#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a1d s GLU 401 N 0.00 3.83 0.17 0.00 2.02 -1.26 -5.04 118.70 118.41 3a1d s GLU 401 Ca 0.00 0.35 -0.32 0.00 0.02 0.00 0.00 54.97 55.02 3a1d s GLU 401 Cb 0.00 -2.58 -0.17 0.00 0.10 0.00 0.00 34.13 31.48 3a1d s GLU 401 CO 0.00 0.25 0.97 -0.11 0.02 0.00 0.00 175.26 176.38 3a1d n LEU 402 N -0.35 0.61 -3.55 1.80 7.94 -1.26 -4.72 117.00 117.47 3a1d n LEU 402 Ca 0.01 1.15 -0.13 0.00 -1.11 0.00 0.00 56.01 55.93 3a1d n LEU 402 Cb 0.53 -1.11 -0.11 0.00 0.53 0.00 0.00 43.42 43.26 3a1d n LEU 402 CO 0.45 -1.84 -0.10 -0.83 -1.11 0.00 0.00 177.39 173.96 3a1d s GLY 403 N -0.32 -0.20 -0.39 -3.96 0.00 -1.26 -5.03 107.32 96.16 3a1d s GLY 403 Ca 0.72 0.87 -0.03 0.00 0.00 0.00 0.00 44.72 46.28 3a1d s GLY 403 CO 0.55 2.25 0.17 -0.42 0.00 0.00 0.00 173.10 175.65 3a1d s ILE 404 N 2.46 3.26 -0.49 0.90 1.01 -1.26 -1.61 121.20 125.47 3a1d s ILE 404 Ca 0.05 -1.91 -0.22 0.00 0.00 0.00 0.00 60.65 58.57 3a1d s ILE 404 Cb -0.14 -3.16 0.04 0.00 0.01 0.00 0.00 42.46 39.21 3a1d s ILE 404 CO -0.12 -0.57 0.78 -0.22 0.00 0.00 0.00 174.94 174.81 3a1d s LEU 405 N 1.17 4.39 -0.26 2.97 2.96 0.57 -4.95 118.68 125.53 3a1d s LEU 405 Ca 0.06 -0.38 -0.23 0.00 -0.22 0.00 0.00 54.13 53.35 3a1d s LEU 405 Cb -0.22 -2.78 -0.01 0.00 0.50 0.00 0.00 46.19 43.68 3a1d s LEU 405 CO -0.03 -0.98 0.76 -0.63 -1.32 0.00 0.00 176.35 174.14 3a1d s ILE 406 N 3.28 4.87 -1.16 6.68 -1.09 -1.26 -0.53 121.20 131.99 3a1d s ILE 406 Ca 0.26 1.36 0.16 0.00 -2.23 0.00 0.00 60.65 60.20 3a1d s ILE 406 Cb -0.14 -4.07 -0.09 0.00 -1.58 0.00 0.00 42.46 36.59 3a1d s ILE 406 CO 0.19 -0.08 0.78 0.29 -1.23 0.00 0.00 174.94 174.89 3a1d n LYS 407 N 5.96 1.68 -3.71 2.79 5.02 -0.34 -4.90 118.16 124.65 3a1d n LYS 407 Ca 0.03 -0.43 -0.17 0.00 -2.02 0.00 0.00 58.31 55.72 3a1d n LYS 407 Cb 0.48 -1.28 -0.17 0.00 -0.02 0.00 0.00 35.03 34.05 3a1d n LYS 407 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3a1d s ASN 408 N -2.22 0.59 0.52 4.39 3.84 -1.23 -5.02 114.94 115.81 3a1d s ASN 408 Ca 0.10 0.13 0.34 0.00 0.21 0.00 0.00 52.86 53.64 3a1d s ASN 408 Cb 0.13 -0.02 1.86 0.00 -0.55 0.00 0.00 41.25 42.66 3a1d s ASN 408 CO 0.53 -0.20 2.04 0.00 -2.79 0.00 0.00 177.10 176.69 3a1d h ALA 409 N 7.92 1.02 -0.39 1.71 0.00 -1.94 -1.00 119.26 126.58 3a1d h ALA 409 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3a1d h ALA 409 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3a1d h ALA 409 CO 0.29 -0.02 0.00 -0.25 0.00 0.00 0.00 179.25 179.27 3a1d n ASP 410 N -2.72 3.17 -0.29 0.00 8.00 -1.26 -4.59 116.55 118.86 3a1d n ASP 410 Ca -0.02 -1.92 0.02 0.00 0.71 0.00 0.00 54.79 53.58 3a1d n ASP 410 Cb 0.08 -0.25 0.16 0.00 -0.02 0.00 0.00 41.12 41.08 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 3.33 1.16 -0.01 2.24 0.00 -1.53 -2.05 119.26 122.40 3a1d h ALA 411 Ca 0.00 0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3a1d h ALA 411 Cb 0.83 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3a1d h ALA 411 CO 0.00 0.13 -0.72 -0.07 0.00 0.00 0.00 179.25 178.59 3a1d h LEU 412 N 0.82 0.11 -0.35 0.00 3.38 -1.81 -0.37 115.31 117.09 3a1d h LEU 412 Ca 0.39 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 3a1d h LEU 412 Cb 0.32 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3a1d h LEU 412 CO -0.23 0.79 0.20 -0.33 0.09 0.00 0.00 178.44 178.96 3a1d h GLU 413 N 0.06 0.49 -0.39 1.13 5.08 -1.74 -2.04 114.58 117.17 3a1d h GLU 413 Ca -0.01 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3a1d h GLU 413 Cb 1.27 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 3a1d h GLU 413 CO 0.10 0.39 0.24 0.28 -1.00 0.00 0.00 179.01 179.03 3a1d h VAL 414 N 0.45 1.12 -0.91 3.13 2.07 -1.28 -3.02 116.25 117.82 3a1d h VAL 414 Ca 0.13 -0.25 0.13 0.00 0.82 0.00 0.00 66.70 67.52 3a1d h VAL 414 Cb 0.04 0.59 -0.07 0.00 -1.52 0.00 0.00 31.29 30.33 3a1d h VAL 414 CO -0.02 0.12 0.58 0.00 0.02 0.00 0.00 177.57 178.27 3a1d h ALA 415 N 1.12 1.74 -0.10 1.67 0.00 -0.79 0.12 119.26 123.02 3a1d h ALA 415 Ca 0.14 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3a1d h ALA 415 Cb -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3a1d h ALA 415 CO -0.03 0.03 0.07 1.49 0.00 0.00 0.00 179.25 180.80 3a1d h GLU 416 N 0.78 0.09 -0.01 0.00 4.81 -1.24 -2.87 114.58 116.15 3a1d h GLU 416 Ca 0.45 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.67 3a1d h GLU 416 Cb 0.62 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.98 3a1d h GLU 416 CO -0.21 0.06 -0.63 1.63 -0.73 0.00 0.00 179.01 179.13 3a1d n LYS 417 N -4.52 0.46 -1.70 1.92 5.02 0.36 -4.98 118.16 114.72 3a1d n LYS 417 Ca -0.01 -0.34 -0.44 0.00 -2.02 0.00 0.00 58.31 55.50 3a1d n LYS 417 Cb 0.11 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 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 -0.97 0.02 0.17 -0.18 0.31 -0.93 -4.69 118.33 112.06 3a1d n VAL 418 Ca 0.07 -0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.44 3a1d n VAL 418 Cb 0.37 -1.81 -0.07 0.00 -0.91 0.00 0.00 33.84 31.42 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 3.78 0.00 -3.74 2.52 -2.24 -0.08 -4.90 114.28 109.63 3a1d n THR 419 Ca 0.17 -0.24 -0.13 0.00 -2.27 0.00 0.00 64.05 61.57 3a1d n THR 419 Cb 0.32 0.56 -0.14 0.00 -2.10 0.00 0.00 70.33 68.98 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 -2.36 -0.43 -0.17 6.98 0.00 -1.01 -0.96 121.76 123.81 3a1d s ALA 420 Ca -0.01 0.85 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 3a1d s ALA 420 Cb 0.07 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.62 3a1d s ALA 420 CO 0.39 -0.18 -0.10 0.08 0.00 0.00 0.00 175.76 175.96 3a1d s VAL 421 N 1.21 3.12 -0.21 0.00 1.01 0.93 -1.00 120.40 125.47 3a1d s VAL 421 Ca -0.09 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 3a1d s VAL 421 Cb -0.11 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.92 3a1d s VAL 421 CO -0.07 0.48 -0.11 -0.63 0.00 0.00 0.00 175.10 174.77 3a1d s ILE 422 N 0.89 2.79 -0.07 2.22 -1.09 0.45 -0.40 121.20 125.99 3a1d s ILE 422 Ca -0.02 -0.71 -0.15 0.00 -2.23 0.00 0.00 60.65 57.53 3a1d s ILE 422 Cb -0.15 -2.25 -0.05 0.00 -1.58 0.00 0.00 42.46 38.43 3a1d s ILE 422 CO 0.00 0.46 0.39 -0.36 -1.23 0.00 0.00 174.94 174.20 3a1d s PHE 423 N 1.39 3.61 0.08 3.97 0.08 -0.11 -0.46 117.98 126.54 3a1d s PHE 423 Ca 0.05 0.87 -0.30 0.00 0.12 0.00 0.00 56.93 57.66 3a1d s PHE 423 Cb -0.14 -2.35 -0.06 0.00 -0.57 0.00 0.00 43.02 39.90 3a1d s PHE 423 CO -0.07 0.45 1.17 0.34 -0.10 0.00 0.00 175.22 177.01 3a1d s ASP 424 N -0.33 7.12 0.01 1.36 2.15 0.35 -0.55 116.67 126.78 3a1d s ASP 424 Ca 0.22 2.01 -0.25 0.00 0.43 0.00 0.00 52.55 54.97 3a1d s ASP 424 Cb -0.15 -2.58 -0.15 0.00 -0.30 0.00 0.00 42.92 39.73 3a1d s ASP 424 CO 0.10 -0.43 1.15 0.50 -0.17 0.00 0.00 175.17 176.32 3a1d h LYS 425 N 6.53 -0.59 -6.63 4.34 3.64 -1.64 -3.27 116.57 118.95 3a1d h LYS 425 Ca -0.42 0.04 -0.53 0.00 -1.27 0.00 0.00 60.65 58.47 3a1d h LYS 425 Cb 1.21 0.13 0.03 0.00 -0.41 0.00 0.00 32.23 33.20 3a1d h LYS 425 CO 0.79 -0.28 0.67 0.99 -2.27 0.00 0.00 179.45 179.35 3a1d s THR 426 N -4.57 3.28 0.00 1.00 2.01 -1.26 -0.75 115.64 115.35 3a1d s THR 426 Ca -0.14 1.01 0.00 0.00 0.31 0.00 0.00 61.69 62.87 3a1d s THR 426 Cb 0.02 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.89 3a1d s THR 426 CO 0.48 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 175.15 3a1d n GLY 427 N 2.74 1.82 0.09 4.40 0.00 -1.26 -4.68 105.19 108.30 3a1d n GLY 427 Ca 0.08 -0.13 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 3a1d n GLY 427 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3a1d h THR 428 N 0.00 1.23 0.00 2.61 2.02 -1.59 -3.32 112.91 113.86 3a1d h THR 428 Ca 0.00 -1.22 -0.07 0.00 0.77 0.00 0.00 66.41 65.88 3a1d h THR 428 Cb 0.00 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.40 3a1d h THR 428 CO 0.00 0.30 -1.13 -0.07 0.37 0.00 0.00 175.52 174.98 3a1d h LEU 429 N -0.66 0.00 -9.80 2.58 3.38 -0.99 -3.47 115.31 106.34 3a1d h LEU 429 Ca -0.01 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.42 3a1d h LEU 429 Cb 0.55 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.23 3a1d h LEU 429 CO 0.02 0.26 -0.55 0.42 0.09 0.00 0.00 178.44 178.68 3a1d s THR 430 N -3.16 3.29 -0.78 0.22 -4.23 -1.20 -0.42 115.64 109.37 3a1d s THR 430 Ca -0.01 -1.67 0.25 0.00 -1.18 0.00 0.00 61.69 59.08 3a1d s THR 430 Cb 0.09 -3.02 0.25 0.00 1.34 0.00 0.00 72.50 71.16 3a1d s THR 430 CO 0.79 -0.23 1.76 0.29 -0.54 0.00 0.00 174.62 176.69 3a1d n LYS 431 N -1.13 0.15 -2.11 3.99 5.02 -0.14 -4.49 118.16 119.45 3a1d n LYS 431 Ca -0.04 0.21 -0.06 0.00 -2.02 0.00 0.00 58.31 56.40 3a1d n LYS 431 Cb 0.60 -1.71 -0.00 0.00 -0.02 0.00 0.00 35.03 33.90 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 0.92 0.13 2.45 0.72 0.00 -1.26 -4.98 105.19 103.16 3a1d n GLY 432 Ca 0.05 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.19 3a1d n GLY 432 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a1d n LYS 433 N -1.60 1.96 -2.07 1.61 4.01 -1.26 -5.10 118.16 115.71 3a1d n LYS 433 Ca -0.07 -4.12 -0.41 0.00 -0.51 0.00 0.00 58.31 53.20 3a1d n LYS 433 Cb 0.55 -1.89 -0.02 0.00 -0.51 0.00 0.00 35.03 33.16 3a1d n LYS 433 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 3a1d s PRO 434 N -2.40 4.32 0.02 1.97 0.04 -1.26 -4.66 135.00 133.02 3a1d s PRO 434 Ca 0.41 2.26 -0.05 0.00 0.04 0.00 0.00 61.00 63.66 3a1d s PRO 434 Cb 0.23 -3.07 -0.01 0.00 0.04 0.00 0.00 34.50 31.69 3a1d s PRO 434 CO -0.08 -0.26 0.09 -1.83 0.04 0.00 0.00 177.00 174.96 3a1d s GLU 435 N -1.55 0.49 0.03 4.56 -1.05 -0.37 -4.27 118.70 116.54 3a1d s GLU 435 Ca 0.51 -0.57 -0.30 0.00 -0.15 0.00 0.00 54.97 54.46 3a1d s GLU 435 Cb -0.41 0.20 -0.06 0.00 -0.44 0.00 0.00 34.13 33.41 3a1d s GLU 435 CO 0.52 -0.12 1.47 0.08 0.95 0.00 0.00 175.26 178.16 3a1d s VAL 436 N -1.85 3.50 -0.09 1.83 1.01 -1.26 -1.11 120.40 122.43 3a1d s VAL 436 Ca -0.11 0.92 0.15 0.00 0.00 0.00 0.00 61.98 62.94 3a1d s VAL 436 Cb -0.06 -3.59 -0.23 0.00 0.00 0.00 0.00 36.38 32.50 3a1d s VAL 436 CO -0.01 0.00 0.22 0.35 0.00 0.00 0.00 175.10 175.66 3a1d n THR 437 N 4.61 0.51 -3.75 3.92 -2.24 0.11 -4.94 114.28 112.50 3a1d n THR 437 Ca 0.14 -0.52 -0.13 0.00 -2.27 0.00 0.00 64.05 61.27 3a1d n THR 437 Cb 0.43 -0.22 -0.11 0.00 -2.10 0.00 0.00 70.33 68.33 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 -4.40 -0.35 -0.16 3.42 1.01 -1.17 -5.00 116.67 110.02 3a1d s ASP 438 Ca -0.07 0.67 0.01 0.00 0.71 0.00 0.00 52.55 53.88 3a1d s ASP 438 Cb 0.08 0.66 0.01 0.00 1.01 0.00 0.00 42.92 44.68 3a1d s ASP 438 CO 0.67 -0.13 -0.20 -0.76 0.21 0.00 0.00 175.17 174.96 3a1d s LEU 439 N 0.39 2.16 -0.60 1.23 1.43 -1.26 -1.31 118.68 120.72 3a1d s LEU 439 Ca -0.02 -0.62 0.05 0.00 -1.03 0.00 0.00 54.13 52.52 3a1d s LEU 439 Cb -0.04 -1.48 0.19 0.00 0.03 0.00 0.00 46.19 44.89 3a1d s LEU 439 CO -0.02 0.03 0.49 0.52 0.23 0.00 0.00 176.35 177.61 3a1d n VAL 440 N 4.39 0.82 -2.51 -1.59 0.31 0.42 -4.97 118.33 115.20 3a1d n VAL 440 Ca -0.20 -4.48 -0.41 0.00 -0.01 0.00 0.00 64.34 59.24 3a1d n VAL 440 Cb 0.51 -2.02 -0.04 0.00 -0.91 0.00 0.00 33.84 31.38 3a1d n VAL 440 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3a1d s PRO 441 N -1.19 4.61 0.52 5.55 0.04 -1.26 -0.84 135.00 142.43 3a1d s PRO 441 Ca 0.30 1.74 0.31 0.00 0.04 0.00 0.00 61.00 63.39 3a1d s PRO 441 Cb 0.02 -3.26 1.20 0.00 0.04 0.00 0.00 34.50 32.51 3a1d s PRO 441 CO -0.15 0.11 1.93 -0.07 0.04 0.00 0.00 177.00 178.86 3a1d h LEU 442 N 4.79 0.00 -2.43 -3.56 3.38 -1.19 -2.83 115.31 113.48 3a1d h LEU 442 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.52 3a1d h LEU 442 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 3a1d h LEU 442 CO 0.71 0.04 0.00 -0.46 0.09 0.00 0.00 178.44 178.82 3a1d n ASN 443 N -3.14 3.30 0.00 -0.43 0.23 -1.26 -4.99 115.26 108.96 3a1d n ASN 443 Ca 0.01 -1.94 0.00 0.00 -0.53 0.00 0.00 54.58 52.12 3a1d n ASN 443 Cb 0.35 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.78 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 1.24 2.36 3.47 4.83 0.00 -1.07 -5.01 105.19 111.01 3a1d n GLY 444 Ca 0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.24 6.48 0.14 1.61 3.68 -1.26 -4.88 116.67 120.21 3a1d s ASP 445 Ca 0.00 -1.66 -0.13 0.00 2.13 0.00 0.00 52.55 52.90 3a1d s ASP 445 Cb 0.00 -2.43 -0.01 0.00 -1.45 0.00 0.00 42.92 39.03 3a1d s ASP 445 CO 0.00 -1.24 1.55 -0.33 0.13 0.00 0.00 175.17 175.28 3a1d h GLU 446 N 9.19 0.85 -0.74 4.34 5.08 -1.94 -2.82 114.58 128.54 3a1d h GLU 446 Ca 0.04 -0.32 -0.02 0.00 -1.00 0.00 0.00 59.36 58.06 3a1d h GLU 446 Cb 1.03 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 3a1d h GLU 446 CO 1.18 0.96 0.39 -0.09 -1.00 0.00 0.00 179.01 180.44 3a1d h ARG 447 N 0.68 1.04 -0.35 2.33 2.43 -1.99 -1.45 114.38 117.06 3a1d h ARG 447 Ca 0.11 -0.13 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 3a1d h ARG 447 Cb 0.64 -0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3a1d h ARG 447 CO 0.04 0.78 -0.34 1.49 -1.51 0.00 0.00 179.97 180.44 3a1d h GLU 448 N 1.02 0.80 -0.48 0.20 4.57 -1.98 0.09 114.58 118.81 3a1d h GLU 448 Ca 0.26 -0.39 0.03 0.00 -1.18 0.00 0.00 59.36 58.08 3a1d h GLU 448 Cb 0.06 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 3a1d h GLU 448 CO -0.04 1.02 0.27 1.25 -1.18 0.00 0.00 179.01 180.32 3a1d h LEU 449 N 0.67 0.42 -0.48 1.64 5.85 -1.23 -1.23 115.31 120.95 3a1d h LEU 449 Ca 0.07 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 3a1d h LEU 449 Cb 0.89 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 3a1d h LEU 449 CO 0.08 0.30 -0.16 0.25 -0.34 0.00 0.00 178.44 178.56 3a1d h LEU 450 N 0.53 0.98 -0.29 2.25 5.85 -1.08 -2.20 115.31 121.36 3a1d h LEU 450 Ca 0.20 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 3a1d h LEU 450 Cb 0.05 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3a1d h LEU 450 CO -0.11 1.13 0.17 -0.09 -0.34 0.00 0.00 178.44 179.21 3a1d h ARG 451 N 0.81 0.39 -0.21 1.25 2.43 -0.64 -0.14 114.38 118.28 3a1d h ARG 451 Ca 0.12 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3a1d h ARG 451 Cb 0.73 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3a1d h ARG 451 CO 0.06 0.31 0.09 -0.07 -1.51 0.00 0.00 179.97 178.84 3a1d h LEU 452 N 0.36 0.28 -1.09 3.80 3.38 -1.21 -2.51 115.31 118.32 3a1d h LEU 452 Ca 0.10 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3a1d h LEU 452 Cb 0.02 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3a1d h LEU 452 CO -0.02 0.35 0.62 0.00 0.09 0.00 0.00 178.44 179.48 3a1d h ALA 453 N 0.94 1.34 -0.36 1.53 0.00 -1.19 -2.57 119.26 118.95 3a1d h ALA 453 Ca 0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3a1d h ALA 453 Cb 0.15 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3a1d h ALA 453 CO -0.01 0.61 -0.06 0.00 0.00 0.00 0.00 179.25 179.80 3a1d h ALA 454 N 1.42 1.23 0.10 0.00 0.00 -0.85 -1.63 119.26 119.52 3a1d h ALA 454 Ca 0.34 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.02 3a1d h ALA 454 Cb -0.14 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 3a1d h ALA 454 CO -0.08 0.51 -0.28 0.82 0.00 0.00 0.00 179.25 180.22 3a1d h ILE 455 N 0.56 0.38 0.00 0.00 2.04 -1.06 -2.00 117.51 117.43 3a1d h ILE 455 Ca 0.11 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.92 3a1d h ILE 455 Cb 0.44 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3a1d h ILE 455 CO 0.02 0.00 -0.24 0.00 0.00 0.00 0.00 178.15 177.93 3a1d h ALA 456 N 0.23 1.36 -0.14 1.87 0.00 -1.23 -2.76 119.26 118.60 3a1d h ALA 456 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3a1d h ALA 456 Cb 0.52 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3a1d h ALA 456 CO -0.18 0.30 0.00 0.39 0.00 0.00 0.00 179.25 179.76 3a1d n GLU 457 N -3.90 2.10 -0.33 0.00 -0.58 -0.64 -4.52 120.64 112.77 3a1d n GLU 457 Ca -0.02 -1.62 0.07 0.00 -0.42 0.00 0.00 57.16 55.17 3a1d n GLU 457 Cb 0.33 -1.47 0.26 0.00 -0.57 0.00 0.00 31.44 29.99 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 3.60 0.94 -0.08 3.49 9.65 -1.05 -2.43 114.38 128.50 3a1d h ARG 458 Ca 0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 3a1d h ARG 458 Cb 0.78 -0.21 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 3a1d h ARG 458 CO 0.00 0.62 0.00 0.54 2.80 0.00 0.00 179.97 183.93 3a1d n ARG 459 N -4.56 2.07 -3.38 0.20 5.12 -1.26 -4.95 116.66 109.91 3a1d n ARG 459 Ca 0.17 -1.57 -0.38 0.00 -1.93 0.00 0.00 57.85 54.13 3a1d n ARG 459 Cb 0.31 -1.47 -0.06 0.00 -1.16 0.00 0.00 32.46 30.09 3a1d n ARG 459 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 3a1d s SER 460 N -1.90 6.86 0.00 0.55 0.15 -0.92 -4.98 113.70 113.46 3a1d s SER 460 Ca 0.33 1.02 0.24 0.00 0.70 0.00 0.00 55.95 58.24 3a1d s SER 460 Cb 0.20 -2.29 0.59 0.00 -1.71 0.00 0.00 66.02 62.81 3a1d s SER 460 CO 0.31 0.22 1.48 1.21 1.20 0.00 0.00 173.24 177.66 3a1d n GLU 461 N 2.30 2.07 -2.00 5.44 2.13 -1.26 -4.68 120.64 124.64 3a1d n GLU 461 Ca -0.11 -1.58 -0.39 0.00 0.66 0.00 0.00 57.16 55.75 3a1d n GLU 461 Cb 0.52 -1.46 0.01 0.00 0.27 0.00 0.00 31.44 30.77 3a1d n GLU 461 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 3a1d s HIS 462 N -1.84 2.64 0.35 4.31 2.46 -1.26 -4.76 115.29 117.19 3a1d s HIS 462 Ca 0.34 1.42 0.14 0.00 0.47 0.00 0.00 55.06 57.43 3a1d s HIS 462 Cb 0.20 -3.66 1.03 0.00 -0.13 0.00 0.00 32.58 30.02 3a1d s HIS 462 CO 0.30 -2.27 1.71 -1.35 -2.47 0.00 0.00 174.74 170.67 3a1d h PRO 463 N 2.12 0.42 -0.41 2.88 0.11 -1.99 0.74 132.00 135.88 3a1d h PRO 463 Ca -0.50 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.56 3a1d h PRO 463 Cb 1.26 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 3a1d h PRO 463 CO 0.60 0.28 0.18 0.82 -0.21 0.00 0.00 178.00 179.67 3a1d h ILE 464 N 0.44 1.19 -0.48 4.15 2.04 -1.97 -1.28 117.51 121.59 3a1d h ILE 464 Ca 0.67 -0.56 -0.02 0.00 1.00 0.00 0.00 64.86 65.94 3a1d h ILE 464 Cb 1.51 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 3a1d h ILE 464 CO -0.46 0.21 0.22 0.00 0.00 0.00 0.00 178.15 178.11 3a1d h ALA 465 N 1.02 0.62 -0.38 1.87 0.00 -1.44 -1.64 119.26 119.31 3a1d h ALA 465 Ca 0.14 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.95 3a1d h ALA 465 Cb 0.16 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3a1d h ALA 465 CO -0.01 0.20 0.18 1.49 0.00 0.00 0.00 179.25 181.11 3a1d h GLU 466 N 0.64 0.37 -0.43 0.00 4.81 -0.65 0.23 114.58 119.55 3a1d h GLU 466 Ca 0.16 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3a1d h GLU 466 Cb 0.15 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3a1d h GLU 466 CO -0.02 0.24 0.26 0.00 -0.73 0.00 0.00 179.01 178.76 3a1d h ALA 467 N 1.20 0.55 -0.15 2.92 0.00 -1.10 -0.86 119.26 121.82 3a1d h ALA 467 Ca 0.16 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 3a1d h ALA 467 Cb 0.07 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3a1d h ALA 467 CO -0.12 0.04 -0.18 0.82 0.00 0.00 0.00 179.25 179.82 3a1d h ILE 468 N 0.56 1.35 -0.33 0.00 2.04 -0.92 -1.17 117.51 119.05 3a1d h ILE 468 Ca 0.15 -1.37 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 3a1d h ILE 468 Cb 0.00 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3a1d h ILE 468 CO -0.03 0.40 0.20 0.58 0.00 0.00 0.00 178.15 179.30 3a1d h VAL 469 N 0.00 1.11 -0.57 1.67 2.07 -0.98 -0.50 116.25 119.06 3a1d h VAL 469 Ca 0.02 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.35 3a1d h VAL 469 Cb 0.73 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 3a1d h VAL 469 CO 0.04 0.11 0.25 0.50 0.02 0.00 0.00 177.57 178.50 3a1d h LYS 470 N 0.42 0.46 -0.66 1.57 3.64 -1.09 0.71 116.57 121.63 3a1d h LYS 470 Ca 0.12 -0.03 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 3a1d h LYS 470 Cb 0.00 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 3a1d h LYS 470 CO -0.02 0.30 0.09 -0.22 -2.27 0.00 0.00 179.45 177.33 3a1d h LYS 471 N 0.47 1.10 -0.20 1.90 1.63 -0.97 -0.41 116.57 120.10 3a1d h LYS 471 Ca 0.27 -0.30 -0.01 0.00 -0.85 0.00 0.00 60.65 59.76 3a1d h LYS 471 Cb 0.25 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.74 3a1d h LYS 471 CO -0.23 1.01 0.10 0.00 -3.45 0.00 0.00 179.45 176.89 3a1d h ALA 472 N 1.06 0.26 -0.65 5.00 0.00 -0.60 -1.89 119.26 122.44 3a1d h ALA 472 Ca 0.20 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3a1d h ALA 472 Cb 0.46 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3a1d h ALA 472 CO 0.02 -0.20 0.43 -0.07 0.00 0.00 0.00 179.25 179.43 3a1d h LEU 473 N 0.21 0.74 -2.05 0.00 3.38 -0.70 -1.09 115.31 115.80 3a1d h LEU 473 Ca 0.07 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3a1d h LEU 473 Cb 0.09 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 3a1d h LEU 473 CO -0.01 0.53 -0.08 -0.33 0.09 0.00 0.00 178.44 178.64 3a1d h GLU 474 N 0.87 0.00 -0.58 1.13 5.08 -0.88 -2.41 114.58 117.80 3a1d h GLU 474 Ca 0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 3a1d h GLU 474 Cb -0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3a1d h GLU 474 CO -0.06 0.08 0.00 0.72 -1.00 0.00 0.00 179.01 178.75 3a1d n HIS 475 N -4.00 0.76 -2.06 4.33 8.25 -0.73 -4.95 115.22 116.82 3a1d n HIS 475 Ca -0.03 -0.38 -0.13 0.00 -0.26 0.00 0.00 57.72 56.92 3a1d n HIS 475 Cb 0.17 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.26 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 1.51 0.17 3.72 -1.41 0.00 -0.91 -4.99 105.19 103.28 3a1d n GLY 476 Ca 0.21 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.62 5.02 0.24 -0.61 1.01 -0.48 -5.02 121.20 118.74 3a1d s ILE 477 Ca 0.00 1.49 -0.30 0.00 0.00 0.00 0.00 60.65 61.84 3a1d s ILE 477 Cb 0.00 -4.06 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 3a1d s ILE 477 CO 0.00 0.25 1.32 -0.70 0.00 0.00 0.00 174.94 175.82 3a1d s GLU 478 N 0.75 4.37 -0.13 2.79 2.12 -1.26 -4.51 118.70 122.84 3a1d s GLU 478 Ca 0.38 2.12 -0.23 0.00 0.36 0.00 0.00 54.97 57.60 3a1d s GLU 478 Cb -0.18 -3.16 -0.03 0.00 0.26 0.00 0.00 34.13 31.03 3a1d s GLU 478 CO 0.19 -0.25 0.72 -0.51 -0.54 0.00 0.00 175.26 174.87 3a1d s LEU 479 N -0.52 4.23 0.78 2.70 1.43 -1.26 -4.96 118.68 121.08 3a1d s LEU 479 Ca 0.55 1.09 -0.12 0.00 -1.03 0.00 0.00 54.13 54.63 3a1d s LEU 479 Cb -0.38 -3.07 0.06 0.00 0.03 0.00 0.00 46.19 42.83 3a1d s LEU 479 CO 0.42 -0.23 1.15 -0.83 0.23 0.00 0.00 176.35 177.09 3a1d s GLY 480 N 0.99 1.60 -0.37 -3.19 0.00 -1.26 -5.05 107.32 100.04 3a1d s GLY 480 Ca 0.35 -0.59 0.01 0.00 0.00 0.00 0.00 44.72 44.49 3a1d s GLY 480 CO 0.14 -0.14 0.12 -0.54 0.00 0.00 0.00 173.10 172.69 3a1d s GLU 481 N -5.50 1.72 0.28 2.90 0.41 -1.26 -4.82 118.70 112.42 3a1d s GLU 481 Ca 0.61 -1.87 -0.29 0.00 -0.41 0.00 0.00 54.97 53.01 3a1d s GLU 481 Cb -0.11 -3.38 -0.09 0.00 -1.78 0.00 0.00 34.13 28.76 3a1d s GLU 481 CO 0.49 -1.00 1.11 -1.25 -0.49 0.00 0.00 175.26 174.12 3a1d s PRO 482 N 0.99 4.63 0.13 0.39 0.04 -1.26 -4.94 135.00 134.98 3a1d s PRO 482 Ca 0.10 1.82 -0.14 0.00 0.04 0.00 0.00 61.00 62.82 3a1d s PRO 482 Cb -0.21 -3.19 -0.02 0.00 0.04 0.00 0.00 34.50 31.13 3a1d s PRO 482 CO -0.06 0.19 1.55 1.49 0.04 0.00 0.00 177.00 180.21 3a1d h GLU 483 N 3.88 0.78 -3.56 4.56 4.81 -1.97 -3.44 114.58 119.64 3a1d h GLU 483 Ca -0.47 -0.28 -0.26 0.00 -0.13 0.00 0.00 59.36 58.23 3a1d h GLU 483 Cb 1.21 -0.06 -0.31 0.00 0.63 0.00 0.00 28.75 30.23 3a1d h GLU 483 CO 0.67 0.88 -0.70 0.15 -0.73 0.00 0.00 179.01 179.29 3a1d s LYS 484 N -4.88 0.01 -0.05 1.92 1.02 -1.26 -5.10 119.74 111.39 3a1d s LYS 484 Ca -0.13 0.14 0.04 0.00 0.02 0.00 0.00 55.97 56.04 3a1d s LYS 484 Cb 0.10 -0.12 -0.00 0.00 -0.52 0.00 0.00 37.83 37.30 3a1d s LYS 484 CO 0.81 -0.09 -0.17 0.08 -0.92 0.00 0.00 175.35 175.06 3a1d s VAL 485 N 0.59 1.46 -0.12 3.17 1.01 -1.26 -3.21 120.40 122.04 3a1d s VAL 485 Ca -0.05 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 3a1d s VAL 485 Cb -0.07 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 3a1d s VAL 485 CO -0.02 0.42 -0.06 -0.70 0.00 0.00 0.00 175.10 174.74 3a1d s GLU 486 N 0.14 3.33 -0.26 2.72 2.12 0.47 -4.95 118.70 122.27 3a1d s GLU 486 Ca -0.06 -0.55 -0.08 0.00 0.36 0.00 0.00 54.97 54.64 3a1d s GLU 486 Cb -0.13 -2.77 -0.03 0.00 0.26 0.00 0.00 34.13 31.47 3a1d s GLU 486 CO 0.03 0.38 0.09 0.08 -0.54 0.00 0.00 175.26 175.30 3a1d s VAL 487 N -0.04 4.39 -0.29 3.70 1.01 -1.26 -0.68 120.40 127.24 3a1d s VAL 487 Ca 0.00 -0.20 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 3a1d s VAL 487 Cb -0.13 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.16 3a1d s VAL 487 CO 0.03 0.29 0.07 -0.63 0.00 0.00 0.00 175.10 174.86 3a1d s ILE 488 N 1.62 3.99 -0.03 2.22 1.01 0.24 -5.00 121.20 125.25 3a1d s ILE 488 Ca 0.06 -0.61 -0.39 0.00 0.00 0.00 0.00 60.65 59.71 3a1d s ILE 488 Cb -0.15 -3.02 -0.17 0.00 0.01 0.00 0.00 42.46 39.12 3a1d s ILE 488 CO 0.04 0.13 1.36 0.00 0.00 0.00 0.00 174.94 176.48 3a1d n ALA 489 N 4.87 -1.46 -1.11 9.38 0.00 -1.26 -1.02 120.51 129.91 3a1d n ALA 489 Ca -0.15 0.51 -0.04 0.00 0.00 0.00 0.00 53.44 53.77 3a1d n ALA 489 Cb 0.49 -2.02 -0.02 0.00 0.00 0.00 0.00 19.45 17.90 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 2.65 0.56 1.40 0.00 0.00 -1.26 -4.77 105.19 103.77 3a1d n GLY 490 Ca 0.21 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.41 0.00 -0.21 1.61 1.02 -0.19 -4.79 120.64 116.68 3a1d n GLU 491 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 3a1d n GLU 491 Cb 0.31 -0.30 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 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 2.77 0.37 3.37 0.62 0.00 -0.73 -1.61 105.19 109.98 3a1d n GLY 492 Ca 0.00 -1.38 -0.26 0.00 0.00 0.00 0.00 46.02 44.37 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 -3.83 2.10 -0.10 1.61 -7.23 -0.32 -0.59 120.40 112.04 3a1d s VAL 493 Ca 0.00 -1.82 -0.02 0.00 -1.81 0.00 0.00 61.98 58.34 3a1d s VAL 493 Cb 0.00 -1.91 0.04 0.00 0.56 0.00 0.00 36.38 35.06 3a1d s VAL 493 CO 0.00 -0.07 0.01 -0.69 -0.31 0.00 0.00 175.10 174.05 3a1d s VAL 494 N -1.41 0.37 -0.11 1.32 1.01 0.15 -1.67 120.40 120.04 3a1d s VAL 494 Ca 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 61.98 62.08 3a1d s VAL 494 Cb -0.09 -0.62 0.05 0.00 0.00 0.00 0.00 36.38 35.72 3a1d s VAL 494 CO 0.07 0.14 0.07 0.00 0.00 0.00 0.00 175.10 175.38 3a1d s ALA 495 N 1.96 0.39 -1.50 5.51 0.00 -0.01 -0.39 121.76 127.72 3a1d s ALA 495 Ca 0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 51.96 51.86 3a1d s ALA 495 Cb -0.13 -0.86 0.02 0.00 0.00 0.00 0.00 23.12 22.15 3a1d s ALA 495 CO -0.06 -0.86 0.30 -0.25 0.00 0.00 0.00 175.76 174.90 3a1d n ASP 496 N 5.27 -0.14 0.00 0.00 8.00 -1.20 -0.75 116.55 127.73 3a1d n ASP 496 Ca -0.05 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.33 3a1d n ASP 496 Cb 0.49 -2.47 0.00 0.00 -0.02 0.00 0.00 41.12 39.13 3a1d n ASP 496 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a1d n GLY 497 N -2.12 2.37 3.78 0.44 0.00 -1.26 -5.04 105.19 103.35 3a1d n GLY 497 Ca -0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.43 5.35 -0.10 -0.61 1.01 0.07 -3.21 121.20 121.28 3a1d s ILE 498 Ca 0.00 0.42 -0.01 0.00 0.00 0.00 0.00 60.65 61.06 3a1d s ILE 498 Cb 0.00 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.90 3a1d s ILE 498 CO 0.00 0.49 -0.06 -0.76 0.00 0.00 0.00 174.94 174.60 3a1d s LEU 499 N -0.14 3.18 -0.19 2.97 1.43 0.63 -0.83 118.68 125.72 3a1d s LEU 499 Ca 0.15 -0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.17 3a1d s LEU 499 Cb -0.13 -1.72 0.05 0.00 0.03 0.00 0.00 46.19 44.43 3a1d s LEU 499 CO 0.04 0.29 -0.00 -0.69 0.23 0.00 0.00 176.35 176.22 3a1d s VAL 500 N -0.40 0.82 -0.83 -1.59 1.01 -0.67 -0.67 120.40 118.06 3a1d s VAL 500 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.40 3a1d s VAL 500 Cb -0.12 -1.19 0.00 0.00 0.00 0.00 0.00 36.38 35.07 3a1d s VAL 500 CO 0.02 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.65 3a1d n GLY 501 N 4.95 -0.69 0.68 4.51 0.00 -0.48 -1.17 105.19 112.99 3a1d n GLY 501 Ca -0.10 -0.45 -0.04 0.00 0.00 0.00 0.00 46.02 45.43 