#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1e s GLU 401 N 0.00 3.55 0.15 0.00 -1.05 -1.26 -5.06 118.70 115.04 3a1e s GLU 401 Ca 0.00 -0.25 -0.34 0.00 -0.15 0.00 0.00 54.97 54.24 3a1e s GLU 401 Cb 0.00 -2.85 -0.16 0.00 -0.44 0.00 0.00 34.13 30.67 3a1e s GLU 401 CO 0.00 0.44 1.17 -0.11 0.95 0.00 0.00 175.26 177.71 3a1e n LEU 402 N -0.31 1.40 -3.54 1.83 7.94 -1.26 -4.72 117.00 118.34 3a1e n LEU 402 Ca -0.04 1.14 -0.17 0.00 -1.11 0.00 0.00 56.01 55.83 3a1e n LEU 402 Cb 0.53 -1.19 -0.13 0.00 0.53 0.00 0.00 43.42 43.16 3a1e n LEU 402 CO 0.49 -1.33 -0.19 -0.83 -1.11 0.00 0.00 177.39 174.42 3a1e s GLY 403 N 0.05 -0.03 -0.38 -3.96 0.00 -1.26 -5.04 107.32 96.71 3a1e s GLY 403 Ca 0.76 0.44 -0.04 0.00 0.00 0.00 0.00 44.72 45.88 3a1e s GLY 403 CO 0.52 2.08 0.15 -0.42 0.00 0.00 0.00 173.10 175.43 3a1e s ILE 404 N 2.35 3.40 -0.40 0.90 1.01 -1.26 -1.97 121.20 125.22 3a1e s ILE 404 Ca 0.06 -1.69 -0.19 0.00 0.00 0.00 0.00 60.65 58.82 3a1e s ILE 404 Cb -0.15 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.18 3a1e s ILE 404 CO -0.11 -0.46 0.57 -0.22 0.00 0.00 0.00 174.94 174.72 3a1e s LEU 405 N 1.24 4.51 -0.23 2.97 2.96 0.27 -4.96 118.68 125.43 3a1e s LEU 405 Ca 0.03 -0.28 -0.19 0.00 -0.22 0.00 0.00 54.13 53.47 3a1e s LEU 405 Cb -0.22 -2.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.82 3a1e s LEU 405 CO -0.02 -0.64 0.56 -0.63 -1.32 0.00 0.00 176.35 174.30 3a1e s ILE 406 N 2.56 5.05 -1.30 6.68 1.01 -1.26 -0.90 121.20 133.04 3a1e s ILE 406 Ca 0.20 1.00 0.15 0.00 0.00 0.00 0.00 60.65 61.99 3a1e s ILE 406 Cb -0.15 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 3a1e s ILE 406 CO 0.16 0.10 0.79 0.29 0.00 0.00 0.00 174.94 176.28 3a1e n LYS 407 N 5.31 1.81 -3.74 2.79 5.02 -0.15 -4.92 118.16 124.28 3a1e n LYS 407 Ca -0.03 -0.68 -0.15 0.00 -2.02 0.00 0.00 58.31 55.42 3a1e n LYS 407 Cb 0.50 -1.23 -0.16 0.00 -0.02 0.00 0.00 35.03 34.12 3a1e n LYS 407 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3a1e s ASN 408 N -1.87 0.21 0.65 4.39 3.84 -1.24 -5.03 114.94 115.89 3a1e s ASN 408 Ca 0.12 0.19 0.38 0.00 0.21 0.00 0.00 52.86 53.76 3a1e s ASN 408 Cb 0.12 0.08 2.11 0.00 -0.55 0.00 0.00 41.25 43.00 3a1e s ASN 408 CO 0.40 -0.17 2.25 0.00 -2.79 0.00 0.00 177.10 176.79 3a1e h ALA 409 N 7.55 1.25 -0.31 1.71 0.00 -1.95 -1.59 119.26 125.93 3a1e h ALA 409 Ca -0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3a1e h ALA 409 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3a1e h ALA 409 CO 0.37 -0.09 0.00 -0.25 0.00 0.00 0.00 179.25 179.28 3a1e n ASP 410 N -3.28 3.01 -0.34 0.00 8.00 -1.26 -4.56 116.55 118.13 3a1e n ASP 410 Ca -0.02 -1.88 0.07 0.00 0.71 0.00 0.00 54.79 53.67 3a1e n ASP 410 Cb 0.16 -0.20 0.23 0.00 -0.02 0.00 0.00 41.12 41.29 3a1e n ASP 410 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a1e h ALA 411 N 3.30 1.44 0.01 2.24 0.00 -1.64 -1.37 119.26 123.24 3a1e h ALA 411 Ca 0.00 0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.75 3a1e h ALA 411 Cb 0.81 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3a1e h ALA 411 CO 0.00 0.12 -0.92 -0.07 0.00 0.00 0.00 179.25 178.37 3a1e h LEU 412 N 0.87 0.06 -0.67 0.00 3.38 -1.81 0.92 115.31 118.06 3a1e h LEU 412 Ca 0.49 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.39 3a1e h LEU 412 Cb 0.55 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 3a1e h LEU 412 CO -0.29 0.95 0.36 -0.08 0.09 0.00 0.00 178.44 179.46 3a1e h GLU 413 N 0.02 0.93 -0.30 1.13 4.81 -1.74 -1.48 114.58 117.95 3a1e h GLU 413 Ca -0.02 -0.11 -0.05 0.00 -0.13 0.00 0.00 59.36 59.04 3a1e h GLU 413 Cb 1.62 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 3a1e h GLU 413 CO 0.13 0.71 -0.02 0.28 -0.73 0.00 0.00 179.01 179.37 3a1e h VAL 414 N 0.91 1.27 -0.99 0.32 2.07 -1.11 -3.10 116.25 115.63 3a1e h VAL 414 Ca 0.23 -1.00 0.18 0.00 0.82 0.00 0.00 66.70 66.94 3a1e h VAL 414 Cb 0.05 1.31 -0.10 0.00 -1.52 0.00 0.00 31.29 31.03 3a1e h VAL 414 CO -0.04 0.32 0.61 0.00 0.02 0.00 0.00 177.57 178.49 3a1e h ALA 415 N 0.82 1.73 -0.37 1.67 0.00 -0.59 0.95 119.26 123.47 3a1e h ALA 415 Ca 0.08 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3a1e h ALA 415 Cb 0.48 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3a1e h ALA 415 CO 0.02 -0.07 0.25 1.49 0.00 0.00 0.00 179.25 180.94 3a1e h GLU 416 N 0.75 0.48 0.00 0.00 4.81 -1.19 -2.93 114.58 116.51 3a1e h GLU 416 Ca 0.55 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.75 3a1e h GLU 416 Cb 0.87 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.14 3a1e h GLU 416 CO -0.33 0.32 -0.60 1.63 -0.73 0.00 0.00 179.01 179.29 3a1e n LYS 417 N -4.48 0.06 -1.68 1.92 5.02 0.26 -4.97 118.16 114.30 3a1e n LYS 417 Ca 0.03 0.01 -0.45 0.00 -2.02 0.00 0.00 58.31 55.88 3a1e n LYS 417 Cb 0.07 -1.53 -0.04 0.00 -0.02 0.00 0.00 35.03 33.51 3a1e n LYS 417 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3a1e n VAL 418 N -1.61 0.15 0.15 -0.18 0.31 -0.79 -4.70 118.33 111.66 3a1e n VAL 418 Ca 0.05 -0.04 0.04 0.00 -0.01 0.00 0.00 64.34 64.38 3a1e n VAL 418 Cb 0.36 -1.61 -0.05 0.00 -0.91 0.00 0.00 33.84 31.62 3a1e n VAL 418 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3a1e n THR 419 N 3.27 0.00 -3.74 2.52 -2.24 -0.27 -4.90 114.28 108.91 3a1e n THR 419 Ca 0.16 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 3a1e n THR 419 Cb 0.30 0.61 -0.14 0.00 -2.10 0.00 0.00 70.33 69.00 3a1e n THR 419 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a1e s ALA 420 N -2.21 -0.32 -0.21 6.98 0.00 -0.99 -1.17 121.76 123.84 3a1e s ALA 420 Ca -0.00 0.74 -0.04 0.00 0.00 0.00 0.00 51.96 52.65 3a1e s ALA 420 Cb 0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3a1e s ALA 420 CO 0.33 -0.16 -0.02 0.08 0.00 0.00 0.00 175.76 175.98 3a1e s VAL 421 N 1.17 3.64 -0.22 0.00 1.01 0.69 -1.18 120.40 125.50 3a1e s VAL 421 Ca -0.09 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.45 3a1e s VAL 421 Cb -0.11 -2.65 -0.00 0.00 0.00 0.00 0.00 36.38 33.62 3a1e s VAL 421 CO -0.06 0.42 -0.07 -0.63 0.00 0.00 0.00 175.10 174.76 3a1e s ILE 422 N 1.27 3.13 -0.04 2.22 -1.09 0.31 -0.63 121.20 126.36 3a1e s ILE 422 Ca 0.03 -0.60 -0.15 0.00 -2.23 0.00 0.00 60.65 57.70 3a1e s ILE 422 Cb -0.14 -2.42 -0.05 0.00 -1.58 0.00 0.00 42.46 38.26 3a1e s ILE 422 CO -0.00 0.43 0.41 -0.36 -1.23 0.00 0.00 174.94 174.18 3a1e s PHE 423 N 1.44 3.65 0.34 3.97 0.08 -0.41 -0.38 117.98 126.68 3a1e s PHE 423 Ca 0.05 0.92 -0.28 0.00 0.12 0.00 0.00 56.93 57.75 3a1e s PHE 423 Cb -0.14 -2.35 -0.09 0.00 -0.57 0.00 0.00 43.02 39.87 3a1e s PHE 423 CO -0.05 0.50 1.19 0.34 -0.10 0.00 0.00 175.22 177.10 3a1e s ASP 424 N -0.53 6.81 -0.03 1.36 2.15 0.40 -0.86 116.67 125.96 3a1e s ASP 424 Ca 0.23 2.43 -0.12 0.00 0.43 0.00 0.00 52.55 55.52 3a1e s ASP 424 Cb -0.16 -2.63 -0.07 0.00 -0.30 0.00 0.00 42.92 39.76 3a1e s ASP 424 CO 0.12 -0.48 0.58 0.50 -0.17 0.00 0.00 175.17 175.71 3a1e h LYS 425 N 3.21 -0.43 -6.26 4.34 3.64 -1.79 -3.24 116.57 116.04 3a1e h LYS 425 Ca -0.48 0.03 -0.57 0.00 -1.27 0.00 0.00 60.65 58.36 3a1e h LYS 425 Cb 1.23 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 33.09 3a1e h LYS 425 CO 0.65 -0.29 0.88 0.95 -2.27 0.00 0.00 179.45 179.37 3a1e s THR 426 N -3.04 4.41 0.00 1.00 -4.23 -1.26 -0.84 115.64 111.68 3a1e s THR 426 Ca -0.07 1.65 0.00 0.00 -1.18 0.00 0.00 61.69 62.09 3a1e s THR 426 Cb 0.01 -4.27 0.00 0.00 1.34 0.00 0.00 72.50 69.58 3a1e s THR 426 CO 0.20 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.51 3a1e n GLY 427 N 3.85 2.91 0.09 3.99 0.00 -1.22 -4.80 105.19 110.01 3a1e n GLY 427 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 3a1e n GLY 427 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a1e n THR 428 N -2.00 1.48 0.08 2.61 -1.04 -0.97 -4.55 114.28 109.90 3a1e n THR 428 Ca 0.00 0.09 -0.03 0.00 -2.04 0.00 0.00 64.05 62.07 3a1e n THR 428 Cb 0.00 -2.29 -0.06 0.00 -1.82 0.00 0.00 70.33 66.16 3a1e n THR 428 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3a1e h LEU 429 N -1.00 0.00 -9.95 -4.42 3.38 -1.01 -3.47 115.31 98.84 3a1e h LEU 429 Ca -0.10 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.36 3a1e h LEU 429 Cb 0.96 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 3a1e h LEU 429 CO -0.06 0.78 -0.49 0.42 0.09 0.00 0.00 178.44 179.18 3a1e s THR 430 N -2.82 3.71 -1.11 0.22 -4.23 -1.10 -0.19 115.64 110.12 3a1e s THR 430 Ca 0.02 -1.45 0.20 0.00 -1.18 0.00 0.00 61.69 59.28 3a1e s THR 430 Cb 0.09 -3.20 0.21 0.00 1.34 0.00 0.00 72.50 70.94 3a1e s THR 430 CO 0.79 -0.23 1.64 0.29 -0.54 0.00 0.00 174.62 176.57 3a1e n LYS 431 N -1.27 0.07 -1.55 3.99 5.02 -0.29 -3.45 118.16 120.68 3a1e n LYS 431 Ca -0.04 0.14 -0.10 0.00 -2.02 0.00 0.00 58.31 56.29 3a1e n LYS 431 Cb 0.59 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.07 3a1e n LYS 431 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1e n GLY 432 N 0.54 0.83 2.71 0.72 0.00 -1.26 -4.96 105.19 103.77 3a1e n GLY 432 Ca 0.06 -0.53 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 3a1e n GLY 432 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a1e n LYS 433 N -2.50 2.80 -2.19 1.61 5.02 -1.26 -5.04 118.16 116.60 3a1e n LYS 433 Ca -0.11 -4.66 -0.37 0.00 -2.02 0.00 0.00 58.31 51.15 3a1e n LYS 433 Cb 0.41 -2.18 -0.00 0.00 -0.02 0.00 0.00 35.03 33.24 3a1e n LYS 433 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3a1e s PRO 434 N -3.04 3.64 -0.07 1.97 0.04 -1.26 -4.74 135.00 131.55 3a1e s PRO 434 Ca 0.45 1.83 -0.07 