#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1d s ALA 400 N 0.00 3.16 0.24 4.61 0.00 -1.26 -5.02 121.76 123.50 3a1d s ALA 400 Ca 0.00 1.38 -0.11 0.00 0.00 0.00 0.00 51.96 53.23 3a1d s ALA 400 Cb 0.00 -3.56 -0.08 0.00 0.00 0.00 0.00 23.12 19.49 3a1d s ALA 400 CO 0.00 -1.13 0.59 -1.21 0.00 0.00 0.00 175.76 174.00 3a1d s GLU 401 N -2.50 3.87 0.24 0.00 8.01 -1.26 -5.05 118.70 122.01 3a1d s GLU 401 Ca 0.62 0.38 -0.30 0.00 0.01 0.00 0.00 54.97 55.68 3a1d s GLU 401 Cb -0.42 -2.63 -0.14 0.00 -4.31 0.00 0.00 34.13 26.63 3a1d s GLU 401 CO 0.53 0.30 1.20 -0.11 0.01 0.00 0.00 175.26 177.19 3a1d n LEU 402 N -0.07 2.24 -3.53 1.80 7.94 -1.26 -4.72 117.00 119.39 3a1d n LEU 402 Ca 0.00 1.16 -0.15 0.00 -1.11 0.00 0.00 56.01 55.92 3a1d n LEU 402 Cb 0.52 -1.32 -0.12 0.00 0.53 0.00 0.00 43.42 43.03 3a1d n LEU 402 CO 0.44 -1.03 -0.15 -0.83 -1.11 0.00 0.00 177.39 174.71 3a1d s GLY 403 N -0.11 -0.11 -0.36 -3.96 0.00 -1.26 -5.02 107.32 96.49 3a1d s GLY 403 Ca 0.66 0.63 -0.02 0.00 0.00 0.00 0.00 44.72 45.99 3a1d s GLY 403 CO 0.55 2.17 0.10 -0.42 0.00 0.00 0.00 173.10 175.50 3a1d s ILE 404 N 2.40 3.04 -0.40 0.90 1.01 -1.26 -1.90 121.20 124.99 3a1d s ILE 404 Ca 0.06 -1.82 -0.20 0.00 0.00 0.00 0.00 60.65 58.69 3a1d s ILE 404 Cb -0.14 -2.97 0.01 0.00 0.01 0.00 0.00 42.46 39.37 3a1d s ILE 404 CO -0.11 -0.44 0.61 -0.22 0.00 0.00 0.00 174.94 174.77 3a1d s LEU 405 N 1.16 4.43 -0.23 2.97 2.96 0.99 -4.95 118.68 126.01 3a1d s LEU 405 Ca 0.03 -0.19 -0.18 0.00 -0.22 0.00 0.00 54.13 53.58 3a1d s LEU 405 Cb -0.21 -2.70 -0.03 0.00 0.50 0.00 0.00 46.19 43.74 3a1d s LEU 405 CO -0.03 -0.68 0.49 -0.63 -1.32 0.00 0.00 176.35 174.18 3a1d s ILE 406 N 2.69 5.11 -1.85 6.68 1.01 -1.26 -0.50 121.20 133.08 3a1d s ILE 406 Ca 0.22 0.86 0.15 0.00 0.00 0.00 0.00 60.65 61.88 3a1d s ILE 406 Cb -0.15 -3.81 0.14 0.00 0.01 0.00 0.00 42.46 38.65 3a1d s ILE 406 CO 0.17 0.14 1.00 0.29 0.00 0.00 0.00 174.94 176.54 3a1d n LYS 407 N 5.12 1.20 -3.71 2.79 4.76 -0.42 -4.94 118.16 122.96 3a1d n LYS 407 Ca -0.05 -1.45 -0.11 0.00 -2.87 0.00 0.00 58.31 53.82 3a1d n LYS 407 Cb 0.50 -1.29 -0.11 0.00 -1.84 0.00 0.00 35.03 32.28 3a1d n LYS 407 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3a1d s ASN 408 N -1.25 -0.43 0.62 4.39 3.84 -1.25 -5.01 114.94 115.85 3a1d s ASN 408 Ca 0.18 0.77 0.34 0.00 0.21 0.00 0.00 52.86 54.36 3a1d s ASN 408 Cb 0.13 0.67 1.93 0.00 -0.55 0.00 0.00 41.25 43.43 3a1d s ASN 408 CO 0.19 -0.18 2.21 0.00 -2.79 0.00 0.00 177.10 176.53 3a1d h ALA 409 N 6.91 1.45 -0.52 1.71 0.00 -1.96 -1.68 119.26 125.18 3a1d h ALA 409 Ca -0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3a1d h ALA 409 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3a1d h ALA 409 CO 0.31 -0.13 0.00 -0.25 0.00 0.00 0.00 179.25 179.18 3a1d n ASP 410 N -3.52 3.60 -0.23 0.00 8.00 -1.26 -4.60 116.55 118.54 3a1d n ASP 410 Ca -0.01 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.51 3a1d n ASP 410 Cb 0.19 -0.34 0.23 0.00 -0.02 0.00 0.00 41.12 41.18 3a1d n ASP 410 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a1d h ALA 411 N 4.18 1.45 -0.00 2.24 0.00 -1.65 -0.68 119.26 124.79 3a1d h ALA 411 Ca 0.00 -0.05 -0.23 0.00 0.00 0.00 0.00 54.91 54.62 3a1d h ALA 411 Cb 0.96 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.44 3a1d h ALA 411 CO 0.00 0.51 -0.96 -0.07 0.00 0.00 0.00 179.25 178.74 3a1d h LEU 412 N 1.06 0.61 -0.70 0.00 3.38 -1.82 0.76 115.31 118.59 3a1d h LEU 412 Ca 0.29 -0.49 0.03 0.00 0.09 0.00 0.00 57.88 57.80 3a1d h LEU 412 Cb -0.12 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 3a1d h LEU 412 CO -0.06 1.28 0.44 -0.08 0.09 0.00 0.00 178.44 180.11 3a1d h GLU 413 N 0.27 0.84 -0.28 1.13 4.81 -1.78 -2.06 114.58 117.52 3a1d h GLU 413 Ca -0.09 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 58.99 3a1d h GLU 413 Cb 1.59 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.78 3a1d h GLU 413 CO 0.17 0.56 -0.22 0.28 -0.73 0.00 0.00 179.01 179.07 3a1d h VAL 414 N 0.87 1.30 -0.91 0.32 2.07 -1.00 -3.15 116.25 115.75 3a1d h VAL 414 Ca 0.28 -1.37 0.14 0.00 0.82 0.00 0.00 66.70 66.57 3a1d h VAL 414 Cb 0.01 1.57 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 3a1d h VAL 414 CO -0.10 0.44 0.58 0.00 0.02 0.00 0.00 177.57 178.50 3a1d h ALA 415 N 0.71 1.78 0.00 1.67 0.00 -0.61 0.47 119.26 123.28 3a1d h ALA 415 Ca 0.05 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 3a1d h ALA 415 Cb 0.77 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 3a1d h ALA 415 CO 0.06 -0.03 -0.18 1.49 0.00 0.00 0.00 179.25 180.59 3a1d h GLU 416 N 0.74 0.00 0.00 0.00 4.22 -1.33 -2.85 114.58 115.35 3a1d h GLU 416 Ca 0.46 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.90 3a1d h GLU 416 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3a1d h GLU 416 CO -0.22 0.18 -0.67 1.63 -2.18 0.00 0.00 179.01 177.75 3a1d n LYS 417 N -3.43 0.19 -1.70 1.92 5.02 0.13 -4.95 118.16 115.33 3a1d n LYS 417 Ca -0.00 0.04 -0.43 0.00 -2.02 0.00 0.00 58.31 55.89 3a1d n LYS 417 Cb 0.36 -1.60 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 3a1d n LYS 417 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3a1d n VAL 418 N -1.86 0.04 0.15 -0.18 0.31 -1.03 -4.70 118.33 111.07 3a1d n VAL 418 Ca 0.04 -0.01 0.05 0.00 -0.01 0.00 0.00 64.34 64.41 3a1d n VAL 418 Cb 0.40 -1.88 -0.07 0.00 -0.91 0.00 0.00 33.84 31.38 3a1d n VAL 418 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3a1d n THR 419 N 3.92 0.00 -3.76 2.52 -2.24 -0.01 -4.93 114.28 109.79 3a1d n THR 419 Ca 0.17 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 3a1d n THR 419 Cb 0.33 0.49 -0.13 0.00 -2.10 0.00 0.00 70.33 68.93 3a1d n THR 419 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a1d s ALA 420 N -2.49 -0.42 -0.18 6.98 0.00 -0.97 -1.45 121.76 123.23 3a1d s ALA 420 Ca -0.01 0.75 -0.01 0.00 0.00 0.00 0.00 51.96 52.69 3a1d s ALA 420 Cb 0.07 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.71 3a1d s ALA 420 CO 0.44 -0.15 -0.12 0.08 0.00 0.00 0.00 175.76 176.00 3a1d s VAL 421 N 0.92 2.80 -0.20 0.00 1.01 0.44 -1.00 120.40 124.37 3a1d s VAL 421 Ca -0.07 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 3a1d s VAL 421 Cb -0.08 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3a1d s VAL 421 CO -0.05 0.49 -0.12 -0.63 0.00 0.00 0.00 175.10 174.79 3a1d s ILE 422 N 1.10 2.75 -0.19 2.22 1.09 0.21 -0.79 121.20 127.60 3a1d s ILE 422 Ca 0.00 -0.70 -0.14 0.00 -1.10 0.00 0.00 60.65 58.71 3a1d s ILE 422 Cb -0.14 -2.22 -0.05 0.00 -1.06 0.00 0.00 42.46 38.99 3a1d s ILE 422 CO -0.04 0.48 0.29 -0.36 -0.10 0.00 0.00 174.94 175.21 3a1d s PHE 423 N 1.38 3.41 0.10 3.97 0.08 0.16 -0.76 117.98 126.31 3a1d s PHE 423 Ca 0.05 0.51 -0.31 0.00 0.12 0.00 0.00 56.93 57.31 3a1d s PHE 423 Cb -0.14 -2.37 -0.08 0.00 -0.57 0.00 0.00 43.02 39.87 3a1d s PHE 423 CO -0.08 0.14 1.40 0.34 -0.10 0.00 0.00 175.22 176.92 3a1d s ASP 424 N 0.73 6.82 0.04 1.36 -1.08 0.13 -0.78 116.67 123.90 3a1d s ASP 424 Ca 0.15 2.31 -0.31 0.00 -0.52 0.00 0.00 52.55 54.18 3a1d s ASP 424 Cb -0.13 -2.58 -0.17 0.00 -1.46 0.00 0.00 42.92 38.57 3a1d s ASP 424 CO 0.05 -0.66 1.34 0.50 0.52 0.00 0.00 175.17 176.91 3a1d h LYS 425 N 6.93 -0.98 -0.15 4.34 3.64 -1.31 -2.19 116.57 126.86 3a1d h LYS 425 Ca -0.42 0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 58.83 3a1d h LYS 425 Cb 1.21 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 3a1d h LYS 425 CO 0.87 -0.63 -0.70 1.15 -2.27 0.00 0.00 179.45 177.87 3a1d h THR 426 N -1.18 1.31 0.00 1.00 2.02 -1.93 -0.30 112.91 113.83 3a1d h THR 426 Ca -0.10 -1.96 -0.00 0.00 0.77 0.00 0.00 66.41 65.11 3a1d h THR 426 Cb 0.80 1.94 -0.00 0.00 -1.74 0.00 0.00 68.15 69.14 3a1d h THR 426 CO 0.17 0.61 -0.00 1.23 0.37 0.00 0.00 175.52 177.90 3a1d h GLY 427 N 0.87 0.00 0.00 2.16 0.00 -1.95 -3.42 103.07 100.74 3a1d h GLY 427 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 3a1d h GLY 427 CO 0.14 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.38 3a1d n THR 428 N -4.07 0.00 0.03 4.70 -2.24 -0.83 -3.89 114.28 107.99 3a1d n THR 428 Ca -0.03 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.73 3a1d n THR 428 Cb 0.08 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.23 3a1d n THR 428 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3a1d h LEU 429 N 0.00 0.00-10.00 3.22 3.38 -1.04 -3.48 115.31 107.40 3a1d h LEU 429 Ca 0.00 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.46 3a1d h LEU 429 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3a1d h LEU 429 CO 0.00 0.66 -0.46 0.42 0.09 0.00 0.00 178.44 179.14 3a1d s THR 430 N -2.86 3.31 -0.95 0.22 -4.23 -1.15 -0.37 115.64 109.61 3a1d s THR 430 Ca -0.02 -1.45 0.28 0.00 -1.18 0.00 0.00 61.69 59.32 3a1d s THR 430 Cb 0.08 -3.11 0.24 0.00 1.34 0.00 0.00 72.50 71.05 3a1d s THR 430 CO 0.81 -0.16 1.88 0.29 -0.54 0.00 0.00 174.62 176.90 3a1d n LYS 431 N -1.33 0.05 -2.07 3.99 5.02 -0.33 -4.66 118.16 118.83 3a1d n LYS 431 Ca -0.02 0.04 -0.08 0.00 -2.02 0.00 0.00 58.31 56.23 3a1d n LYS 431 Cb 0.60 -1.56 -0.01 0.00 -0.02 0.00 0.00 35.03 34.05 3a1d n LYS 431 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3a1d n GLY 432 N 1.46 0.13 2.44 0.72 0.00 -1.26 -4.98 105.19 103.70 3a1d n GLY 432 Ca 0.07 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.27 3a1d n GLY 432 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3a1d n LYS 433 N -1.90 2.04 -2.36 1.61 2.85 -1.26 -5.10 118.16 114.03 3a1d n LYS 433 Ca -0.10 -4.34 -0.38 0.00 -1.05 0.00 0.00 58.31 52.44 3a1d n LYS 433 Cb 0.55 -2.06 -0.03 0.00 -0.65 0.00 0.00 35.03 32.84 3a1d