3a1d n GLY 501 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3a1d n ASN 502 N 0.00 0.30 0.20 1.61 0.23 -0.63 0.63 115.26 117.60 3a1d n ASN 502 Ca 0.00 -1.23 0.04 0.00 -0.53 0.00 0.00 54.58 52.85 3a1d n ASN 502 Cb 0.00 -0.09 0.43 0.00 -2.08 0.00 0.00 39.78 38.04 3a1d n ASN 502 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3a1d h LYS 503 N 0.00 0.01 -0.87 -3.83 1.57 -1.93 -2.13 116.57 109.39 3a1d h LYS 503 Ca -0.05 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3a1d h LYS 503 Cb 0.22 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 3a1d h LYS 503 CO 0.06 0.27 0.56 -0.09 -0.57 0.00 0.00 179.45 179.68 3a1d h ARG 504 N 0.01 1.17 -0.14 3.15 2.43 -1.91 -0.15 114.38 118.94 3a1d h ARG 504 Ca -0.00 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3a1d h ARG 504 Cb 0.47 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 3a1d h ARG 504 CO 0.03 0.80 0.04 1.25 -1.51 0.00 0.00 179.97 180.57 3a1d h LEU 505 N 1.19 0.21 -0.34 3.80 5.85 -1.62 -0.95 115.31 123.45 3a1d h LEU 505 Ca 0.32 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.87 3a1d h LEU 505 Cb -0.10 -0.05 -0.05 0.00 0.37 0.00 0.00 40.66 40.83 3a1d h LEU 505 CO -0.06 0.38 0.04 0.24 -0.34 0.00 0.00 178.44 178.70 3a1d h MET 506 N 0.03 0.15 -0.41 1.25 2.86 -1.20 -2.26 114.93 115.34 3a1d h MET 506 Ca 0.04 -0.01 0.04 0.00 -2.06 0.00 0.00 59.70 57.71 3a1d h MET 506 Cb 0.25 -0.03 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 3a1d h MET 506 CO 0.00 0.10 0.19 1.49 1.06 0.00 0.00 176.91 179.75 3a1d h GLU 507 N 0.15 0.38 -0.91 1.72 4.81 -0.98 0.16 114.58 119.90 3a1d h GLU 507 Ca 0.16 -0.02 0.15 0.00 -0.13 0.00 0.00 59.36 59.52 3a1d h GLU 507 Cb 0.19 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.41 3a1d h GLU 507 CO -0.23 0.25 0.58 0.22 -0.73 0.00 0.00 179.01 179.10 3a1d h ASP 508 N 0.39 0.65 -0.56 1.04 1.82 -0.75 -1.43 116.42 117.58 3a1d h ASP 508 Ca 0.18 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.87 3a1d h ASP 508 Cb 0.11 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 40.04 3a1d h ASP 508 CO -0.14 0.31 0.00 0.49 -1.61 0.00 0.00 179.24 178.29 3a1d n PHE 509 N -4.58 0.83 -2.62 0.28 3.72 -0.89 -4.98 117.46 109.22 3a1d n PHE 509 Ca 0.18 -0.52 -0.21 0.00 -0.05 0.00 0.00 57.45 56.85 3a1d n PHE 509 Cb 0.50 -0.04 0.01 0.00 -0.94 0.00 0.00 39.48 39.01 3a1d n PHE 509 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3a1d n GLY 510 N 1.09 -0.50 3.65 1.37 0.00 -0.03 -4.98 105.19 105.79 3a1d n GLY 510 Ca 0.20 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.09 4.97 0.19 1.61 1.01 0.34 -5.00 120.40 120.44 3a1d s VAL 511 Ca 0.11 1.27 -0.31 0.00 0.00 0.00 0.00 61.98 63.06 3a1d s VAL 511 Cb -0.05 -3.99 -0.10 0.00 0.00 0.00 0.00 36.38 32.25 3a1d s VAL 511 CO 0.14 0.05 1.46 0.00 0.00 0.00 0.00 175.10 176.75 3a1d s ALA 512 N 2.25 3.67 -0.39 5.51 0.00 -1.26 -4.41 121.76 127.13 3a1d s ALA 512 Ca 0.30 1.29 -0.09 0.00 0.00 0.00 0.00 51.96 53.46 3a1d s ALA 512 Cb -0.16 -3.57 0.06 0.00 0.00 0.00 0.00 23.12 19.45 3a1d s ALA 512 CO 0.10 -0.71 0.20 0.08 0.00 0.00 0.00 175.76 175.42 3a1d s VAL 513 N 0.60 4.16 0.84 0.00 1.01 -1.26 -4.65 120.40 121.11 3a1d s VAL 513 Ca 0.64 -1.21 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 3a1d s VAL 513 Cb -0.41 -3.45 0.10 0.00 0.00 0.00 0.00 36.38 32.61 3a1d s VAL 513 CO 0.36 -0.36 1.10 -0.94 0.00 0.00 0.00 175.10 175.26 3a1d s SER 514 N 1.78 4.06 0.29 3.32 1.04 -1.26 -4.81 113.70 118.12 3a1d s SER 514 Ca 0.02 1.36 -0.01 0.00 0.48 0.00 0.00 55.95 57.79 3a1d s SER 514 Cb -0.21 -2.06 0.46 0.00 0.10 0.00 0.00 66.02 64.31 3a1d s SER 514 CO 0.03 -2.25 1.94 0.78 0.98 0.00 0.00 173.24 174.72 3a1d h ASN 515 N -1.28 0.96 -0.84 7.02 2.35 -1.99 -1.07 115.58 120.73 3a1d h ASN 515 Ca -0.48 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.25 3a1d h ASN 515 Cb 1.28 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 39.39 3a1d h ASN 515 CO 0.58 0.65 0.49 -0.08 -1.65 0.00 0.00 177.43 177.42 3a1d h GLU 516 N 1.11 1.14 -0.17 0.81 4.81 -1.99 -0.99 114.58 119.29 3a1d h GLU 516 Ca 0.35 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.42 3a1d h GLU 516 Cb 0.03 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.17 3a1d h GLU 516 CO -0.11 0.81 -0.12 0.28 -0.73 0.00 0.00 179.01 179.15 3a1d h VAL 517 N 1.15 1.32 -0.85 0.32 2.07 -1.74 -2.33 116.25 116.20 3a1d h VAL 517 Ca 0.30 -1.22 0.09 0.00 0.82 0.00 0.00 66.70 66.69 3a1d h VAL 517 Cb -0.03 1.75 -0.07 0.00 -1.52 0.00 0.00 31.29 31.42 3a1d h VAL 517 CO -0.05 0.36 0.50 -0.33 0.02 0.00 0.00 177.57 178.07 3a1d h GLU 518 N 0.05 0.83 -0.64 1.57 4.39 -0.98 -0.43 114.58 119.37 3a1d h GLU 518 Ca 0.03 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.64 3a1d h GLU 518 Cb 0.62 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 29.06 3a1d h GLU 518 CO 0.03 0.55 0.22 -0.07 -1.16 0.00 0.00 179.01 178.59 3a1d h LEU 519 N 0.86 0.92 -0.80 1.33 3.38 -1.12 -0.55 115.31 119.32 3a1d h LEU 519 Ca 0.40 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.13 3a1d h LEU 519 Cb 0.31 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3a1d h LEU 519 CO -0.22 0.86 0.32 0.00 0.09 0.00 0.00 178.44 179.49 3a1d h ALA 520 N 1.09 1.04 -0.60 1.53 0.00 -0.80 -1.87 119.26 119.65 3a1d h ALA 520 Ca 0.21 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 3a1d h ALA 520 Cb 0.26 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3a1d h ALA 520 CO -0.01 0.67 0.11 -0.07 0.00 0.00 0.00 179.25 179.95 3a1d h LEU 521 N 1.17 0.94 -0.51 0.00 3.38 -0.83 -1.47 115.31 117.99 3a1d h LEU 521 Ca 0.27 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3a1d h LEU 521 Cb 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3a1d h LEU 521 CO -0.02 0.95 0.33 -0.08 0.09 0.00 0.00 178.44 179.71 3a1d h GLU 522 N 0.89 0.67 -0.19 1.13 4.81 -0.81 0.36 114.58 121.44 3a1d h GLU 522 Ca 0.18 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3a1d h GLU 522 Cb 0.40 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3a1d h GLU 522 CO 0.01 0.45 0.11 -0.22 -0.73 0.00 0.00 179.01 178.63 3a1d h LYS 523 N 0.69 0.26 -0.12 1.92 3.64 -1.12 -2.16 116.57 119.68 3a1d h LYS 523 Ca 0.18 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.42 3a1d h LYS 523 Cb -0.07 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3a1d h LYS 523 CO -0.04 0.24 -0.39 -0.07 -2.27 0.00 0.00 179.45 176.92 3a1d h LEU 524 N 0.21 0.55 -1.12 5.20 3.38 -1.11 -3.22 115.31 119.19 3a1d h LEU 524 Ca 0.07 -0.60 -0.08 0.00 0.09 0.00 0.00 57.88 57.35 3a1d h LEU 524 Cb 0.05 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3a1d h LEU 524 CO -0.01 1.06 -0.29 -0.33 0.09 0.00 0.00 178.44 178.96 3a1d h GLU 525 N 0.07 0.25 0.00 1.13 5.08 -0.96 -1.45 114.58 118.71 3a1d h GLU 525 Ca -0.01 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3a1d h GLU 525 Cb 1.01 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.24 3a1d h GLU 525 CO 0.08 0.52 0.00 0.07 -1.00 0.00 0.00 179.01 178.69 3a1d h ARG 526 N 0.23 0.00 -0.46 2.33 0.11 -1.43 -0.29 114.38 114.85 3a1d h ARG 526 Ca 0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.11 3a1d h ARG 526 Cb 0.63 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.71 3a1d h ARG 526 CO 0.05 0.00 0.00 0.39 0.10 0.00 0.00 179.97 180.51 3a1d n GLU 527 N -2.69 1.94 -3.08 0.08 1.02 -0.55 -4.89 120.64 112.46 3a1d n GLU 527 Ca 0.01 -1.09 -0.17 0.00 -0.02 0.00 0.00 57.16 55.88 3a1d n GLU 527 Cb 0.22 -1.41 0.04 0.00 -0.02 0.00 0.00 31.44 30.28 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 0.31 -0.83 -2.57 0.62 0.00 -0.13 -5.03 120.51 112.88 3a1d n ALA 528 Ca 0.10 0.26 -0.28 0.00 0.00 0.00 0.00 53.44 53.52 3a1d n ALA 528 Cb 0.36 -3.61 -0.10 0.00 0.00 0.00 0.00 19.45 16.10 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 -5.70 2.09 -0.24 0.00 1.02 -1.18 -4.84 119.74 110.89 3a1d s LYS 529 Ca 0.33 -1.16 -0.24 0.00 0.02 0.00 0.00 55.97 54.92 3a1d s LYS 529 Cb -0.15 -2.22 -0.01 0.00 -0.52 0.00 0.00 37.83 34.93 3a1d s LYS 529 CO 0.41 0.47 0.81 0.99 -0.92 0.00 0.00 175.35 177.11 3a1d s THR 530 N -1.48 4.85 -0.21 2.17 2.01 0.23 -4.27 115.64 118.94 3a1d s THR 530 Ca 0.23 1.53 -0.03 0.00 0.31 0.00 0.00 61.69 63.73 3a1d s THR 530 Cb -0.10 -4.10 -0.01 0.00 0.01 0.00 0.00 72.50 68.31 3a1d s THR 530 CO 0.14 -0.06 -0.07 0.00 -0.69 0.00 0.00 174.62 173.95 3a1d s ALA 531 N 2.80 2.75 0.08 7.40 0.00 -1.26 -0.34 121.76 133.19 3a1d s ALA 531 Ca 0.34 -1.14 0.05 0.00 0.00 0.00 0.00 51.96 51.21 3a1d s ALA 531 Cb -0.15 -1.60 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 3a1d s ALA 531 CO 0.07 -0.35 -0.05 0.14 0.00 0.00 0.00 175.76 175.57 3a1d s VAL 532 N 1.34 3.70 -0.17 0.00 -7.23 0.23 -4.83 120.40 113.43 3a1d s VAL 532 Ca 0.04 -1.04 -0.09 0.00 -1.81 0.00 0.00 61.98 59.07 3a1d s VAL 532 Cb -0.14 -2.71 -0.05 0.00 0.56 0.00 0.00 36.38 34.04 3a1d s VAL 532 CO -0.03 0.18 0.14 -0.63 -0.31 0.00 0.00 175.10 174.45 3a1d s ILE 533 N -1.20 5.43 -0.20 -0.62 1.01 0.20 -1.11 121.20 124.71 3a1d s ILE 533 Ca 0.22 0.21 -0.08 0.00 0.00 0.00 0.00 60.65 61.00 3a1d s ILE 533 Cb -0.11 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 3a1d s ILE 533 CO 0.14 0.49 0.09 -0.69 0.00 0.00 0.00 174.94 174.97 3a1d s VAL 534 N -0.03 4.90 0.08 2.92 1.01 -0.13 -1.39 120.40 