0.00 0.04 0.00 0.00 61.00 63.25 3a1e s PRO 434 Cb 0.24 -2.36 0.02 0.00 0.04 0.00 0.00 34.50 32.44 3a1e s PRO 434 CO -0.10 -0.66 0.20 -2.00 0.04 0.00 0.00 177.00 174.48 3a1e s GLU 435 N -2.76 0.27 0.05 4.56 2.12 -0.08 -4.54 118.70 118.32 3a1e s GLU 435 Ca 0.65 0.21 -0.31 0.00 0.36 0.00 0.00 54.97 55.89 3a1e s GLU 435 Cb -0.30 0.13 -0.08 0.00 0.26 0.00 0.00 34.13 34.14 3a1e s GLU 435 CO 0.36 -0.04 1.59 0.08 -0.54 0.00 0.00 175.26 176.71 3a1e s VAL 436 N -0.06 3.21 -0.06 3.70 1.01 -1.26 -0.88 120.40 126.06 3a1e s VAL 436 Ca -0.02 0.64 0.12 0.00 0.00 0.00 0.00 61.98 62.72 3a1e s VAL 436 Cb -0.02 -3.41 -0.18 0.00 0.00 0.00 0.00 36.38 32.77 3a1e s VAL 436 CO 0.00 -0.00 0.18 0.35 0.00 0.00 0.00 175.10 175.63 3a1e n THR 437 N 4.73 0.37 -3.76 3.92 -2.24 0.24 -4.93 114.28 112.61 3a1e n THR 437 Ca 0.15 -0.40 -0.13 0.00 -2.27 0.00 0.00 64.05 61.41 3a1e n THR 437 Cb 0.41 -0.19 -0.12 0.00 -2.10 0.00 0.00 70.33 68.33 3a1e n THR 437 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3a1e s ASP 438 N -3.95 -0.26 -0.22 3.42 1.01 -1.16 -4.99 116.67 110.51 3a1e s ASP 438 Ca -0.05 0.51 0.00 0.00 0.71 0.00 0.00 52.55 53.71 3a1e s ASP 438 Cb 0.06 0.46 0.03 0.00 1.01 0.00 0.00 42.92 44.48 3a1e s ASP 438 CO 0.53 -0.12 -0.12 -0.76 0.21 0.00 0.00 175.17 174.90 3a1e s LEU 439 N 0.66 2.78 -0.66 1.23 1.43 -1.26 -0.88 118.68 121.97 3a1e s LEU 439 Ca -0.04 -0.83 0.05 0.00 -1.03 0.00 0.00 54.13 52.28 3a1e s LEU 439 Cb -0.06 -1.58 0.18 0.00 0.03 0.00 0.00 46.19 44.76 3a1e s LEU 439 CO -0.04 -0.08 0.50 0.52 0.23 0.00 0.00 176.35 177.49 3a1e n VAL 440 N 4.62 1.34 -2.60 -1.59 0.31 0.81 -4.96 118.33 116.26 3a1e n VAL 440 Ca -0.18 -4.72 -0.39 0.00 -0.01 0.00 0.00 64.34 59.04 3a1e n VAL 440 Cb 0.48 -2.11 -0.05 0.00 -0.91 0.00 0.00 33.84 31.24 3a1e n VAL 440 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3a1e s PRO 441 N -1.38 4.57 0.00 5.55 0.04 -1.26 -1.03 135.00 141.48 3a1e s PRO 441 Ca 0.27 1.60 0.31 0.00 0.04 0.00 0.00 61.00 63.22 3a1e s PRO 441 Cb -0.01 -3.00 1.67 0.00 0.04 0.00 0.00 34.50 33.20 3a1e s PRO 441 CO -0.16 0.20 2.11 1.28 0.04 0.00 0.00 177.00 180.48 3a1e n LEU 442 N 0.86 0.00 0.00 -3.56 4.77 -0.58 -3.41 117.00 115.08 3a1e n LEU 442 Ca 0.01 0.16 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 3a1e n LEU 442 Cb 0.47 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 3a1e n LEU 442 CO 0.50 -0.00 0.09 -0.46 -1.33 0.00 0.00 177.39 176.18 3a1e n ASN 443 N -1.16 0.34 0.00 -1.43 6.94 -1.26 -5.03 115.26 113.65 3a1e n ASN 443 Ca 0.18 -0.66 0.00 0.00 -0.02 0.00 0.00 54.58 54.09 3a1e n ASN 443 Cb 0.18 0.47 0.00 0.00 -2.36 0.00 0.00 39.78 38.08 3a1e n ASN 443 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3a1e n GLY 444 N 0.47 2.35 3.52 4.83 0.00 -1.22 -5.02 105.19 110.13 3a1e n GLY 444 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3a1e n GLY 444 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a1e s ASP 445 N -1.34 6.65 0.20 1.61 3.68 -1.26 -4.84 116.67 121.37 3a1e s ASP 445 Ca 0.00 -1.94 -0.07 0.00 2.13 0.00 0.00 52.55 52.67 3a1e s ASP 445 Cb 0.00 -2.51 0.14 0.00 -1.45 0.00 0.00 42.92 39.10 3a1e s ASP 445 CO 0.00 -1.25 1.65 -0.33 0.13 0.00 0.00 175.17 175.37 3a1e h GLU 446 N 8.89 0.96 -0.31 4.34 5.08 -1.95 -2.18 114.58 129.42 3a1e h GLU 446 Ca 0.24 -0.32 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3a1e h GLU 446 Cb 0.98 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 3a1e h GLU 446 CO 1.33 0.99 0.04 -0.09 -1.00 0.00 0.00 179.01 180.28 3a1e h ARG 447 N 0.87 0.51 -0.51 2.33 2.43 -1.99 -1.98 114.38 116.05 3a1e h ARG 447 Ca 0.15 -0.14 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 3a1e h ARG 447 Cb 0.60 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.07 3a1e h ARG 447 CO 0.04 0.61 -0.06 1.49 -1.51 0.00 0.00 179.97 180.55 3a1e h GLU 448 N 0.33 0.90 -0.26 0.20 4.57 -1.96 0.98 114.58 119.34 3a1e h GLU 448 Ca 0.09 -0.29 0.05 0.00 -1.18 0.00 0.00 59.36 58.04 3a1e h GLU 448 Cb 0.35 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.82 3a1e h GLU 448 CO 0.01 0.93 -0.05 1.25 -1.18 0.00 0.00 179.01 179.97 3a1e h LEU 449 N 0.82 -0.21 -0.59 1.64 5.85 -1.34 -1.62 115.31 119.86 3a1e h LEU 449 Ca 0.14 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 3a1e h LEU 449 Cb 0.56 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3a1e h LEU 449 CO 0.03 -0.07 0.03 0.25 -0.34 0.00 0.00 178.44 178.34 3a1e h LEU 450 N 0.02 1.01 -0.49 2.25 5.85 -1.11 -2.47 115.31 120.36 3a1e h LEU 450 Ca 0.12 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 3a1e h LEU 450 Cb 0.18 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3a1e h LEU 450 CO -0.25 1.05 0.27 -0.09 -0.34 0.00 0.00 178.44 179.08 3a1e h ARG 451 N 0.93 0.69 -0.28 1.25 2.43 -0.62 -1.38 114.38 117.40 3a1e h ARG 451 Ca 0.17 -0.08 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3a1e h ARG 451 Cb 0.52 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 3a1e h ARG 451 CO 0.03 0.55 0.09 -0.07 -1.51 0.00 0.00 179.97 179.06 3a1e h LEU 452 N 0.66 0.40 -0.99 3.80 3.38 -1.23 -2.85 115.31 118.48 3a1e h LEU 452 Ca 0.17 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 3a1e h LEU 452 Cb 0.06 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3a1e h LEU 452 CO -0.03 0.48 0.02 0.00 0.09 0.00 0.00 178.44 179.00 3a1e h ALA 453 N 0.93 1.16 -0.12 1.53 0.00 -1.32 -2.65 119.26 118.79 3a1e h ALA 453 Ca 0.09 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3a1e h ALA 453 Cb 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3a1e h ALA 453 CO -0.00 0.55 -0.21 0.00 0.00 0.00 0.00 179.25 179.58 3a1e h ALA 454 N 1.31 1.42 0.15 0.00 0.00 -1.20 -1.62 119.26 119.32 3a1e h ALA 454 Ca 0.14 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3a1e h ALA 454 Cb 0.41 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3a1e h ALA 454 CO 0.02 0.41 -0.14 0.82 0.00 0.00 0.00 179.25 180.36 3a1e h ILE 455 N 0.19 0.70 0.00 0.00 2.04 -1.23 -2.83 117.51 116.39 3a1e h ILE 455 Ca 0.03 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.85 3a1e h ILE 455 Cb 0.48 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3a1e h ILE 455 CO 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 178.15 177.99 3a1e h ALA 456 N 0.52 1.19 -0.10 1.87 0.00 -1.37 -3.05 119.26 118.31 3a1e h ALA 456 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3a1e h ALA 456 Cb 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3a1e h ALA 456 CO -0.03 0.24 0.00 0.39 0.00 0.00 0.00 179.25 179.86 3a1e n GLU 457 N -3.59 2.12 -0.32 0.00 -0.58 -0.64 -4.47 120.64 113.16 3a1e n GLU 457 Ca -0.01 -1.65 -0.03 0.00 -0.42 0.00 0.00 57.16 55.06 3a1e n GLU 457 Cb 0.33 -1.47 0.10 0.00 -0.57 0.00 0.00 31.44 29.83 3a1e n GLU 457 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3a1e h ARG 458 N 3.78 1.10 -0.00 3.49 9.65 -1.39 -3.08 114.38 127.93 3a1e h ARG 458 Ca 0.00 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.81 3a1e h ARG 458 Cb 0.81 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 3a1e h ARG 458 CO 0.00 0.73 -0.32 0.54 2.80 0.00 0.00 179.97 183.71 3a1e n ARG 459 N -4.51 0.35 -3.84 0.20 5.12 -1.26 -4.94 116.66 107.78 3a1e n ARG 459 Ca 0.10 -0.18 -0.35 0.00 -1.93 0.00 0.00 57.85 55.49 3a1e n ARG 459 Cb 0.05 -1.50 -0.08 0.00 -1.16 0.00 0.00 32.46 29.77 3a1e n ARG 459 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3a1e s SER 460 N -2.77 6.07 0.00 0.55 0.01 -1.16 -4.99 113.70 111.41 3a1e s SER 460 Ca 0.18 0.23 0.31 0.00 1.31 0.00 0.00 55.95 57.98 3a1e s SER 460 Cb 0.19 -2.04 1.70 0.00 0.21 0.00 0.00 66.02 66.08 3a1e s SER 460 CO 0.60 0.22 2.13 1.21 0.41 0.00 0.00 173.24 177.82 3a1e n GLU 461 N 3.21 0.74 -1.91 12.44 2.13 -1.26 -4.51 120.64 131.49 3a1e n GLU 461 Ca -0.17 -0.02 -0.40 0.00 0.66 0.00 0.00 57.16 57.23 3a1e n GLU 461 Cb 0.53 -1.50 -0.00 0.00 0.27 0.00 0.00 31.44 30.73 3a1e n GLU 461 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3a1e s GLN 462 N -2.27 4.05 0.30 5.31 -0.44 -1.26 -4.83 119.66 120.51 3a1e s GLN 462 Ca 0.39 2.40 0.05 0.00 -2.50 0.00 0.00 55.36 55.70 3a1e s GLN 462 Cb 0.21 -2.89 0.73 0.00 -1.64 0.00 0.00 33.01 29.42 3a1e s GLN 462 CO 0.41 -0.51 1.74 -1.00 0.50 0.00 0.00 175.29 176.43 3a1e h PRO 463 N 2.89 0.59 -0.35 1.67 0.13 -1.99 -1.35 132.00 133.59 3a1e h PRO 463 Ca -0.50 -0.04 -0.03 0.00 -0.87 0.00 0.00 66.00 64.56 3a1e h PRO 463 Cb 1.24 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3a1e h PRO 463 CO 0.64 0.39 0.09 0.82 -0.23 0.00 0.00 178.00 179.70 3a1e h ILE 464 N 0.61 1.22 -0.31 -3.56 2.04 -1.97 -2.10 117.51 113.44 3a1e h ILE 464 Ca 0.57 -0.74 0.04 0.00 1.00 0.00 0.00 64.86 65.73 3a1e h ILE 464 Cb 0.97 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 3a1e h ILE 464 CO -0.44 0.25 0.07 0.00 0.00 0.00 0.00 178.15 178.04 3a1e h ALA 465 N 0.93 0.34 -0.60 1.87 0.00 -1.67 -1.32 119.26 118.81 3a1e h ALA 465 Ca 0.11 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3a1e h ALA 465 Cb 0.29 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3a1e h ALA 465 CO 0.00 -0.33 0.04 0.93 0.00 0.00 0.00 179.25 179.89 3a1e h GLU 466 N 0.19 1.01 -0.57 0.00 5.08 -1.23 -0.79 114.58 118.27 3a1e h GLU 466 Ca 0.15 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3a1e h GLU 466 Cb 0.15 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 3a1e h GLU 466 CO -0.18 0.97 0.27 0.00 -1.00 0.00 0.00 179.01 179.07 3a1e h ALA 467 N 1.10 0.74 -0.23 3.43 0.00 -1.14 -0.89 119.26 122.26 