96 -0.23 -0.52 118.68 128.72 1r0y s LEU 602 Ca -0.04 -1.04 -0.25 0.00 -0.22 0.00 0.00 54.13 52.58 1r0y s LEU 602 Cb -0.14 -1.69 -0.09 0.00 0.50 0.00 0.00 46.19 44.77 1r0y s LEU 602 CO -0.03 -0.18 0.85 -0.69 -1.32 0.00 0.00 176.35 174.97 1r0y s VAL 603 N 1.30 4.32 0.06 1.68 1.01 -0.29 -1.66 120.40 126.81 1r0y s VAL 603 Ca -0.02 1.70 -0.26 0.00 0.00 0.00 0.00 61.98 63.40 1r0y s VAL 603 Cb -0.18 -4.06 0.09 0.00 0.00 0.00 0.00 36.38 32.23 1r0y s VAL 603 CO -0.03 0.32 0.74 0.28 0.00 0.00 0.00 175.10 176.40 1r0y s THR 604 N -1.40 0.00 -0.09 3.92 -1.32 0.69 -2.27 115.64 115.17 1r0y s THR 604 Ca 0.43 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 61.12 1r0y s THR 604 Cb -0.20 -1.00 0.43 0.00 -1.51 0.00 0.00 72.50 70.22 1r0y s THR 604 CO 0.25 0.00 1.18 -1.54 -2.21 0.00 0.00 174.62 172.30 1r0y n SER 605 N -0.17 1.35 -4.34 8.08 3.41 -1.26 -4.20 113.62 116.49 1r0y n SER 605 Ca -0.14 -2.63 -0.32 0.00 -0.26 0.00 0.00 58.87 55.53 1r0y n SER 605 Cb 0.63 -0.38 -0.15 0.00 -0.26 0.00 0.00 64.21 64.05 1r0y n SER 605 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1r0y s LYS 606 N -1.28 2.76 0.20 4.33 1.02 -1.26 -4.79 119.74 120.71 1r0y s LYS 606 Ca 0.35 -0.80 0.09 0.00 0.02 0.00 0.00 55.97 55.63 1r0y s LYS 606 Cb 0.38 -2.33 0.07 0.00 -0.52 0.00 0.00 37.83 35.43 1r0y s LYS 606 CO -0.13 0.39 1.44 0.52 -0.92 0.00 0.00 175.35 176.66 1r0y h MET 607 N 6.06 0.00 -0.77 1.68 2.86 -1.95 -2.10 114.93 120.71 1r0y h MET 607 Ca -0.33 -0.01 0.22 0.00 -2.06 0.00 0.00 59.70 57.52 1r0y h MET 607 Cb 1.18 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.81 1r0y h MET 607 CO 0.50 0.81 0.56 1.49 1.06 0.00 0.00 176.91 181.33 1r0y h GLU 608 N 0.00 0.01 0.02 1.72 4.57 -1.98 0.38 114.58 119.30 1r0y h GLU 608 Ca -0.01 -0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.96 1r0y h GLU 608 Cb 1.43 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 30.00 1r0y h GLU 608 CO 0.11 0.01 -1.00 0.45 -1.18 0.00 0.00 179.01 177.39 1r0y h HIS 609 N 0.01 0.12 -0.22 0.92 3.86 -1.80 -0.97 115.15 117.07 1r0y h HIS 609 Ca 0.37 -0.08 -0.19 0.00 -1.16 0.00 0.00 60.37 59.30 1r0y h HIS 609 Cb 1.46 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.93 1r0y h HIS 609 CO -0.00 1.02 -0.62 -0.07 0.86 0.00 0.00 177.93 179.12 1r0y h LEU 610 N 0.03 0.86 -1.13 2.43 4.07 -1.20 -1.62 115.31 118.75 1r0y h LEU 610 Ca -0.04 -0.49 0.01 0.00 0.08 0.00 0.00 57.88 57.44 1r0y h LEU 610 Cb 1.72 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 43.17 1r0y h LEU 610 CO 0.14 1.27 0.57 -0.09 -1.08 0.00 0.00 178.44 179.25 1r0y h ARG 611 N 0.56 1.15 -0.01 1.13 2.43 -0.59 -2.20 114.38 116.85 1r0y h ARG 611 Ca -0.01 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1r0y h ARG 611 Cb 1.22 