127.77 3a1d s VAL 534 Ca 0.10 0.01 0.05 0.00 0.00 0.00 0.00 61.98 62.14 3a1d s VAL 534 Cb -0.11 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.00 3a1d s VAL 534 CO -0.00 0.43 -0.13 0.00 0.00 0.00 0.00 175.10 175.40 3a1d s ALA 535 N 0.60 1.11 -0.04 5.51 0.00 0.15 0.26 121.76 129.35 3a1d s ALA 535 Ca 0.05 -1.02 -0.02 0.00 0.00 0.00 0.00 51.96 50.97 3a1d s ALA 535 Cb -0.13 -0.06 0.03 0.00 0.00 0.00 0.00 23.12 22.97 3a1d s ALA 535 CO 0.01 0.11 0.07 0.50 0.00 0.00 0.00 175.76 176.45 3a1d s ARG 536 N -1.94 -0.03 -1.48 0.00 3.52 -0.21 -0.27 118.95 118.54 3a1d s ARG 536 Ca -0.01 0.34 -0.05 0.00 -0.13 0.00 0.00 55.73 55.88 3a1d s ARG 536 Cb -0.09 -0.35 0.04 0.00 -1.56 0.00 0.00 34.95 32.99 3a1d s ARG 536 CO 0.02 -0.26 0.57 0.09 -0.81 0.00 0.00 175.30 174.92 3a1d n ASN 537 N 4.81 -1.46 0.00 -2.12 5.03 -1.20 -2.41 115.26 117.92 3a1d n ASN 537 Ca -0.14 -0.97 0.00 0.00 0.87 0.00 0.00 54.58 54.34 3a1d n ASN 537 Cb 0.50 -3.15 0.00 0.00 -1.02 0.00 0.00 39.78 36.12 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 -1.80 0.86 3.18 7.41 0.00 -1.26 -5.03 105.19 108.55 3a1d n GLY 538 Ca -0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.62 3a1d n GLY 538 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3a1d s ARG 539 N -0.21 1.01 0.15 1.61 1.70 -1.01 -4.52 118.95 117.68 3a1d s ARG 539 Ca 0.00 -0.88 -0.31 0.00 -0.47 0.00 0.00 55.73 54.07 3a1d s ARG 539 Cb 0.00 -1.07 -0.09 0.00 -0.57 0.00 0.00 34.95 33.22 3a1d s ARG 539 CO 0.00 0.26 1.48 0.08 -1.08 0.00 0.00 175.30 176.04 3a1d s VAL 540 N -0.96 2.92 -0.13 4.99 1.01 -1.26 -1.04 120.40 125.91 3a1d s VAL 540 Ca 0.02 0.67 0.09 0.00 0.00 0.00 0.00 61.98 62.77 3a1d s VAL 540 Cb -0.09 -3.43 -0.23 0.00 0.00 0.00 0.00 36.38 32.63 3a1d s VAL 540 CO 0.02 0.06 0.31 -0.62 0.00 0.00 0.00 175.10 174.86 3a1d n GLU 541 N 3.80 0.67 -3.73 2.72 -0.58 0.14 -4.89 120.64 118.77 3a1d n GLU 541 Ca 0.12 0.18 0.00 0.00 -0.42 0.00 0.00 57.16 57.04 3a1d n GLU 541 Cb 0.40 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.61 3a1d n GLU 541 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3a1d n GLY 542 N 1.79 -1.09 3.11 0.62 0.00 -1.04 -0.58 105.19 108.00 3a1d n GLY 542 Ca -0.28 -1.07 -0.23 0.00 0.00 0.00 0.00 46.02 44.43 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 1.19 -0.12 -0.61 1.01 -0.02 -0.95 121.20 118.70 3a1d s ILE 543 Ca 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.05 3a1d s ILE 543 Cb 0.00 -1.00 -0.01 0.00 0.01 0.00 0.00 42.46 41.46 3a1d s ILE 543 CO 0.00 0.34 -0.19 -0.63 0.00 0.00 0.00 174.94 174.46 3a1d s ILE 544 N -0.21 2.53 -0.09 2.92 1.01 -0.27 -0.44 121.20 126.65 3a1d s ILE 544 Ca 0.03 -0.85 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 3a1d s ILE 544 Cb -0.07 -2.02 -0.03 0.00 0.01 0.00 0.00 42.46 40.35 3a1d s ILE 544 CO 0.00 0.54 -0.03 0.00 0.00 0.00 0.00 174.94 175.45 3a1d s ALA 545 N 0.37 3.13 -0.01 9.38 0.00 -0.43 -0.60 121.76 133.60 3a1d s ALA 545 Ca -0.15 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.02 3a1d s ALA 545 Cb -0.17 -1.41 -0.01 0.00 0.00 0.00 0.00 23.12 21.53 3a1d s ALA 545 CO 0.07 0.52 -0.15 0.08 0.00 0.00 0.00 175.76 176.28 3a1d s VAL 546 N -0.65 1.22 0.01 0.00 1.01 0.54 -0.72 120.40 121.81 3a1d s VAL 546 Ca 0.10 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.44 3a1d s VAL 546 Cb -0.12 -1.02 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 3a1d s VAL 546 CO 0.02 0.33 -0.08 -0.55 0.00 0.00 0.00 175.10 174.82 3a1d s SER 547 N -0.39 0.97 -0.13 3.32 0.15 -0.26 -0.60 113.70 116.75 3a1d s SER 547 Ca 0.06 -0.27 0.02 0.00 0.70 0.00 0.00 55.95 56.46 3a1d s SER 547 Cb -0.06 -0.07 0.01 0.00 -1.71 0.00 0.00 66.02 64.19 3a1d s SER 547 CO -0.01 0.02 -0.19 -0.62 1.20 0.00 0.00 173.24 173.64 3a1d s ASP 548 N -0.61 2.85 0.30 5.45 2.15 -1.26 -1.24 116.67 124.32 3a1d s ASP 548 Ca -0.00 -0.54 -0.29 0.00 0.43 0.00 0.00 52.55 52.15 3a1d s ASP 548 Cb -0.05 -1.31 -0.10 0.00 -0.30 0.00 0.00 42.92 41.16 3a1d s ASP 548 CO 0.00 0.04 1.33 -0.89 -0.17 0.00 0.00 175.17 175.49 3a1d s THR 549 N 0.94 2.75 0.37 1.71 2.01 -1.26 -4.73 115.64 117.43 3a1d s THR 549 Ca -0.05 0.71 -0.28 0.00 0.31 0.00 0.00 61.69 62.38 3a1d s THR 549 Cb -0.15 -3.45 -0.11 0.00 0.01 0.00 0.00 72.50 68.79 3a1d s THR 549 CO -0.03 0.15 1.42 0.18 -0.69 0.00 0.00 174.62 175.65 3a1d n LEU 550 N 1.27 4.41 -4.72 4.42 4.77 -1.26 -0.96 117.00 124.93 3a1d n LEU 550 Ca 0.02 1.22 -0.39 0.00 -0.03 0.00 0.00 56.01 56.82 3a1d n LEU 550 Cb 0.42 -1.58 0.03 0.00 -2.33 0.00 0.00 43.42 39.96 3a1d n LEU 550 CO 0.59 -0.07 0.91 0.29 -1.33 0.00 0.00 177.39 177.79 3a1d n LYS 551 N 0.44 1.72 0.23 3.23 5.02 0.44 -4.74 118.16 124.50 3a1d n LYS 551 Ca 0.03 0.63 0.12 0.00 -2.02 0.00 0.00 58.31 57.06 3a1d n LYS 551 Cb 0.38 -2.47 0.73 0.00 -0.02 0.00 0.00 35.03 33.65 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 1.59 0.00 0.00 1.97 5.08 -1.92 -1.88 114.58 119.42 3a1d h GLU 552 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 3a1d h GLU 552 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 3a1d h GLU 552 CO 0.57 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.45 3a1d n SER 553 N -4.28 0.50 0.27 1.42 3.41 -1.26 -4.23 113.62 109.46 3a1d n SER 553 Ca -0.01 0.56 -0.16 0.00 -0.26 0.00 0.00 58.87 59.01 3a1d n SER 553 Cb 0.19 -0.69 -0.08 0.00 -0.26 0.00 0.00 64.21 63.36 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 2.61 -0.67 0.12 7.33 0.00 -1.65 -1.90 119.26 125.11 3a1d h ALA 554 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3a1d h ALA 554 Cb 0.58 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3a1d h ALA 554 CO 0.00 -0.82 -0.11 -0.22 0.00 0.00 0.00 179.25 178.10 3a1d h LYS 555 N -0.79 -0.24 -0.45 0.00 3.64 -1.76 -1.38 116.57 115.58 3a1d h LYS 555 Ca -0.07 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3a1d h LYS 555 Cb 0.57 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 3a1d h LYS 555 CO 0.11 -0.16 0.25 -1.00 -2.27 0.00 0.00 179.45 176.39 3a1d h PRO 556 N -0.25 0.62 -0.11 1.90 0.13 -1.78 -0.51 132.00 131.99 3a1d h PRO 556 Ca 0.00 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 65.05 3a1d h PRO 556 Cb 0.24 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 31.23 3a1d h PRO 556 CO -0.02 0.45 -0.03 0.00 -0.23 0.00 0.00 178.00 178.17 3a1d h ALA 557 N 1.65 0.15 -0.46 -0.56 0.00 -1.15 -1.05 119.26 117.86 3a1d h ALA 557 Ca 0.16 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.88 3a1d h ALA 557 Cb 0.01 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3a1d h ALA 557 CO -0.03 -0.10 0.25 0.28 0.00 0.00 0.00 179.25 179.65 3a1d h VAL 558 N -0.10 0.99 -0.61 0.00 2.07 -1.08 -0.91 116.25 116.61 3a1d h VAL 558 Ca 0.03 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.40 3a1d h VAL 558 Cb 0.45 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 3a1d h VAL 558 CO 0.01 0.09 0.38 -0.61 0.02 0.00 0.00 177.57 177.46 3a1d h GLN 559 N 0.49 0.74 -0.37 1.57 4.15 -0.98 -1.21 115.11 119.50 3a1d h GLN 559 Ca 0.19 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 3a1d h GLN 559 Cb 0.07 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 3a1d h GLN 559 CO -0.12 0.49 0.06 0.93 -1.93 0.00 0.00 178.83 178.25 3a1d h GLU 560 N 0.76 0.61 -0.55 1.69 5.08 -0.76 -0.92 114.58 120.48 3a1d h GLU 560 Ca 0.24 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.46 3a1d h GLU 560 Cb -0.01 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.13 3a1d h GLU 560 CO -0.09 0.68 0.32 -0.07 -1.00 0.00 0.00 179.01 178.86 3a1d h LEU 561 N 0.45 0.52 -0.84 1.33 3.38 -0.97 -1.93 115.31 117.24 3a1d h LEU 561 Ca 0.11 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3a1d h LEU 561 Cb 0.37 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 3a1d h LEU 561 CO 0.01 0.36 0.43 0.11 0.09 0.00 0.00 178.44 179.44 3a1d h LYS 562 N 0.64 1.19 -0.51 1.13 1.57 -0.99 -1.52 116.57 118.08 3a1d h LYS 562 Ca 0.23 -0.16 0.05 0.00 -1.87 0.00 0.00 60.65 58.90 3a1d h LYS 562 Cb 0.05 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 3a1d h LYS 562 CO -0.11 0.89 0.34 0.00 -0.57 0.00 0.00 179.45 180.00 3a1d h ARG 563 N 1.18 0.49 0.00 3.15 3.08 -0.85 -0.27 114.38 121.16 3a1d h ARG 563 Ca 0.29 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.31 3a1d h ARG 563 Cb 0.07 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3a1d h ARG 563 CO -0.04 0.33 0.00 -1.33 -1.07 0.00 0.00 179.97 177.85 3a1d n MET 564 N -4.47 0.71 -0.84 0.04 2.81 -0.63 -4.87 117.12 109.87 3a1d n MET 564 Ca 0.06 0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.96 3a1d n MET 564 Cb 0.20 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.21 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 0.74 0.49 3.79 3.03 0.00 -0.11 -5.05 105.19 108.07 3a1d n GLY 565 Ca 0.18 -0.91 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.00 5.43 0.09 -0.61 1.01 -0.85 -4.98 121.20 119.29 3a1d s ILE 566 Ca 0.00 0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.57 3a1d s ILE 566 Cb 0.00 -3.46 -0.07 0.00 0.01 0.00 0.00 42.46 38.95 3a1d s ILE 566 CO 0.00 0.51 1.27 -0.54 0.00 0.00 0.00 174.94 176.17 3a1d s LYS 567 N -0.17 4.39 -0.12 2.79 1.02 -0.14 -3.85 119.74 123.66 3a1d s LYS 567 Ca 0.11 1.88 -0.00 0.00 0.02 0.00 0.00 55.97 57.99 3a1d s LYS 567 Cb -0.12 -3.31 -0.02 0.00 -0.52 0.00 0.00 37.83 33.87 3a1d s LYS 567 CO 0.01 -0.31 -0.12 0.08 -0.92 0.00 0.00 175.35 174.08 3a1d s VAL 568 N 1.01 3.15 0.30 3.17 1.01 -1.26 -0.05 120.40 127.74 3a1d s VAL 568 Ca 0.60 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.98 3a1d s VAL 568 Cb -0.32 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3a1d s VAL 568 CO 0.30 0.53 0.17 -0.83 0.00 0.00 0.00 175.10 175.27 3a1d s GLY 569 N 0.21 2.06 0.00 4.51 0.00 0.47 0.52 107.32 115.09 3a1d s GLY 569 Ca -0.07 -1.78 0.00 0.00 0.00 0.00 0.00 44.72 42.87 3a1d s GLY 569 CO 0.05 -1.56 -0.01 -0.29 0.00 0.00 0.00 173.10 171.28 3a1d s MET 570 N -3.80 0.10 -0.03 2.90 -2.45 -0.90 -0.93 119.30 114.18 3a1d s MET 570 Ca 0.36 -0.11 0.06 0.00 -1.25 0.00 0.00 55.69 54.76 3a1d s MET 570 Cb 0.05 -0.04 -0.02 0.00 1.25 0.00 0.00 34.83 36.06 3a1d s MET 570 CO 0.18 0.01 -0.22 -1.50 1.05 0.00 0.00 175.02 174.54 3a1d s ILE 571 N -0.21 2.37 0.01 10.11 2.07 0.29 -1.22 121.20 134.61 3a1d s ILE 571 Ca -0.02 -0.99 -0.20 0.00 -1.41 0.00 0.00 60.65 58.03 3a1d s ILE 571 Cb -0.02 -1.86 0.04 0.00 0.13 0.00 0.00 42.46 40.76 3a1d s ILE 571 CO -0.00 0.58 0.45 0.28 -1.91 0.00 0.00 174.94 174.35 3a1d s THR 572 N -0.61 0.04 -1.28 4.00 -1.32 -0.40 -1.61 115.64 114.47 3a1d s THR 572 Ca 0.09 -0.34 0.28 0.00 -1.21 0.00 0.00 61.69 60.52 3a1d s THR 572 Cb -0.10 -0.87 0.28 0.00 -1.51 0.00 0.00 72.50 70.30 3a1d s THR 572 CO -0.00 -0.19 1.78 0.61 -2.21 0.00 0.00 174.62 174.61 3a1d n GLY 573 N 0.79 -1.20 3.75 6.08 0.00 -1.25 -1.83 105.19 111.52 3a1d n GLY 573 Ca -0.19 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.31 3a1d n GLY 573 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3a1d s ASP 574 N -2.77 3.36 0.56 1.61 -1.08 -1.26 -3.90 116.67 113.21 3a1d s ASP 574 Ca 0.20 1.14 -0.19 0.00 -0.52 0.00 0.00 52.55 53.18 3a1d s ASP 574 Cb 0.19 -1.78 -0.05 0.00 -1.46 0.00 0.00 42.92 39.82 3a1d s ASP 574 CO 0.54 -2.66 1.18 0.54 0.52 0.00 0.00 175.17 175.29 3a1d s ASN 575 N -3.76 5.46 0.22 -0.34 2.20 -1.26 -1.08 114.94 116.38 3a1d s ASN 575 Ca 0.64 2.31 -0.08 0.00 -0.94 0.00 0.00 52.86 54.78 3a1d s ASN 575 Cb -0.16 -2.59 0.31 0.00 -2.00 0.00 0.00 41.25 36.80 3a1d s ASN 575 CO 0.55 -1.41 1.77 -0.50 -2.94 0.00 0.00 177.10 174.58 3a1d h TRP 576 N 1.08 0.57 -0.15 1.54 4.06 -1.94 -0.95 115.95 120.17 3a1d h TRP 576 Ca -0.50 0.03 -0.00 0.00 2.06 0.00 0.00 58.89 60.47 3a1d h TRP 576 Cb 1.28 -0.16 -0.01 0.00 -1.00 0.00 0.00 29.16 29.28 3a1d h TRP 576 CO 0.49 0.20 0.07 -0.09 -3.56 0.00 0.00 178.44 175.55 3a1d h ARG 577 N 0.56 0.21 -0.71 0.49 2.43 -1.92 0.21 114.38 115.65 3a1d h ARG 577 Ca 0.33 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.42 3a1d h ARG 577 Cb 0.35 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 3a1d h ARG 577 CO -0.27 0.25 0.25 1.03 -1.51 0.00 0.00 179.97 179.72 3a1d h SER 578 N 0.12 1.01 -0.78 -3.80 0.87 -1.50 -1.77 113.55 107.70 3a1d h SER 578 Ca 0.05 -0.19 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 3a1d h SER 578 Cb 0.11 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.77 3a1d h SER 578 CO -0.01 0.93 0.39 0.00 -0.53 0.00 0.00 176.83 177.61 3a1d h ALA 579 N 1.12 1.19 0.00 6.23 0.00 -0.73 -1.93 119.26 125.14 3a1d h ALA 579 Ca 0.23 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3a1d h ALA 579 Cb 0.26 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3a1d h ALA 579 CO -0.01 0.62 -0.24 0.93 0.00 0.00 0.00 179.25 180.55 3a1d h GLU 580 N 1.12 0.00 -0.39 0.00 4.39 -0.45 -0.95 114.58 118.30 3a1d h GLU 580 Ca 0.27 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.91 3a1d h GLU 580 Cb 0.10 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 3a1d h GLU 580 CO -0.04 0.24 -0.01 0.00 -1.16 0.00 0.00 179.01 178.04 3a1d h ALA 581 N 1.76 0.53 -0.62 3.43 0.00 -0.70 -1.47 119.26 122.20 3a1d h ALA 581 Ca -0.00 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3a1d h ALA 581 Cb 0.92 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3a1d h ALA 581 CO 0.03 0.32 0.40 0.82 0.00 0.00 0.00 179.25 180.83 3a1d h ILE 582 N 0.53 1.13 -0.98 0.00 1.08 -1.09 -1.91 117.51 116.28 3a1d h ILE 582 Ca 0.11 -0.28 0.09 0.00 -0.39 0.00 0.00 64.86 64.39 3a1d h ILE 582 Cb 0.50 0.25 -0.07 0.00 -3.07 0.00 0.00 36.82 34.42 3a1d h ILE 582 CO 0.02 0.15 0.62 -1.28 -0.69 0.00 0.00 178.15 176.97 3a1d h SER 583 N 0.81 0.96 -0.02 1.72 0.87 -1.05 -0.55 113.55 116.28 3a1d h SER 583 Ca 0.23 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 3a1d h SER 583 Cb -0.06 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 61.73 3a1d h SER 583 CO -0.07 0.57 0.01 -0.09 -0.53 0.00 0.00 176.83 176.73 3a1d h ARG 584 N 1.07 0.03 -0.81 2.24 2.43 -0.88 0.11 114.38 118.58 3a1d h ARG 584 Ca 0.45 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.65 3a1d h ARG 584 Cb 0.29 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.78 3a1d h ARG 584 CO -0.21 0.15 0.53 0.93 -1.51 0.00 0.00 179.97 179.86 3a1d h GLU 585 N -0.09 0.94 -0.02 0.20 5.08 -0.52 -2.59 114.58 117.58 3a1d h GLU 585 Ca 0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3a1d h GLU 585 Cb 0.13 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3a1d h GLU 585 CO -0.00 0.62 -0.40 1.28 -1.00 0.00 0.00 179.01 179.51 3a1d n LEU 586 N -4.46 2.05 -3.95 1.33 4.77 -0.31 -4.98 117.00 111.46 3a1d n LEU 586 Ca 0.11 -0.74 -0.33 0.00 -0.03 0.00 0.00 56.01 55.02 3a1d n LEU 586 Cb 0.14 -0.01 -0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3a1d n LEU 586 CO 0.34 0.38 -0.20 -3.20 -1.33 0.00 0.00 177.39 173.38 3a1d n ASN 587 N 0.08 -2.64 -4.77 -1.43 4.05 0.33 -4.82 115.26 106.06 3a1d n ASN 587 Ca 0.10 -1.12 -0.34 0.00 0.45 0.00 0.00 54.58 53.67 3a1d n ASN 587 Cb 0.47 -2.62 0.03 0.00 1.23 0.00 0.00 39.78 38.89 3a1d n ASN 587 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3a1d s LEU 588 N -7.00 3.59 0.18 1.20 1.43 -0.77 -4.98 118.68 112.33 3a1d s LEU 588 Ca 0.27 2.15 0.19 0.00 -1.03 0.00 0.00 54.13 55.71 3a1d s LEU 588 Cb -0.12 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.51 3a1d s LEU 588 CO 0.92 -1.47 1.07 0.44 0.23 0.00 0.00 176.35 177.54 3a1d h ASP 589 N 0.68 0.00 -3.36 2.29 5.19 -0.29 -3.47 116.42 117.45 3a1d h ASP 589 Ca -0.49 0.00 -0.19 0.00 -0.62 0.00 0.00 57.03 55.74 3a1d h ASP 589 Cb 1.26 0.00 -0.29 0.00 0.18 0.00 0.00 39.33 40.48 3a1d h ASP 589 CO 0.55 0.32 -0.46 -0.76 -3.12 0.00 0.00 179.24 175.77 3a1d s LEU 590 N -5.79 0.39 -0.07 1.55 1.43 -1.14 -4.99 118.68 110.07 3a1d s LEU 590 Ca -0.00 0.56 0.04 0.00 -1.03 0.00 0.00 54.13 53.70 3a1d s LEU 590 Cb 0.08 0.81 0.00 0.00 0.03 0.00 0.00 46.19 47.11 3a1d s LEU 590 CO 0.78 -0.16 -0.19 -0.69 0.23 0.00 0.00 176.35 176.32 3a1d s VAL 591 N 1.22 1.61 -0.26 -1.59 1.01 -1.26 -2.12 120.40 119.00 3a1d s VAL 591 Ca -0.09 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.11 3a1d s VAL 591 Cb -0.10 -1.40 0.07 0.00 0.00 0.00 0.00 36.38 34.96 3a1d s VAL 591 CO -0.09 0.46 0.00 -0.63 0.00 0.00 0.00 175.10 174.85 3a1d s ILE 592 N 0.27 1.38 0.43 2.22 1.01 -0.36 -4.98 121.20 121.16 3a1d s ILE 592 Ca -0.11 -1.34 0.06 0.00 0.00 0.00 0.00 60.65 59.26 3a1d s ILE 592 Cb -0.15 -1.81 -0.06 0.00 0.01 0.00 0.00 42.46 40.45 3a1d s ILE 592 CO 0.05 -0.31 0.06 0.00 0.00 0.00 0.00 174.94 174.74 3a1d s ALA 593 N 1.43 3.43 -1.42 9.38 0.00 -1.26 -1.27 121.76 132.04 3a1d s ALA 593 Ca 0.00 -1.99 -0.05 0.00 0.00 0.00 0.00 51.96 49.93 3a1d s ALA 593 Cb -0.18 -0.01 0.02 0.00 0.00 0.00 0.00 23.12 22.95 3a1d s ALA 593 CO -0.11 -0.13 0.41 0.39 0.00 0.00 0.00 175.76 176.33 3a1d n GLU 594 N -1.09 -3.68 -3.01 0.00 1.02 -0.24 -4.91 120.64 108.72 3a1d n GLU 594 Ca -0.06 0.74 -0.40 0.00 -0.02 0.00 0.00 57.16 57.42 3a1d n GLU 594 Cb 0.66 -5.50 -0.05 0.00 -0.02 0.00 0.00 31.44 26.54 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 -3.00 5.02 0.51 2.62 1.01 -0.79 -4.93 120.40 120.83 3a1d s VAL 595 Ca 0.25 1.48 -0.22 0.00 0.00 0.00 0.00 61.98 63.50 3a1d s VAL 595 Cb -0.12 -4.06 -0.06 0.00 0.00 0.00 0.00 36.38 32.14 3a1d s VAL 595 CO 0.31 0.21 1.21 -0.76 0.00 0.00 0.00 175.10 176.07 3a1d s LEU 596 N 1.06 3.89 0.22 3.92 1.43 -1.26 -3.83 118.68 124.11 3a1d s LEU 596 Ca 0.38 2.41 -0.12 0.00 -1.03 0.00 0.00 54.13 55.77 3a1d s LEU 596 Cb -0.18 -4.35 0.29 0.00 0.03 0.00 0.00 46.19 41.99 3a1d s LEU 596 CO 0.17 -1.21 1.62 -0.65 0.23 0.00 0.00 176.35 176.51 3a1d h PRO 597 N 1.63 0.02 0.00 1.29 0.11 -1.97 0.93 132.00 134.00 3a1d h PRO 597 Ca -0.50 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3a1d h PRO 597 Cb 1.27 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3a1d h PRO 597 CO 0.58 0.01 0.00 1.12 -0.21 0.00 0.00 178.00 179.50 3a1d h HIS 598 N 0.02 0.00 -0.00 0.65 2.07 -2.00 -2.81 115.15 113.07 3a1d h HIS 598 Ca 0.34 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.86 3a1d h HIS 598 Cb 0.54 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.52 3a1d h HIS 598 CO -0.53 0.00 -0.39 1.04 -3.07 0.00 0.00 177.93 174.97 3a1d n GLN 599 N -2.63 0.27 -0.19 5.12 1.13 0.31 -4.34 117.38 117.05 3a1d n GLN 599 Ca 0.01 -0.15 -0.06 0.00 -1.94 0.00 0.00 57.00 54.85 3a1d n GLN 599 Cb 0.22 -1.50 0.03 0.00 0.11 0.00 0.00 30.24 29.11 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 0.37 0.69 -0.28 -1.09 1.57 -1.42 -1.21 116.57 115.20 3a1d h