3a1e h ALA 467 Ca 0.18 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3a1e h ALA 467 Cb 0.49 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3a1e h ALA 467 CO 0.02 0.30 -0.06 0.82 0.00 0.00 0.00 179.25 180.34 3a1e h ILE 468 N 0.77 1.28 -0.41 0.00 2.04 -0.93 -0.97 117.51 119.29 3a1e h ILE 468 Ca 0.20 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.98 3a1e h ILE 468 Cb 0.13 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.70 3a1e h ILE 468 CO -0.02 0.33 0.20 0.58 0.00 0.00 0.00 178.15 179.23 3a1e h VAL 469 N 0.18 1.17 -0.35 1.67 2.07 -1.14 -0.92 116.25 118.94 3a1e h VAL 469 Ca 0.06 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.14 3a1e h VAL 469 Cb 0.52 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 30.98 3a1e h VAL 469 CO 0.02 0.18 0.10 0.50 0.02 0.00 0.00 177.57 178.40 3a1e h LYS 470 N 0.52 0.23 -0.68 1.57 3.64 -1.09 -1.31 116.57 119.45 3a1e h LYS 470 Ca 0.14 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3a1e h LYS 470 Cb 0.11 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3a1e h LYS 470 CO -0.02 0.15 0.29 -0.22 -2.27 0.00 0.00 179.45 177.39 3a1e h LYS 471 N 0.24 1.01 -0.31 1.90 1.63 -0.92 -0.40 116.57 119.73 3a1e h LYS 471 Ca 0.16 -0.17 0.04 0.00 -0.85 0.00 0.00 60.65 59.82 3a1e h LYS 471 Cb 0.15 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 3a1e h LYS 471 CO -0.18 0.83 0.09 0.00 -3.45 0.00 0.00 179.45 176.74 3a1e h ALA 472 N 1.13 0.34 -0.53 5.00 0.00 -0.84 -1.60 119.26 122.77 3a1e h ALA 472 Ca 0.23 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3a1e h ALA 472 Cb 0.18 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3a1e h ALA 472 CO -0.02 -0.31 0.33 -0.07 0.00 0.00 0.00 179.25 179.18 3a1e h LEU 473 N 0.22 0.62 -1.56 0.00 3.38 -0.93 -0.67 115.31 116.36 3a1e h LEU 473 Ca 0.14 -0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.17 3a1e h LEU 473 Cb 0.12 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3a1e h LEU 473 CO -0.15 0.48 0.44 -0.33 0.09 0.00 0.00 178.44 178.97 3a1e h GLU 474 N 0.71 0.47 -0.12 1.13 5.08 -0.68 -0.62 114.58 120.56 3a1e h GLU 474 Ca 0.19 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3a1e h GLU 474 Cb -0.04 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.10 3a1e h GLU 474 CO -0.04 0.31 0.00 0.72 -1.00 0.00 0.00 179.01 179.00 3a1e n HIS 475 N -4.48 0.15 -2.12 4.33 8.25 -0.64 -4.94 115.22 115.78 3a1e n HIS 475 Ca 0.11 -0.07 -0.07 0.00 -0.26 0.00 0.00 57.72 57.43 3a1e n HIS 475 Cb 0.38 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.48 3a1e n HIS 475 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a1e n GLY 476 N 1.19 0.11 3.77 -1.41 0.00 -0.24 -5.02 105.19 103.59 3a1e n GLY 476 Ca 0.17 -0.62 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 3a1e n GLY 476 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1e s ILE 477 N -2.33 4.66 0.10 -0.61 1.01 -0.33 -5.02 121.20 118.69 3a1e s ILE 477 Ca 0.00 1.52 -0.31 0.00 0.00 0.00 0.00 60.65 61.87 3a1e s ILE 477 Cb 0.00 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.33 3a1e s ILE 477 CO 0.00 0.45 1.59 -0.70 0.00 0.00 0.00 174.94 176.27 3a1e s GLU 478 N -0.54 4.22 -0.18 2.79 2.12 -1.26 -4.50 118.70 121.34 3a1e s GLU 478 Ca 0.35 2.29 -0.29 0.00 0.36 0.00 0.00 54.97 57.68 3a1e s GLU 478 Cb -0.21 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.74 3a1e s GLU 478 CO 0.22 -0.66 1.00 -0.51 -0.54 0.00 0.00 175.26 174.77 3a1e s LEU 479 N 2.06 4.15 0.69 2.70 1.43 -1.26 -4.95 118.68 123.51 3a1e s LEU 479 Ca 0.71 1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 55.10 3a1e s LEU 479 Cb -0.40 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.32 3a1e s LEU 479 CO 0.31 -0.57 1.07 -0.83 0.23 0.00 0.00 176.35 176.56 3a1e s GLY 480 N 1.17 1.65 -0.42 -3.19 0.00 -1.26 -5.05 107.32 100.22 3a1e s GLY 480 Ca 0.44 -0.11 -0.00 0.00 0.00 0.00 0.00 44.72 45.06 3a1e s GLY 480 CO 0.10 0.22 0.18 -0.54 0.00 0.00 0.00 173.10 173.07 3a1e s GLU 481 N -5.17 1.89 0.31 2.90 0.41 -1.26 -4.82 118.70 112.96 3a1e s GLU 481 Ca 0.58 -1.98 -0.28 0.00 -0.41 0.00 0.00 54.97 52.87 3a1e s GLU 481 Cb -0.13 -3.46 -0.09 0.00 -1.78 0.00 0.00 34.13 28.67 3a1e s GLU 481 CO 0.54 -1.04 1.08 -1.25 -0.49 0.00 0.00 175.26 174.10 3a1e s PRO 482 N 0.82 4.51 0.11 0.39 0.04 -1.26 -4.94 135.00 134.67 3a1e s PRO 482 Ca 0.11 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.72 3a1e s PRO 482 Cb -0.22 -3.02 -0.05 0.00 0.04 0.00 0.00 34.50 31.25 3a1e s PRO 482 CO -0.05 0.12 1.51 1.49 0.04 0.00 0.00 177.00 180.11 3a1e h GLU 483 N 3.47 0.66 -3.66 4.56 4.81 -1.97 -3.44 114.58 119.00 3a1e h GLU 483 Ca -0.47 -0.25 -0.27 0.00 -0.13 0.00 0.00 59.36 58.24 3a1e h GLU 483 Cb 1.21 -0.04 -0.31 0.00 0.63 0.00 0.00 28.75 30.25 3a1e h GLU 483 CO 0.66 0.82 -0.73 0.15 -0.73 0.00 0.00 179.01 179.18 3a1e s LYS 484 N -4.79 0.01 -0.05 1.92 1.02 -1.26 -5.10 119.74 111.48 3a1e s LYS 484 Ca -0.13 0.07 0.03 0.00 0.02 0.00 0.00 55.97 55.97 3a1e s LYS 484 Cb 0.09 -0.13 0.00 0.00 -0.52 0.00 0.00 37.83 37.27 3a1e s LYS 484 CO 0.79 -0.07 -0.14 0.08 -0.92 0.00 0.00 175.35 175.09 3a1e s VAL 485 N 0.47 1.24 -0.19 3.17 1.01 -1.26 -3.22 120.40 121.62 3a1e s VAL 485 Ca -0.04 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 3a1e s VAL 485 Cb -0.06 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 3a1e s VAL 485 CO -0.01 0.37 0.00 -0.70 0.00 0.00 0.00 175.10 174.76 3a1e s GLU 486 N 0.33 3.70 -0.30 2.72 2.12 0.42 -4.95 118.70 122.73 3a1e s GLU 486 Ca -0.09 -0.49 -0.09 0.00 0.36 0.00 0.00 54.97 54.67 3a1e s GLU 486 Cb -0.13 -3.06 -0.01 0.00 0.26 0.00 0.00 34.13 31.19 3a1e s GLU 486 CO 0.03 0.12 0.12 0.08 -0.54 0.00 0.00 175.26 175.07 3a1e s VAL 487 N 0.73 4.39 -0.29 3.70 1.01 -1.26 -1.09 120.40 127.58 3a1e s VAL 487 Ca 0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 3a1e s VAL 487 Cb -0.14 -3.22 0.01 0.00 0.00 0.00 0.00 36.38 33.04 3a1e s VAL 487 CO 0.02 0.11 0.06 -0.63 0.00 0.00 0.00 175.10 174.67 3a1e s ILE 488 N 1.58 3.81 0.13 2.22 1.01 -0.23 -5.02 121.20 124.70 3a1e s ILE 488 Ca 0.04 -0.76 -0.35 0.00 0.00 0.00 0.00 60.65 59.58 3a1e s ILE 488 Cb -0.17 -2.97 -0.15 0.00 0.01 0.00 0.00 42.46 39.17 3a1e s ILE 488 CO 0.05 0.08 1.40 0.00 0.00 0.00 0.00 174.94 176.47 3a1e n ALA 489 N 4.84 -0.08 -0.99 9.38 0.00 -1.26 -1.33 120.51 131.06 3a1e n ALA 489 Ca -0.15 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3a1e n ALA 489 Cb 0.48 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.76 3a1e n ALA 489 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1e n GLY 490 N 2.73 0.37 1.54 0.00 0.00 -1.26 -4.79 105.19 103.78 3a1e n GLY 490 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3a1e n GLY 490 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a1e n GLU 491 N -1.80 0.00 0.00 1.61 1.02 -0.44 -4.80 120.64 116.22 3a1e n GLU 491 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3a1e n GLU 491 Cb 0.14 -0.24 0.00 0.00 -0.02 0.00 0.00 31.44 31.32 3a1e n GLU 491 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a1e n GLY 492 N 2.40 0.28 3.32 0.62 0.00 -0.86 -1.49 105.19 109.45 3a1e n GLY 492 Ca 0.00 -1.26 -0.23 0.00 0.00 0.00 0.00 46.02 44.53 3a1e n GLY 492 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a1e s VAL 493 N -4.00 1.78 -0.09 1.61 -7.23 -0.24 -1.07 120.40 111.16 3a1e s VAL 493 Ca 0.00 -1.77 -0.01 0.00 -1.81 0.00 0.00 61.98 58.39 3a1e s VAL 493 Cb 0.00 -1.73 0.03 0.00 0.56 0.00 0.00 36.38 35.24 3a1e s VAL 493 CO 0.00 -0.21 -0.01 -0.69 -0.31 0.00 0.00 175.10 173.88 3a1e s VAL 494 N -1.69 0.51 -0.04 1.32 1.01 -0.25 -1.67 120.40 119.59 3a1e s VAL 494 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 3a1e s VAL 494 Cb -0.07 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.66 3a1e s VAL 494 CO 0.06 0.24 0.05 0.00 0.00 0.00 0.00 175.10 175.45 3a1e s ALA 495 N 1.91 0.26 -1.62 5.51 0.00 0.15 -0.44 121.76 127.53 3a1e s ALA 495 Ca 0.04 0.17 -0.06 0.00 0.00 0.00 0.00 51.96 52.12 3a1e s ALA 495 Cb -0.13 -0.61 0.06 0.00 0.00 0.00 0.00 23.12 22.44 3a1e s ALA 495 CO -0.06 -0.47 0.18 -0.25 0.00 0.00 0.00 175.76 175.16 3a1e n ASP 496 N 5.24 0.14 0.00 0.00 8.00 -1.20 -0.08 116.55 128.65 3a1e n ASP 496 Ca -0.04 -1.25 0.00 0.00 0.71 0.00 0.00 54.79 54.21 3a1e n ASP 496 Cb 0.50 -1.73 0.00 0.00 -0.02 0.00 0.00 41.12 39.87 3a1e n ASP 496 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a1e n GLY 497 N -2.18 1.25 3.78 0.44 0.00 -1.26 -5.04 105.19 102.18 3a1e n GLY 497 Ca -0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.44 3a1e n GLY 497 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1e s ILE 498 N -2.83 5.36 -0.08 -0.61 1.01 0.89 -3.26 121.20 121.68 3a1e s ILE 498 Ca 0.00 0.38 0.02 0.00 0.00 0.00 0.00 60.65 61.04 3a1e s ILE 498 Cb 0.00 -3.53 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 3a1e s ILE 498 CO 0.00 0.49 -0.12 -0.76 0.00 0.00 0.00 174.94 174.54 3a1e s LEU 499 N -0.12 2.82 -0.15 2.97 1.02 0.12 -0.68 118.68 124.67 3a1e s LEU 499 Ca 0.14 -0.20 -0.02 0.00 0.02 0.00 0.00 54.13 54.07 3a1e s LEU 499 Cb -0.12 -1.60 0.05 0.00 0.02 0.00 0.00 46.19 44.53 3a1e s LEU 499 CO 0.03 0.29 0.01 -0.69 0.02 0.00 0.00 176.35 176.01 3a1e s VAL 500 N -0.39 0.56 -1.54 -1.59 1.01 -0.67 -0.59 120.40 117.20 3a1e s VAL 500 Ca 0.05 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.69 3a1e s VAL 500 Cb -0.12 -0.90 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3a1e s VAL 500 