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1r0y h ARG 611 CO 0.13 0.77 -0.24 1.63 -1.51 0.00 0.00 179.97 180.75 1r0y n LYS 612 N -4.40 1.04 -2.22 0.20 4.76 -0.41 -4.91 118.16 112.23 1r0y n LYS 612 Ca 0.10 -0.66 -0.34 0.00 -2.87 0.00 0.00 58.31 54.54 1r0y n LYS 612 Cb 0.03 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.73 1r0y n LYS 612 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1r0y s ALA 613 N -2.41 2.70 0.12 7.82 0.00 -0.61 -4.94 121.76 124.44 1r0y s ALA 613 Ca 0.26 0.69 -0.10 0.00 0.00 0.00 0.00 51.96 52.81 1r0y s ALA 613 Cb 0.19 -3.32 -0.10 0.00 0.00 0.00 0.00 23.12 19.90 1r0y s ALA 613 CO 0.49 -0.76 1.34 -0.44 0.00 0.00 0.00 175.76 176.40 1r0y h ASP 614 N 1.01 0.83 -4.37 0.00 3.32 -1.19 -3.43 116.42 112.59 1r0y h ASP 614 Ca -0.49 -0.54 -0.31 0.00 0.02 0.00 0.00 57.03 55.71 1r0y h ASP 614 Cb 1.25 -0.24 -0.15 0.00 0.22 0.00 0.00 39.33 40.41 1r0y h ASP 614 CO 0.57 1.33 -0.66 -0.54 -1.72 0.00 0.00 179.24 178.22 1r0y s LYS 615 N -3.71 1.17 -0.06 3.56 -0.14 -0.63 -4.68 119.74 115.25 1r0y s LYS 615 Ca -0.09 -1.57 -0.06 0.00 -1.36 0.00 0.00 55.97 52.89 1r0y s LYS 615 Cb 0.09 -0.34 0.02 0.00 -1.68 0.00 0.00 37.83 35.91 1r0y s LYS 615 CO 0.89 -0.13 0.16 0.42 -0.76 0.00 0.00 175.35 175.93 1r0y s ILE 616 N -3.61 0.00 -0.08 2.17 1.01 0.39 -1.67 121.20 119.41 1r0y s ILE 616 Ca 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 60.65 60.89 1r0y s ILE 616 Cb 0.06 -0.24 0.03 0.00 0.01 0.00 0.00 42.46 42.32 1r0y s ILE 616 CO 0.05 -0.01 -0.03 -0.22 0.00 0.00 0.00 174.94 174.74 1r0y s LEU 617 N 0.07 0.82 -0.18 2.97 0.20 0.58 -1.73 118.68 121.41 1r0y s LEU 617 Ca -0.00 -0.16 -0.05 0.00 0.69 0.00 0.00 54.13 54.60 1r0y s LEU 617 Cb -0.01 -0.58 -0.03 0.00 -0.43 0.00 0.00 46.19 45.14 1r0y s LEU 617 CO 0.00 -0.16 0.00 -0.63 -0.29 0.00 0.00 176.35 175.27 1r0y s ILE 618 N 1.85 4.16 0.03 6.68 1.01 -0.40 -1.37 121.20 133.15 1r0y s ILE 618 Ca 0.04 -0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.47 1r0y s ILE 618 Cb -0.12 -2.86 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1r0y s ILE 618 CO -0.06 0.46 -0.02 -0.76 0.00 0.00 0.00 174.94 174.55 1r0y s LEU 619 N 0.61 3.39 -0.19 2.97 1.02 0.16 -0.14 118.68 126.51 1r0y s LEU 619 Ca -0.00 -0.11 -0.06 0.00 0.02 0.00 0.00 54.13 53.98 1r0y s LEU 619 Cb -0.14 -2.01 0.09 0.00 0.02 0.00 0.00 46.19 44.15 1r0y s LEU 619 CO 0.02 0.25 0.38 -2.28 0.02 0.00 0.00 176.35 174.73 1r0y s HIS 620 N -1.13 -0.71 -1.38 0.29 5.65 0.23 -1.99 115.29 116.25 1r0y s HIS 620 Ca 0.21 1.34 -0.09 0.00 0.25 0.00 0.00 55.06 56.76 1r0y s HIS 620 Cb -0.11 0.20 0.02 0.00 -1.18 0.00 0.00 32.58 31.51 1r0y s HIS 620 CO 0.12 -0.47 1.13 0.94 -0.65 0.00 0.00 174.74 175.80 1r0y n GLN 621 N 5.38 -7.38 -0.68 2.88 -0.06 -1.26 -1.20 117.38 115.06 1r0y n GLN 621 Ca -0.08 0.79 0.00 0.00 -2.00 0.00 0.00 57.00 55.71 1r0y n GLN 621 Cb 0.50 -5.80 0.00 0.00 -4.06 0.00 0.00 30.24 20.87 1r0y n GLN 621 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1r0y n GLY 622 N -1.87 0.70 3.14 1.69 0.00 -0.12 -4.96 105.19 103.76 1r0y n GLY 622 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.83 1r0y n GLY 622 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1r0y s SER 623 N -2.22 1.44 -0.82 1.61 0.15 -0.34 -1.43 113.70 112.09 1r0y s SER 623 Ca 0.00 -0.60 -0.26 0.00 0.70 0.00 0.00 55.95 55.79 1r0y s SER 623 Cb 0.00 -0.02 0.03 0.00 -1.71 0.00 0.00 66.02 64.32 1r0y s SER 623 CO 0.00 -0.11 1.34 -0.55 1.20 0.00 0.00 173.24 175.11 1r0y s SER 624 N -1.70 6.24 0.33 5.45 0.15 -1.26 0.74 113.70 123.64 1r0y s SER 624 Ca -0.04 -0.72 0.14 0.00 0.70 0.00 0.00 55.95 56.03 1r0y s SER 624 Cb -0.10 -2.56 0.54 0.00 -1.71 0.00 0.00 66.02 62.19 1r0y s SER 624 CO 0.02 -1.76 1.69 0.22 1.20 0.00 0.00 173.24 174.61 1r0y h TYR 625 N 10.03 0.00 -1.71 3.44 5.03 -0.84 -3.46 116.97 129.46 1r0y h TYR 625 Ca -0.14 0.00 0.03 0.00 2.58 0.00 0.00 58.73 61.20 1r0y h TYR 625 Cb 1.04 0.00 -0.22 0.00 1.55 0.00 0.00 36.73 39.10 1r0y h TYR 625 CO 1.17 0.49 0.41 0.12 -1.32 0.00 0.00 178.16 179.03 1r0y s PHE 626 N -3.67 -0.48 -0.19 -3.82 2.19 -1.18 -4.96 117.98 105.86 1r0y s PHE 626 Ca -0.01 0.89 -0.07 0.00 0.33 0.00 0.00 56.93 58.07 1r0y s PHE 626 Cb 0.12 0.42 0.09 0.00 -1.31 0.00 0.00 43.02 42.34 1r0y s PHE 626 CO 0.72 -0.41 0.40 -0.47 1.83 0.00 0.00 175.22 177.29 1r0y s TYR 627 N -0.93 -0.74 -0.57 10.12 5.04 -1.26 -1.27 117.35 127.75 1r0y s TYR 627 Ca -0.04 1.44 0.00 0.00 -2.44 0.00 0.00 57.07 56.03 1r0y s TYR 627 Cb -0.01 0.26 0.00 0.00 0.35 0.00 0.00 41.96 42.56 1r0y s TYR 627 CO 0.03 -0.46 0.00 0.41 -1.34 0.00 0.00 175.55 174.19 1r0y n GLY 628 N 5.33 -0.63 3.95 8.97 0.00 -0.70 -4.99 105.19 117.11 1r0y n GLY 628 Ca -0.09 -0.35 -0.23 0.00 0.00 0.00 0.00 46.02 45.34 1r0y n GLY 628 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1r0y s THR 629 N -4.00 3.59 0.27 2.61 -4.23 -1.26 -0.46 115.64 112.15 1r0y s THR 629 Ca 0.00 -0.41 -0.02 0.00 -1.18 0.00 0.00 61.69 60.08 1r0y s THR 629 Cb 0.00 -3.36 0.27 0.00 1.34 0.00 0.00 72.50 70.75 1r0y s THR 629 CO 0.00 -0.28 1.88 0.15 -0.54 0.00 0.00 174.62 175.82 1r0y h PHE 630 N 0.16 1.19 -0.18 3.99 3.57 -1.83 0.44 116.94 124.29 1r0y h PHE 630 Ca -0.45 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.07 1r0y h PHE 630 Cb 1.26 -0.39 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1r0y h PHE 630 CO 0.44 0.61 0.06 1.03 -2.23 0.00 0.00 178.31 178.21 1r0y h SER 631 N 1.16 0.25 -0.38 0.41 0.87 -1.95 -1.69 113.55 112.22 1r0y h SER 631 Ca 0.43 -0.19 0.11 0.00 -1.23 0.00 0.00 61.79 60.91 1r0y h SER 631 Cb 0.18 