LYS 600 Ca 0.00 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 3a1d h LYS 600 Cb 0.50 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 3a1d h LYS 600 CO 0.00 0.45 -0.10 0.66 -0.57 0.00 0.00 179.45 179.89 3a1d h SER 601 N 0.71 0.45 -0.21 0.86 4.64 -1.81 -2.02 113.55 116.16 3a1d h SER 601 Ca 0.21 -0.11 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 3a1d h SER 601 Cb -0.04 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 61.91 3a1d h SER 601 CO -0.06 0.59 -0.12 -0.33 -0.87 0.00 0.00 176.83 176.03 3a1d h GLU 602 N 0.43 0.60 -0.24 4.77 4.39 -1.62 -0.93 114.58 121.98 3a1d h GLU 602 Ca 0.08 -0.18 -0.15 0.00 0.34 0.00 0.00 59.36 59.45 3a1d h GLU 602 Cb 0.45 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 3a1d h GLU 602 CO 0.02 0.71 -0.48 0.93 -1.16 0.00 0.00 179.01 179.04 3a1d h GLU 603 N 0.55 0.64 -0.24 2.33 4.39 -0.76 -0.83 114.58 120.66 3a1d h GLU 603 Ca 0.10 -0.37 0.03 0.00 0.34 0.00 0.00 59.36 59.46 3a1d h GLU 603 Cb 0.53 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 3a1d h GLU 603 CO 0.03 0.98 0.07 0.28 -1.16 0.00 0.00 179.01 179.21 3a1d h VAL 604 N 0.51 0.91 -0.44 3.13 2.07 -1.16 -1.55 116.25 119.71 3a1d h VAL 604 Ca 0.03 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.54 3a1d h VAL 604 Cb 1.02 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 3a1d h VAL 604 CO 0.10 0.03 0.17 0.50 0.02 0.00 0.00 177.57 178.39 3a1d h LYS 605 N 0.17 0.34 -0.32 1.57 3.64 -0.88 -0.58 116.57 120.51 3a1d h LYS 605 Ca 0.11 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.52 3a1d h LYS 605 Cb 0.09 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.79 3a1d h LYS 605 CO -0.13 0.22 0.00 0.87 -2.27 0.00 0.00 179.45 178.15 3a1d h LYS 606 N 0.35 0.09 -0.40 1.90 1.57 -0.97 -2.37 116.57 116.75 3a1d h LYS 606 Ca 0.21 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.96 3a1d h LYS 606 Cb 0.19 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3a1d h LYS 606 CO -0.20 0.06 0.16 1.25 -0.57 0.00 0.00 179.45 180.16 3a1d h LEU 607 N 0.10 0.50 -1.27 2.94 5.85 -0.60 -2.39 115.31 120.43 3a1d h LEU 607 Ca 0.15 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.83 3a1d h LEU 607 Cb 0.20 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.11 3a1d h LEU 607 CO -0.25 0.45 0.00 1.56 -0.34 0.00 0.00 178.44 179.86 3a1d h GLN 608 N 0.55 0.00 -0.33 1.25 4.20 -0.58 -1.29 115.11 118.91 3a1d h GLN 608 Ca 0.14 0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.94 3a1d h GLN 608 Cb 0.10 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3a1d h GLN 608 CO -0.02 0.00 0.25 0.00 -0.67 0.00 0.00 178.83 178.39 3a1d h ALA 609 N 2.11 2.26 0.00 3.87 0.00 -1.35 -3.28 119.26 122.88 3a1d h ALA 609 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3a1d h ALA 609 Cb 0.22 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3a1d h ALA 609 CO 0.00 -0.42 -0.11 0.36 0.00 0.00 0.00 179.25 179.08 3a1d n LYS 610 N -4.35 4.47 -4.40 0.00 2.85 -0.92 -5.09 118.16 110.73 3a1d n LYS 610 Ca 0.05 0.00 -0.21 0.00 -1.05 0.00 0.00 58.31 57.10 3a1d n LYS 610 Cb 0.42 -0.43 -0.10 0.00 -0.65 0.00 0.00 35.03 34.27 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 -0.82 1.48 -0.35 -1.58 0.41 -0.54 -5.11 118.70 112.20 3a1d s GLU 611 Ca 0.00 -1.67 -0.14 0.00 -0.41 0.00 0.00 54.97 52.76 3a1d s GLU 611 Cb 0.00 -1.37 -0.01 0.00 -1.78 0.00 0.00 34.13 30.96 3a1d s GLU 611 CO 0.00 0.23 0.27 0.08 -0.49 0.00 0.00 175.26 175.36 3a1d s VAL 612 N -2.79 5.26 -0.18 2.63 1.01 -1.26 -4.26 120.40 120.80 3a1d s VAL 612 Ca 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 3a1d s VAL 612 Cb -0.02 -3.76 -0.02 0.00 0.00 0.00 0.00 36.38 32.58 3a1d s VAL 612 CO 0.10 -0.06 -0.05 -0.69 0.00 0.00 0.00 175.10 174.40 3a1d s VAL 613 N 1.78 3.56 -0.20 2.92 1.01 -1.26 -0.90 120.40 127.31 3a1d s VAL 613 Ca 0.07 -0.46 -0.12 0.00 0.00 0.00 0.00 61.98 61.47 3a1d s VAL 613 Cb -0.17 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 3a1d s VAL 613 CO 0.11 0.47 0.24 0.00 0.00 0.00 0.00 175.10 175.91 3a1d s ALA 614 N 0.81 3.61 -0.17 5.51 0.00 -0.17 -1.13 121.76 130.23 3a1d s ALA 614 Ca -0.02 -0.64 -0.05 0.00 0.00 0.00 0.00 51.96 51.26 3a1d s ALA 614 Cb -0.15 -2.37 -0.03 0.00 0.00 0.00 0.00 23.12 20.58 3a1d s ALA 614 CO 0.02 -0.04 -0.01 0.12 0.00 0.00 0.00 175.76 175.84 3a1d s PHE 615 N 0.76 3.07 -0.24 0.00 5.36 -0.11 -0.41 117.98 126.41 3a1d s PHE 615 Ca 0.13 -0.24 -0.05 0.00 -0.96 0.00 0.00 56.93 55.81 3a1d s PHE 615 Cb -0.13 -2.00 -0.01 0.00 -0.34 0.00 0.00 43.02 40.55 3a1d s PHE 615 CO 0.03 -0.02 -0.01 0.08 -1.46 0.00 0.00 175.22 173.85 3a1d s VAL 616 N 0.43 3.56 0.00 3.12 1.01 0.39 -0.57 120.40 128.34 3a1d s VAL 616 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3a1d s VAL 616 Cb -0.14 -2.67 0.00 0.00 0.00 0.00 0.00 36.38 33.57 3a1d s VAL 616 CO 0.02 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.08 3a1d n GLY 617 N 4.82 3.75 3.80 4.51 0.00 -0.32 -0.49 105.19 121.26 3a1d n GLY 617 Ca -0.17 -1.11 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 3a1d n GLY 617 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3a1d s ASP 618 N 0.99 6.36 0.00 1.61 3.84 -1.26 -0.87 116.67 127.34 3a1d s ASP 618 Ca 0.00 0.42 0.00 0.00 -0.00 0.00 0.00 52.55 52.97 3a1d s ASP 618 Cb 0.00 -2.10 0.00 0.00 -1.38 0.00 0.00 42.92 39.44 3a1d s ASP 618 CO 0.00 0.28 0.38 0.61 -0.00 0.00 0.00 175.17 176.44 3a1d n GLY 619 N 2.72 0.52 0.88 2.12 0.00 -1.26 -3.38 105.19 106.79 3a1d n GLY 619 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 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 0.02 0.66 0.94 -0.61 2.08 -1.26 -0.45 119.36 120.73 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 0.11 -1.62 0.16 0.00 -0.75 0.00 0.00 39.64 37.55 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 -3.37 0.61 -1.18 4.38 3.02 -1.23 -4.27 115.26 113.21 3a1d n ASN 621 Ca -0.06 -0.36 0.03 0.00 -0.03 0.00 0.00 54.58 54.16 3a1d n ASN 621 Cb 0.36 0.42 0.12 0.00 -0.61 0.00 0.00 39.78 40.07 3a1d n ASN 621 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3a1d n ASP 622 N -1.57 1.70 -0.27 6.41 5.68 -1.22 -4.86 116.55 122.42 3a1d n ASP 622 Ca 0.05 -3.08 0.07 0.00 -0.50 0.00 0.00 54.79 51.33 3a1d n ASP 622 Cb 0.35 -0.43 0.22 0.00 -1.14 0.00 0.00 41.12 40.12 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 1.19 1.12 -0.71 2.12 0.00 -1.78 -1.67 119.26 119.54 3a1d h ALA 623 Ca -0.06 0.15 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3a1d h ALA 623 Cb 1.39 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 3a1d h ALA 623 CO 0.11 -0.29 0.43 -1.35 0.00 0.00 0.00 179.25 178.15 3a1d h PRO 624 N 0.37 0.81 -0.59 0.00 0.11 -1.95 0.09 132.00 130.84 3a1d h PRO 624 Ca 0.45 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.41 3a1d h PRO 624 Cb 0.77 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.68 3a1d h PRO 624 CO -0.48 0.53 -0.05 0.00 -0.21 0.00 0.00 178.00 177.80 3a1d h ALA 625 N 1.32 0.80 -0.88 -0.75 0.00 -1.80 -0.69 119.26 117.27 3a1d h ALA 625 Ca 0.29 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.90 3a1d h ALA 625 Cb 0.07 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3a1d h ALA 625 CO -0.13 0.68 0.57 -0.07 0.00 0.00 0.00 179.25 180.30 3a1d h LEU 626 N 0.96 0.96 -0.26 0.00 3.38 -0.88 -1.45 115.31 118.02 3a1d h LEU 626 Ca 0.16 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.00 3a1d h LEU 626 Cb 0.61 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3a1d h LEU 626 CO 0.04 0.67 -0.31 0.00 0.09 0.00 0.00 178.44 178.93 3a1d h ALA 627 N 1.35 0.39 -0.78 1.53 0.00 -0.81 -3.19 119.26 117.76 3a1d h ALA 627 Ca 0.34 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3a1d h ALA 627 Cb -0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3a1d h ALA 627 CO -0.10 0.43 0.41 0.37 0.00 0.00 0.00 179.25 180.36 3a1d h GLN 628 N 0.41 1.09 -7.07 0.00 5.75 -0.94 -3.45 115.11 110.91 3a1d h GLN 628 Ca 0.04 -0.14 -0.56 0.00 -0.15 0.00 0.00 58.65 57.84 3a1d h GLN 628 Cb 0.89 -0.21 0.16 0.00 1.07 0.00 0.00 27.48 29.39 3a1d h GLN 628 CO 0.08 0.82 0.47 0.00 -2.65 0.00 0.00 178.83 177.54 3a1d n ALA 629 N -2.37 1.06 -0.32 3.38 0.00 -0.56 -4.91 120.51 116.78 3a1d n ALA 629 Ca 0.07 0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.53 3a1d n ALA 629 Cb 0.10 -2.30 0.18 0.00 0.00 0.00 0.00 19.45 17.44 3a1d n ALA 629 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3a1d h ASP 630 N 0.58 1.01 -3.26 0.00 3.32 -1.43 -3.40 116.42 113.25 3a1d h ASP 630 Ca -0.51 -0.02 -0.48 0.00 0.02 0.00 0.00 57.03 56.05 3a1d h ASP 630 Cb 1.34 -0.24 -0.39 0.00 0.22 0.00 0.00 39.33 40.26 3a1d h ASP 630 CO 0.53 0.71 -0.77 -0.22 -1.72 0.00 0.00 179.24 177.77 3a1d s LEU 631 N -10.03 0.91 -0.22 1.55 2.96 -0.78 -5.01 118.68 108.07 3a1d s LEU 631 Ca -0.12 -0.43 -0.12 0.00 -0.22 0.00 0.00 54.13 53.23 3a1d s LEU 631 Cb 0.19 -0.55 -0.05 0.00 0.50 0.00 0.00 46.19 46.28 3a1d s LEU 631 CO 0.80 -0.24 0.25 -0.83 -1.32 0.00 0.00 176.35 175.02 3a1d s GLY 632 N 1.89 2.04 -0.16 7.98 0.00 -1.24 -0.94 107.32 116.89 3a1d s GLY 632 Ca 0.02 -0.71 0.01 0.00 0.00 0.00 0.00 44.72 44.04 3a1d s GLY 632 CO -0.07 0.51 -0.19 -0.42 0.00 0.00 0.00 173.10 172.94 3a1d s ILE 633 N 1.02 1.91 -0.01 0.90 1.01 0.27 -0.40 121.20 125.90 3a1d s ILE 633 Ca 0.12 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 59.77 3a1d s ILE 633 Cb -0.14 -1.73 -0.06 0.00 0.01 0.00 0.00 42.46 40.55 3a1d s ILE 633 CO 0.05 0.52 0.41 0.00 0.00 0.00 0.00 174.94 175.91 3a1d s ALA 634 N 1.24 3.69 -0.06 9.38 0.00 0.05 -1.17 121.76 134.88 3a1d s ALA 634 Ca 0.02 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.79 3a1d s ALA 634 Cb -0.13 -2.