#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hih h HIS 373 N 0.31 0.90 -0.95 0.00 3.86 -1.99 -1.03 115.15 116.25 3hih h HIS 373 Ca -0.00 -0.12 0.01 0.00 -1.16 0.00 0.00 60.37 59.09 3hih h HIS 373 Cb 1.11 -0.25 -0.05 0.00 1.06 0.00 0.00 27.41 29.28 3hih h HIS 373 CO 0.04 0.81 0.62 -0.07 0.86 0.00 0.00 177.93 180.18 3hih h LEU 374 N 0.73 1.10 -0.53 2.43 3.38 -1.86 0.16 115.31 120.72 3hih h LEU 374 Ca 0.16 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 3hih h LEU 374 Cb 0.39 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 3hih h LEU 374 CO 0.01 0.81 0.10 0.28 0.09 0.00 0.00 178.44 179.72 3hih h SER 375 N 1.29 0.83 -0.39 -0.43 0.02 -1.18 0.98 113.55 114.66 3hih h SER 375 Ca 0.35 -0.25 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 3hih h SER 375 Cb -0.13 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.17 3hih h SER 375 CO -0.07 0.87 0.23 0.44 -1.14 0.00 0.00 176.83 177.16 3hih h ASP 376 N 0.75 0.48 -0.76 3.07 3.32 -0.87 -1.67 116.42 120.74 3hih h ASP 376 Ca 0.16 -0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.18 3hih h ASP 376 Cb 0.38 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.77 3hih h ASP 376 CO 0.01 0.40 0.48 0.24 -1.72 0.00 0.00 179.24 178.65 3hih h MET 377 N 0.51 0.91 -0.63 3.56 2.86 -0.27 -0.90 114.93 120.96 3hih h MET 377 Ca 0.14 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3hih h MET 377 Cb 0.01 -0.21 -0.03 0.00 0.06 0.00 0.00 31.60 31.44 3hih h MET 377 CO -0.03 0.60 0.31 1.25 1.06 0.00 0.00 176.91 180.10 3hih h LEU 378 N 0.94 0.82 -0.74 1.22 5.85 -0.43 -1.06 115.31 121.92 3hih h LEU 378 Ca 0.31 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 3hih h LEU 378 Cb 0.02 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.81 3hih h LEU 378 CO -0.12 0.72 0.45 -0.61 -0.34 0.00 0.00 178.44 178.54 3hih h GLN 379 N 0.87 1.00 -0.53 1.25 5.75 -0.82 0.39 115.11 123.02 3hih h GLN 379 Ca 0.22 -0.09 -0.10 0.00 -0.15 0.00 0.00 58.65 58.53 3hih h GLN 379 Cb 0.11 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 3hih h GLN 379 CO -0.03 0.71 -0.08 1.96 -2.65 0.00 0.00 178.83 178.74 3hih h GLN 380 N 1.01 0.96 -0.08 1.69 4.20 -0.90 -1.41 115.11 120.57 3hih h GLN 380 Ca 0.26 -0.33 -0.22 0.00 0.06 0.00 0.00 58.65 58.43 3hih h GLN 380 Cb -0.04 -0.08 0.01 0.00 0.30 0.00 0.00 27.48 27.67 3hih h GLN 380 CO -0.05 0.99 -0.83 -0.07 -0.67 0.00 0.00 178.83 178.20 3hih h LEU 381 N 0.86 0.70 -0.50 1.46 3.38 -0.84 -1.94 115.31 118.43 3hih h LEU 381 Ca 0.14 -0.49 0.08 0.00 0.09 0.00 0.00 57.88 57.70 3hih h LEU 381 Cb 0.61 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 41.09 3hih h LEU 381 CO 0.04 1.27 0.15 -0.74 0.09 0.00 0.00 178.44 179.25 3hih h HIS 382 N 0.37 0.25 -0.10 1.13 2.76 -0.05 -1.23 