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 1r0y h SER 631 CO -0.18 0.38 0.28 -0.33 -0.53 0.00 0.00 176.83 176.45 1r0y h GLU 632 N 0.12 0.00 -0.33 2.24 5.08 -1.84 -2.35 114.58 117.49 1r0y h GLU 632 Ca 0.06 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 1r0y h GLU 632 Cb 0.21 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1r0y h GLU 632 CO -0.00 0.00 -0.23 1.25 -1.00 0.00 0.00 179.01 179.03 1r0y h LEU 633 N 0.00 0.78 -1.00 1.33 5.85 -0.02 0.63 115.31 122.87 1r0y h LEU 633 Ca 0.18 -0.44 -0.09 0.00 0.84 0.00 0.00 57.88 58.38 1r0y h LEU 633 Cb 0.74 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1r0y h LEU 633 CO -0.00 1.05 -0.20 1.56 -0.34 0.00 0.00 178.44 180.51 1r0y h GLN 634 N 0.52 0.49 0.03 1.25 4.20 -0.89 -0.49 115.11 120.22 1r0y h GLN 634 Ca 0.07 -0.17 -0.31 0.00 0.06 0.00 0.00 58.65 58.30 1r0y h GLN 634 Cb 0.79 -0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.49 1r0y h GLN 634 CO 0.06 0.67 -1.79 -1.13 -0.67 0.00 0.00 178.83 175.97 1r0y n SER 635 N -4.15 1.22 0.04 1.46 3.41 -1.01 -4.14 113.62 110.43 1r0y n SER 635 Ca 0.00 0.36 0.11 0.00 -0.26 0.00 0.00 58.87 59.08 1r0y n SER 635 Cb 0.37 -0.28 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1r0y n SER 635 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1r0y n LEU 636 N -3.16 0.59 -3.18 1.04 4.77 0.21 -4.56 117.00 112.70 1r0y n LEU 636 Ca -0.21 0.04 -0.22 0.00 -0.03 0.00 0.00 56.01 55.59 1r0y n LEU 636 Cb 1.05 -0.08 -0.05 0.00 -2.33 0.00 0.00 43.42 42.01 1r0y n LEU 636 CO 0.44 -0.00 -0.20 0.54 -1.33 0.00 0.00 177.39 176.85 1r0y n ARG 637 N -2.11 1.20 0.11 3.23 5.12 -0.20 -4.96 116.66 119.05 1r0y n ARG 637 Ca 0.01 -3.55 -0.04 0.00 -1.93 0.00 0.00 57.85 52.34 1r0y n ARG 637 Cb 0.47 -1.61 0.08 0.00 -1.16 0.00 0.00 32.46 30.23 1r0y n ARG 637 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 1r0y h PRO 638 N 3.46 0.03 -0.21 5.56 0.14 -1.73 0.15 132.00 139.41 1r0y h PRO 638 Ca 0.10 -0.03 -0.14 0.00 0.14 0.00 0.00 66.00 66.07 1r0y h PRO 638 Cb 0.87 0.01 0.00 0.00 0.14 0.00 0.00 31.00 32.02 1r0y h PRO 638 CO 0.54 0.76 -0.42 -0.44 0.14 0.00 0.00 178.00 178.57 1r0y h ASP 639 N 0.02 0.73 0.46 1.44 3.45 -1.92 0.16 116.42 120.76 1r0y h ASP 639 Ca -0.01 -0.55 -0.02 0.00 0.43 0.00 0.00 57.03 56.88 1r0y h ASP 639 Cb 1.31 -0.21 0.00 0.00 -0.56 0.00 0.00 39.33 39.87 1r0y h ASP 639 CO 0.10 1.15 -0.22 0.15 -1.57 0.00 0.00 179.24 178.84 1r0y h PHE 640 N 0.35 -0.58 -0.27 4.55 3.04 -1.83 -2.89 116.94 119.31 1r0y h PHE 640 Ca 0.01 -0.01 0.06 0.00 3.98 0.00 0.00 57.97 62.00 1r0y h PHE 640 Cb 1.03 0.19 -0.06 0.00 2.56 0.00 0.00 35.95 39.67 1r0y h PHE 640 CO 0.09 -0.36 -0.10 0.77 -2.02 0.00 0.00 178.31 176.69 1r0y h SER 641 N -0.62 -0.35 -0.46 0.41 0.02 -0.67 -0.67 113.55 111.22 1r0y h SER 641 