n LYS 433 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3a1d s PRO 434 N -2.03 4.12 0.02 -1.58 0.04 -1.26 -4.61 135.00 129.68 3a1d s PRO 434 Ca 0.37 1.76 -0.00 0.00 0.04 0.00 0.00 61.00 63.17 3a1d s PRO 434 Cb 0.12 -2.68 -0.02 0.00 0.04 0.00 0.00 34.50 31.97 3a1d s PRO 434 CO -0.06 -0.24 -0.02 -1.21 0.04 0.00 0.00 177.00 175.51 3a1d s GLU 435 N -2.28 0.25 0.02 4.56 2.02 -0.38 -4.37 118.70 118.53 3a1d s GLU 435 Ca 0.56 -0.50 -0.30 0.00 0.02 0.00 0.00 54.97 54.75 3a1d s GLU 435 Cb -0.29 0.09 -0.06 0.00 0.10 0.00 0.00 34.13 33.97 3a1d s GLU 435 CO 0.36 -0.04 1.43 0.08 0.02 0.00 0.00 175.26 177.11 3a1d s VAL 436 N -1.19 3.59 -0.04 2.63 1.01 -1.26 -1.16 120.40 123.97 3a1d s VAL 436 Ca -0.13 1.01 0.10 0.00 0.00 0.00 0.00 61.98 62.96 3a1d s VAL 436 Cb -0.08 -3.65 -0.15 0.00 0.00 0.00 0.00 36.38 32.50 3a1d s VAL 436 CO -0.01 0.01 0.16 0.35 0.00 0.00 0.00 175.10 175.62 3a1d n THR 437 N 4.56 0.24 -3.79 3.92 -2.24 0.36 -4.94 114.28 112.40 3a1d n THR 437 Ca 0.13 -0.30 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 3a1d n THR 437 Cb 0.43 -0.09 -0.13 0.00 -2.10 0.00 0.00 70.33 68.44 3a1d n THR 437 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3a1d s ASP 438 N -3.57 -0.19 -0.19 3.42 1.01 -1.15 -4.98 116.67 111.01 3a1d s ASP 438 Ca -0.04 0.39 0.01 0.00 0.71 0.00 0.00 52.55 53.62 3a1d s ASP 438 Cb 0.05 0.36 0.03 0.00 1.01 0.00 0.00 42.92 44.37 3a1d s ASP 438 CO 0.43 -0.09 -0.16 -0.76 0.21 0.00 0.00 175.17 174.80 3a1d s LEU 439 N 0.42 2.25 -0.60 1.23 1.43 -1.26 -1.48 118.68 120.66 3a1d s LEU 439 Ca -0.03 -0.76 0.04 0.00 -1.03 0.00 0.00 54.13 52.35 3a1d s LEU 439 Cb -0.04 -1.38 0.16 0.00 0.03 0.00 0.00 46.19 44.96 3a1d s LEU 439 CO -0.02 -0.06 0.42 -0.69 0.23 0.00 0.00 176.35 176.23 3a1d s VAL 440 N 1.32 2.11 0.32 -1.59 1.01 0.20 -5.00 120.40 118.77 3a1d s VAL 440 Ca 0.02 -3.66 -0.27 0.00 0.00 0.00 0.00 61.98 58.07 3a1d s VAL 440 Cb -0.15 -2.41 -0.09 0.00 0.00 0.00 0.00 36.38 33.73 3a1d s VAL 440 CO -0.11 -1.04 1.01 -2.16 0.00 0.00 0.00 175.10 172.81 3a1d s PRO 441 N -0.85 4.52 0.33 2.72 0.04 -1.26 -0.87 135.00 139.62 3a1d s PRO 441 Ca 0.26 1.53 0.26 0.00 0.04 0.00 0.00 61.00 63.08 3a1d s PRO 441 Cb -0.06 -2.90 0.94 0.00 0.04 0.00 0.00 34.50 32.53 3a1d s PRO 441 CO -0.15 0.18 1.77 -0.07 0.04 0.00 0.00 177.00 178.77 3a1d h LEU 442 N 3.29 0.00 -0.10 -3.56 3.38 -0.86 -3.10 115.31 114.36 3a1d h LEU 442 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 3a1d h LEU 442 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3a1d h LEU 442 CO 0.65 0.00 -0.71 -0.46 0.09 0.00 0.00 178.44 178.01 3a1d n ASN 443 N -2.52 0.85 0.00 -0.43 0.23 -1.26 -4.99 115.26 107.14 3a1d n ASN 443 Ca 0.03 -0.93 0.00 0.00 -0.53 0.00 0.00 54.58 53.15 3a1d n ASN 443 Cb 0.33 0.94 0.00 0.00 -2.08 0.00 0.00 39.78 38.98 3a1d n ASN 443 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3a1d n GLY 444 N 1.35 0.77 3.49 4.83 0.00 -1.17 -5.02 105.19 109.45 3a1d n GLY 444 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3a1d n GLY 444 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a1d s ASP 445 N -2.47 6.43 0.18 1.61 3.68 -1.26 -4.86 116.67 119.98 3a1d s ASP 445 Ca 0.00 -1.44 -0.07 0.00 2.13 0.00 0.00 52.55 53.16 3a1d s ASP 445 Cb 0.00 -2.47 0.08 0.00 -1.45 0.00 0.00 42.92 39.08 3a1d s ASP 445 CO 0.00 -1.37 1.57 -0.33 0.13 0.00 0.00 175.17 175.17 3a1d h GLU 446 N 9.42 0.88 -0.57 4.34 5.08 -1.94 -2.92 114.58 128.87 3a1d h GLU 446 Ca 0.01 -0.39 -0.09 0.00 -1.00 0.00 0.00 59.36 57.90 3a1d h GLU 446 Cb 1.03 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.24 3a1d h GLU 446 CO 1.24 1.03 0.02 -0.09 -1.00 0.00 0.00 179.01 180.21 3a1d h ARG 447 N 0.75 1.00 -0.19 2.33 2.43 -1.99 -1.43 114.38 117.28 3a1d h ARG 447 Ca 0.09 -0.31 -0.03 0.00 -0.81 0.00 0.00 59.98 58.93 3a1d h ARG 447 Cb 0.81 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.26 3a1d h ARG 447 CO 0.07 0.98 0.01 1.49 -1.51 0.00 0.00 179.97 181.01 3a1d h GLU 448 N 0.89 0.34 -0.40 0.20 4.57 -1.98 0.14 114.58 118.33 3a1d h GLU 448 Ca 0.17 -0.10 0.08 0.00 -1.18 0.00 0.00 59.36 58.32 3a1d h GLU 448 Cb 0.52 -0.03 -0.07 0.00 -0.16 0.00 0.00 28.75 29.01 3a1d h GLU 448 CO 0.03 0.52 -0.02 1.25 -1.18 0.00 0.00 179.01 179.61 3a1d h LEU 449 N 0.11 -0.20 -0.53 1.64 5.85 -1.40 -1.09 115.31 119.68 3a1d h LEU 449 Ca 0.06 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.79 3a1d h LEU 449 Cb 0.36 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3a1d h LEU 449 CO 0.01 -0.06 0.01 0.25 -0.34 0.00 0.00 178.44 178.31 3a1d h LEU 450 N 0.09 0.91 -0.06 2.25 6.46 -1.14 -2.23 115.31 121.59 3a1d h LEU 450 Ca 0.20 -0.30 0.02 0.00 -0.12 0.00 0.00 57.88 57.68 3a1d h LEU 450 Cb 0.29 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 39.95 3a1d h LEU 450 CO -0.35 0.99 -0.06 -0.09 -0.62 0.00 0.00 178.44 178.31 3a1d h ARG 451 N 0.81 -0.07 -0.10 1.25 2.43 -0.32 -0.51 114.38 117.87 3a1d h ARG 451 Ca 0.15 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3a1d h ARG 451 Cb 0.52 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 3a1d h ARG 451 CO 0.03 -0.05 0.06 -0.07 -1.51 0.00 0.00 179.97 178.42 3a1d h LEU 452 N -0.08 0.10 -0.74 3.80 3.38 -1.19 -1.99 115.31 118.59 3a1d h LEU 452 Ca 0.04 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 3a1d h LEU 452 Cb 0.14 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3a1d h LEU 452 CO -0.10 0.07 0.28 0.00 0.09 0.00 0.00 178.44 178.78 3a1d h ALA 453 N 1.04 0.97 -0.42 1.53 0.00 -1.29 -2.58 119.26 118.51 3a1d h ALA 453 Ca 0.04 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 3a1d h ALA 453 Cb -0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3a1d h ALA 453 CO -0.01 0.61 -0.00 0.00 0.00 0.00 0.00 179.25 179.85 3a1d h ALA 454 N 1.14 1.22 -0.11 0.00 0.00 -0.96 -1.59 119.26 118.95 3a1d h ALA 454 Ca 0.24 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3a1d h ALA 454 Cb 0.25 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3a1d h ALA 454 CO -0.02 0.52 0.04 0.82 0.00 0.00 0.00 179.25 180.61 3a1d h ILE 455 N 0.64 0.98 -0.01 0.00 2.04 -0.97 -0.20 117.51 119.99 3a1d h ILE 455 Ca 0.13 -0.03 -0.12 0.00 1.00 0.00 0.00 64.86 65.84 3a1d h ILE 455 Cb 0.40 0.87 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 3a1d h ILE 455 CO 0.02 0.02 -0.56 0.00 0.00 0.00 0.00 178.15 177.63 3a1d h ALA 456 N 1.07 1.07 -0.01 1.87 0.00 -1.38 -3.16 119.26 118.71 3a1d h ALA 456 Ca 0.05 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3a1d h ALA 456 Cb 0.02 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3a1d h ALA 456 CO -0.05 0.70 -0.17 0.39 0.00 0.00 0.00 179.25 180.12 3a1d n GLU 457 N -3.88 1.30 -0.31 0.00 -0.58 -0.61 -4.56 120.64 112.01 3a1d n GLU 457 Ca -0.01 -0.84 0.06 0.00 -0.42 0.00 0.00 57.16 55.95 3a1d n GLU 457 Cb 0.56 -1.48 0.22 0.00 -0.57 0.00 0.00 31.44 30.17 3a1d n GLU 457 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 3a1d h ARG 458 N 2.05 0.71 -0.02 3.49 2.43 -0.99 -2.62 114.38 119.42 3a1d h ARG 458 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 3a1d h ARG 458 Cb 0.57 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 3a1d h ARG 458 CO 0.00 0.47 -0.21 2.89 -1.51 0.00 0.00 179.97 181.61 3a1d n ARG 459 N -4.80 1.83 -2.90 0.20 1.85 -1.26 -4.96 116.66 106.62 3a1d n ARG 459 Ca 0.17 -1.51 -0.36 0.00 -1.00 0.00 0.00 57.85 55.15 3a1d n ARG 459 Cb 0.39 -1.47 -0.06 0.00 -1.05 0.00 0.00 32.46 30.26 3a1d n ARG 459 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 3a1d s SER 460 N -2.21 7.17 0.00 2.89 0.15 -0.99 -4.98 113.70 115.74 3a1d s SER 460 Ca 0.24 1.67 0.20 0.00 0.70 0.00 0.00 55.95 58.76 3a1d s SER 460 Cb 0.19 -2.52 0.54 0.00 -1.71 0.00 0.00 66.02 62.53 3a1d s SER 460 CO 0.42 -0.09 1.46 -0.62 1.20 0.00 0.00 173.24 175.61 3a1d n GLU 461 N 0.39 2.41 -2.47 5.44 1.02 -1.26 -4.50 120.64 121.66 3a1d n GLU 461 Ca 0.02 -2.17 -0.39 0.00 -0.02 0.00 0.00 57.16 54.60 3a1d n GLU 461 Cb 0.51 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.41 3a1d n GLU 461 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3a1d s HIS 462 N -1.28 3.43 0.31 -0.32 2.46 -1.26 -4.82 115.29 113.81 3a1d s HIS 462 Ca 0.40 1.67 0.08 0.00 0.47 0.00 0.00 55.06 57.68 3a1d s HIS 462 Cb 0.22 -3.26 0.87 0.00 -0.13 0.00 0.00 32.58 30.28 3a1d s HIS 462 CO 0.29 -0.67 1.66 -1.35 -2.47 0.00 0.00 174.74 172.20 3a1d h PRO 463 N 3.32 0.28 -0.31 2.88 0.11 -1.98 0.29 132.00 136.58 3a1d h PRO 463 Ca -0.47 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.62 3a1d h PRO 463 Cb 1.22 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3a1d h PRO 463 CO 0.65 0.18 0.19 0.82 -0.21 0.00 0.00 178.00 179.64 3a1d h ILE 464 N 0.29 1.10 0.01 4.15 2.04 -1.97 -1.35 117.51 121.77 3a1d h ILE 464 Ca 0.63 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 66.26 3a1d h ILE 464 Cb 1.34 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 3a1d h ILE 464 CO -0.62 0.10 -0.00 0.00 0.00 0.00 0.00 178.15 177.63 3a1d h ALA 465 N 1.08 -0.01 -0.44 1.87 0.00 -1.22 -1.88 119.26 118.67 3a1d h ALA 465 Ca 0.11 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.09 3a1d h ALA 465 Cb -0.00 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 3a1d h ALA 465 CO -0.02 -0.49 -0.01 1.49 0.00 0.00 0.00 179.25 180.22 3a1d h GLU 466 N -0.04 0.10 -0.21 0.00 4.81 -0.48 -0.73 114.58 118.02 3a1d h GLU 466 Ca -0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 3a1d h GLU 466 Cb 0.04 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 3a1d h GLU 466 CO 0.00 0.06 0.11 0.00 -0.73 0.00 0.00 179.01 178.46 3a1d h ALA 467 N 1.39 0.27 -0.53 2.92 0.00 -1.09 -0.95 119.26 121.27 3a1d h ALA 467 Ca 0.22 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3a1d h ALA 467 Cb 0.32 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3a1d h ALA 467 CO -0.37 -0.19 0.14 0.82 0.00 0.00 0.00 179.25 179.65 3a1d h ILE 468 N 0.23 1.24 -0.19 0.00 2.04 -1.12 -1.04 117.51 118.67 3a1d h ILE 468 Ca 0.07 -0.85 -0.02 0.00 1.00 0.00 0.00 64.86 65.06 3a1d h ILE 468 Cb 0.08 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3a1d h ILE 468 CO -0.01 0.31 0.04 0.58 0.00 0.00 0.00 178.15 179.07 3a1d h VAL 469 N 0.74 1.21 -0.68 1.67 2.07 -1.09 -1.49 116.25 118.68 3a1d h VAL 469 Ca 0.17 -0.69 0.10 0.00 0.82 0.00 0.00 66.70 67.09 3a1d h VAL 469 Cb 0.33 1.