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.74 3a1e n GLY 501 N 5.06 -0.58 1.41 4.51 0.00 -0.62 -1.08 105.19 113.89 3a1e n GLY 501 Ca -0.09 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 3a1e n GLY 501 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3a1e n ASN 502 N 0.00 0.44 0.21 1.61 0.23 -0.55 -0.33 115.26 116.87 3a1e n ASN 502 Ca 0.00 -1.39 0.04 0.00 -0.53 0.00 0.00 54.58 52.70 3a1e n ASN 502 Cb 0.00 -0.25 0.46 0.00 -2.08 0.00 0.00 39.78 37.91 3a1e n ASN 502 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3a1e h LYS 503 N 0.00 0.01 -0.81 -3.83 1.57 -1.94 -1.93 116.57 109.63 3a1e h LYS 503 Ca -0.12 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 3a1e h LYS 503 Cb 0.44 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 3a1e h LYS 503 CO 0.13 0.24 0.46 -0.09 -0.57 0.00 0.00 179.45 179.62 3a1e h ARG 504 N 0.01 1.12 -0.13 3.15 2.43 -1.91 0.17 114.38 119.22 3a1e h ARG 504 Ca -0.00 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.03 3a1e h ARG 504 Cb 0.42 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 3a1e h ARG 504 CO 0.03 0.81 0.02 1.25 -1.51 0.00 0.00 179.97 180.57 3a1e h LEU 505 N 1.13 0.21 -0.51 3.80 5.85 -1.59 -0.89 115.31 123.31 3a1e h LEU 505 Ca 0.29 -0.27 0.05 0.00 0.84 0.00 0.00 57.88 58.79 3a1e h LEU 505 Cb 0.00 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 3a1e h LEU 505 CO -0.05 0.43 0.24 0.24 -0.34 0.00 0.00 178.44 178.95 3a1e h MET 506 N -0.01 0.44 -0.44 1.25 2.86 -1.08 -2.27 114.93 115.69 3a1e h MET 506 Ca 0.04 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.66 3a1e h MET 506 Cb 0.31 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.84 3a1e h MET 506 CO 0.00 0.29 0.27 1.49 1.06 0.00 0.00 176.91 180.03 3a1e h GLU 507 N 0.46 0.54 -0.74 1.72 4.81 -0.61 0.72 114.58 121.48 3a1e h GLU 507 Ca 0.23 -0.03 0.15 0.00 -0.13 0.00 0.00 59.36 59.58 3a1e h GLU 507 Cb 0.18 -0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 3a1e h GLU 507 CO -0.18 0.36 0.50 0.22 -0.73 0.00 0.00 179.01 179.17 3a1e h ASP 508 N 0.55 0.37 -0.46 1.04 3.58 -0.61 -2.06 116.42 118.82 3a1e h ASP 508 Ca 0.17 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.64 3a1e h ASP 508 Cb -0.03 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 40.97 3a1e h ASP 508 CO -0.06 0.19 0.00 0.49 -2.88 0.00 0.00 179.24 176.98 3a1e n PHE 509 N -4.47 0.66 -2.80 0.28 3.72 -0.91 -4.98 117.46 108.96 3a1e n PHE 509 Ca 0.14 -0.52 -0.20 0.00 -0.05 0.00 0.00 57.45 56.82 3a1e n PHE 509 Cb 0.53 -0.04 0.02 0.00 -0.94 0.00 0.00 39.48 39.06 3a1e n PHE 509 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a1e n GLY 510 N 0.81 -0.42 3.64 1.37 0.00 -0.43 -4.99 105.19 105.17 3a1e n GLY 510 Ca 0.16 0.02 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 3a1e n GLY 510 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1e s VAL 511 N -3.09 5.02 0.22 1.61 1.01 0.12 -5.01 120.40 120.27 3a1e s VAL 511 Ca 0.21 1.13 -0.30 0.00 0.00 0.00 0.00 61.98 63.02 3a1e s VAL 511 Cb -0.09 -3.93 -0.09 0.00 0.00 0.00 0.00 36.38 32.28 3a1e s VAL 511 CO 0.25 0.08 1.28 0.00 0.00 0.00 0.00 175.10 176.72 3a1e s ALA 512 N 2.13 3.50 -0.37 5.51 0.00 -1.26 -4.40 121.76 126.88 3a1e s ALA 512 Ca 0.27 1.09 -0.06 0.00 0.00 0.00 0.00 51.96 53.26 3a1e s ALA 512 Cb -0.16 -3.46 0.07 0.00 0.00 0.00 0.00 23.12 19.57 3a1e s ALA 512 CO 0.09 -0.50 0.16 0.08 0.00 0.00 0.00 175.76 175.59 3a1e s VAL 513 N -0.16 3.72 0.94 0.00 1.01 -1.26 -4.65 120.40 120.00 3a1e s VAL 513 Ca 0.54 -1.42 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 3a1e s VAL 513 Cb -0.36 -3.24 0.16 0.00 0.00 0.00 0.00 36.38 32.93 3a1e s VAL 513 CO 0.40 -0.36 1.12 -0.94 0.00 0.00 0.00 175.10 175.31 3a1e s SER 514 N 1.68 3.17 0.21 3.32 1.04 -1.26 -4.80 113.70 117.06 3a1e s SER 514 Ca 0.01 1.08 -0.10 0.00 0.48 0.00 0.00 55.95 57.43 3a1e s SER 514 Cb -0.21 -1.71 0.18 0.00 0.10 0.00 0.00 66.02 64.38 3a1e s SER 514 CO 0.01 -2.78 1.87 0.78 0.98 0.00 0.00 173.24 174.10 3a1e h ASN 515 N -1.65 0.82 -0.76 7.02 2.35 -1.98 -1.04 115.58 120.34 3a1e h ASN 515 Ca -0.52 -0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.26 3a1e h ASN 515 Cb 1.33 -0.19 -0.05 0.00 0.05 0.00 0.00 38.32 39.45 3a1e h ASN 515 CO 0.60 0.58 0.48 -0.08 -1.65 0.00 0.00 177.43 177.36 3a1e h GLU 516 N 0.97 0.89 0.05 0.81 4.81 -1.99 0.19 114.58 120.31 3a1e h GLU 516 Ca 0.29 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3a1e h GLU 516 Cb -0.05 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.13 3a1e h GLU 516 CO -0.09 0.59 -0.03 0.28 -0.73 0.00 0.00 179.01 179.04 3a1e h VAL 517 N 0.91 1.10 -1.00 0.32 2.07 -1.83 -2.17 116.25 115.65 3a1e h VAL 517 Ca 0.31 -0.50 0.11 0.00 0.82 0.00 0.00 66.70 67.44 3a1e h VAL 517 Cb 0.06 1.43 -0.08 0.00 -1.52 0.00 0.00 31.29 31.17 3a1e h VAL 517 CO -0.13 0.13 0.64 -0.33 0.02 0.00 0.00 177.57 177.89 3a1e h GLU 518 N -0.29 1.01 -0.55 1.57 4.39 -0.89 0.60 114.58 120.41 3a1e h GLU 518 Ca -0.01 -0.06 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 3a1e h GLU 518 Cb 0.26 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.66 3a1e h GLU 518 CO 0.01 0.67 0.15 -0.07 -1.16 0.00 0.00 179.01 178.61 3a1e h LEU 519 N 1.04 0.82 -0.81 1.33 3.38 -0.93 -1.02 115.31 119.13 3a1e h LEU 519 Ca 0.48 -0.22 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 3a1e h LEU 519 Cb 0.42 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 3a1e h LEU 519 CO -0.24 0.83 0.04 0.00 0.09 0.00 0.00 178.44 179.16 3a1e h ALA 520 N 1.03 1.01 -0.71 1.53 0.00 -0.58 -2.16 119.26 119.38 3a1e h ALA 520 Ca 0.18 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 3a1e h ALA 520 Cb 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3a1e h ALA 520 CO -0.00 0.62 0.21 -0.07 0.00 0.00 0.00 179.25 180.00 3a1e h LEU 521 N 0.87 1.03 -0.45 0.00 3.38 -0.73 -1.75 115.31 117.66 3a1e h LEU 521 Ca 0.17 -0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3a1e h LEU 521 Cb 0.46 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3a1e h LEU 521 CO 0.02 0.96 0.15 -0.08 0.09 0.00 0.00 178.44 179.58 3a1e h GLU 522 N 1.05 0.70 -0.50 1.13 4.81 -0.95 -0.20 114.58 120.62 3a1e h GLU 522 Ca 0.23 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 3a1e h GLU 522 Cb 0.31 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3a1e h GLU 522 CO -0.01 0.66 0.23 -0.22 -0.73 0.00 0.00 179.01 178.94 3a1e h LYS 523 N 0.59 0.73 -0.08 1.92 3.64 -1.24 -1.84 116.57 120.28 3a1e h LYS 523 Ca 0.15 -0.12 -0.09 0.00 -1.27 0.00 0.00 60.65 59.32 3a1e h LYS 523 Cb 0.25 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 3a1e h LYS 523 CO -0.01 0.63 -0.31 -0.07 -2.27 0.00 0.00 179.45 177.42 3a1e h LEU 524 N 0.67 0.42 -1.04 5.20 3.38 -1.18 -3.12 115.31 119.63 3a1e h LEU 524 Ca 0.17 -0.62 -0.09 0.00 0.09 0.00 0.00 57.88 57.42 3a1e h LEU 524 Cb 0.15 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3a1e h LEU 524 CO -0.02 0.97 -0.34 -0.33 0.09 0.00 0.00 178.44 178.81 3a1e h GLU 525 N -0.11 0.25 0.00 1.13 5.08 -1.05 -1.56 114.58 118.33 3a1e h GLU 525 Ca -0.02 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 3a1e h GLU 525 Cb 0.95 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 3a1e h GLU 525 CO 0.07 0.57 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.47 3a1e h ARG 526 N 0.22 0.00 -0.26 2.33 2.43 -1.38 0.08 114.38 117.81 3a1e h ARG 526 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3a1e h ARG 526 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 3a1e h ARG 526 CO 0.05 0.09 0.00 0.39 -1.51 0.00 0.00 179.97 178.99 3a1e n GLU 527 N -4.06 1.35 -3.22 0.20 1.02 -0.59 -4.89 120.64 110.45 3a1e n GLU 527 Ca -0.03 -0.46 -0.16 0.00 -0.02 0.00 0.00 57.16 56.49 3a1e n GLU 527 Cb 0.17 -1.18 0.06 0.00 -0.02 0.00 0.00 31.44 30.47 3a1e n GLU 527 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a1e n ALA 528 N -0.09 -0.96 -2.43 0.62 0.00 0.01 -5.04 120.51 112.62 3a1e n ALA 528 Ca 0.04 0.24 -0.29 0.00 0.00 0.00 0.00 53.44 53.44 3a1e n ALA 528 Cb 0.15 -3.71 -0.12 0.00 0.00 0.00 0.00 19.45 15.77 3a1e n ALA 528 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3a1e s LYS 529 N -5.79 1.56 -0.10 0.00 1.02 -1.19 -4.77 119.74 110.47 3a1e s LYS 529 Ca 0.36 -1.32 -0.25 0.00 0.02 0.00 0.00 55.97 54.78 3a1e s LYS 529 Cb -0.16 -1.97 -0.03 0.00 -0.52 0.00 0.00 37.83 35.16 3a1e s LYS 529 CO 0.50 0.45 0.79 0.99 -0.92 0.00 0.00 175.35 177.16 3a1e s THR 530 N -1.20 4.96 -0.11 2.17 2.01 0.15 -4.19 115.64 119.42 3a1e s THR 530 Ca 0.17 1.59 0.02 0.00 0.31 0.00 0.00 61.69 63.78 3a1e s THR 530 Cb -0.10 -4.11 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 3a1e s THR 530 CO 0.08 0.15 -0.18 0.00 -0.69 0.00 0.00 174.62 173.98 3a1e s ALA 531 N 1.37 2.44 0.13 7.40 0.00 -1.26 0.70 121.76 132.54 3a1e s ALA 531 Ca 0.40 -0.93 0.10 0.00 0.00 0.00 0.00 51.96 51.53 3a1e s ALA 531 Cb -0.18 -1.