115.15 118.29 3hih h HIS 382 Ca -0.06 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.09 3hih h HIS 382 Cb 1.45 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 30.37 3hih h HIS 382 CO 0.07 0.06 -0.10 1.03 -1.30 0.00 0.00 177.93 177.68 3hih h SER 383 N 0.31 0.27 -0.55 3.26 0.87 -1.18 0.16 113.55 116.69 3hih h SER 383 Ca 0.25 -0.48 -0.03 0.00 -1.23 0.00 0.00 61.79 60.29 3hih h SER 383 Cb 0.30 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 3hih h SER 383 CO -0.28 0.70 0.22 1.62 -0.53 0.00 0.00 176.83 178.56 3hih h VAL 384 N -0.16 1.22 -0.38 2.23 3.04 -1.31 -2.93 116.25 117.95 3hih h VAL 384 Ca 0.02 -0.67 -0.14 0.00 -1.01 0.00 0.00 66.70 64.90 3hih h VAL 384 Cb 0.62 0.64 -0.01 0.00 -2.01 0.00 0.00 31.29 30.53 3hih h VAL 384 CO 0.03 0.26 -0.31 0.78 -1.01 0.00 0.00 177.57 177.32 3hih h ASN 385 N 0.74 0.88 0.34 3.17 -0.26 -1.13 -2.56 115.58 116.76 3hih h ASN 385 Ca 0.18 -0.36 -0.00 0.00 -0.56 0.00 0.00 56.30 55.56 3hih h ASN 385 Cb 0.19 -0.24 -0.00 0.00 -1.06 0.00 0.00 38.32 37.20 3hih h ASN 385 CO -0.02 1.11 -0.02 0.00 -1.06 0.00 0.00 177.43 177.45 3hih h ALA 386 N 0.94 1.08 -0.00 -0.83 0.00 -0.90 -1.36 119.26 118.19 3hih h ALA 386 Ca 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hih h ALA 386 Cb 0.86 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3hih h ALA 386 CO 0.08 0.03 -0.08 -1.13 0.00 0.00 0.00 179.25 178.15 3hih n SER 387 N -3.22 0.25 -3.66 0.00 3.41 -0.97 -4.96 113.62 104.47 3hih n SER 387 Ca -0.02 -0.32 -0.26 0.00 -0.26 0.00 0.00 58.87 58.01 3hih n SER 387 Cb 0.16 -0.17 0.02 0.00 -0.26 0.00 0.00 64.21 63.96 3hih n SER 387 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hih n LYS 388 N -1.15 -1.20 0.24 4.33 5.02 -0.51 -4.84 118.16 120.05 3hih n LYS 388 Ca 0.14 0.66 0.16 0.00 -2.02 0.00 0.00 58.31 57.25 3hih n LYS 388 Cb 0.27 -3.69 0.66 0.00 -0.02 0.00 0.00 35.03 32.24 3hih n LYS 388 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3hih h PRO 389 N -1.16 0.00 0.00 1.97 0.13 -1.82 -1.47 132.00 129.66 3hih h PRO 389 Ca -0.55 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 3hih h PRO 389 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3hih h PRO 389 CO 0.42 0.00 -0.27 -1.13 -0.23 0.00 0.00 178.00 176.79 3hih n SER 390 N -2.84 0.30 -3.74 1.44 3.41 -1.24 -1.77 113.62 109.18 3hih n SER 390 Ca 0.01 0.12 -0.42 0.00 -0.26 0.00 0.00 58.87 58.32 3hih n SER 390 Cb 0.27 -0.12 0.00 0.00 -0.26 0.00 0.00 64.21 64.11 3hih n SER 390 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3hih n GLU 391 N -1.55 4.09 -4.04 4.33 1.02 -0.55 -4.89 120.64 119.05 3hih n GLU 391 Ca 0.06 -3.63 -0.12 0.00 -0.02 0.00 0.00 57.16 53.45 3hih n GLU 391 Cb 0.35 -2.77 -0.12 0.00 -0.02 0.00 0.00 31.44 28.87 3hih n GLU 391 