Ca -0.06 0.09 -0.09 0.00 -0.84 0.00 0.00 61.79 60.89 1r0y h SER 641 Cb 0.48 0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.20 1r0y h SER 641 CO 0.10 -0.13 -0.03 -1.28 -1.14 0.00 0.00 176.83 174.35 1r0y h SER 642 N -0.05 0.88 -0.31 3.07 0.87 -1.00 0.72 113.55 117.73 1r0y h SER 642 Ca 0.14 -0.24 -0.06 0.00 -1.23 0.00 0.00 61.79 60.39 1r0y h SER 642 Cb 0.26 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1r0y h SER 642 CO -0.31 0.96 -0.05 0.50 -0.53 0.00 0.00 176.83 177.40 1r0y h LYS 643 N 0.83 0.59 0.02 2.24 1.63 -1.28 -2.15 116.57 118.43 1r0y h LYS 643 Ca 0.15 -0.21 -0.05 0.00 -0.85 0.00 0.00 60.65 59.69 1r0y h LYS 643 Cb 0.53 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.13 1r0y h LYS 643 CO 0.03 0.76 -0.20 -0.07 -3.45 0.00 0.00 179.45 176.51 1r0y h LEU 644 N 0.36 0.15 0.00 5.20 3.38 -0.01 -3.13 115.31 121.27 1r0y h LEU 644 Ca 0.08 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.20 1r0y h LEU 644 Cb 0.52 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1r0y h LEU 644 CO 0.03 0.99 0.00 0.23 0.09 0.00 0.00 178.44 179.78 1r0y n MET 645 N -4.53 0.17 -0.04 1.13 2.81 0.24 -3.05 117.12 113.86 1r0y n MET 645 Ca -0.10 0.17 0.12 0.00 -1.81 0.00 0.00 57.70 56.07 1r0y n MET 645 Cb 0.51 -1.50 0.49 0.00 -0.71 0.00 0.00 33.22 32.01 1r0y n MET 645 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1r0y n GLY 646 N -0.08 -0.10 3.93 3.03 0.00 -0.81 -4.77 105.19 106.39 1r0y n GLY 646 Ca 0.06 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.47 1r0y n GLY 646 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1r0y s TYR 647 N -1.89 3.31 -0.12 1.61 1.51 -1.17 -5.02 117.35 115.58 1r0y s TYR 647 Ca 0.34 0.55 0.19 0.00 -1.01 0.00 0.00 57.07 57.14 1r0y s TYR 647 Cb 0.18 -2.51 -0.24 0.00 -0.11 0.00 0.00 41.96 39.28 1r0y s TYR 647 CO 0.28 -0.56 0.48 -0.25 -1.11 0.00 0.00 175.55 174.39 1r0y n ASP 648 N -2.36 0.29 -2.70 2.29 8.00 -1.26 -4.60 116.55 116.21 1r0y n ASP 648 Ca 0.03 0.12 -0.07 0.00 0.71 0.00 0.00 54.79 55.58 1r0y n ASP 648 Cb 0.57 1.09 0.07 0.00 -0.02 0.00 0.00 41.12 42.83 1r0y n ASP 648 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1r0y n THR 649 N -2.61 0.60 -0.33 -3.53 -2.24 -1.26 -4.95 114.28 99.96 1r0y n THR 649 Ca -0.14 -2.32 0.24 0.00 -2.27 0.00 0.00 64.05 59.55 1r0y n THR 649 Cb 0.83 0.89 0.45 0.00 -2.10 0.00 0.00 70.33 70.39 1r0y n THR 649 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 1r0y h PHE 650 N 2.43 0.46 0.00 4.78 3.57 -1.92 -0.18 116.94 126.08 1r0y h PHE 650 Ca -0.20 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.36 1r0y h PHE 650 Cb 1.24 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1r0y h PHE 650 CO 0.32 -0.43 0.00 -0.25 -2.23 0.00 0.00 178.31 175.72 1r0y n ASP 651 N -5.34 0.65 -0.89 