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.87 3a1e s ALA 531 CO 0.17 0.28 -0.21 0.14 0.00 0.00 0.00 175.76 176.15 3a1e s VAL 532 N 0.28 2.64 -0.13 0.00 -7.23 0.51 -4.85 120.40 111.62 3a1e s VAL 532 Ca -0.13 -1.64 -0.11 0.00 -1.81 0.00 0.00 61.98 58.30 3a1e s VAL 532 Cb -0.16 -2.21 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 3a1e s VAL 532 CO 0.07 0.07 0.22 -0.63 -0.31 0.00 0.00 175.10 174.51 3a1e s ILE 533 N -1.19 5.36 -0.17 -0.62 1.01 0.56 -1.05 121.20 125.09 3a1e s ILE 533 Ca 0.17 0.39 -0.05 0.00 0.00 0.00 0.00 60.65 61.16 3a1e s ILE 533 Cb -0.10 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.81 3a1e s ILE 533 CO 0.09 0.51 0.00 -0.69 0.00 0.00 0.00 174.94 174.86 3a1e s VAL 534 N -0.34 4.19 0.04 2.92 1.01 0.13 -1.59 120.40 126.76 3a1e s VAL 534 Ca 0.15 -0.25 0.04 0.00 0.00 0.00 0.00 61.98 61.93 3a1e s VAL 534 Cb -0.13 -2.86 -0.02 0.00 0.00 0.00 0.00 36.38 33.37 3a1e s VAL 534 CO 0.04 0.47 -0.13 0.00 0.00 0.00 0.00 175.10 175.48 3a1e s ALA 535 N 0.48 1.05 -0.02 5.51 0.00 0.24 0.48 121.76 129.49 3a1e s ALA 535 Ca -0.01 -0.80 0.01 0.00 0.00 0.00 0.00 51.96 51.16 3a1e s ALA 535 Cb -0.14 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.86 3a1e s ALA 535 CO 0.02 0.18 -0.02 -0.98 0.00 0.00 0.00 175.76 174.96 3a1e s ARG 536 N -1.19 0.40 -1.32 0.00 1.70 -0.58 0.16 118.95 118.13 3a1e s ARG 536 Ca -0.00 -0.02 -0.03 0.00 -0.47 0.00 0.00 55.73 55.21 3a1e s ARG 536 Cb -0.08 -0.50 0.01 0.00 -0.57 0.00 0.00 34.95 33.82 3a1e s ARG 536 CO 0.01 -0.06 0.88 0.09 -1.08 0.00 0.00 175.30 175.14 3a1e n ASN 537 N 3.79 -2.52 -0.05 -2.89 3.02 -1.20 -2.55 115.26 112.85 3a1e n ASN 537 Ca -0.23 -0.73 -0.01 0.00 -0.03 0.00 0.00 54.58 53.59 3a1e n ASN 537 Cb 0.53 -4.45 -0.00 0.00 -0.61 0.00 0.00 39.78 35.25 3a1e n ASN 537 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a1e n GLY 538 N -1.52 0.36 2.98 7.41 0.00 -1.26 -5.00 105.19 108.17 3a1e n GLY 538 Ca -0.21 -0.06 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 3a1e n GLY 538 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1e s ARG 539 N -0.95 1.52 0.15 1.61 1.81 -1.06 -4.52 118.95 117.51 3a1e s ARG 539 Ca 0.00 -0.33 -0.32 0.00 -1.72 0.00 0.00 55.73 53.36 3a1e s ARG 539 Cb 0.00 -1.35 -0.12 0.00 -0.45 0.00 0.00 34.95 33.03 3a1e s ARG 539 CO 0.00 -0.05 1.75 0.28 -0.68 0.00 0.00 175.30 176.60 3a1e n VAL 540 N 4.10 0.18 -0.05 3.52 0.31 -1.26 -1.52 118.33 123.60 3a1e n VAL 540 Ca -0.21 -0.03 -0.12 0.00 -0.01 0.00 0.00 64.34 63.97 3a1e n VAL 540 Cb 0.51 -1.96 -0.14 0.00 -0.91 0.00 0.00 33.84 31.34 3a1e n VAL 540 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3a1e n GLU 541 N 4.69 0.67 -3.73 5.55 -0.58 0.18 -4.89 120.64 122.53 3a1e n GLU 541 Ca 0.17 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 57.10 3a1e n GLU 541 Cb 0.34 -1.67 0.00 0.00 -0.57 0.00 0.00 31.44 29.54 3a1e n GLU 541 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a1e n GLY 542 N 1.76 -1.20 3.08 0.62 0.00 -1.01 -1.52 105.19 106.92 3a1e n GLY 542 Ca -0.27 -1.09 -0.23 0.00 0.00 0.00 0.00 46.02 44.43 3a1e n GLY 542 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1e s ILE 543 N -3.00 1.09 -0.12 -0.61 1.01 -0.20 -0.69 121.20 118.67 3a1e s ILE 543 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 60.65 60.11 3a1e s ILE 543 Cb 0.00 -0.93 -0.00 0.00 0.01 0.00 0.00 42.46 41.54 3a1e s ILE 543 CO 0.00 0.32 -0.19 -0.63 0.00 0.00 0.00 174.94 174.44 3a1e s ILE 544 N -0.08 2.50 -0.09 2.92 1.01 -0.22 -0.13 121.20 127.10 3a1e s ILE 544 Ca 0.01 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.79 3a1e s ILE 544 Cb -0.08 -2.01 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 3a1e s ILE 544 CO 0.00 0.54 -0.01 0.00 0.00 0.00 0.00 174.94 175.47 3a1e s ALA 545 N 0.48 3.22 -0.03 9.38 0.00 -0.06 -0.36 121.76 134.39 3a1e s ALA 545 Ca -0.13 -0.82 0.05 0.00 0.00 0.00 0.00 51.96 51.06 3a1e s ALA 545 Cb -0.17 -1.46 -0.01 0.00 0.00 0.00 0.00 23.12 21.49 3a1e s ALA 545 CO 0.05 0.55 -0.18 0.08 0.00 0.00 0.00 175.76 176.26 3a1e s VAL 546 N -0.75 1.45 -0.03 0.00 1.01 0.22 -0.59 120.40 121.71 3a1e s VAL 546 Ca 0.12 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.41 3a1e s VAL 546 Cb -0.11 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.02 3a1e s VAL 546 CO 0.02 0.41 -0.21 -0.55 0.00 0.00 0.00 175.10 174.77 3a1e s SER 547 N -0.16 2.55 -0.12 3.32 0.15 -0.06 -0.67 113.70 118.71 3a1e s SER 547 Ca 0.01 -0.40 0.01 0.00 0.70 0.00 0.00 55.95 56.26 3a1e s SER 547 Cb -0.10 -0.39 0.02 0.00 -1.71 0.00 0.00 66.02 63.84 3a1e s SER 547 CO 0.01 0.25 -0.12 -0.62 1.20 0.00 0.00 173.24 173.96 3a1e s ASP 548 N -0.39 2.35 0.38 5.45 2.15 -1.26 -0.90 116.67 124.44 3a1e s ASP 548 Ca 0.05 -0.39 -0.26 0.00 0.43 0.00 0.00 52.55 52.38 3a1e s ASP 548 Cb -0.09 -1.01 -0.09 0.00 -0.30 0.00 0.00 42.92 41.43 3a1e s ASP 548 CO 0.00 -0.04 1.18 -0.89 -0.17 0.00 0.00 175.17 175.25 3a1e s THR 549 N 1.30 3.11 0.42 1.71 2.01 -1.26 -4.78 115.64 118.16 3a1e s THR 549 Ca -0.01 0.97 -0.26 0.00 0.31 0.00 0.00 61.69 62.70 3a1e s THR 549 Cb -0.14 -3.56 -0.10 0.00 0.01 0.00 0.00 72.50 68.72 3a1e s THR 549 CO -0.05 0.12 1.46 0.18 -0.69 0.00 0.00 174.62 175.63 3a1e n LEU 550 N 0.25 4.98 -4.74 4.42 4.77 -1.26 -1.14 117.00 124.27 3a1e n LEU 550 Ca 0.03 1.17 -0.39 0.00 -0.03 0.00 0.00 56.01 56.79 3a1e n LEU 550 Cb 0.46 -1.61 0.03 0.00 -2.33 0.00 0.00 43.42 39.97 3a1e n LEU 550 CO 0.52 -0.02 0.98 0.29 -1.33 0.00 0.00 177.39 177.83 3a1e n LYS 551 N 0.08 1.82 -0.21 3.23 5.02 0.73 -4.71 118.16 124.13 3a1e n LYS 551 Ca 0.03 0.66 0.18 0.00 -2.02 0.00 0.00 58.31 57.17 3a1e n LYS 551 Cb 0.40 -2.56 0.52 0.00 -0.02 0.00 0.00 35.03 33.37 3a1e n LYS 551 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3a1e h GLU 552 N 1.66 0.38 0.00 1.97 4.81 -1.93 -1.96 114.58 119.51 3a1e h GLU 552 Ca -0.50 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.70 3a1e h GLU 552 Cb 1.30 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.59 3a1e h GLU 552 CO 0.58 0.25 0.00 -1.13 -0.73 0.00 0.00 179.01 177.98 3a1e n SER 553 N -4.49 0.24 0.17 1.04 3.41 -1.26 -4.22 113.62 108.51 3a1e n SER 553 Ca 0.17 0.53 -0.14 0.00 -0.26 0.00 0.00 58.87 59.17 3a1e n SER 553 Cb 0.64 -0.59 -0.08 0.00 -0.26 0.00 0.00 64.21 63.92 3a1e n SER 553 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a1e h ALA 554 N 2.76 -0.43 0.09 7.33 0.00 -1.65 -1.72 119.26 125.64 3a1e h ALA 554 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3a1e h ALA 554 Cb 0.51 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 3a1e h ALA 554 CO 0.00 -0.64 -0.06 -0.22 0.00 0.00 0.00 179.25 178.33 3a1e h LYS 555 N -0.63 -0.14 -0.46 0.00 1.63 -1.77 -1.14 116.57 114.05 3a1e h LYS 555 Ca -0.04 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 3a1e h LYS 555 Cb 0.45 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.09 3a1e h LYS 555 CO 0.07 -0.10 0.27 -1.00 -3.45 0.00 0.00 179.45 175.24 3a1e h PRO 556 N -0.15 0.63 -0.03 1.90 0.13 -1.78 -1.11 132.00 131.59 3a1e h PRO 556 Ca -0.01 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.07 3a1e h PRO 556 Cb 0.13 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.12 3a1e h PRO 556 CO 0.01 0.45 0.00 0.00 -0.23 0.00 0.00 178.00 178.23 3a1e h ALA 557 N 1.66 0.04 -0.39 -0.56 0.00 -0.99 -2.17 119.26 116.84 3a1e h ALA 557 Ca 0.17 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.98 3a1e h ALA 557 Cb -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.72 3a1e h ALA 557 CO -0.03 -0.31 0.08 0.28 0.00 0.00 0.00 179.25 179.28 3a1e h VAL 558 N -0.24 0.81 -0.43 0.00 2.07 -1.11 -1.44 116.25 115.90 3a1e h VAL 558 Ca 0.01 -0.07 0.05 0.00 0.82 0.00 0.00 66.70 67.51 3a1e h VAL 558 Cb 0.31 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 30.61 3a1e h VAL 558 CO 0.00 0.04 0.16 1.56 0.02 0.00 0.00 177.57 179.35 3a1e h GLN 559 N 0.21 0.32 -0.48 1.57 4.20 -1.12 -0.70 115.11 119.11 3a1e h GLN 559 Ca 0.19 -0.02 -0.12 0.00 0.06 0.00 0.00 58.65 58.76 3a1e h GLN 559 Cb 0.22 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3a1e h GLN 559 CO -0.24 0.21 -0.17 1.49 -0.67 0.00 0.00 178.83 179.45 3a1e h GLU 560 N 0.33 0.96 -0.25 1.46 4.57 -1.11 -0.34 114.58 120.20 3a1e h GLU 560 Ca 0.20 -0.39 0.04 0.00 -1.18 0.00 0.00 59.36 58.02 3a1e h GLU 560 Cb 0.18 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.70 3a1e h GLU 560 CO -0.20 1.06 0.03 -0.07 -1.18 0.00 0.00 179.01 178.65 3a1e h LEU 561 N 0.82 -0.03 -0.63 1.64 4.07 -1.04 -1.86 115.31 118.27 3a1e h LEU 561 Ca 0.12 0.05 0.06 0.00 0.08 0.00 0.00 57.88 58.18 3a1e h LEU 561 Cb 0.74 0.07 -0.05 0.00 1.08 0.00 0.00 40.66 42.49 3a1e h LEU 561 CO 0.06 0.02 0.34 0.11 -1.08 0.00 0.00 178.44 177.89 3a1e h LYS 562 N 0.12 0.62 -0.01 1.13 1.57 -0.85 -1.39 116.57 117.77 3a1e h LYS 562 Ca 0.12 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3a1e h LYS 562 Cb 0.13 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 3a1e h LYS 562 CO -0.17 0.41 0.01 0.00 -0.57 0.00 0.00 179.45 179.13 3a1e h ARG 563 N 0.64 0.00 -0.00 3.15 3.08 -0.71 -0.06 114.38 120.47 3a1e h ARG 563 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 3a1e h ARG 563 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 3a1e h ARG 563 CO -0.18 0.00 -0.03 -1.33 -1.07 0.00 0.00 179.97 177.36 3a1e n MET 564 N -4.00 0.89 -0.70 0.04 2.81 -0.58 -4.89 117.12 110.68 3a1e n MET 564 Ca -0.03 -0.19 0.00 0.00 -1.81 0.00 0.00 57.70 55.67 3a1e n MET 564 Cb 0.09 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.11 3a1e n MET 564 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a1e n GLY 565 N 1.16 0.59 3.78 3.03 0.00 -0.04 -5.06 105.19 108.65 3a1e n GLY 565 Ca 0.19 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 3a1e n GLY 565 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1e s ILE 566 N -2.00 5.32 0.11 -0.61 1.01 -0.85 -4.98 121.20 119.20 3a1e s ILE 566 Ca 0.00 0.47 -0.31 0.00 0.00 0.00 0.00 60.65 60.81 3a1e s ILE 566 Cb 0.00 -3.57 -0.07 0.00 0.01 0.00 0.00 42.46 38.83 3a1e s ILE 566 CO 0.00 0.48 1.28 -0.54 0.00 0.00 0.00 174.94 176.16 3a1e s LYS 567 