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.34 3a1d h VAL 469 CO 0.00 0.21 0.32 0.50 0.02 0.00 0.00 177.57 178.62 3a1d h LYS 470 N 0.11 0.52 -0.28 1.57 3.64 -1.08 -1.61 116.57 119.43 3a1d h LYS 470 Ca 0.06 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.37 3a1d h LYS 470 Cb 0.29 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3a1d h LYS 470 CO 0.00 0.34 0.03 -0.22 -2.27 0.00 0.00 179.45 177.34 3a1d h LYS 471 N 0.54 0.48 -0.44 1.90 1.63 -1.01 -0.83 116.57 118.84 3a1d h LYS 471 Ca 0.34 -0.14 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 3a1d h LYS 471 Cb 0.39 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 3a1d h LYS 471 CO -0.29 0.60 0.18 0.00 -3.45 0.00 0.00 179.45 176.50 3a1d h ALA 472 N 0.86 1.50 -0.26 5.00 0.00 -1.02 -1.20 119.26 124.14 3a1d h ALA 472 Ca 0.08 -0.12 -0.16 0.00 0.00 0.00 0.00 54.91 54.72 3a1d h ALA 472 Cb 0.37 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 3a1d h ALA 472 CO 0.01 0.39 -0.49 -0.07 0.00 0.00 0.00 179.25 179.09 3a1d h LEU 473 N 0.62 0.79 -1.88 0.00 3.38 -1.15 0.25 115.31 117.33 3a1d h LEU 473 Ca 0.15 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3a1d h LEU 473 Cb 0.12 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 3a1d h LEU 473 CO -0.02 1.14 -0.13 -0.33 0.09 0.00 0.00 178.44 179.20 3a1d h GLU 474 N 0.56 0.00 -0.67 1.13 5.08 -0.47 -1.09 114.58 119.13 3a1d h GLU 474 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3a1d h GLU 474 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 3a1d h GLU 474 CO 0.10 0.13 0.00 0.72 -1.00 0.00 0.00 179.01 178.96 3a1d n HIS 475 N -3.95 0.89 -3.69 4.33 8.25 -0.52 -4.98 115.22 115.56 3a1d n HIS 475 Ca -0.02 -0.45 -0.26 0.00 -0.26 0.00 0.00 57.72 56.73 3a1d n HIS 475 Cb 0.22 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.39 3a1d n HIS 475 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3a1d n GLY 476 N 1.64 -0.53 3.67 -1.41 0.00 -0.41 -4.96 105.19 103.19 3a1d n GLY 476 Ca 0.24 0.24 -0.42 0.00 0.00 0.00 0.00 46.02 46.07 3a1d n GLY 476 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1d s ILE 477 N -3.31 4.78 -0.12 -0.61 1.01 0.81 -5.00 121.20 118.76 3a1d s ILE 477 Ca 0.61 1.87 -0.29 0.00 0.00 0.00 0.00 60.65 62.84 3a1d s ILE 477 Cb -0.28 -4.24 -0.03 0.00 0.01 0.00 0.00 42.46 37.92 3a1d s ILE 477 CO 0.76 -0.07 1.37 -1.61 0.00 0.00 0.00 174.94 175.39 3a1d s GLU 478 N 2.58 4.23 0.03 2.79 2.02 -1.26 -4.74 118.70 124.35 3a1d s GLU 478 Ca 0.42 1.82 0.23 0.00 0.02 0.00 0.00 54.97 57.47 3a1d s GLU 478 Cb -0.16 -3.79 0.18 0.00 0.10 0.00 0.00 34.13 30.46 3a1d s GLU 478 CO 0.11 -0.71 1.16 1.28 0.02 0.00 0.00 175.26 177.12 3a1d n LEU 479 N 6.55 0.64 0.00 1.80 4.77 -1.26 -5.06 117.00 124.44 3a1d n LEU 479 Ca 0.14 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3a1d n LEU 479 Cb 0.44 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3a1d n LEU 479 CO 0.58 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 3a1d n GLY 480 N 1.44 -0.51 3.74 -0.72 0.00 -1.26 -4.81 105.19 103.07 3a1d n GLY 480 Ca 0.04 -1.10 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 3a1d n GLY 480 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3a1d s GLU 481 N 0.00 4.57 0.26 1.61 1.03 -1.26 -4.98 118.70 119.93 3a1d s GLU 481 Ca 0.00 1.73 -0.31 0.00 0.03 0.00 0.00 54.97 56.42 3a1d s GLU 481 Cb 0.00 -3.28 -0.12 0.00 -0.80 0.00 0.00 34.13 29.92 3a1d s GLU 481 CO 0.00 0.03 1.58 -2.30 -1.33 0.00 0.00 175.26 173.23 3a1d n PRO 482 N 2.56 2.54 -4.01 -4.83 -0.02 -1.26 -5.01 135.00 124.97 3a1d n PRO 482 Ca 0.03 0.91 -0.25 0.00 -2.02 0.00 0.00 63.50 62.17 3a1d n PRO 482 Cb 0.46 -2.67 -0.04 0.00 -0.02 0.00 0.00 33.50 31.23 3a1d n PRO 482 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3a1d s GLU 483 N -0.14 3.21 -0.10 -0.52 2.02 -1.26 -5.07 118.70 116.85 3a1d s GLU 483 Ca 0.68 -0.75 -0.30 0.00 0.02 0.00 0.00 54.97 54.62 3a1d s GLU 483 Cb -0.54 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 3a1d s GLU 483 CO 0.46 0.49 1.46 0.21 0.02 0.00 0.00 175.26 177.90 3a1d s LYS 484 N -3.33 4.21 0.05 1.61 2.47 -1.26 -4.99 119.74 118.50 3a1d s LYS 484 Ca 0.33 1.94 0.09 0.00 -1.56 0.00 0.00 55.97 56.77 3a1d s LYS 484 Cb -0.10 -3.85 -0.03 0.00 -1.46 0.00 0.00 37.83 32.39 3a1d s LYS 484 CO 0.27 -0.76 -0.25 0.08 0.16 0.00 0.00 175.35 174.85 3a1d s VAL 485 N 3.64 2.02 0.03 4.02 1.01 -1.26 -4.26 120.40 125.60 3a1d s VAL 485 Ca 0.65 -1.38 0.08 0.00 0.00 0.00 0.00 61.98 61.33 3a1d s VAL 485 Cb -0.28 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3a1d s VAL 485 CO 0.23 0.30 -0.24 -0.70 0.00 0.00 0.00 175.10 174.68 3a1d s GLU 486 N -1.30 1.93 -0.14 2.72 2.12 0.27 -4.96 118.70 119.33 3a1d s GLU 486 Ca 0.11 -1.04 -0.06 0.00 0.36 0.00 0.00 54.97 54.34 3a1d s GLU 486 Cb -0.10 -2.04 -0.04 0.00 0.26 0.00 0.00 34.13 32.21 3a1d s GLU 486 CO 0.02 0.53 0.07 0.08 -0.54 0.00 0.00 175.26 175.42 3a1d s VAL 487 N -0.79 4.85 -0.29 3.70 1.01 -1.26 -0.18 120.40 127.43 3a1d s VAL 487 Ca 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 3a1d s VAL 487 Cb -0.10 -3.13 0.03 0.00 0.00 0.00 0.00 36.38 33.19 3a1d s VAL 487 CO 0.02 0.54 0.00 -0.63 0.00 0.00 0.00 175.10 175.03 3a1d s ILE 488 N -0.34 3.19 0.17 2.22 1.01 -0.05 -5.00 121.20 122.40 3a1d s ILE 488 Ca 0.09 -1.12 -0.34 0.00 0.00 0.00 0.00 60.65 59.28 3a1d s ILE 488 Cb -0.12 -2.73 -0.15 0.00 0.01 0.00 0.00 42.46 39.48 3a1d s ILE 488 CO 0.02 0.02 1.41 0.00 0.00 0.00 0.00 174.94 176.39 3a1d n ALA 489 N 4.70 0.39 -1.08 9.38 0.00 -1.26 -1.45 120.51 131.19 3a1d n ALA 489 Ca -0.14 0.46 -0.03 0.00 0.00 0.00 0.00 53.44 53.73 3a1d n ALA 489 Cb 0.45 -2.21 -0.01 0.00 0.00 0.00 0.00 19.45 17.68 3a1d n ALA 489 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a1d n GLY 490 N 2.64 0.50 1.59 0.00 0.00 -1.26 -4.77 105.19 103.88 3a1d n GLY 490 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3a1d n GLY 490 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3a1d n GLU 491 N -1.53 0.00 -1.38 1.61 1.02 -0.53 -4.92 120.64 114.91 3a1d n GLU 491 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 3a1d n GLU 491 Cb 0.26 -0.21 0.00 0.00 -0.02 0.00 0.00 31.44 31.47 3a1d n GLU 491 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a1d n GLY 492 N 2.28 -0.08 3.51 0.62 0.00 -0.68 -1.42 105.19 109.42 3a1d n GLY 492 Ca 0.00 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 3a1d n GLY 492 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3a1d s VAL 493 N -3.50 3.00 -0.10 1.61 -7.23 -0.24 -0.87 120.40 113.08 3a1d s VAL 493 Ca 0.00 -1.35 0.01 0.00 -1.81 0.00 0.00 61.98 58.83 3a1d s VAL 493 Cb 0.00 -2.36 0.02 0.00 0.56 0.00 0.00 36.38 34.60 3a1d s VAL 493 CO 0.00 0.16 -0.13 -0.69 -0.31 0.00 0.00 175.10 174.13 3a1d s VAL 494 N -1.11 1.32 0.34 1.32 1.01 0.74 -2.23 120.40 121.80 3a1d s VAL 494 Ca 0.18 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.66 3a1d s VAL 494 Cb -0.11 -1.23 -0.05 0.00 0.00 0.00 0.00 36.38 35.00 3a1d s VAL 494 CO 0.10 0.41 0.10 0.00 0.00 0.00 0.00 175.10 175.71 3a1d s ALA 495 N 1.05 2.38 -0.71 5.51 0.00 0.75 -0.57 121.76 130.18 3a1d s ALA 495 Ca -0.06 -1.72 -0.25 0.00 0.00 0.00 0.00 51.96 49.93 3a1d s ALA 495 Cb -0.15 0.82 -0.14 0.00 0.00 0.00 0.00 23.12 23.65 3a1d s ALA 495 CO -0.02 -0.37 2.43 -0.25 0.00 0.00 0.00 175.76 177.56 3a1d n ASP 496 N -0.87 1.45 0.00 0.00 9.92 -1.26 -1.29 116.55 124.50 3a1d n ASP 496 Ca -0.03 -0.72 0.00 0.00 -0.53 0.00 0.00 54.79 53.52 3a1d n ASP 496 Cb 0.66 -1.40 0.00 0.00 -0.64 0.00 0.00 41.12 39.74 3a1d n ASP 496 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3a1d n GLY 497 N 6.28 2.72 3.43 0.44 0.00 -1.26 -5.00 105.19 111.79 3a1d n GLY 497 Ca 0.48 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.14 3a1d n GLY 497 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1d s ILE 498 N -2.06 4.00 -0.11 -0.61 1.09 -0.41 -1.47 121.20 121.63 3a1d s ILE 498 Ca 0.00 -0.29 0.01 0.00 -1.10 0.00 0.00 60.65 59.27 3a1d s ILE 498 Cb 0.00 -2.83 -0.02 0.00 -1.06 0.00 0.00 42.46 38.55 3a1d s ILE 498 CO 0.00 0.40 -0.12 -0.76 -0.10 0.00 0.00 174.94 174.35 3a1d s LEU 499 N 1.30 2.79 -0.17 2.97 1.02 -0.20 -0.17 118.68 126.22 3a1d s LEU 499 Ca 0.04 -0.26 -0.02 0.00 0.02 0.00 0.00 54.13 53.91 3a1d s LEU 499 Cb -0.15 -1.61 0.05 0.00 0.02 0.00 0.00 46.19 44.50 3a1d s LEU 499 CO 0.01 0.23 0.01 -0.69 0.02 0.00 0.00 176.35 175.93 3a1d s VAL 500 N -0.01 0.61 -1.57 -1.59 1.01 -0.94 -0.45 120.40 117.46 3a1d s VAL 500 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.50 3a1d s VAL 500 Cb -0.14 -0.99 0.00 0.00 0.00 0.00 0.00 36.38 35.25 3a1d s VAL 500 CO 0.04 -0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.69 3a1d n GLY 501 N 5.03 -0.87 3.96 4.51 0.00 -0.46 -1.07 105.19 116.29 3a1d n GLY 501 Ca -0.09 -0.84 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 3a1d n GLY 501 