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.57 3a1d s ALA 634 CO -0.10 0.45 -0.16 0.08 0.00 0.00 0.00 175.76 176.03 3a1d s VAL 635 N -0.95 2.92 -0.51 0.00 1.01 -0.05 0.14 120.40 122.95 3a1d s VAL 635 Ca 0.24 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 3a1d s VAL 635 Cb -0.16 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.08 3a1d s VAL 635 CO 0.13 0.58 0.44 0.61 0.00 0.00 0.00 175.10 176.86 3a1d n GLY 636 N 2.56 0.34 0.23 4.51 0.00 -0.36 -4.65 105.19 107.81 3a1d n GLY 636 Ca -0.17 -0.31 0.08 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.98 0.00 -2.82 1.61 4.64 -1.05 -3.46 113.55 111.48 3a1d h SER 637 Ca -0.22 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.11 3a1d h SER 637 Cb 1.14 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3a1d h SER 637 CO 0.21 0.23 -0.01 0.61 -0.87 0.00 0.00 176.83 176.99 3a1d n GLY 638 N -0.56 -1.65 0.02 -0.77 0.00 -0.23 -4.34 105.19 97.65 3a1d n GLY 638 Ca -0.02 -1.26 0.11 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.73 0.10 -4.42 1.61 3.41 -1.26 -4.52 113.62 107.80 3a1d n SER 639 Ca 0.00 0.52 -0.38 0.00 -0.26 0.00 0.00 58.87 58.75 3a1d n SER 639 Cb 0.02 -0.54 -0.12 0.00 -0.26 0.00 0.00 64.21 63.31 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 -3.19 5.41 -0.17 4.04 -1.08 -1.26 -4.96 116.67 115.47 3a1d s ASP 640 Ca 0.10 -0.52 0.16 0.00 -0.52 0.00 0.00 52.55 51.78 3a1d s ASP 640 Cb 0.14 -1.97 0.57 0.00 -1.46 0.00 0.00 42.92 40.20 3a1d s ASP 640 CO 0.42 -0.17 1.47 1.33 0.52 0.00 0.00 175.17 178.74 3a1d n VAL 641 N 4.95 2.24 -0.20 1.11 0.24 -1.26 -4.75 118.33 120.66 3a1d n VAL 641 Ca -0.14 -1.70 -0.05 0.00 -2.04 0.00 0.00 64.34 60.40 3a1d n VAL 641 Cb 0.49 -0.18 0.04 0.00 -1.47 0.00 0.00 33.84 32.73 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 2.26 0.74 -0.00 2.33 0.00 -1.97 -3.32 119.26 119.31 3a1d h ALA 642 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3a1d h ALA 642 Cb 1.47 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3a1d h ALA 642 CO 0.25 0.12 -0.27 1.33 0.00 0.00 0.00 179.25 180.68 3a1d n VAL 643 N -4.72 0.00 -1.95 0.00 0.24 -1.26 -4.99 118.33 105.64 3a1d n VAL 643 Ca 0.05 -0.37 -0.42 0.00 -2.04 0.00 0.00 64.34 61.56 3a1d n VAL 643 Cb 0.05 1.03 -0.03 0.00 -1.47 0.00 0.00 33.84 33.42 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 -1.48 4.21 0.56 7.34 8.01 -1.25 -4.86 118.70 131.23 3a1d s GLU 644 Ca 0.04 2.32 -0.11 0.00 0.01 0.00 0.00 54.97 57.23 3a1d s GLU 644 Cb 0.05 -3.38 -0.05 0.00 -4.31 0.00 0.00 34.13 26.45 3a1d s GLU 644 CO 0.25 -0.66 0.96 -1.12 0.01 0.00 0.00 175.26 174.70 3a1d s SER 645 N 1.75 6.33 0.00 -0.19 0.01 0.40 -5.00 113.70 117.00 3a1d s SER 645 Ca 0.71 1.34 0.00 0.00 1.31 0.00 0.00 55.95 59.31 3a1d s SER 645 Cb -0.41 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.39 3a1d s SER 645 CO 0.32 -0.73 0.00 0.61 0.41 0.00 0.00 173.24 173.85 3a1d n GLY 646 N -2.33 4.14 0.12 3.44 0.00 -1.26 -4.36 105.19 104.94 3a1d n GLY 646 Ca 0.05 -1.57 -0.05 0.00 0.00 0.00 0.00 46.02 44.45 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 0.08 -3.79 1.61 5.19 -1.06 -3.44 116.42 115.00 3a1d h ASP 647 Ca 0.00 -0.06 -0.43 0.00 -0.62 0.00 0.00 57.03 55.92 3a1d h ASP 647 Cb 0.00 -0.02 -0.31 0.00 0.18 0.00 0.00 39.33 39.18 3a1d h ASP 647 CO 0.00 0.81 -0.79 -0.63 -3.12 0.00 0.00 179.24 175.51 3a1d s ILE 648 N -3.31 0.80 -0.13 0.35 1.01 -0.79 -1.20 121.20 117.93 3a1d s ILE 648 Ca -0.01 -0.36 0.03 0.00 0.00 0.00 0.00 60.65 60.30 3a1d s ILE 648 Cb 0.11 -0.71 0.01 0.00 0.01 0.00 0.00 42.46 41.88 3a1d s ILE 648 CO 0.79 0.25 -0.21 -0.69 0.00 0.00 0.00 174.94 175.09 3a1d s VAL 649 N 0.22 1.93 -0.22 2.92 1.01 0.31 -0.77 120.40 125.81 3a1d s VAL 649 Ca -0.04 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.92 3a1d s VAL 649 Cb -0.09 -1.71 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 3a1d s VAL 649 CO 0.01 0.53 0.21 -0.76 0.00 0.00 0.00 175.10 175.08 3a1d s LEU 650 N 0.77 4.15 0.11 3.92 1.43 0.12 -0.32 118.68 128.87 3a1d s LEU 650 Ca -0.09 0.24 -0.18 0.00 -1.03 0.00 0.00 54.13 53.07 3a1d s LEU 650 Cb -0.16 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 3a1d s LEU 650 CO -0.00 0.06 1.64 0.40 0.23 0.00 0.00 176.35 178.69 3a1d h ILE 651 N 4.92 1.18 -3.67 -0.59 1.08 -1.59 -0.59 117.51 118.26 3a1d h ILE 651 Ca -0.39 -0.57 -0.48 0.00 -0.39 0.00 0.00 64.86 63.03 3a1d h ILE 651 Cb 1.16 1.02 0.05 0.00 -3.07 0.00 0.00 36.82 35.98 3a1d h ILE 651 CO 0.70 0.19 0.17 -0.13 -0.69 0.00 0.00 178.15 178.39 3a1d s ARG 652 N -5.51 3.12 0.23 2.37 0.52 -1.26 -1.07 118.95 117.35 3a1d s ARG 652 Ca -0.13 0.09 0.25 0.00 -0.52 0.00 0.00 55.73 55.42 3a1d s ARG 652 Cb 0.09 -2.29 0.62 0.00 0.52 0.00 0.00 34.95 33.89 3a1d s ARG 652 CO 0.73 -0.56 1.64 -0.44 0.02 0.00 0.00 175.30 176.69 3a1d h ASP 653 N -0.08 0.00 -2.50 0.23 3.32 -1.89 -1.74 116.42 113.76 3a1d h ASP 653 Ca -0.46 -0.04 -0.56 0.00 0.02 0.00 0.00 57.03 56.00 3a1d h ASP 653 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 3a1d h ASP 653 CO 0.61 0.02 1.21 -0.62 -1.72 0.00 0.00 179.24 178.74 3a1d s ASP 654 N -4.75 6.30 0.26 6.45 -1.08 -1.26 -4.83 116.67 117.75 3a1d s ASP 654 Ca 0.09 2.07 0.24 0.00 -0.52 0.00 0.00 52.55 54.43 3a1d s ASP 654 Cb 0.11 -2.53 0.97 0.00 -1.46 0.00 0.00 42.92 40.01 3a1d s ASP 654 CO 0.64 -1.26 1.73 0.18 0.52 0.00 0.00 175.17 176.98 3a1d n LEU 655 N 8.49 0.71 0.30 -1.34 4.77 -1.26 -1.35 117.00 127.32 3a1d n LEU 655 Ca 0.21 0.66 0.18 0.00 -0.03 0.00 0.00 56.01 57.02 3a1d n LEU 655 Cb 0.44 -0.55 0.96 0.00 -2.33 0.00 0.00 43.42 41.94 3a1d n LEU 655 CO 0.65 -0.52 1.10 0.03 -1.33 0.00 0.00 177.39 177.32 3a1d h ARG 656 N 0.00 0.00 0.00 3.23 3.08 -1.90 -1.30 114.38 117.50 3a1d h ARG 656 Ca 0.00 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3a1d h ARG 656 Cb 0.41 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 3a1d h ARG 656 CO 0.00 0.03 -0.31 -0.44 -1.07 0.00 0.00 179.97 178.18 3a1d h ASP 657 N 0.00 0.00 -0.08 7.04 3.45 -1.61 0.26 116.42 125.48 3a1d h ASP 657 Ca -0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.45 3a1d h ASP 657 Cb 0.14 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 38.91 3a1d h ASP 657 CO 0.00 0.31 0.03 0.58 -1.57 0.00 0.00 179.24 178.59 3a1d h VAL 658 N 0.00 1.16 -0.35 -1.35 2.07 -1.40 -0.99 116.25 115.39 3a1d h VAL 658 Ca -0.00 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.08 3a1d h VAL 658 Cb 0.71 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.76 3a1d h VAL 658 CO 0.04 0.14 0.11 0.58 0.02 0.00 0.00 177.57 178.45 3a1d h VAL 659 N -0.04 0.88 -0.78 2.57 2.07 -1.46 -2.16 116.25 117.33 3a1d h VAL 659 Ca 0.03 -0.08 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3a1d h VAL 659 Cb 0.19 0.61 -0.06 0.00 -1.52 0.00 0.00 31.29 30.52 3a1d h VAL 659 CO -0.00 0.04 0.47 0.00 0.02 0.00 0.00 177.57 178.11 3a1d h ALA 660 N 1.24 1.05 0.03 1.67 0.00 -0.86 0.20 119.26 122.59 3a1d h ALA 660 Ca 0.16 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3a1d h ALA 660 Cb 0.15 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3a1d h ALA 660 CO -0.18 0.21 -0.01 0.00 0.00 0.00 0.00 179.25 179.27 3a1d h ALA 661 N 1.37 -0.04 -0.29 0.00 0.00 -0.98 -1.98 119.26 117.34 3a1d h ALA 661 Ca 0.34 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.15 3a1d h ALA 661 Cb 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3a1d h ALA 661 CO -0.16 -0.48 -0.04 0.82 0.00 0.00 0.00 179.25 179.40 3a1d h ILE 662 N -0.12 1.19 0.00 0.00 2.04 -1.05 -2.81 117.51 116.76 3a1d h ILE 662 Ca -0.00 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.08 3a1d h ILE 662 Cb 0.11 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.21 3a1d h ILE 662 CO 0.01 0.26 0.00 1.56 0.00 0.00 0.00 178.15 179.98 3a1d h GLN 663 N 0.43 0.00 -0.70 2.37 4.20 -0.28 -2.26 115.11 118.87 3a1d h GLN 663 Ca 0.09 0.00 0.12 0.00 0.06 0.00 0.00 58.65 58.93 3a1d h GLN 663 Cb 0.34 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.07 3a1d h GLN 663 CO 0.01 0.00 0.47 -0.07 -0.67 0.00 0.00 178.83 178.57 3a1d h LEU 664 N 0.00 0.41 0.00 1.46 3.38 -1.09 -2.52 115.31 116.95 3a1d h LEU 664 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3a1d h LEU 664 Cb 0.55 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3a1d h LEU 664 CO 0.00 0.23 -0.56 -1.54 0.09 0.00 0.00 178.44 176.65 3a1d n SER 665 N -4.48 0.58 -4.53 -0.43 3.41 -0.85 -4.97 113.62 102.35 3a1d n SER 665 Ca 0.13 -0.03 -0.25 0.00 -0.26 0.00 0.00 58.87 58.45 3a1d n SER 665 Cb 0.45 0.20 -0.11 0.00 -0.26 0.00 0.00 64.21 64.49 3a1d n SER 665 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3a1d s ARG 666 N -3.09 1.79 0.00 4.33 0.52 -0.95 -4.76 118.95 116.79 3a1d s ARG 666 Ca 0.08 -1.94 0.00 0.00 -0.52 0.00 0.00 55.73 53.35 3a1d s ARG 666 Cb 0.15 -1.56 0.00 0.00 0.52 0.00 0.00 34.95 34.06 3a1d s ARG 666 CO 0.71 0.08 0.31 0.36 0.02 0.00 0.00 175.30 176.77