N -0.16 4.39 -0.11 2.79 1.02 -0.31 -3.86 119.74 123.50 3a1e s LYS 567 Ca 0.16 1.92 0.03 0.00 0.02 0.00 0.00 55.97 58.09 3a1e s LYS 567 Cb -0.13 -3.29 -0.01 0.00 -0.52 0.00 0.00 37.83 33.89 3a1e s LYS 567 CO 0.05 -0.30 -0.20 0.08 -0.92 0.00 0.00 175.35 174.06 3a1e s VAL 568 N 0.88 2.47 0.32 3.17 1.01 -1.26 -0.23 120.40 126.75 3a1e s VAL 568 Ca 0.60 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.76 3a1e s VAL 568 Cb -0.33 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.04 3a1e s VAL 568 CO 0.31 0.55 0.24 -0.83 0.00 0.00 0.00 175.10 175.37 3a1e s GLY 569 N 0.28 2.22 -0.02 4.51 0.00 0.19 0.11 107.32 114.61 3a1e s GLY 569 Ca -0.14 -1.96 -0.02 0.00 0.00 0.00 0.00 44.72 42.60 3a1e s GLY 569 CO 0.07 -1.49 0.06 -0.29 0.00 0.00 0.00 173.10 171.45 3a1e s MET 570 N -3.58 0.12 0.01 2.90 1.75 -0.66 -1.29 119.30 118.55 3a1e s MET 570 Ca 0.39 0.00 0.08 0.00 -1.25 0.00 0.00 55.69 54.91 3a1e s MET 570 Cb 0.03 0.05 -0.02 0.00 2.84 0.00 0.00 34.83 37.73 3a1e s MET 570 CO 0.24 -0.02 -0.23 -1.50 -0.65 0.00 0.00 175.02 172.86 3a1e s ILE 571 N -0.18 1.86 -0.05 10.11 2.07 -0.04 -0.89 121.20 134.07 3a1e s ILE 571 Ca -0.02 -1.11 -0.30 0.00 -1.41 0.00 0.00 60.65 57.81 3a1e s ILE 571 Cb -0.02 -1.56 0.07 0.00 0.13 0.00 0.00 42.46 41.08 3a1e s ILE 571 CO 0.00 0.42 0.65 0.28 -1.91 0.00 0.00 174.94 174.39 3a1e s THR 572 N -0.65 0.00 -1.00 4.00 -1.32 -0.33 -2.25 115.64 114.10 3a1e s THR 572 Ca 0.09 -0.03 0.29 0.00 -1.21 0.00 0.00 61.69 60.83 3a1e s THR 572 Cb -0.09 -0.97 0.22 0.00 -1.51 0.00 0.00 72.50 70.15 3a1e s THR 572 CO 0.00 -0.02 1.89 0.61 -2.21 0.00 0.00 174.62 174.90 3a1e n GLY 573 N 0.94 -1.48 3.73 6.08 0.00 -1.24 -1.61 105.19 111.61 3a1e n GLY 573 Ca -0.19 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.41 3a1e n GLY 573 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a1e s ASP 574 N -3.00 3.58 0.67 1.61 -0.00 -1.26 -3.89 116.67 114.38 3a1e s ASP 574 Ca 0.14 1.44 -0.16 0.00 -0.00 0.00 0.00 52.55 53.96 3a1e s ASP 574 Cb 0.19 -2.12 0.01 0.00 -0.00 0.00 0.00 42.92 40.99 3a1e s ASP 574 CO 0.54 -2.57 1.20 0.54 -0.00 0.00 0.00 175.17 174.88 3a1e s ASN 575 N -3.50 4.69 0.19 0.27 2.20 -1.26 -1.06 114.94 116.48 3a1e s ASN 575 Ca 0.63 2.33 -0.12 0.00 -0.94 0.00 0.00 52.86 54.76 3a1e s ASN 575 Cb -0.17 -2.59 0.17 0.00 -2.00 0.00 0.00 41.25 36.66 3a1e s ASN 575 CO 0.56 -1.93 1.80 -0.50 -2.94 0.00 0.00 177.10 174.10 3a1e h TRP 576 N 0.20 0.60 -0.31 1.54 4.06 -1.94 -1.56 115.95 118.54 3a1e h TRP 576 Ca -0.49 0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.47 3a1e h TRP 576 Cb 1.29 -0.18 -0.01 0.00 -1.00 0.00 0.00 29.16 29.25 3a1e h TRP 576 CO 0.48 0.30 0.15 -0.09 -3.56 0.00 0.00 178.44 175.72 3a1e h ARG 577 N 0.62 0.45 -0.44 0.49 2.43 -1.92 0.19 114.38 116.19 3a1e h ARG 577 Ca 0.25 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3a1e h ARG 577 Cb 0.12 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.57 3a1e h ARG 577 CO -0.15 0.42 0.14 1.03 -1.51 0.00 0.00 179.97 179.90 3a1e h SER 578 N 0.36 0.64 -0.75 -3.80 0.87 -1.55 -1.81 113.55 107.51 3a1e h SER 578 Ca 0.11 -0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.46 3a1e h SER 578 Cb 0.12 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.88 3a1e h SER 578 CO -0.01 0.68 0.45 0.00 -0.53 0.00 0.00 176.83 177.41 3a1e h ALA 579 N 0.99 1.36 0.00 6.23 0.00 -0.92 -2.01 119.26 124.91 3a1e h ALA 579 Ca 0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3a1e h ALA 579 Cb 0.26 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3a1e h ALA 579 CO -0.00 0.55 -0.27 0.93 0.00 0.00 0.00 179.25 180.45 3a1e h GLU 580 N 1.05 0.00 -0.40 0.00 4.39 -0.50 -1.05 114.58 118.08 3a1e h GLU 580 Ca 0.27 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.87 3a1e h GLU 580 Cb -0.03 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.60 3a1e h GLU 580 CO -0.05 0.27 -0.16 0.00 -1.16 0.00 0.00 179.01 177.91 3a1e h ALA 581 N 1.73 0.97 -0.44 3.43 0.00 -0.63 -1.67 119.26 122.64 3a1e h ALA 581 Ca -0.00 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 3a1e h ALA 581 Cb 1.11 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3a1e h ALA 581 CO 0.04 0.61 -0.19 0.82 0.00 0.00 0.00 179.25 180.52 3a1e h ILE 582 N 0.66 1.27 -0.99 0.00 2.04 -1.09 -2.48 117.51 116.93 3a1e h ILE 582 Ca 0.10 -1.34 0.13 0.00 1.00 0.00 0.00 64.86 64.75 3a1e h ILE 582 Cb 0.65 1.21 -0.08 0.00 -0.74 0.00 0.00 36.82 37.85 3a1e h ILE 582 CO 0.05 0.46 0.62 -1.28 0.00 0.00 0.00 178.15 177.99 3a1e h SER 583 N 0.73 0.87 0.20 1.72 0.87 -1.03 -0.79 113.55 116.13 3a1e h SER 583 Ca 0.10 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3a1e h SER 583 Cb 0.76 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.60 3a1e h SER 583 CO 0.06 0.45 -0.10 -0.09 -0.53 0.00 0.00 176.83 176.62 3a1e h ARG 584 N 0.93 -0.26 -0.77 2.24 2.43 -1.21 0.11 114.38 117.84 3a1e h ARG 584 Ca 0.50 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.80 3a1e h ARG 584 Cb 0.56 0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.12 3a1e h ARG 584 CO -0.27 -0.03 0.51 0.93 -1.51 0.00 0.00 179.97 179.60 3a1e h GLU 585 N -0.46 0.57 -0.00 0.20 5.08 -0.84 -2.25 114.58 116.88 3a1e h GLU 585 Ca -0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3a1e h GLU 585 Cb 0.35 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3a1e h GLU 585 CO 0.05 0.38 -0.75 1.28 -1.00 0.00 0.00 179.01 178.96 3a1e n LEU 586 N -4.50 1.22 -3.75 1.33 4.77 -0.39 -4.98 117.00 110.69 3a1e n LEU 586 Ca 0.14 -0.58 -0.32 0.00 -0.03 0.00 0.00 56.01 55.22 3a1e n LEU 586 Cb 0.41 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.54 3a1e n LEU 586 CO 0.32 0.27 -0.10 -3.20 -1.33 0.00 0.00 177.39 173.35 3a1e n ASN 587 N -1.01 -4.38 -4.77 -1.43 4.05 0.29 -4.82 115.26 103.19 3a1e n ASN 587 Ca 0.05 -1.03 -0.34 0.00 0.45 0.00 0.00 54.58 53.71 3a1e n ASN 587 Cb 0.34 -3.22 0.03 0.00 1.23 0.00 0.00 39.78 38.16 3a1e n ASN 587 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3a1e s LEU 588 N -6.63 3.52 0.33 1.20 1.43 -0.71 -4.96 118.68 112.85 3a1e s LEU 588 Ca 0.39 2.06 0.22 0.00 -1.03 0.00 0.00 54.13 55.78 3a1e s LEU 588 Cb -0.15 -4.56 0.18 0.00 0.03 0.00 0.00 46.19 41.69 3a1e s LEU 588 CO 0.87 -1.48 1.36 0.44 0.23 0.00 0.00 176.35 177.77 3a1e h ASP 589 N 0.45 0.00 -4.64 2.29 5.19 0.44 -3.48 116.42 116.67 3a1e h ASP 589 Ca -0.48 0.00 0.05 0.00 -0.62 0.00 0.00 57.03 55.98 3a1e h ASP 589 Cb 1.25 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 40.59 3a1e h ASP 589 CO 0.55 0.07 0.40 -1.48 -3.12 0.00 0.00 179.24 175.66 3a1e s LEU 590 N -5.91 -0.46 -0.04 1.55 2.34 -1.15 -4.98 118.68 110.03 3a1e s LEU 590 Ca 0.04 0.25 0.01 0.00 0.06 0.00 0.00 54.13 54.49 3a1e s LEU 590 Cb 0.07 2.18 0.02 0.00 -0.56 0.00 0.00 46.19 47.91 3a1e s LEU 590 CO 0.72 -0.61 -0.04 -0.69 -1.06 0.00 0.00 176.35 174.68 3a1e s VAL 591 N -2.32 0.48 -0.28 1.48 1.01 -1.26 -1.65 120.40 117.86 3a1e s VAL 591 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3a1e s VAL 591 Cb -0.01 -0.52 0.08 0.00 0.00 0.00 0.00 36.38 35.93 3a1e s VAL 591 CO -0.03 0.21 -0.01 -0.63 0.00 0.00 0.00 175.10 174.64 3a1e s ILE 592 N 0.92 1.71 0.43 2.22 1.01 -0.07 -4.98 121.20 122.45 3a1e s ILE 592 Ca -0.11 -1.61 0.06 0.00 0.00 0.00 0.00 60.65 59.00 3a1e s ILE 592 Cb -0.14 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.21 3a1e s ILE 592 CO -0.00 -0.32 0.16 0.00 0.00 0.00 0.00 174.94 174.78 3a1e s ALA 593 N 1.26 3.66 -1.45 9.38 0.00 -1.26 -1.18 121.76 132.17 3a1e s ALA 593 Ca 0.01 -1.89 -0.09 0.00 0.00 0.00 0.00 51.96 49.99 3a1e s ALA 593 Cb -0.19 -0.30 0.05 0.00 0.00 0.00 0.00 23.12 22.68 3a1e s ALA 593 CO -0.10 -0.17 0.70 0.39 0.00 0.00 0.00 175.76 176.58 3a1e n GLU 594 N -1.25 -4.83 -2.96 0.00 1.02 -0.22 -4.91 120.64 107.49 3a1e n GLU 594 Ca -0.03 0.69 -0.41 0.00 -0.02 0.00 0.00 57.16 57.39 3a1e n GLU 594 Cb 0.65 -5.53 -0.05 0.00 -0.02 0.00 0.00 31.44 26.49 3a1e n GLU 594 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3a1e s VAL 595 N -3.13 4.90 0.45 2.62 1.01 -0.63 -4.93 120.40 120.67 3a1e s VAL 595 Ca 0.44 1.47 -0.25 0.00 0.00 0.00 0.00 61.98 63.64 3a1e s VAL 595 Cb -0.21 -4.07 -0.09 0.00 0.00 0.00 0.00 36.38 32.01 3a1e s VAL 595 CO 0.54 0.00 1.29 0.18 0.00 0.00 0.00 175.10 177.11 3a1e n LEU 596 N 5.56 4.30 -0.33 3.92 4.77 -1.26 -3.65 117.00 130.31 3a1e n LEU 596 Ca 0.03 1.08 0.10 0.00 -0.03 0.00 0.00 56.01 57.20 3a1e n LEU 596 Cb 0.48 -1.52 0.27 0.00 -2.33 0.00 0.00 43.42 40.33 3a1e n LEU 596 CO 0.46 -0.63 1.16 -0.65 -1.33 0.00 0.00 177.39 176.41 3a1e h PRO 597 N 1.98 0.72 0.00 3.23 0.11 -1.97 0.35 132.00 136.42 3a1e h PRO 597 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3a1e h PRO 597 Cb 1.29 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3a1e h PRO 597 CO 0.59 0.48 0.00 -2.39 -0.21 0.00 0.00 178.00 176.47 3a1e n HIS 598 N -4.79 0.55 1.08 0.65 1.44 -1.26 -3.13 115.22 109.77 3a1e n HIS 598 Ca 0.20 0.23 0.12 0.00 -2.01 0.00 0.00 57.72 56.26 3a1e n HIS 598 Cb 0.49 -0.87 0.12 0.00 0.12 0.00 0.00 29.99 29.85 3a1e n HIS 598 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 3a1e n GLN 599 N -2.01 1.23 -0.20 -1.40 1.13 0.12 -4.40 117.38 111.85 3a1e n GLN 599 Ca 0.02 -0.95 -0.05 0.00 -1.94 0.00 0.00 57.00 54.08 3a1e n GLN 599 Cb 0.17 -1.48 0.04 0.00 0.11 0.00 0.00 30.24 29.09 3a1e n GLN 599 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 3a1e h LYS 600 N 2.32 0.69 -0.07 -1.09 1.79 -1.49 -1.65 116.57 117.08 3a1e h