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a1d s ASN 502 N -4.00 3.17 0.53 1.61 2.20 -0.51 -0.26 114.94 117.67 3a1d s ASN 502 Ca 0.00 -0.04 0.21 0.00 -0.94 0.00 0.00 52.86 52.09 3a1d s ASN 502 Cb 0.00 0.01 1.35 0.00 -2.00 0.00 0.00 41.25 40.61 3a1d s ASN 502 CO 0.00 -2.67 2.09 0.11 -2.94 0.00 0.00 177.10 173.68 3a1d h LYS 503 N -1.46 0.00 -0.27 3.55 1.57 -1.93 -1.49 116.57 116.54 3a1d h LYS 503 Ca -0.41 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.28 3a1d h LYS 503 Cb 1.22 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 3a1d h LYS 503 CO 0.33 0.00 -0.22 0.00 -0.57 0.00 0.00 179.45 178.99 3a1d h ARG 504 N 0.00 0.50 -0.30 3.15 3.08 -1.93 -1.08 114.38 117.81 3a1d h ARG 504 Ca 0.11 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 3a1d h ARG 504 Cb 0.43 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.44 3a1d h ARG 504 CO -0.00 0.70 -0.02 1.25 -1.07 0.00 0.00 179.97 180.82 3a1d h LEU 505 N 0.45 0.54 -0.94 3.04 5.85 -1.52 -2.11 115.31 120.63 3a1d h LEU 505 Ca 0.07 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.49 3a1d h LEU 505 Cb 0.64 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.47 3a1d h LEU 505 CO 0.05 0.74 0.61 0.24 -0.34 0.00 0.00 178.44 179.74 3a1d h MET 506 N 0.33 1.18 -0.34 1.25 2.86 -1.26 -2.50 114.93 116.45 3a1d h MET 506 Ca 0.08 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.63 3a1d h MET 506 Cb 0.48 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 3a1d h MET 506 CO 0.02 0.78 0.11 1.49 1.06 0.00 0.00 176.91 180.37 3a1d h GLU 507 N 1.21 0.52 -1.03 1.72 4.81 -1.16 0.28 114.58 120.92 3a1d h GLU 507 Ca 0.36 -0.11 0.26 0.00 -0.13 0.00 0.00 59.36 59.75 3a1d h GLU 507 Cb -0.05 -0.08 -0.10 0.00 0.63 0.00 0.00 28.75 29.16 3a1d h GLU 507 CO -0.11 0.54 0.66 -0.44 -0.73 0.00 0.00 179.01 178.93 3a1d h ASP 508 N 0.39 0.48 -0.33 1.04 3.45 -0.94 -0.82 116.42 119.70 3a1d h ASP 508 Ca 0.11 0.09 0.00 0.00 0.43 0.00 0.00 57.03 57.66 3a1d h ASP 508 Cb 0.23 0.01 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 3a1d h ASP 508 CO -0.01 0.09 0.00 0.49 -1.57 0.00 0.00 179.24 178.25 3a1d n PHE 509 N -4.65 0.56 -3.18 4.55 3.01 -1.09 -4.99 117.46 111.67 3a1d n PHE 509 Ca 0.25 -0.58 -0.23 0.00 1.01 0.00 0.00 57.45 57.90 3a1d n PHE 509 Cb 0.85 -0.09 0.04 0.00 -0.01 0.00 0.00 39.48 40.28 3a1d n PHE 509 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3a1d n GLY 510 N 0.29 -0.53 3.69 1.37 0.00 -0.21 -4.98 105.19 104.82 3a1d n GLY 510 Ca 0.14 0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 3a1d n GLY 510 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a1d s VAL 511 N -3.19 5.02 0.16 1.61 1.01 0.82 -5.00 120.40 120.81 3a1d s VAL 511 Ca 0.38 1.40 -0.30 0.00 0.00 0.00 0.00 61.98 63.46 3a1d s VAL 511 Cb -0.17 -4.03 -0.07 0.00 0.00 0.00 0.00 36.38 32.11 3a1d s VAL 511 CO 0.46 0.18 1.08 0.00 0.00 0.00 0.00 175.10 176.82 3a1d s ALA 512 N 1.30 3.35 -0.19 5.51 0.00 -1.26 -4.44 121.76 126.03 3a1d s ALA 512 Ca 0.35 0.77 -0.01 0.00 0.00 0.00 0.00 51.96 53.08 3a1d s ALA 512 Cb -0.17 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.62 3a1d s ALA 512 CO 0.15 -0.18 -0.15 0.08 0.00 0.00 0.00 175.76 175.66 3a1d s VAL 513 N -0.13 2.50 0.70 0.00 1.01 -1.26 -4.65 120.40 118.57 3a1d s VAL 513 Ca 0.49 -0.79 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 3a1d s VAL 513 Cb -0.28 -2.09 0.01 0.00 0.00 0.00 0.00 36.38 34.02 3a1d s VAL 513 CO 0.34 0.50 1.08 -0.94 0.00 0.00 0.00 175.10 176.08 3a1d s SER 514 N 1.34 5.47 0.30 3.32 1.04 -1.26 -4.87 113.70 119.04 3a1d s SER 514 Ca 0.05 1.26 0.01 0.00 0.48 0.00 0.00 55.95 57.74 3a1d s SER 514 Cb -0.13 -2.11 0.53 0.00 0.10 0.00 0.00 66.02 64.41 3a1d s SER 514 CO -0.09 -1.34 1.90 0.78 0.98 0.00 0.00 173.24 175.47 3a1d h ASN 515 N -0.65 0.91 -0.62 7.02 2.35 -2.00 -0.63 115.58 121.96 3a1d h ASN 515 Ca -0.45 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.29 3a1d h ASN 515 Cb 1.24 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 39.40 3a1d h ASN 515 CO 0.62 0.57 0.31 -0.33 -1.65 0.00 0.00 177.43 176.95 3a1d h GLU 516 N 1.02 0.89 -0.25 0.81 3.07 -1.99 0.90 114.58 119.03 3a1d h GLU 516 Ca 0.40 -0.13 -0.11 0.00 -0.50 0.00 0.00 59.36 59.03 3a1d h GLU 516 Cb 0.24 -0.16 -0.00 0.00 -0.84 0.00 0.00 28.75 27.98 3a1d h GLU 516 CO -0.16 0.71 -0.26 0.28 -1.40 0.00 0.00 179.01 178.19 3a1d h VAL 517 N 0.85 1.31 -0.39 3.13 2.07 -1.87 -2.52 116.25 118.84 3a1d h VAL 517 Ca 0.21 -1.42 -0.00 0.00 0.82 0.00 0.00 66.70 66.31 3a1d h VAL 517 Cb 0.11 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 3a1d h VAL 517 CO -0.03 0.45 0.23 -0.08 0.02 0.00 0.00 177.57 178.16 3a1d h GLU 518 N 0.34 0.53 -1.00 1.57 4.57 -0.91 0.05 114.58 119.73 3a1d h GLU 518 Ca 0.04 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 3a1d h GLU 518 Cb 0.82 -0.11 -0.05 0.00 -0.16 0.00 0.00 28.75 29.25 3a1d h GLU 518 CO 0.06 0.40 0.66 -0.07 -1.18 0.00 0.00 179.01 178.88 3a1d h LEU 519 N 0.50 1.15 -0.74 1.64 3.38 -0.88 -0.75 115.31 119.60 3a1d h LEU 519 Ca 0.14 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 3a1d h LEU 519 Cb 0.01 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.45 3a1d h LEU 519 CO -0.03 0.83 0.10 0.00 0.09 0.00 0.00 178.44 179.43 3a1d h ALA 520 N 1.36 0.96 0.09 1.53 0.00 -0.97 -1.80 119.26 120.43 3a1d h ALA 520 Ca 0.36 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3a1d h ALA 520 Cb -0.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.39 3a1d h ALA 520 CO -0.08 0.65 -0.04 -0.07 0.00 0.00 0.00 179.25 179.71 3a1d h LEU 521 N 0.99 -0.11 -0.58 0.00 3.38 -0.65 -2.72 115.31 115.62 3a1d h LEU 521 Ca 0.20 -0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.16 3a1d h LEU 521 Cb 0.43 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 3a1d h LEU 521 CO 0.01 0.01 0.26 -0.33 0.09 0.00 0.00 178.44 178.49 3a1d h GLU 522 N -0.22 0.48 -0.40 1.13 5.08 -1.01 0.09 114.58 119.73 3a1d h GLU 522 Ca -0.01 -0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 3a1d h GLU 522 Cb 0.18 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.26 3a1d h GLU 522 CO 0.02 0.32 0.07 -0.22 -1.00 0.00 0.00 179.01 178.20 3a1d h LYS 523 N 0.49 0.20 -0.43 2.33 3.64 -1.29 -0.56 116.57 120.94 3a1d h LYS 523 Ca 0.27 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.57 3a1d h LYS 523 Cb 0.25 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3a1d h LYS 523 CO -0.23 0.13 0.00 -0.07 -2.27 0.00 0.00 179.45 177.01 3a1d h LEU 524 N 0.20 0.75 -0.96 5.20 3.38 -1.10 -3.04 115.31 119.74 3a1d h LEU 524 Ca 0.20 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 57.93 3a1d h LEU 524 Cb 0.24 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.72 3a1d h LEU 524 CO -0.26 0.87 0.61 -0.33 0.09 0.00 0.00 178.44 179.42 3a1d h GLU 525 N 0.60 1.07 0.00 1.13 5.08 -0.55 -1.46 114.58 120.46 3a1d h GLU 525 Ca 0.12 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3a1d h GLU 525 Cb 0.49 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3a1d h GLU 525 CO 0.02 0.71 0.00 0.00 -1.00 0.00 0.00 179.01 178.74 3a1d h ARG 526 N 1.10 0.00 -0.49 2.33 3.08 -1.00 -0.74 114.38 118.66 3a1d h ARG 526 Ca 0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.47 3a1d h ARG 526 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 3a1d h ARG 526 CO -0.18 0.00 0.00 0.39 -1.07 0.00 0.00 179.97 179.11 3a1d n GLU 527 N -2.70 1.95 -3.09 0.04 1.02 -0.56 -4.89 120.64 112.42 3a1d n GLU 527 Ca -0.00 -1.08 -0.13 0.00 -0.02 0.00 0.00 57.16 55.93 3a1d n GLU 527 Cb 0.18 -1.43 0.07 0.00 -0.02 0.00 0.00 31.44 30.24 3a1d n GLU 527 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3a1d n ALA 528 N 0.29 -1.42 -2.41 0.62 0.00 -0.31 -5.05 120.51 112.23 3a1d n ALA 528 Ca 0.10 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.32 3a1d n ALA 528 Cb 0.37 -2.21 -0.10 0.00 0.00 0.00 0.00 19.45 17.51 3a1d n ALA 528 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3a1d s LYS 529 N -5.13 1.48 -0.31 0.00 1.02 -1.18 -4.85 119.74 110.77 3a1d s LYS 529 Ca 0.06 -1.64 -0.13 0.00 0.02 0.00 0.00 55.97 54.27 3a1d s LYS 529 Cb -0.03 -1.46 -0.03 0.00 -0.52 0.00 0.00 37.83 35.80 3a1d s LYS 529 CO 0.54 0.27 0.27 0.99 -0.92 0.00 0.00 175.35 176.50 3a1d s THR 530 N -2.60 5.25 -0.21 2.17 2.01 0.29 -4.23 115.64 118.32 3a1d s THR 530 Ca 0.25 0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.30 3a1d s THR 530 Cb -0.04 -3.68 -0.02 0.00 0.01 0.00 0.00 72.50 68.78 3a1d s THR 530 CO 0.10 0.08 -0.02 0.00 -0.69 0.00 0.00 174.62 174.09 3a1d s ALA 531 N 1.86 2.90 0.16 7.40 0.00 -1.26 -0.18 121.76 132.64 3a1d s ALA 531 Ca 0.09 -1.09 0.09 0.00 0.00 0.00 0.00 51.96 51.06 3a1d s ALA 531 Cb -0.16 -1.73 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 3a1d s ALA 531 CO 0.11 -0.30 -0.14 0.14 0.00 0.00 0.00 175.76 175.57 3a1d s VAL 532 N 1.26 3.00 -0.13 0.00 -7.23 0.12 -4.83 120.40 112.59 3a1d s VAL 532 Ca 0.03 -1.64 -0.10 0.00 -1.81 0.00 0.00 61.98 58.46 3a1d s VAL 532 Cb -0.14 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.30 3a1d s VAL 532 CO -0.00 -0.04 0.20 -0.63 -0.31 0.00 0.00 175.10 174.32 3a1d s ILE 533 N -1.52 5.38 -0.23 -0.62 1.01 0.64 -1.61 121.20 124.24 3a1d s ILE 533 Ca 0.22 0.36 -0.05 0.00 0.00 0.00 0.00 60.65 61.18 3a1d s ILE 533 Cb -0.09 -3.50 -0.01 0.00 0.01 0.00 0.00 42.46 38.86 3a1d s ILE 533 CO 0.13 0.54 -0.01 -0.69 0.00 0.00 0.00 174.94 174.91 3a1d s VAL 534 N -0.49 3.65 -0.05 2.92 1.01 -0.72 -1.35 120.40 125.36 3a1d s VAL 534 Ca 0.15 -0.40 0.05 0.00 0.00 0.00 0.00 61.98 61.77 3a1d s VAL 534 Cb -0.13 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.55 3a1d s