0.41 8.00 -1.26 -1.10 116.55 117.03 1r0y n ASP 651 Ca 0.31 0.69 0.12 0.00 0.71 0.00 0.00 54.79 56.61 1r0y n ASP 651 Cb 1.03 -0.82 0.10 0.00 -0.02 0.00 0.00 41.12 41.41 1r0y n ASP 651 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1r0y n GLN 652 N -2.25 2.17 -1.09 -1.24 6.02 -0.08 -4.90 117.38 116.01 1r0y n GLN 652 Ca 0.01 -1.78 -0.29 0.00 -0.01 0.00 0.00 57.00 54.93 1r0y n GLN 652 Cb 0.19 -1.46 0.18 0.00 1.02 0.00 0.00 30.24 30.17 1r0y n GLN 652 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1r0y s PHE 653 N -2.06 2.04 0.69 1.08 2.99 -0.26 -5.00 117.98 117.46 1r0y s PHE 653 Ca 0.27 1.09 -0.11 0.00 0.00 0.00 0.00 56.93 58.18 1r0y s PHE 653 Cb 0.20 -3.22 0.01 0.00 0.00 0.00 0.00 43.02 40.00 1r0y s PHE 653 CO 0.34 -2.92 1.06 0.95 -0.00 0.00 0.00 175.22 174.65 1r0y s THR 654 N -2.89 4.04 0.32 0.64 -4.23 -1.26 -4.78 115.64 107.47 1r0y s THR 654 Ca 0.65 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 61.83 1r0y s THR 654 Cb -0.19 -3.46 0.27 0.00 1.34 0.00 0.00 72.50 70.46 1r0y s THR 654 CO 0.58 -0.86 1.96 -0.08 -0.54 0.00 0.00 174.62 175.68 1r0y h GLU 655 N -0.68 0.99 -0.19 3.99 4.22 -1.90 -0.90 114.58 120.11 1r0y h GLU 655 Ca -0.44 -0.06 -0.03 0.00 0.08 0.00 0.00 59.36 58.91 1r0y h GLU 655 Cb 1.21 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.23 1r0y h GLU 655 CO 0.58 0.65 0.00 1.49 -2.18 0.00 0.00 179.01 179.56 1r0y h GLU 656 N 1.02 0.33 0.15 1.92 4.81 -1.91 0.10 114.58 121.00 1r0y h GLU 656 Ca 0.31 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1r0y h GLU 656 Cb -0.01 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1r0y h GLU 656 CO -0.08 0.53 -0.13 -0.09 -0.73 0.00 0.00 179.01 178.50 1r0y h ARG 657 N 0.09 -0.29 -0.35 1.92 9.65 -1.81 0.11 114.38 123.70 1r0y h ARG 657 Ca 0.05 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 59.00 1r0y h ARG 657 Cb 0.38 0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.98 1r0y h ARG 657 CO 0.01 -0.19 0.09 0.00 2.80 0.00 0.00 179.97 182.67 1r0y h ARG 658 N -0.30 0.21 -0.22 0.20 3.08 -1.03 0.33 114.38 116.65 1r0y h ARG 658 Ca 0.00 -0.01 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1r0y h ARG 658 Cb 0.28 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1r0y h ARG 658 CO -0.03 0.14 -0.17 0.77 -1.07 0.00 0.00 179.97 179.61 1r0y h SER 659 N 0.22 0.36 -0.16 7.04 0.02 -0.66 0.53 113.55 120.89 1r0y h SER 659 Ca 0.16 -0.09 -0.22 0.00 -0.84 0.00 0.00 61.79 60.80 1r0y h SER 659 Cb 0.17 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.62 1r0y h SER 659 CO -0.20 0.55 -0.74 0.77 -1.14 0.00 0.00 176.83 176.08 1r0y h SER 660 N 0.34 0.93 -0.40 3.07 4.64 0.88 -0.12 113.55 122.89 1r0y h SER 660 Ca 0.06 -0.62 0.05 0.00 -0.47 0.00 0.00 61.79 60.81 1r0y h SER 660 Cb 0.51 