LYS 600 Ca 0.00 -0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.32 3a1e h LYS 600 Cb 0.71 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 3a1e h LYS 600 CO 0.00 0.46 -0.46 0.66 -1.08 0.00 0.00 179.45 179.03 3a1e h SER 601 N 0.71 0.17 -0.01 0.86 4.64 -1.82 -2.11 113.55 115.98 3a1e h SER 601 Ca 0.22 -0.07 -0.09 0.00 -0.47 0.00 0.00 61.79 61.38 3a1e h SER 601 Cb -0.01 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 3a1e h SER 601 CO -0.08 0.61 -0.25 -0.33 -0.87 0.00 0.00 176.83 175.90 3a1e h GLU 602 N 0.13 0.42 -0.12 4.77 4.39 -1.69 -0.99 114.58 121.50 3a1e h GLU 602 Ca 0.01 -0.15 -0.20 0.00 0.34 0.00 0.00 59.36 59.35 3a1e h GLU 602 Cb 0.87 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 3a1e h GLU 602 CO 0.07 0.65 -0.75 0.93 -1.16 0.00 0.00 179.01 178.74 3a1e h GLU 603 N 0.37 0.59 -0.19 2.33 4.39 -1.00 -1.10 114.58 119.98 3a1e h GLU 603 Ca 0.06 -0.48 0.02 0.00 0.34 0.00 0.00 59.36 59.30 3a1e h GLU 603 Cb 0.65 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 3a1e h GLU 603 CO 0.05 1.11 0.04 0.28 -1.16 0.00 0.00 179.01 179.33 3a1e h VAL 604 N 0.41 0.93 -0.60 3.13 2.07 -1.21 -1.65 116.25 119.31 3a1e h VAL 604 Ca -0.04 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.49 3a1e h VAL 604 Cb 1.35 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.86 3a1e h VAL 604 CO 0.14 0.02 0.32 0.50 0.02 0.00 0.00 177.57 178.58 3a1e h LYS 605 N 0.12 0.59 -0.30 1.57 3.64 -0.99 -0.33 116.57 120.88 3a1e h LYS 605 Ca 0.08 -0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3a1e h LYS 605 Cb 0.07 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 3a1e h LYS 605 CO -0.10 0.39 0.11 0.87 -2.27 0.00 0.00 179.45 178.45 3a1e h LYS 606 N 0.61 0.24 -0.57 1.90 1.57 -0.99 -2.43 116.57 116.89 3a1e h LYS 606 Ca 0.27 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 3a1e h LYS 606 Cb 0.16 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 3a1e h LYS 606 CO -0.17 0.16 0.31 1.25 -0.57 0.00 0.00 179.45 180.43 3a1e h LEU 607 N 0.25 0.70 -1.01 2.94 5.85 -0.74 -2.61 115.31 120.69 3a1e h LEU 607 Ca 0.13 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3a1e h LEU 607 Cb 0.09 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3a1e h LEU 607 CO -0.12 0.57 0.00 0.00 -0.34 0.00 0.00 178.44 178.55 3a1e n GLN 608 N -4.39 0.15 -0.01 1.25 6.02 -0.19 -1.56 117.38 118.66 3a1e n GLN 608 Ca 0.05 0.53 0.14 0.00 -0.01 0.00 0.00 57.00 57.71 3a1e n GLN 608 Cb 0.10 -1.89 0.57 0.00 1.02 0.00 0.00 30.24 30.05 3a1e n GLN 608 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a1e h ALA 609 N 2.13 2.15 0.00 -1.58 0.00 -1.39 -3.28 119.26 117.28 3a1e h ALA 609 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a1e h ALA 609 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3a1e h ALA 609 CO 0.00 -0.26 -0.06 0.36 0.00 0.00 0.00 179.25 179.28 3a1e n LYS 610 N -4.45 5.31 -4.38 0.00 2.85 -0.87 -5.09 118.16 111.53 3a1e n LYS 610 Ca 0.08 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.14 3a1e n LYS 610 Cb 0.39 -0.44 -0.10 0.00 -0.65 0.00 0.00 35.03 34.23 3a1e n LYS 610 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3a1e s GLU 611 N -0.87 1.42 -0.39 -1.58 0.41 -0.60 -5.10 118.70 111.98 3a1e s GLU 611 Ca 0.00 -1.62 -0.15 0.00 -0.41 0.00 0.00 54.97 52.79 3a1e s GLU 611 Cb 0.00 -1.31 0.01 0.00 -1.78 0.00 0.00 34.13 31.05 3a1e s GLU 611 CO 0.00 0.23 0.35 0.08 -0.49 0.00 0.00 175.26 175.43 3a1e s VAL 612 N -2.77 5.19 -0.20 2.63 1.01 -1.26 -4.27 120.40 120.74 3a1e s VAL 612 Ca 0.24 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 3a1e s VAL 612 Cb -0.02 -3.91 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 3a1e s VAL 612 CO 0.09 -0.26 0.02 -0.69 0.00 0.00 0.00 175.10 174.26 3a1e s VAL 613 N 1.89 4.24 -0.20 2.92 1.01 -1.26 -1.11 120.40 127.89 3a1e s VAL 613 Ca 0.09 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 61.73 3a1e s VAL 613 Cb -0.18 -2.92 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 3a1e s VAL 613 CO 0.12 0.43 0.20 0.00 0.00 0.00 0.00 175.10 175.84 3a1e s ALA 614 N 0.83 3.63 -0.15 5.51 0.00 -0.33 -1.07 121.76 130.19 3a1e s ALA 614 Ca 0.02 -0.68 -0.04 0.00 0.00 0.00 0.00 51.96 51.26 3a1e s ALA 614 Cb -0.14 -2.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.65 3a1e s ALA 614 CO 0.02 -0.00 -0.03 0.12 0.00 0.00 0.00 175.76 175.88 3a1e s PHE 615 N 0.68 3.06 -0.19 0.00 5.36 -0.18 -0.53 117.98 126.18 3a1e s PHE 615 Ca 0.11 -0.19 -0.01 0.00 -0.96 0.00 0.00 56.93 55.88 3a1e s PHE 615 Cb -0.12 -1.94 0.00 0.00 -0.34 0.00 0.00 43.02 40.62 3a1e s PHE 615 CO 0.02 0.06 -0.12 0.08 -1.46 0.00 0.00 175.22 173.80 3a1e s VAL 616 N 0.16 2.78 0.00 3.12 1.01 0.49 -0.68 120.40 127.29 3a1e s VAL 616 Ca -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3a1e s VAL 616 Cb -0.13 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.03 3a1e s VAL 616 CO 0.02 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3a1e n GLY 617 N 4.53 3.04 3.68 4.51 0.00 -0.44 -0.46 105.19 120.05 3a1e n GLY 617 Ca -0.19 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.68 3a1e n GLY 617 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a1e s ASP 618 N 1.98 6.46 0.00 1.61 -1.08 -1.26 -1.30 116.67 123.08 3a1e s ASP 618 Ca 0.00 0.54 0.08 0.00 -0.52 0.00 0.00 52.55 52.65 3a1e s ASP 618 Cb 0.00 -2.23 0.49 0.00 -1.46 0.00 0.00 42.92 39.72 3a1e s ASP 618 CO 0.00 -0.06 1.14 0.61 0.52 0.00 0.00 175.17 177.38 3a1e n GLY 619 N 3.82 -0.79 0.49 2.66 0.00 -1.26 -2.04 105.19 108.07 3a1e n GLY 619 Ca -0.08 -0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 3a1e n GLY 619 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3a1e n ILE 620 N -0.66 1.13 0.83 -0.61 2.08 -1.26 -0.93 119.36 119.93 3a1e n ILE 620 Ca 0.06 -0.00 0.12 0.00 0.56 0.00 0.00 62.75 63.49 3a1e n ILE 620 Cb 0.03 -1.87 0.25 0.00 -0.75 0.00 0.00 39.64 37.30 3a1e n ILE 620 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3a1e n ASN 621 N -3.89 0.54 -0.31 4.38 3.02 -1.22 -4.13 115.26 113.65 3a1e n ASN 621 Ca -0.21 -0.04 0.08 0.00 -0.03 0.00 0.00 54.58 54.38 3a1e n ASN 621 Cb 0.53 0.15 0.15 0.00 -0.61 0.00 0.00 39.78 40.01 3a1e n ASN 621 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3a1e n ASP 622 N -1.75 2.00 -0.30 6.41 8.00 -0.87 -4.86 116.55 125.19 3a1e n ASP 622 Ca 0.05 -3.30 0.02 0.00 0.71 0.00 0.00 54.79 52.27 3a1e n ASP 622 Cb 0.38 -0.45 0.15 0.00 -0.02 0.00 0.00 41.12 41.18 3a1e n ASP 622 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a1e h ALA 623 N 0.37 1.16 -0.97 2.24 0.00 -1.73 -1.88 119.26 118.46 3a1e h ALA 623 Ca -0.01 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3a1e h ALA 623 Cb 1.04 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3a1e h ALA 623 CO 0.00 0.19 0.63 -1.35 0.00 0.00 0.00 179.25 178.72 3a1e h PRO 624 N 0.88 1.17 -0.14 0.00 0.11 -1.94 -0.62 132.00 131.46 3a1e h PRO 624 Ca 0.38 -0.07 -0.17 0.00 0.11 0.00 0.00 66.00 66.25 3a1e h PRO 624 Cb 0.25 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.09 3a1e h PRO 624 CO -0.20 0.77 -0.64 0.00 -0.21 0.00 0.00 178.00 177.72 3a1e h ALA 625 N 1.40 0.63 -0.59 -0.75 0.00 -1.81 -1.28 119.26 116.86 3a1e h ALA 625 Ca 0.39 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3a1e h ALA 625 Cb 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 3a1e h ALA 625 CO -0.13 0.71 0.33 -0.07 0.00 0.00 0.00 179.25 180.10 3a1e h LEU 626 N 0.38 0.73 -0.49 0.00 3.38 -1.03 -1.51 115.31 116.77 3a1e h LEU 626 Ca -0.01 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.78 3a1e h LEU 626 Cb 1.20 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3a1e h LEU 626 CO 0.12 0.60 -0.05 0.00 0.09 0.00 0.00 178.44 179.19 3a1e h ALA 627 N 1.16 0.67 -0.70 1.53 0.00 -1.03 -3.20 119.26 117.69 3a1e h ALA 627 Ca 0.21 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3a1e h ALA 627 Cb 0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3a1e h ALA 627 CO -0.04 0.52 0.19 0.37 0.00 0.00 0.00 179.25 180.30 3a1e h GLN 628 N 0.76 1.10 -7.08 0.00 5.75 -1.10 -3.45 115.11 111.09 3a1e h GLN 628 Ca 0.13 -0.25 -0.55 0.00 -0.15 0.00 0.00 58.65 57.83 3a1e h GLN 628 Cb 0.59 -0.15 0.17 0.00 1.07 0.00 0.00 27.48 29.16 3a1e h GLN 628 CO 0.04 0.96 0.35 0.00 -2.65 0.00 0.00 178.83 177.53 3a1e n ALA 629 N -2.44 0.46 -0.13 3.38 0.00 -0.58 -4.91 120.51 116.28 3a1e n ALA 629 Ca 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 3a1e n ALA 629 Cb 0.24 -2.25 0.24 0.00 0.00 0.00 0.00 19.45 17.69 3a1e n ALA 629 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3a1e h ASP 630 N -0.06 0.75 -3.22 0.00 5.19 -1.41 -3.40 116.42 114.27 3a1e h ASP 630 Ca -0.49 -0.08 -0.46 0.00 -0.62 0.00 0.00 57.03 55.37 3a1e h ASP 630 Cb 1.33 -0.19 -0.39 0.00 0.18 0.00 0.00 39.33 40.25 3a1e h ASP 630 CO 0.49 0.66 -0.76 -0.22 -3.12 0.00 0.00 179.24 176.29 3a1e s LEU 631 N -9.50 0.71 -0.24 1.55 2.96 -0.75 -5.00 118.68 108.40 3a1e s LEU 631 Ca -0.10 -0.45 -0.11 0.00 -0.22 0.00 0.00 54.13 53.24 3a1e s LEU 631 Cb 0.16 -0.42 -0.05 0.00 0.50 0.00 0.00 46.19 46.38 3a1e s LEU 631 CO 0.78 -0.27 0.20 -0.83 -1.32 0.00 0.00 176.35 174.91 3a1e s GLY 632 N 1.99 2.00 -0.20 7.98 0.00 -1.24 -1.01 107.32 116.83 3a1e s GLY 632 Ca 0.02 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.91 3a1e s GLY 632 CO -0.07 0.49 -0.17 -0.42 0.00 0.00 0.00 173.10 172.93 3a1e s ILE 633 N 1.15 2.21 0.00 0.90 1.01 0.14 -0.41 121.20 126.21 3a1e s ILE 633 Ca 0.10 -1.03 -0.17 0.00 0.00 0.00 0.00 60.65 59.55 3a1e s ILE 633 Cb -0.14 -2.01 -0.06 0.00 0.01 0.00 0.00 42.46 40.27 3a1e s ILE 633 CO 0.05 0.42 0.47 0.00 0.00 0.00 0.00 174.94 175.88 3a1e s ALA 634 N 1.27 3.63 -0.05 9.38 0.00 0.21 -1.33 121.76 134.87 3a1e s ALA 634 Ca 0.03 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 51.90 3a1e s ALA 634 Cb -0.14 -2.51 -0.02 0.00 0.00 0.00 0.00 23.12 20.45 3a1e s ALA 634 CO -0.11 0.37 -0.20 0.08 0.00 0.00 0.00 175.76 175.90 3a1e s VAL 635 N -0.79 2.51 -0.24 0.00 1.01 -0.42 0.34 120.40 122.82 3a1e s VAL 635 Ca 0.26 -0.92 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 3a1e s VAL 635 Cb -0.17 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.26 3a1e s VAL 635 CO 0.15 0.58 0.21 0.61 0.00 0.00 0.00 175.10 176.64 3a1e n GLY 636 N 2.65 0.57 0.16 4.51 0.00 -0.48 -4.70 105.19 107.89 3a1e n GLY 636 Ca -0.17 -0.47 0.01 0.00 0.00 0.00 0.00 46.02 45.39 3a1e n GLY 636 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a1e h SER 637 N -0.46 0.00 -3.80 1.61 4.64 -0.92 -3.46 113.55 111.16 3a1e h SER 637 Ca -0.11 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3a1e h SER 637 Cb 1.