VAL 534 CO 0.04 0.39 -0.18 0.00 0.00 0.00 0.00 175.10 175.35 3a1d s ALA 535 N 1.52 2.47 -0.13 5.51 0.00 0.41 -0.34 121.76 131.20 3a1d s ALA 535 Ca 0.06 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.03 3a1d s ALA 535 Cb -0.14 -0.85 0.01 0.00 0.00 0.00 0.00 23.12 22.13 3a1d s ALA 535 CO -0.01 0.49 -0.20 0.50 0.00 0.00 0.00 175.76 176.55 3a1d s ARG 536 N -0.50 2.73 -1.39 0.00 3.52 0.62 -1.03 118.95 122.90 3a1d s ARG 536 Ca 0.06 -0.75 -0.06 0.00 -0.13 0.00 0.00 55.73 54.85 3a1d s ARG 536 Cb -0.12 -2.24 0.04 0.00 -1.56 0.00 0.00 34.95 31.07 3a1d s ARG 536 CO 0.01 -0.03 0.48 0.09 -0.81 0.00 0.00 175.30 175.03 3a1d n ASN 537 N 4.12 -4.79 0.00 -2.12 5.03 -0.54 -1.57 115.26 115.39 3a1d n ASN 537 Ca -0.20 -0.28 0.00 0.00 0.87 0.00 0.00 54.58 54.98 3a1d n ASN 537 Cb 0.51 -3.93 0.00 0.00 -1.02 0.00 0.00 39.78 35.35 3a1d n ASN 537 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3a1d n GLY 538 N -1.28 0.71 3.21 7.41 0.00 -1.26 -5.05 105.19 108.93 3a1d n GLY 538 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3a1d n GLY 538 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a1d s ARG 539 N -0.29 2.59 0.06 1.61 3.00 -0.61 -4.45 118.95 120.86 3a1d s ARG 539 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 55.73 54.61 3a1d s ARG 539 Cb 0.00 -2.08 -0.08 0.00 0.00 0.00 0.00 34.95 32.79 3a1d s ARG 539 CO 0.00 0.25 1.77 0.08 0.00 0.00 0.00 175.30 177.40 3a1d s VAL 540 N 0.14 2.99 -0.05 3.52 1.01 -1.26 -0.28 120.40 126.47 3a1d s VAL 540 Ca -0.11 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 3a1d s VAL 540 Cb -0.15 -3.20 -0.26 0.00 0.00 0.00 0.00 36.38 32.77 3a1d s VAL 540 CO 0.06 -0.01 0.64 -0.33 0.00 0.00 0.00 175.10 175.46 3a1d h GLU 541 N 9.11 0.21 0.00 2.72 4.39 -1.03 -3.47 114.58 126.51 3a1d h GLU 541 Ca -0.45 -0.37 0.00 0.00 0.34 0.00 0.00 59.36 58.89 3a1d h GLU 541 Cb 1.21 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 3a1d h GLU 541 CO 0.94 1.03 0.00 0.41 -1.16 0.00 0.00 179.01 180.24 3a1d n GLY 542 N 1.77 -0.94 3.19 -3.84 0.00 -1.18 -0.12 105.19 104.06 3a1d n GLY 542 Ca -0.22 -0.99 -0.27 0.00 0.00 0.00 0.00 46.02 44.54 3a1d n GLY 542 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1d s ILE 543 N -3.00 1.60 -0.09 -0.61 1.01 -0.05 -1.76 121.20 118.29 3a1d s ILE 543 Ca 0.00 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 59.85 3a1d s ILE 543 Cb 0.00 -1.35 0.00 0.00 0.01 0.00 0.00 42.46 41.12 3a1d s ILE 543 CO 0.00 0.45 -0.22 -0.63 0.00 0.00 0.00 174.94 174.54 3a1d s ILE 544 N -0.24 1.90 -0.09 2.92 1.01 -0.63 -0.63 121.20 125.44 3a1d s ILE 544 Ca 0.02 -0.93 -0.02 0.00 0.00 0.00 0.00 60.65 59.72 3a1d s ILE 544 Cb -0.10 -1.66 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 3a1d s ILE 544 CO 0.01 0.53 -0.01 0.00 0.00 0.00 0.00 174.94 175.46 3a1d s ALA 545 N 0.40 3.21 0.05 9.38 0.00 -0.55 -0.71 121.76 133.54 3a1d s ALA 545 Ca -0.18 -0.82 0.06 0.00 0.00 0.00 0.00 51.96 51.02 3a1d s ALA 545 Cb -0.18 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.47 3a1d s ALA 545 CO 0.08 0.55 -0.18 0.08 0.00 0.00 0.00 175.76 176.28 3a1d s VAL 546 N -0.74 1.46 -0.04 0.00 1.01 0.75 -0.48 120.40 122.36 3a1d s VAL 546 Ca 0.11 -1.16 -0.06 0.00 0.00 0.00 0.00 61.98 60.87 3a1d s VAL 546 Cb -0.11 -1.29 0.01 0.00 0.00 0.00 0.00 36.38 34.98 3a1d s VAL 546 CO 0.02 0.10 0.15 -0.55 0.00 0.00 0.00 175.10 174.82 3a1d s SER 547 N -1.24 -0.10 0.56 3.32 0.15 -0.31 -0.55 113.70 115.52 3a1d s SER 547 Ca 0.05 0.13 0.08 0.00 0.70 0.00 0.00 55.95 56.91 3a1d s SER 547 Cb -0.09 0.28 0.09 0.00 -1.71 0.00 0.00 66.02 64.60 3a1d s SER 547 CO 0.02 -0.16 0.76 -0.67 1.20 0.00 0.00 173.24 174.39 3a1d n ASP 548 N 2.47 1.86 -4.43 5.45 -0.08 -1.26 -1.25 116.55 119.31 3a1d n ASP 548 Ca -0.16 -2.37 -0.30 0.00 -1.51 0.00 0.00 54.79 50.44 3a1d n ASP 548 Cb 0.58 -0.42 -0.13 0.00 2.34 0.00 0.00 41.12 43.49 3a1d n ASP 548 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 3a1d s THR 549 N -2.38 2.63 0.41 5.18 2.01 -1.26 -4.99 115.64 117.24 3a1d s THR 549 Ca 0.57 -1.30 -0.26 0.00 0.31 0.00 0.00 61.69 61.01 3a1d s THR 549 Cb -0.04 -2.11 -0.09 0.00 0.01 0.00 0.00 72.50 70.27 3a1d s THR 549 CO 0.36 0.30 1.29 -0.76 -0.69 0.00 0.00 174.62 175.12 3a1d s LEU 550 N -1.52 4.20 0.52 4.42 1.43 -1.26 -1.18 118.68 125.29 3a1d s LEU 550 Ca 0.14 2.62 -0.22 0.00 -1.03 0.00 0.00 54.13 55.65 3a1d s LEU 550 Cb -0.10 -3.93 -0.07 0.00 0.03 0.00 0.00 46.19 42.12 3a1d s LEU 550 CO 0.05 -0.85 1.20 0.29 0.23 0.00 0.00 176.35 177.28 3a1d n LYS 551 N 0.09 1.51 0.12 1.70 5.02 0.50 -4.73 118.16 122.37 3a1d n LYS 551 Ca 0.04 0.55 0.14 0.00 -2.02 0.00 0.00 58.31 57.03 3a1d n LYS 551 Cb 0.44 -2.37 0.66 0.00 -0.02 0.00 0.00 35.03 33.74 3a1d n LYS 551 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3a1d h GLU 552 N 1.36 0.01 -0.00 1.97 4.39 -1.93 -2.03 114.58 118.34 3a1d h GLU 552 Ca -0.49 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 3a1d h GLU 552 Cb 1.32 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.97 3a1d h GLU 552 CO 0.56 0.00 -0.11 -1.13 -1.16 0.00 0.00 179.01 177.18 3a1d n SER 553 N -4.45 0.24 0.20 1.42 3.41 -1.26 -4.24 113.62 108.94 3a1d n SER 553 Ca 0.04 -0.13 -0.14 0.00 -0.26 0.00 0.00 58.87 58.37 3a1d n SER 553 Cb 0.37 -0.19 -0.08 0.00 -0.26 0.00 0.00 64.21 64.04 3a1d n SER 553 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a1d h ALA 554 N 3.31 -0.49 0.10 7.33 0.00 -1.69 -1.69 119.26 126.13 3a1d h ALA 554 Ca 0.00 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.77 3a1d h ALA 554 Cb 0.40 0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 3a1d h ALA 554 CO 0.00 -0.68 -0.26 -0.22 0.00 0.00 0.00 179.25 178.09 3a1d h LYS 555 N -0.66 -0.44 -0.42 0.00 1.63 -1.77 -0.82 116.57 114.09 3a1d h LYS 555 Ca -0.05 0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 3a1d h LYS 555 Cb 0.47 0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 3a1d h LYS 555 CO 0.08 -0.29 0.09 -1.00 -3.45 0.00 0.00 179.45 174.88 3a1d h PRO 556 N -0.45 0.62 -0.34 1.90 0.13 -1.79 -0.33 132.00 131.74 3a1d h PRO 556 Ca 0.04 -0.11 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 3a1d h PRO 556 Cb 0.49 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.50 3a1d h PRO 556 CO -0.16 0.58 0.17 0.00 -0.23 0.00 0.00 178.00 178.36 3a1d h ALA 557 N 1.50 0.44 -0.20 -0.56 0.00 -0.95 -0.36 119.26 119.12 3a1d h ALA 557 Ca 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3a1d h ALA 557 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3a1d h ALA 557 CO -0.00 -0.01 0.12 0.28 0.00 0.00 0.00 179.25 179.64 3a1d h VAL 558 N 0.42 1.08 -0.58 0.00 2.07 -0.89 -1.20 116.25 117.15 3a1d h VAL 558 Ca 0.12 -0.20 0.04 0.00 0.82 0.00 0.00 66.70 67.47 3a1d h VAL 558 Cb 0.10 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.68 3a1d h VAL 558 CO -0.02 0.08 0.34 1.56 0.02 0.00 0.00 177.57 179.55 3a1d h GLN 559 N 0.25 0.64 -0.37 1.57 4.20 -0.85 -1.32 115.11 119.23 3a1d h GLN 559 Ca 0.07 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.64 3a1d h GLN 559 Cb 0.02 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 3a1d h GLN 559 CO -0.01 0.42 -0.18 1.49 -0.67 0.00 0.00 178.83 179.88 3a1d h GLU 560 N 0.66 0.77 -0.60 1.46 4.57 -0.88 -0.88 114.58 119.68 3a1d h GLU 560 Ca 0.24 -0.33 0.05 0.00 -1.18 0.00 0.00 59.36 58.14 3a1d h GLU 560 Cb 0.07 -0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 28.59 3a1d h GLU 560 CO -0.13 0.95 0.32 -0.07 -1.18 0.00 0.00 179.01 178.91 3a1d h LEU 561 N 0.56 0.47 -0.64 1.64 3.38 -0.88 -1.66 115.31 118.18 3a1d h LEU 561 Ca 0.08 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3a1d h LEU 561 Cb 0.72 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 3a1d h LEU 561 CO 0.05 0.32 0.15 0.11 0.09 0.00 0.00 178.44 179.16 3a1d h LYS 562 N 0.61 1.03 -0.48 1.13 1.57 -1.05 -1.35 116.57 118.04 3a1d h LYS 562 Ca 0.26 -0.25 0.09 0.00 -1.87 0.00 0.00 60.65 58.88 3a1d h LYS 562 Cb 0.16 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 3a1d h LYS 562 CO -0.17 0.93 0.33 0.00 -0.57 0.00 0.00 179.45 179.97 3a1d h ARG 563 N 0.95 0.26 0.00 3.15 3.08 -0.80 -0.66 114.38 120.36 3a1d h ARG 563 Ca 0.20 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3a1d h ARG 563 Cb 0.37 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3a1d h ARG 563 CO 0.00 0.17 0.00 -1.33 -1.07 0.00 0.00 179.97 177.75 3a1d n MET 564 N -4.46 0.96 -1.12 0.04 2.81 -0.65 -4.88 117.12 109.81 3a1d n MET 564 Ca 0.07 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.95 3a1d n MET 564 Cb 0.36 -1.46 -0.00 0.00 -0.71 0.00 0.00 33.22 31.41 3a1d n MET 564 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3a1d n GLY 565 N 0.89 0.44 3.73 3.03 0.00 -0.25 -5.05 105.19 107.98 3a1d n GLY 565 Ca 0.21 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 3a1d n GLY 565 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3a1d s ILE 566 N -2.04 5.36 0.24 -0.61 1.01 -0.60 -4.99 121.20 119.58 3a1d s ILE 566 Ca 0.00 0.17 -0.30 0.00 0.00 0.00 0.00 60.65 60.52 3a1d s ILE 566 Cb 0.00 -3.44 -0.09 0.00 0.01 0.00 0.00 42.46 38.94 3a1d s ILE 566 CO 0.00 0.45 1.21 -0.54 0.00 0.00 0.00 174.94 176.06 3a1d s LYS 567 N 0.27 4.50 -0.07 2.79 1.02 -0.53 -3.60 119.74 124.12 3a1d s LYS 567 Ca 0.08 1.94 0.04 0.00 0.02 0.00 0.00 55.97 58.05 3a1d s LYS 567 Cb -0.11 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 3a1d s LYS 567 CO -0.01 -0.04 -0.19 0.08 -0.92 0.00 0.00 175.35 174.27 3a1d s VAL 568 N -0.56 1.60 0.28 3.17 1.01 -1.26 -0.42 120.40 124.21 3a1d s VAL 568 Ca 0.50 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.72 3a1d