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 62.28 1r0y h SER 660 CO 0.03 1.40 0.14 0.40 -0.87 0.00 0.00 176.83 177.94 1r0y h ILE 661 N 0.52 0.88 -0.78 0.95 2.04 -0.24 -1.50 117.51 119.39 1r0y h ILE 661 Ca -0.05 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.76 1r0y h ILE 661 Cb 1.37 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.95 1r0y h ILE 661 CO 0.15 0.06 0.48 -0.07 0.00 0.00 0.00 178.15 178.77 1r0y h LEU 662 N 0.31 0.76 -0.15 1.44 3.38 -0.66 -0.54 115.31 119.84 1r0y h LEU 662 Ca 0.18 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 1r0y h LEU 662 Cb 0.16 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1r0y h LEU 662 CO -0.19 0.50 0.06 0.74 0.09 0.00 0.00 178.44 179.64 1r0y h THR 663 N 0.90 1.16 -0.50 0.22 2.02 -0.66 0.77 112.91 116.82 1r0y h THR 663 Ca 0.33 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 1r0y h THR 663 Cb 0.12 1.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1r0y h THR 663 CO -0.15 0.15 0.31 -0.33 0.37 0.00 0.00 175.52 175.86 1r0y h GLU 664 N 0.08 0.67 -0.78 6.66 5.08 -1.06 0.49 114.58 125.71 1r0y h GLU 664 Ca 0.05 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1r0y h GLU 664 Cb 0.18 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 1r0y h GLU 664 CO -0.00 0.47 0.33 1.15 -1.00 0.00 0.00 179.01 179.96 1r0y h THR 665 N 0.66 1.25 -0.09 1.13 2.02 -0.86 0.21 112.91 117.23 1r0y h THR 665 Ca 0.18 -0.78 -0.19 0.00 0.77 0.00 0.00 66.41 66.39 1r0y h THR 665 Cb -0.03 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 66.68 1r0y h THR 665 CO -0.04 0.32 -0.74 -0.07 0.37 0.00 0.00 175.52 175.37 1r0y h LEU 666 N 1.13 0.56 0.25 2.58 -0.00 -0.21 -1.42 115.31 118.21 1r0y h LEU 666 Ca 0.26 -0.37 -0.01 0.00 -0.00 0.00 0.00 57.88 57.77 1r0y h LEU 666 Cb 0.18 -0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 40.67 1r0y h LEU 666 CO -0.03 1.12 -0.17 0.03 -0.00 0.00 0.00 178.44 179.40 1r0y h ARG 667 N 0.32 -0.39 -0.37 1.13 3.08 0.69 -3.05 114.38 115.78 1r0y h ARG 667 Ca -0.03 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.12 1r0y h ARG 667 Cb 1.32 0.09 -0.08 0.00 0.08 0.00 0.00 29.97 31.39 1r0y h ARG 667 CO 0.13 -0.26 -0.15 -0.09 -1.07 0.00 0.00 179.97 178.52 1r0y h ARG 668 N -0.41 -0.08 -0.96 0.04 2.43 -0.52 -3.32 114.38 111.56 1r0y h ARG 668 Ca -0.02 0.01 -0.65 0.00 -0.81 0.00 0.00 59.98 58.51 1r0y h ARG 668 Cb 0.35 0.02 -0.33 0.00 -0.42 0.00 0.00 29.97 29.59 1r0y h ARG 668 CO 0.02 -0.05 0.43 1.19 -1.51 0.00 0.00 179.97 180.04 1r0y n PHE 669 N -5.34 3.11 0.86 2.20 3.72 -0.54 -5.10 117.46 116.37 1r0y n PHE 669 Ca 0.02 -2.81 0.07 0.00 -0.05 0.00 0.00 57.45 54.68 1r0y n PHE 669 Cb 0.25 -1.15 0.41 0.00 -0.94 0.00 0.00 39.48 38.05 1r0y n PHE 669 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58