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 3a1e h SER 637 CO 0.10 0.53 -0.07 0.61 -0.87 0.00 0.00 176.83 177.12 3a1e n GLY 638 N 0.26 -2.15 0.05 -0.77 0.00 -0.31 -4.42 105.19 97.85 3a1e n GLY 638 Ca -0.01 -1.45 0.10 0.00 0.00 0.00 0.00 46.02 44.66 3a1e n GLY 638 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a1e n SER 639 N -1.17 0.26 -4.46 1.61 3.41 -1.26 -4.46 113.62 107.54 3a1e n SER 639 Ca 0.00 0.55 -0.39 0.00 -0.26 0.00 0.00 58.87 58.78 3a1e n SER 639 Cb 0.09 -0.61 -0.12 0.00 -0.26 0.00 0.00 64.21 63.31 3a1e n SER 639 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a1e s ASP 640 N -3.48 5.60 -0.10 4.04 -1.08 -1.26 -4.96 116.67 115.44 3a1e s ASP 640 Ca 0.07 -0.45 0.15 0.00 -0.52 0.00 0.00 52.55 51.80 3a1e s ASP 640 Cb 0.11 -2.02 0.52 0.00 -1.46 0.00 0.00 42.92 40.07 3a1e s ASP 640 CO 0.36 -0.18 1.44 1.33 0.52 0.00 0.00 175.17 178.64 3a1e n VAL 641 N 5.00 1.74 -0.15 1.11 0.24 -1.26 -4.75 118.33 120.25 3a1e n VAL 641 Ca -0.14 -1.37 -0.03 0.00 -2.04 0.00 0.00 64.34 60.76 3a1e n VAL 641 Cb 0.50 0.11 0.05 0.00 -1.47 0.00 0.00 33.84 33.03 3a1e n VAL 641 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a1e h ALA 642 N 2.60 0.44 -0.01 2.33 0.00 -1.97 -3.27 119.26 119.38 3a1e h ALA 642 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3a1e h ALA 642 Cb 1.22 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3a1e h ALA 642 CO 0.16 -0.39 -0.03 1.33 0.00 0.00 0.00 179.25 180.32 3a1e n VAL 643 N -5.23 0.00 -2.29 0.00 0.24 -1.26 -4.98 118.33 104.80 3a1e n VAL 643 Ca 0.05 -0.48 -0.42 0.00 -2.04 0.00 0.00 64.34 61.44 3a1e n VAL 643 Cb 0.26 1.22 -0.03 0.00 -1.47 0.00 0.00 33.84 33.82 3a1e n VAL 643 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3a1e s GLU 644 N -1.02 4.36 0.51 7.34 0.41 -1.24 -4.82 118.70 124.25 3a1e s GLU 644 Ca 0.13 1.91 -0.07 0.00 -0.41 0.00 0.00 54.97 56.53 3a1e s GLU 644 Cb 0.09 -3.37 -0.04 0.00 -1.78 0.00 0.00 34.13 29.04 3a1e s GLU 644 CO 0.16 -0.39 0.85 -1.12 -0.49 0.00 0.00 175.26 174.27 3a1e s SER 645 N 1.26 6.27 0.00 -0.19 0.01 -0.11 -5.03 113.70 115.91 3a1e s SER 645 Ca 0.62 1.08 0.00 0.00 1.31 0.00 0.00 55.95 58.96 3a1e s SER 645 Cb -0.32 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.59 3a1e s SER 645 CO 0.29 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.90 3a1e n GLY 646 N -2.33 3.89 0.09 3.44 0.00 -1.26 -4.38 105.19 104.64 3a1e n GLY 646 Ca 0.02 -1.71 -0.06 0.00 0.00 0.00 0.00 46.02 44.28 3a1e n GLY 646 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a1e h ASP 647 N 0.00 0.04 -3.66 1.61 5.19 -1.07 -3.44 116.42 115.09 3a1e h ASP 647 Ca 0.00 -0.04 -0.42 0.00 -0.62 0.00 0.00 57.03 55.95 3a1e h ASP 647 Cb 0.00 -0.01 -0.32 0.00 0.18 0.00 0.00 39.33 39.18 3a1e h ASP 647 CO 0.00 0.89 -0.78 -0.63 -3.12 0.00 0.00 179.24 175.60 3a1e s ILE 648 N -3.05 0.69 -0.13 0.35 1.01 -0.80 -0.98 121.20 118.28 3a1e s ILE 648 Ca -0.00 -0.27 0.02 0.00 0.00 0.00 0.00 60.65 60.39 3a1e s ILE 648 Cb 0.11 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.93 3a1e s ILE 648 CO 0.81 0.24 -0.20 -0.69 0.00 0.00 0.00 174.94 175.09 3a1e s VAL 649 N 0.46 2.31 -0.23 2.92 1.01 -0.08 -0.62 120.40 126.17 3a1e s VAL 649 Ca -0.07 -0.90 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 3a1e s VAL 649 Cb -0.11 -1.93 -0.05 0.00 0.00 0.00 0.00 36.38 34.29 3a1e s VAL 649 CO 0.01 0.54 0.14 -0.76 0.00 0.00 0.00 175.10 175.02 3a1e s LEU 650 N 0.68 4.03 0.12 3.92 1.43 0.15 -0.57 118.68 128.44 3a1e s LEU 650 Ca -0.09 0.09 -0.19 0.00 -1.03 0.00 0.00 54.13 52.90 3a1e s LEU 650 Cb -0.16 -2.07 -0.06 0.00 0.03 0.00 0.00 46.19 43.93 3a1e s LEU 650 CO 0.02 0.08 1.74 0.40 0.23 0.00 0.00 176.35 178.81 3a1e h ILE 651 N 5.01 1.09 -3.71 -0.59 1.08 -1.68 -0.94 117.51 117.77 3a1e h ILE 651 Ca -0.38 -0.24 -0.49 0.00 -0.39 0.00 0.00 64.86 63.37 3a1e h ILE 651 Cb 1.17 0.84 0.05 0.00 -3.07 0.00 0.00 36.82 35.81 3a1e h ILE 651 CO 0.66 0.09 0.18 -0.13 -0.69 0.00 0.00 178.15 178.26 3a1e s ARG 652 N -5.97 3.31 0.15 2.37 0.52 -1.26 -1.16 118.95 116.91 3a1e s ARG 652 Ca -0.13 0.19 0.26 0.00 -0.52 0.00 0.00 55.73 55.53 3a1e s ARG 652 Cb 0.08 -2.30 0.79 0.00 0.52 0.00 0.00 34.95 34.04 3a1e s ARG 652 CO 0.70 -0.44 1.71 -0.25 0.02 0.00 0.00 175.30 177.04 3a1e n ASP 653 N -2.45 0.65 -4.65 0.23 8.00 -1.26 -1.72 116.55 115.36 3a1e n ASP 653 Ca 0.03 0.46 -0.42 0.00 0.71 0.00 0.00 54.79 55.56 3a1e n ASP 653 Cb 0.56 -0.55 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 3a1e n ASP 653 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3a1e s ASP 654 N -4.18 6.54 0.22 -2.24 -1.08 -1.26 -4.83 116.67 109.84 3a1e s ASP 654 Ca 0.10 2.13 0.23 0.00 -0.52 0.00 0.00 52.55 54.49 3a1e s ASP 654 Cb 0.14 -2.53 0.93 0.00 -1.46 0.00 0.00 42.92 39.99 3a1e s ASP 654 CO 0.61 -1.05 1.70 0.18 0.52 0.00 0.00 175.17 177.14 3a1e n LEU 655 N 7.63 0.62 0.29 -1.34 4.77 -1.26 -1.80 117.00 125.91 3a1e n LEU 655 Ca 0.18 0.63 0.18 0.00 -0.03 0.00 0.00 56.01 56.97 3a1e n LEU 655 Cb 0.43 -0.53 0.88 0.00 -2.33 0.00 0.00 43.42 41.87 3a1e n LEU 655 CO 0.63 -0.46 1.05 0.03 -1.33 0.00 0.00 177.39 177.32 3a1e h ARG 656 N 0.00 0.00 0.00 3.23 3.08 -1.90 -1.65 114.38 117.14 3a1e h ARG 656 Ca 0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 3a1e h ARG 656 Cb 0.42 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3a1e h ARG 656 CO 0.00 0.04 -0.27 -0.44 -1.07 0.00 0.00 179.97 178.22 3a1e h ASP 657 N 0.00 0.00 -0.17 7.04 3.45 -1.75 0.15 116.42 125.14 3a1e h ASP 657 Ca -0.00 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.44 3a1e h ASP 657 Cb 0.29 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.05 3a1e h ASP 657 CO 0.00 0.27 0.04 0.58 -1.57 0.00 0.00 179.24 178.57 3a1e h VAL 658 N 0.00 1.21 -0.36 -1.35 2.07 -1.47 -0.39 116.25 115.96 3a1e h VAL 658 Ca -0.00 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.88 3a1e h VAL 658 Cb 0.67 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3a1e h VAL 658 CO 0.04 0.20 0.20 0.58 0.02 0.00 0.00 177.57 178.61 3a1e h VAL 659 N 0.08 1.02 -0.94 2.57 2.07 -1.46 -2.17 116.25 117.42 3a1e h VAL 659 Ca 0.05 -0.14 0.04 0.00 0.82 0.00 0.00 66.70 67.47 3a1e h VAL 659 Cb 0.27 0.57 -0.06 0.00 -1.52 0.00 0.00 31.29 30.56 3a1e h VAL 659 CO 0.00 0.08 0.61 0.00 0.02 0.00 0.00 177.57 178.28 3a1e h ALA 660 N 1.17 1.25 -0.16 1.67 0.00 -0.84 0.22 119.26 122.57 3a1e h ALA 660 Ca 0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3a1e h ALA 660 Cb 0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3a1e h ALA 660 CO -0.08 0.48 0.07 0.00 0.00 0.00 0.00 179.25 179.72 3a1e h ALA 661 N 1.39 0.21 -0.56 0.00 0.00 -0.77 -1.68 119.26 117.86 3a1e h ALA 661 Ca 0.38 -0.10 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 3a1e h ALA 661 Cb 0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3a1e h ALA 661 CO -0.13 -0.20 -0.00 0.82 0.00 0.00 0.00 179.25 179.74 3a1e h ILE 662 N 0.11 1.26 0.00 0.00 2.04 -1.08 -2.95 117.51 116.89 3a1e h ILE 662 Ca 0.06 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 3a1e h ILE 662 Cb 0.17 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 3a1e h ILE 662 CO -0.00 0.40 -0.10 1.56 0.00 0.00 0.00 178.15 180.01 3a1e h GLN 663 N 0.89 0.00 -0.87 2.37 4.20 -0.33 -2.13 115.11 119.24 3a1e h GLN 663 Ca 0.16 0.00 0.20 0.00 0.06 0.00 0.00 58.65 59.08 3a1e h GLN 663 Cb 0.52 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.24 3a1e h GLN 663 CO 0.03 0.10 0.58 -0.07 -0.67 0.00 0.00 178.83 178.80 3a1e h LEU 664 N 0.00 0.35 -0.86 1.46 3.38 -1.12 -2.23 115.31 116.29 3a1e h LEU 664 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3a1e h LEU 664 Cb 0.28 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3a1e h LEU 664 CO 0.01 0.14 -0.41 -1.54 0.09 0.00 0.00 178.44 176.73 3a1e n SER 665 N -4.48 1.75 -4.42 -0.43 3.41 -0.80 -4.97 113.62 103.68 3a1e n SER 665 Ca 0.18 -1.34 -0.25 0.00 -0.26 0.00 0.00 58.87 57.21 3a1e n SER 665 Cb 0.71 0.38 -0.11 0.00 -0.26 0.00 0.00 64.21 64.93 3a1e n SER 665 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3a1e s ARG 666 N -2.48 1.51 0.00 4.33 0.52 -0.84 -4.73 118.95 117.26 3a1e s ARG 666 Ca 0.20 -1.58 0.16 0.00 -0.52 0.00 0.00 55.73 53.99 3a1e s ARG 666 Cb 0.18 -1.69 0.13 0.00 0.52 0.00 0.00 34.95 34.10 3a1e s ARG 666 CO 0.56 0.34 1.01 1.63 0.02 0.00 0.00 175.30 178.86