s VAL 568 Cb -0.34 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 3a1d s VAL 568 CO 0.41 0.46 0.09 -0.83 0.00 0.00 0.00 175.10 175.23 3a1d s GLY 569 N 0.26 1.84 0.04 4.51 0.00 0.03 -0.09 107.32 113.90 3a1d s GLY 569 Ca -0.11 -1.89 0.05 0.00 0.00 0.00 0.00 44.72 42.78 3a1d s GLY 569 CO 0.05 -1.64 -0.15 -0.29 0.00 0.00 0.00 173.10 171.06 3a1d s MET 570 N -3.99 1.02 0.01 2.90 1.75 -1.13 -0.67 119.30 119.19 3a1d s MET 570 Ca 0.37 -0.77 0.05 0.00 -1.25 0.00 0.00 55.69 54.09 3a1d s MET 570 Cb 0.08 -1.04 -0.02 0.00 2.84 0.00 0.00 34.83 36.69 3a1d s MET 570 CO 0.14 0.26 -0.15 -1.50 -0.65 0.00 0.00 175.02 173.12 3a1d s ILE 571 N -0.81 1.19 -0.03 10.11 2.07 0.04 -1.20 121.20 132.58 3a1d s ILE 571 Ca 0.03 -0.83 -0.28 0.00 -1.41 0.00 0.00 60.65 58.16 3a1d s ILE 571 Cb -0.08 -1.03 0.06 0.00 0.13 0.00 0.00 42.46 41.54 3a1d s ILE 571 CO 0.01 0.19 0.63 0.28 -1.91 0.00 0.00 174.94 174.14 3a1d s THR 572 N -0.58 0.01 -1.76 4.00 -1.32 -0.42 -0.79 115.64 114.78 3a1d s THR 572 Ca 0.04 -0.06 0.29 0.00 -1.21 0.00 0.00 61.69 60.75 3a1d s THR 572 Cb -0.07 -0.96 0.52 0.00 -1.51 0.00 0.00 72.50 70.48 3a1d s THR 572 CO 0.00 -0.04 1.90 0.61 -2.21 0.00 0.00 174.62 174.89 3a1d n GLY 573 N 0.83 -0.87 3.84 6.08 0.00 -1.26 -2.00 105.19 111.81 3a1d n GLY 573 Ca -0.19 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 3a1d n GLY 573 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a1d s ASP 574 N -2.38 3.67 0.63 1.61 -0.00 -1.26 -3.89 116.67 115.05 3a1d s ASP 574 Ca 0.32 0.76 -0.16 0.00 -0.00 0.00 0.00 52.55 53.47 3a1d s ASP 574 Cb 0.20 -1.20 -0.02 0.00 -0.00 0.00 0.00 42.92 41.91 3a1d s ASP 574 CO 0.45 -2.43 1.11 0.54 -0.00 0.00 0.00 175.17 174.84 3a1d s ASN 575 N -4.37 5.28 0.19 0.27 2.20 -1.26 -0.68 114.94 116.58 3a1d s ASN 575 Ca 0.65 2.03 -0.10 0.00 -0.94 0.00 0.00 52.86 54.50 3a1d s ASN 575 Cb -0.11 -2.56 0.12 0.00 -2.00 0.00 0.00 41.25 36.70 3a1d s ASN 575 CO 0.52 -1.51 1.76 -0.50 -2.94 0.00 0.00 177.10 174.43 3a1d h TRP 576 N 0.31 1.03 -0.50 1.54 4.06 -1.95 -2.23 115.95 118.21 3a1d h TRP 576 Ca -0.47 -0.07 -0.06 0.00 2.06 0.00 0.00 58.89 60.35 3a1d h TRP 576 Cb 1.25 -0.31 -0.02 0.00 -1.00 0.00 0.00 29.16 29.08 3a1d h TRP 576 CO 0.54 0.79 0.07 0.00 -3.56 0.00 0.00 178.44 176.29 3a1d h ARG 577 N 0.98 0.83 -0.57 0.49 3.08 -1.93 0.91 114.38 118.17 3a1d h ARG 577 Ca 0.23 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.99 3a1d h ARG 577 Cb 0.18 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3a1d h ARG 577 CO -0.02 0.83 0.10 1.03 -1.07 0.00 0.00 179.97 180.84 3a1d h SER 578 N 0.71 0.91 -0.34 7.04 0.87 -1.48 -1.93 113.55 119.32 3a1d h SER 578 Ca 0.15 -0.26 -0.08 0.00 -1.23 0.00 0.00 61.79 60.37 3a1d h SER 578 Cb 0.41 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.11 3a1d h SER 578 CO 0.01 0.93 -0.06 0.00 -0.53 0.00 0.00 176.83 177.18 3a1d h ALA 579 N 1.01 1.08 -0.52 6.23 0.00 -0.84 -1.13 119.26 125.09 3a1d h ALA 579 Ca 0.17 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.71 3a1d h ALA 579 Cb 0.41 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3a1d h ALA 579 CO 0.01 0.57 -0.02 1.49 0.00 0.00 0.00 179.25 181.31 3a1d h GLU 580 N 0.69 0.92 -0.67 0.00 4.57 -0.72 0.16 114.58 119.53 3a1d h GLU 580 Ca 0.13 -0.30 0.05 0.00 -1.18 0.00 0.00 59.36 58.05 3a1d h GLU 580 Cb 0.51 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 28.98 3a1d h GLU 580 CO 0.03 0.95 0.39 0.00 -1.18 0.00 0.00 179.01 179.20 3a1d h ALA 581 N 0.94 0.90 -0.24 2.92 0.00 -0.98 -0.54 119.26 122.25 3a1d h ALA 581 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 3a1d h ALA 581 Cb 0.55 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3a1d h ALA 581 CO 0.03 0.10 -0.51 0.82 0.00 0.00 0.00 179.25 179.69 3a1d h ILE 582 N 0.74 1.30 -0.83 0.00 2.04 -0.99 -1.82 117.51 117.95 3a1d h ILE 582 Ca 0.29 -1.72 -0.03 0.00 1.00 0.00 0.00 64.86 64.40 3a1d h ILE 582 Cb 0.13 1.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.83 3a1d h ILE 582 CO -0.16 0.55 0.38 -1.28 0.00 0.00 0.00 178.15 177.64 3a1d h SER 583 N 0.53 1.10 -0.21 1.72 0.87 -0.47 -0.55 113.55 116.54 3a1d h SER 583 Ca 0.02 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.41 3a1d h SER 583 Cb 1.06 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 3a1d h SER 583 CO 0.10 0.94 0.04 0.03 -0.53 0.00 0.00 176.83 177.41 3a1d h ARG 584 N 1.18 0.34 -0.25 2.24 3.08 -0.97 0.31 114.38 120.31 3a1d h ARG 584 Ca 0.28 -0.09 0.04 0.00 0.07 0.00 0.00 59.98 60.28 3a1d h ARG 584 Cb 0.14 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 3a1d h ARG 584 CO -0.03 0.48 0.02 1.49 -1.07 0.00 0.00 179.97 180.85 3a1d h GLU 585 N 0.15 0.10 -0.01 0.04 4.57 -1.00 -2.95 114.58 115.47 3a1d h GLU 585 Ca 0.06 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3a1d h GLU 585 Cb 0.30 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 3a1d h GLU 585 CO 0.00 0.06 -0.10 1.28 -1.18 0.00 0.00 179.01 179.08 3a1d n LEU 586 N -5.13 0.90 -3.58 1.64 4.77 -0.24 -4.94 117.00 110.43 3a1d n LEU 586 Ca -0.01 -0.23 -0.23 0.00 -0.03 0.00 0.00 56.01 55.51 3a1d n LEU 586 Cb 0.12 -0.08 0.08 0.00 -2.33 0.00 0.00 43.42 41.21 3a1d n LEU 586 CO 0.26 0.16 0.23 0.59 -1.33 0.00 0.00 177.39 177.29 3a1d n ASN 587 N -0.51 -5.80 -4.76 -1.43 3.02 -0.05 -4.82 115.26 100.92 3a1d n ASN 587 Ca 0.16 -0.55 -0.35 0.00 -0.03 0.00 0.00 54.58 53.81 3a1d n ASN 587 Cb 0.30 -5.05 0.03 0.00 -0.61 0.00 0.00 39.78 34.45 3a1d n ASN 587 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3a1d s LEU 588 N -7.19 3.62 0.31 3.41 1.43 -0.36 -4.93 118.68 114.97 3a1d s LEU 588 Ca 0.51 2.28 0.16 0.00 -1.03 0.00 0.00 54.13 56.05 3a1d s LEU 588 Cb -0.22 -4.59 0.32 0.00 0.03 0.00 0.00 46.19 41.72 3a1d s LEU 588 CO 0.73 -1.56 1.56 0.44 0.23 0.00 0.00 176.35 177.75 3a1d h ASP 589 N 0.75 0.00 -4.98 2.29 5.19 -0.85 -3.47 116.42 115.35 3a1d h ASP 589 Ca -0.50 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.89 3a1d h ASP 589 Cb 1.28 0.00 -0.14 0.00 0.18 0.00 0.00 39.33 40.65 3a1d h ASP 589 CO 0.55 0.49 0.22 -1.48 -3.12 0.00 0.00 179.24 175.90 3a1d s LEU 590 N -6.74 -0.59 -0.05 1.55 0.05 -1.17 -4.99 118.68 106.74 3a1d s LEU 590 Ca 0.02 0.23 -0.04 0.00 0.05 0.00 0.00 54.13 54.39 3a1d s LEU 590 Cb 0.09 2.55 0.01 0.00 -2.05 0.00 0.00 46.19 46.80 3a1d s LEU 590 CO 0.72 -0.84 0.13 0.54 -0.55 0.00 0.00 176.35 176.35 3a1d s VAL 591 N -2.90 -0.00 -0.14 1.48 0.11 -1.26 -2.86 120.40 114.83 3a1d s VAL 591 Ca -0.03 0.01 -0.01 0.00 -2.93 0.00 0.00 61.98 59.02 3a1d s VAL 591 Cb -0.01 -0.18 0.04 0.00 -1.53 0.00 0.00 36.38 34.70 3a1d s VAL 591 CO -0.06 0.00 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.06 3a1d s ILE 592 N 0.10 0.76 0.43 7.04 1.01 -0.35 -4.98 121.20 125.23 3a1d s ILE 592 Ca -0.00 -0.34 0.03 0.00 0.00 0.00 0.00 60.65 60.34 3a1d s ILE 592 Cb -0.01 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.46 3a1d s ILE 592 CO -0.00 0.14 0.09 0.00 0.00 0.00 0.00 174.94 175.16 3a1d s ALA 593 N 1.79 3.25 -1.17 9.38 0.00 -1.26 -1.29 121.76 132.45 3a1d s ALA 593 Ca 0.02 -1.06 -0.07 0.00 0.00 0.00 0.00 51.96 50.85 3a1d s ALA 593 Cb -0.14 0.52 0.05 0.00 0.00 0.00 0.00 23.12 23.55 3a1d s ALA 593 CO -0.07 -0.24 0.36 0.39 0.00 0.00 0.00 175.76 176.20 3a1d n GLU 594 N -1.00 -3.11 -2.28 0.00 1.02 0.15 -4.86 120.64 110.56 3a1d n GLU 594 Ca -0.10 0.48 -0.42 0.00 -0.02 0.00 0.00 57.16 57.10 3a1d n GLU 594 Cb 0.66 -5.15 -0.03 0.00 -0.02 0.00 0.00 31.44 26.90 3a1d n GLU 594 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3a1d s VAL 595 N -2.82 3.86 0.81 2.62 1.01 -0.97 -4.95 120.40 119.96 3a1d s VAL 595 Ca 0.29 1.21 -0.12 0.00 0.00 0.00 0.00 61.98 63.36 3a1d s VAL 595 Cb -0.15 -3.78 0.08 0.00 0.00 0.00 0.00 36.38 32.53 3a1d s VAL 595 CO 0.36 -0.01 1.16 -0.76 0.00 0.00 0.00 175.10 175.84 3a1d s LEU 596 N 2.51 3.08 0.04 3.92 1.43 -1.26 -4.46 118.68 123.94 3a1d s LEU 596 Ca 0.62 2.18 -0.38 0.00 -1.03 0.00 0.00 54.13 55.52 3a1d s LEU 596 Cb -0.29 -4.57 -0.18 0.00 0.03 0.00 0.00 46.19 41.18 3a1d s LEU 596 CO 0.25 -2.53 1.29 -2.65 0.23 0.00 0.00 176.35 172.93 3a1d n PRO 597 N -3.45 0.82 -0.94 1.29 -0.02 -1.26 -1.32 135.00 130.13 3a1d n PRO 597 Ca 0.12 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3a1d n PRO 597 Cb 0.51 -1.90 0.00 0.00 -0.02 0.00 0.00 33.50 32.09 3a1d n PRO 597 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3a1d n HIS 598 N 2.37 0.00 1.38 6.00 8.25 -1.26 -4.89 115.22 127.07 3a1d n HIS 598 Ca 0.19 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.79 3a1d n HIS 598 Cb 0.16 -0.23 0.42 0.00 1.12 0.00 0.00 29.99 31.46 3a1d n HIS 598 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3a1d n GLN 599 N -2.05 1.83 -0.22 -0.41 1.13 -0.44 -4.31 117.38 112.91 3a1d n GLN 599 Ca 0.00 -1.21 -0.01 0.00 -1.94 0.00 0.00 57.00 53.84 3a1d n GLN 599 Cb 0.01 -1.48 0.20 0.00 0.11 0.00 0.00 30.24 29.08 3a1d n GLN 599 CO 0.00 0.00 0.00 0.87 -1.44 0.00 0.00 177.06 176.49 3a1d h LYS 600 N 2.94 1.01 -0.68 -1.09 1.57 -1.90 -1.59 116.57 116.82 3a1d h LYS 600 Ca 0.00 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 3a1d h LYS 600 Cb 0.62 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.70 3a1d h LYS 600 CO 0.00 0.74 0.40 0.77 -0.57 0.00 0.00 179.45 180.79 3a1d h SER 601 N 1.02 0.82 -0.13 0.86 0.02 -1.88 -0.67 113.55 113.59 3a1d h SER 601 Ca 0.26 -0.05 -0.13 0.00 -0.84 0.00 0.00 61.79 61.03 3a1d h SER 601 Cb 0.02 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 3a1d h SER 601 CO -0.04 0.64 -0.37 -0.33 -1.14 0.00 0.00 176.83 175.59 3a1d h GLU 602 N 0.94 0.65 -0.56 3.45 4.39 -1.59 0.14 114.58 122.00 3a1d h GLU 602 Ca 0.24 -0.32 -0.07 0.00 0.34 0.00 0.00 59.36 59.56 3a1d h GLU 602 Cb -0.02 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 3a1d h GLU 602 CO -0.04 0.92 0.09 0.93 -1.16 0.00 0.00 179.01 179.75 3a1d h GLU 603 N 0.54 0.93 -0.32 2.33 4.39 -0.78 -1.30 114.58 120.37 3a1d h GLU 603 Ca 0.05 -0.25 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 3a1d h GLU 603 Cb 0.89 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.41 3a1d h GLU 603 CO 0.08 0.89 0.19 0.28 -1.16 0.00 0.00 179.01 179.29 3a1d h VAL 604 N 0.82 1.12 -1.00 3.13 2.07 -0.90 -2.67 116.25 118.82 3a1d h VAL 604 Ca 0.17 -0.29 0.05 0.00 0.82 0.00 0.00 66.70 67.45 3a1d h VAL 604 Cb 0.42 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.85 3a1d h VAL 604 CO 0.01 0.12 0.65 0.50 0.02 0.00 0.00 177.57 178.87 3a1d h LYS 605 N 0.41 1.19 -0.35 1.57 3.64 -0.42 -1.27 116.57 121.35 3a1d h LYS 605 Ca 0.12 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3a1d h LYS 605 Cb 0.03 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 3a1d h LYS 605 CO -0.02 0.79 0.23 -0.22 -2.27 0.00 0.00 179.45 177.96 3a1d h LYS 606 N 1.23 0.47 -0.49 1.90 1.63 -1.14 -2.65 116.57 117.52 3a1d h LYS 606 Ca 0.42 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.18 3a1d h LYS 606 Cb 0.08 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 3a1d h LYS 606 CO -0.15 0.31 0.28 -0.07 -3.45 0.00 0.00 179.45 176.37 3a1d h LEU 607 N 0.48 0.58 0.00 5.20 3.38 -0.97 -2.75 115.31 121.22 3a1d h LEU 607 Ca 0.13 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3a1d h LEU 607 Cb -0.05 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.55 3a1d h LEU 607 CO -0.03 0.46 0.00 0.00 0.09 0.00 0.00 178.44 178.96 3a1d n GLN 608 N -4.42 0.12 -0.24 1.13 6.02 -0.57 -1.53 117.38 117.89 3a1d n GLN 608 Ca 0.04 0.21 -0.02 0.00 -0.01 0.00 0.00 57.00 57.22 3a1d n GLN 608 Cb 0.09 -1.50 0.17 0.00 1.02 0.00 0.00 30.24 30.01 3a1d n GLN 608 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3a1d h ALA 609 N 2.53 1.28 0.00 -1.58 0.00 -1.52 -3.34 119.26 116.62 3a1d h ALA 609 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3a1d h ALA 609 Cb 0.14 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3a1d h ALA 609 CO 0.00 0.58 0.00 0.36 0.00 0.00 0.00 179.25 180.19 3a1d n LYS 610 N -4.35 -0.09 -4.36 0.00 2.85 -1.05 -5.08 118.16 106.09 3a1d n LYS 610 Ca 0.08 -0.34 -0.26 0.00 -1.05 0.00 0.00 58.31 56.74 3a1d n LYS 610 Cb 0.11 -0.82 -0.13 0.00 -0.65 0.00 0.00 35.03 33.54 3a1d n LYS 610 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3a1d s GLU 611 N -0.08 1.26 -0.36 -1.58 0.41 -0.58 -5.09 118.70 112.69 3a1d s GLU 611 Ca 0.00 -1.22 -0.20 0.00 -0.41 0.00 0.00 54.97 53.14 3a1d s GLU 611 Cb 0.00 -1.61 0.00 0.00 -1.78 0.00 0.00 34.13 30.74 3a1d s GLU 611 CO 0.00 0.38 0.62 0.08 -0.49 0.00 0.00 175.26 175.85 3a1d s VAL 612 N -1.09 4.90 -0.17 2.63 1.01 -1.26 -4.15 120.40 122.27 3a1d s VAL 612 Ca 0.10 0.55 -0.04 0.00 0.00 0.00 0.00 61.98 62.59 3a1d s VAL 612 Cb -0.10 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 3a1d s VAL 612 CO 0.05 -0.30 -0.04 -0.69 0.00 0.00 0.00 175.10 174.11 3a1d s VAL 613 N 2.67 3.73 -0.22 2.92 1.01 -1.26 -0.83 120.40 128.42 3a1d s VAL 613 Ca 0.24 -0.41 -0.10 0.00 0.00 0.00 0.00 61.98 61.71 3a1d s VAL 613 Cb -0.15 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 3a1d s VAL 613 CO 0.15 0.47 0.15 0.00 0.00 0.00 0.00 175.10 175.86 3a1d s ALA 614 N 0.66 3.64 -0.19 5.51 0.00 -0.17 -1.25 121.76 129.97 3a1d s ALA 614 Ca -0.02 -0.80 -0.07 0.00 0.00 0.00 0.00 51.96 51.07 3a1d s ALA 614 Cb -0.14 -2.25 -0.04 0.00 0.00 0.00 0.00 23.12 20.69 3a1d s ALA 614 CO 0.02 -0.03 0.05 0.12 0.00 0.00 0.00 175.76 175.91 3a1d s PHE 615 N 0.74 3.18 -0.24 0.00 5.36 -0.53 -0.62 117.98 125.87 3a1d s PHE 615 Ca 0.08 -0.08 -0.05 0.00 -0.96 0.00 0.00 56.93 55.91 3a1d s PHE 615 Cb -0.12 -2.08 -0.01 0.00 -0.34 0.00 0.00 43.02 40.46 3a1d s PHE 615 CO 0.02 0.03 0.00 0.08 -1.46 0.00 0.00 175.22 173.89 3a1d s VAL 616 N 0.59 3.66 0.00 3.12 1.01 0.06 -0.67 120.40 128.18 3a1d s VAL 616 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.51 3a1d s VAL 616 Cb -0.13 -2.73 0.00 0.00 0.00 0.00 0.00 36.38 33.51 3a1d s VAL 616 CO 0.02 0.32 0.00 0.61 0.00 0.00 0.00 175.10 176.05 3a1d n GLY 617 N 4.83 3.98 0.02 4.51 0.00 -0.32 -0.69 105.19 117.53 3a1d n GLY 617 Ca -0.17 -1.52 0.12 0.00 0.00 0.00 0.00 46.02 44.45 3a1d n GLY 617 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3a1d n ASP 618 N -2.18 0.46 0.00 1.61 5.68 -1.25 -0.92 116.55 119.95 3a1d n ASP 618 Ca 0.00 0.05 0.00 0.00 -0.50 0.00 0.00 54.79 54.34 3a1d n ASP 618 Cb 0.00 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 3a1d n ASP 618 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3a1d n GLY 619 N 1.45 0.82 0.78 6.12 0.00 -1.26 -4.51 105.19 108.60 3a1d n GLY 619 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 3a1d n GLY 619 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3a1d n ILE 620 N -2.16 0.85 1.09 -0.61 2.08 -1.26 -1.08 119.36 118.26 3a1d n ILE 620 Ca 0.00 0.11 0.12 0.00 0.56 0.00 0.00 62.75 63.54 3a1d n ILE 620 Cb 0.01 -1.69 0.14 0.00 -0.75 0.00 0.00 39.64 37.34 3a1d n ILE 620 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3a1d n ASN 621 N -3.54 2.12 -1.80 4.38 4.13 -1.26 -4.40 115.26 114.89 3a1d n ASN 621 Ca -0.09 -1.57 0.02 0.00 1.68 0.00 0.00 54.58 54.61 3a1d n ASN 621 Cb 0.37 0.24 0.05 0.00 -1.54 0.00 0.00 39.78 38.90 3a1d n ASN 621 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 3a1d n ASP 622 N 0.32 1.44 -0.35 6.41 5.68 -1.26 -4.91 116.55 123.88 3a1d n ASP 622 Ca 0.12 -2.30 0.01 0.00 -0.50 0.00 0.00 54.79 52.12 3a1d n ASP 622 Cb 0.48 -0.38 0.15 0.00 -1.14 0.00 0.00 41.12 40.23 3a1d n ASP 622 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3a1d h ALA 623 N 1.51 1.30 -0.90 2.12 0.00 -1.83 -2.19 119.26 119.27 3a1d h ALA 623 Ca -0.15 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3a1d h ALA 623 Cb 1.61 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 3a1d h ALA 623 CO 0.15 0.42 0.54 -1.35 0.00 0.00 0.00 179.25 179.01 3a1d h PRO 624 N 1.14 1.22 -0.58 0.00 0.11 -1.95 0.31 132.00 132.24 3a1d h PRO 624 Ca 0.40 -0.11 -0.10 0.00 0.11 0.00 0.00 66.00 66.30 3a1d h PRO 624 Cb 0.11 -0.26 -0.02 0.00 0.11 0.00 0.00 31.00 30.94 3a1d h PRO 624 CO -0.15 0.86 -0.02 0.00 -0.21 0.00 0.00 178.00 178.47 3a1d h ALA 625 N 1.35 0.79 -0.65 -0.75 0.00 -1.84 -0.49 119.26 117.68 3a1d h ALA 625 Ca 0.32 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.94 3a1d h ALA 625 Cb -0.05 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3a1d h ALA 625 CO -0.06 0.64 0.40 -0.07 0.00 0.00 0.00 179.25 180.16 3a1d h LEU 626 N 0.94 0.64 -0.60 0.00 3.38 -0.97 -2.06 115.31 116.64 3a1d h LEU 626 Ca 0.16 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 3a1d h LEU 626 Cb 0.58 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3a1d h LEU 626 CO 0.03 0.44 -0.10 0.00 0.09 0.00 0.00 178.44 178.91 3a1d h ALA 627 N 1.28 0.80 -0.73 1.53 0.00 -0.65 -3.18 119.26 118.32 3a1d h ALA 627 Ca 0.26 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3a1d h ALA 627 Cb 0.04 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3a1d h ALA 627 CO -0.11 0.67 0.19 0.37 0.00 0.00 0.00 179.25 180.37 3a1d h GLN 628 N 0.90 1.15 -7.16 0.00 5.75 -0.86 -3.45 115.11 111.45 3a1d h GLN 628 Ca 0.14 -0.27 -0.54 0.00 -0.15 0.00 0.00 58.65 57.84 3a1d h GLN 628 Cb 0.66 -0.16 0.16 0.00 1.07 0.00 0.00 27.48 29.21 3a1d h GLN 628 CO 0.05 1.00 0.43 0.00 -2.65 0.00 0.00 178.83 177.65 3a1d s ALA 629 N -5.34 2.18 0.33 3.38 0.00 -0.79 -4.91 121.76 116.61 3a1d s ALA 629 Ca -0.12 0.98 0.03 0.00 0.00 0.00 0.00 51.96 52.84 3a1d s ALA 629 Cb 0.15 -3.49 0.61 0.00 0.00 0.00 0.00 23.12 20.39 3a1d s ALA 629 CO 0.85 -1.80 1.94 -0.44 0.00 0.00 0.00 175.76 176.31 3a1d h ASP 630 N -0.06 0.80 -3.25 0.00 5.19 -1.48 -3.40 116.42 114.22 3a1d h ASP 630 Ca -0.49 -0.00 -0.43 0.00 -0.62 0.00 0.00 57.03 55.49 3a1d h ASP 630 Cb 1.31 -0.17 -0.39 0.00 0.18 0.00 0.00 39.33 40.26 3a1d h ASP 630 CO 0.51 0.53 -0.76 -0.22 -3.12 0.00 0.00 179.24 176.17 3a1d s LEU 631 N -9.85 0.53 -0.25 1.55 2.96 -0.84 -5.01 118.68 107.77 3a1d s LEU 631 Ca -0.11 -0.18 -0.12 0.00 -0.22 0.00 0.00 54.13 53.51 3a1d s LEU 631 Cb 0.19 -0.37 -0.05 0.00 0.50 0.00 0.00 46.19 46.47 3a1d s LEU 631 CO 0.78 -0.23 0.24 -0.83 -1.32 0.00 0.00 176.35 175.00 3a1d s GLY 632 N 2.02 1.97 -0.20 7.98 0.00 -1.24 -1.46 107.32 116.39 3a1d s GLY 632 Ca 0.04 -0.86 -0.01 0.00 0.00 0.00 0.00 44.72 43.89 3a1d s GLY 632 CO -0.05 0.62 -0.12 -0.42 0.00 0.00 0.00 173.10 173.13 3a1d s ILE 633 N 1.43 2.65 0.03 0.90 1.01 0.16 -0.14 121.20 127.24 3a1d s ILE 633 Ca 0.11 -0.78 -0.17 0.00 0.00 0.00 0.00 60.65 59.81 3a1d s ILE 633 Cb -0.15 -2.19 -0.06 0.00 0.01 0.00 0.00 42.46 40.08 3a1d s ILE 633 CO 0.07 0.45 0.48 0.00 0.00 0.00 0.00 174.94 175.95 3a1d s ALA 634 N 1.37 3.65 -0.05 9.38 0.00 -0.13 -1.17 121.76 134.81 3a1d s ALA 634 Ca 0.05 -0.11 0.04 0.00 0.00 0.00 0.00 51.96 51.94 3a1d s ALA 634 Cb -0.14 -2.49 -0.02 0.00 0.00 0.00 0.00 23.12 20.46 3a1d s ALA 634 CO -0.08 0.44 -0.17 0.08 0.00 0.00 0.00 175.76 176.03 3a1d s VAL 635 N -1.07 2.83 -0.39 0.00 1.01 -0.10 -0.42 120.40 122.26 3a1d s VAL 635 Ca 0.26 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.41 3a1d s VAL 635 Cb -0.18 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.12 3a1d s VAL 635 CO 0.16 0.59 0.34 0.61 0.00 0.00 0.00 175.10 176.79 3a1d n GLY 636 N 2.40 0.49 0.19 4.51 0.00 -0.41 -4.66 105.19 107.71 3a1d n GLY 636 Ca -0.17 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.50 3a1d n GLY 636 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3a1d h SER 637 N -0.77 0.00 -1.99 1.61 4.64 -1.14 -3.47 113.55 112.44 3a1d h SER 637 Ca -0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 3a1d h SER 637 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3a1d h SER 637 CO 0.16 0.36 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 3a1d n GLY 638 N -0.21 -1.27 0.00 -0.77 0.00 -0.20 -4.31 105.19 98.43 3a1d n GLY 638 Ca -0.01 -1.19 0.14 0.00 0.00 0.00 0.00 46.02 44.95 3a1d n GLY 638 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a1d n SER 639 N -1.00 0.00 -4.45 1.61 3.41 -1.26 -4.54 113.62 107.39 3a1d n SER 639 Ca 0.00 0.08 -0.37 0.00 -0.26 0.00 0.00 58.87 58.33 3a1d n SER 639 Cb 0.00 -0.36 -0.12 0.00 -0.26 0.00 0.00 64.21 63.47 3a1d n SER 639 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3a1d s ASP 640 N -2.71 5.24 -0.20 4.04 2.15 -1.26 -4.98 116.67 118.94 3a1d s ASP 640 Ca 0.22 -0.24 0.16 0.00 0.43 0.00 0.00 52.55 53.12 3a1d s ASP 640 Cb 0.19 -1.94 0.55 0.00 -0.30 0.00 0.00 42.92 41.42 3a1d s ASP 640 CO 0.46 -0.06 1.46 1.33 -0.17 0.00 0.00 175.17 178.19 3a1d n VAL 641 N 4.94 2.37 -0.06 1.11 0.24 -1.26 -4.73 118.33 120.94 3a1d n VAL 641 Ca -0.16 -1.93 -0.11 0.00 -2.04 0.00 0.00 64.34 60.10 3a1d n VAL 641 Cb 0.51 -0.27 -0.05 0.00 -1.47 0.00 0.00 33.84 32.56 3a1d n VAL 641 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a1d h ALA 642 N 1.86 0.25 0.00 2.33 0.00 -1.97 -3.35 119.26 118.38 3a1d h ALA 642 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3a1d h ALA 642 Cb 1.53 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.25 3a1d h ALA 642 CO 0.27 -0.13 -1.73 1.33 0.00 0.00 0.00 179.25 179.00 3a1d n VAL 643 N -4.80 0.12 -2.06 0.00 0.24 -1.26 -4.95 118.33 105.61 3a1d n VAL 643 Ca -0.04 -0.47 -0.42 0.00 -2.04 0.00 0.00 64.34 61.37 3a1d n VAL 643 Cb 0.15 0.00 -0.03 0.00 -1.47 0.00 0.00 33.84 32.50 3a1d n VAL 643 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 3a1d s GLU 644 N -3.45 4.25 0.56 7.34 8.01 -1.26 -4.84 118.70 129.31 3a1d s GLU 644 Ca -0.05 2.18 -0.06 0.00 0.01 0.00 0.00 54.97 57.04 3a1d s GLU 644 Cb 0.13 -3.46 -0.01 0.00 -4.31 0.00 0.00 34.13 26.49 3a1d s GLU 644 CO 0.88 -0.61 0.88 -1.12 0.01 0.00 0.00 175.26 175.30 3a1d s SER 645 N 1.81 5.86 0.00 -0.19 0.01 -0.24 -5.03 113.70 115.92 3a1d s SER 645 Ca 0.68 0.86 0.00 0.00 1.31 0.00 0.00 55.95 58.80 3a1d s SER 645 Cb -0.37 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 63.90 3a1d s SER 645 CO 0.30 -0.90 0.00 0.61 0.41 0.00 0.00 173.24 173.66 3a1d n GLY 646 N -2.51 3.74 0.14 3.44 0.00 -1.26 -4.34 105.19 104.40 3a1d n GLY 646 Ca 0.03 -1.76 -0.06 0.00 0.00 0.00 0.00 46.02 44.24 3a1d n GLY 646 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3a1d h ASP 647 N 0.00 0.21 -3.69 1.61 5.19 -0.88 -3.44 116.42 115.42 3a1d h ASP 647 Ca 0.00 -0.15 -0.40 0.00 -0.62 0.00 0.00 57.03 55.86 3a1d h ASP 647 Cb 0.00 -0.06 -0.32 0.00 0.18 0.00 0.00 39.33 39.13 3a1d h ASP 647 CO 0.00 0.88 -0.77 -0.63 -3.12 0.00 0.00 179.24 175.59 3a1d s ILE 648 N -3.46 0.60 -0.13 0.35 1.01 -0.83 -1.31 121.20 117.45 3a1d s ILE 648 Ca -0.03 -0.23 0.03 0.00 0.00 0.00 0.00 60.65 60.42 3a1d s ILE 648 Cb 0.11 -0.56 0.01 0.00 0.01 0.00 0.00 42.46 42.02 3a1d s ILE 648 CO 0.81 0.21 -0.23 -0.69 0.00 0.00 0.00 174.94 175.04 3a1d s VAL 649 N 0.41 2.08 -0.22 2.92 1.01 0.35 -0.95 120.40 125.99 3a1d s VAL 649 Ca -0.06 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 60.84 3a1d s VAL 649 Cb -0.10 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 3a1d s VAL 649 CO 0.00 0.55 0.13 -0.76 0.00 0.00 0.00 175.10 175.02 3a1d s LEU 650 N 0.65 4.03 0.11 3.92 1.43 0.44 -0.01 118.68 129.25 3a1d s LEU 650 Ca -0.11 0.11 -0.16 0.00 -1.03 0.00 0.00 54.13 52.94 3a1d s LEU 650 Cb -0.16 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.96 3a1d s LEU 650 CO 0.02 0.11 1.58 0.40 0.23 0.00 0.00 176.35 178.69 3a1d h ILE 651 N 4.93 1.24 -4.08 -0.59 1.08 -1.67 -0.87 117.51 117.55 3a1d h ILE 651 Ca -0.38 -0.86 -0.49 0.00 -0.39 0.00 0.00 64.86 62.74 3a1d h ILE 651 Cb 1.16 1.13 0.07 0.00 -3.07 0.00 0.00 36.82 36.11 3a1d h ILE 651 CO 0.69 0.29 0.30 -0.13 -0.69 0.00 0.00 178.15 178.60 3a1d s ARG 652 N -5.15 2.96 0.13 2.37 0.52 -1.26 -1.03 118.95 117.49 3a1d s ARG 652 Ca -0.13 0.27 0.25 0.00 -0.52 0.00 0.00 55.73 55.60 3a1d s ARG 652 Cb 0.09 -2.15 0.59 0.00 0.52 0.00 0.00 34.95 34.01 3a1d s ARG 652 CO 0.76 -0.83 1.54 -0.25 0.02 0.00 0.00 175.30 176.54 3a1d n ASP 653 N -2.78 0.66 -4.63 0.23 8.00 -1.26 -1.46 116.55 115.32 3a1d n ASP 653 Ca 0.06 0.27 -0.43 0.00 0.71 0.00 0.00 54.79 55.40 3a1d n ASP 653 Cb 0.57 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.43 3a1d n ASP 653 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3a1d s ASP 654 N -4.12 6.16 0.59 -2.24 -1.08 -1.26 -4.84 116.67 109.88 3a1d s ASP 654 Ca 0.09 1.97 0.36 0.00 -0.52 0.00 0.00 52.55 54.45 3a1d s ASP 654 Cb 0.14 -2.53 1.76 0.00 -1.46 0.00 0.00 42.92 40.83 3a1d s ASP 654 CO 0.66 -1.38 2.14 -0.07 0.52 0.00 0.00 175.17 177.03 3a1d h LEU 655 N 12.28 0.00 -1.16 -1.34 3.38 -1.90 -1.40 115.31 125.18 3a1d h LEU 655 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 3a1d h LEU 655 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3a1d h LEU 655 CO 0.97 0.03 0.00 0.03 0.09 0.00 0.00 178.44 179.56 3a1d h ARG 656 N 0.00 0.00 0.00 1.13 3.08 -1.90 -0.95 114.38 115.75 3a1d h ARG 656 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 3a1d h ARG 656 Cb 0.30 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.35 3a1d h ARG 656 CO 0.00 0.00 -0.14 -0.44 -1.07 0.00 0.00 179.97 178.32 3a1d h ASP 657 N 0.00 0.00 -0.18 7.04 3.45 -1.64 0.50 116.42 125.58 3a1d h ASP 657 Ca 0.00 0.00 -0.04 0.00 0.43 0.00 0.00 57.03 57.42 3a1d h ASP 657 Cb 0.24 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.00 3a1d h ASP 657 CO 0.00 0.14 -0.05 0.58 -1.57 0.00 0.00 179.24 178.34 3a1d h VAL 658 N 0.00 1.29 -0.55 -1.35 2.07 -1.35 -1.39 116.25 114.97 3a1d h VAL 658 Ca -0.00 -1.04 0.02 0.00 0.82 0.00 0.00 66.70 66.50 3a1d h VAL 658 Cb 0.51 1.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.84 3a1d h VAL 658 CO 0.02 0.31 0.34 0.58 0.02 0.00 0.00 177.57 178.84 3a1d h VAL 659 N 0.07 1.08 -0.57 2.57 2.07 -1.50 -2.07 116.25 117.90 3a1d h VAL 659 Ca 0.05 -0.23 0.09 0.00 0.82 0.00 0.00 66.70 67.43 3a1d h VAL 659 Cb 0.50 0.34 -0.07 0.00 -1.52 0.00 0.00 31.29 30.54 3a1d h VAL 659 CO 0.02 0.12 0.18 0.00 0.02 0.00 0.00 177.57 177.91 3a1d h ALA 660 N 1.24 0.70 -0.32 1.67 0.00 -0.77 0.14 119.26 121.93 3a1d h ALA 660 Ca 0.22 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 3a1d h ALA 660 Cb 0.00 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3a1d h ALA 660 CO -0.09 -0.24 0.12 0.00 0.00 0.00 0.00 179.25 179.04 3a1d h ALA 661 N 1.41 0.41 -0.62 0.00 0.00 -0.86 -0.32 119.26 119.28 3a1d h ALA 661 Ca 0.29 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 3a1d h ALA 661 Cb 0.37 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3a1d h ALA 661 CO -0.32 0.02 0.03 0.82 0.00 0.00 0.00 179.25 179.80 3a1d h ILE 662 N 0.36 1.26 -0.27 0.00 2.04 -1.01 -1.95 117.51 117.95 3a1d h ILE 662 Ca 0.10 -1.12 -0.08 0.00 1.00 0.00 0.00 64.86 64.77 3a1d h ILE 662 Cb 0.20 0.75 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3a1d h ILE 662 CO -0.01 0.41 -0.17 1.56 0.00 0.00 0.00 178.15 179.95 3a1d h GLN 663 N 0.99 0.46 -0.74 2.37 4.20 -0.56 -1.37 115.11 120.47 3a1d h GLN 663 Ca 0.18 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.69 3a1d h GLN 663 Cb 0.52 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 3a1d h GLN 663 CO 0.03 0.62 0.24 1.25 -0.67 0.00 0.00 178.83 180.30 3a1d h LEU 664 N 0.42 1.06 -0.56 1.46 5.85 -0.88 -0.80 115.31 121.87 3a1d h LEU 664 Ca 0.07 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.56 3a1d h LEU 664 Cb 0.54 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 3a1d h LEU 664 CO 0.03 0.98 0.21 0.77 -0.34 0.00 0.00 178.44 180.10 3a1d h SER 665 N 1.09 0.77 0.11 1.25 4.64 -0.53 -0.33 113.55 120.55 3a1d h SER 665 Ca 0.24 -0.18 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 3a1d h SER 665 Cb 0.29 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3a1d h SER 665 CO -0.01 0.74 -0.05 0.03 -0.87 0.00 0.00 176.83 176.66 3a1d h ARG 666 N 0.76 -0.15 -0.65 4.77 3.08 -1.10 0.30 114.38 121.40 3a1d h ARG 666 Ca 0.18 0.01 0.08 0.00 0.07 0.00 0.00 59.98 60.32 3a1d h ARG 666 Cb 0.21 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.23 3a1d h ARG 666 CO -0.01 0.07 0.31 -0.22 -1.07 0.00 0.00 179.97 179.05 3a1d h LYS 667 N -0.35 0.54 -0.45 0.04 3.64 -1.12 -1.76 116.57 117.11 3a1d h LYS 667 Ca -0.02 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.21 3a1d h LYS 667 Cb 0.29 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 3a1d h LYS 667 CO 0.03 0.36 -0.20 1.15 -2.27 0.00 0.00 179.45 178.51 3a1d h THR 668 N 0.56 1.27 0.00 1.00 2.02 -0.97 -3.20 112.91 113.59 3a1d h THR 668 Ca 0.31 -1.36 0.00 0.00 0.77 0.00 0.00 66.41 66.13 3a1d h THR 668 Cb 0.30 1.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3a1d h THR 668 CO -0.24 0.46 0.00 0.24 0.37 0.00 0.00 175.52 176.35 3a1d h MET 669 N 0.77 0.00 0.00 6.66 2.86 -0.66 -3.51 114.93 121.05 3a1d h MET 669 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3a1d h MET 669 Cb 0.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.43 3a1d h MET 669 CO 0.06 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 176.90