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3hih s ARG 392 N -0.58 0.41 0.06 3.49 1.81 -1.26 -5.05 118.95 117.84 3hih s ARG 392 Ca 0.44 -0.56 -0.21 0.00 -1.72 0.00 0.00 55.73 53.67 3hih s ARG 392 Cb 0.13 -0.18 -0.12 0.00 -0.45 0.00 0.00 34.95 34.32 3hih s ARG 392 CO -0.02 0.03 1.54 0.78 -0.68 0.00 0.00 175.30 176.94 3hih h GLY 393 N 4.92 0.23 -7.52 -3.53 0.00 -1.98 -3.38 103.07 91.81 3hih h GLY 393 Ca -0.33 -0.15 -0.63 0.00 0.00 0.00 0.00 47.33 46.22 3hih h GLY 393 CO 0.43 0.14 -0.80 -2.27 0.00 0.00 0.00 176.54 174.05 3hih s LEU 394 N -9.66 2.71 0.17 3.11 2.96 -1.26 -5.11 118.68 111.60 3hih s LEU 394 Ca -0.14 -1.15 -0.30 0.00 -0.22 0.00 0.00 54.13 52.32 3hih s LEU 394 Cb 0.06 -1.29 -0.08 0.00 0.50 0.00 0.00 46.19 45.38 3hih s LEU 394 CO 0.70 -0.20 1.23 -0.69 -1.32 0.00 0.00 176.35 176.07 3hih s VAL 395 N 1.32 3.54 -0.37 1.68 1.01 -1.26 -4.89 120.40 121.42 3hih s VAL 395 Ca -0.05 1.26 0.12 0.00 0.00 0.00 0.00 61.98 63.30 3hih s VAL 395 Cb -0.18 -3.80 0.45 0.00 0.00 0.00 0.00 36.38 32.84 3hih s VAL 395 CO -0.06 0.18 1.06 0.54 0.00 0.00 0.00 175.10 176.82 3hih n ARG 396 N 2.74 2.45 0.26 2.72 1.74 0.69 -4.92 116.66 122.34 3hih n ARG 396 Ca 0.05 -3.92 0.13 0.00 -0.77 0.00 0.00 57.85 53.34 3hih n ARG 396 Cb 0.44 -1.82 0.71 0.00 -1.02 0.00 0.00 32.46 30.77 3hih n ARG 396 CO 0.00 0.00 0.00 -0.56 -1.52 0.00 0.00 177.63 175.55 3hih h GLN 397 N 2.70 0.00 -0.51 5.56 3.07 -1.71 -1.03 115.11 123.18 3hih h GLN 397 Ca 0.12 0.00 0.12 0.00 0.09 0.00 0.00 58.65 58.98 3hih h GLN 397 Cb 1.10 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.64 3hih h GLN 397 CO 0.66 0.12 0.35 1.05 0.09 0.00 0.00 178.83 181.11 3hih h GLU 398 N 0.00 0.16 0.00 0.06 9.09 -1.91 0.63 114.58 122.61 3hih h GLU 398 Ca -0.00 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 59.40 3hih h GLU 398 Cb 0.38 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 3hih h GLU 398 CO 0.02 0.11 0.00 0.93 0.05 0.00 0.00 179.01 180.11 3hih h GLU 399 N 0.17 0.00 -0.01 1.06 4.39 -1.59 -2.74 114.58 115.86 3hih h GLU 399 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 3hih h GLU 399 Cb 0.73 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3hih h GLU 399 CO -0.04 0.00 -0.41 0.00 -1.16 0.00 0.00 179.01 177.40 3hih n ALA 400 N -2.04 3.41 -1.82 3.43 0.00 0.21 -4.94 120.51 118.76 3hih n ALA 400 Ca -0.01 -0.47 -0.41 0.00 0.00 0.00 0.00 53.44 52.55 3hih n ALA 400 Cb 0.16 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.56 3hih n ALA 400 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hih s GLU 401 N -2.62 4.38 -0.31 0.00 2.02 -1.04 -1.08 118.70 120.05 3hih s GLU 401 Ca 0.19 2.15 -0.01 0.00 0.02 0.00 0.00 54.97 57.33 3hih s GLU 401 Cb 0.18 -3.11 0.13 0.00 0.10 0.00 0.00 34.13 31.43 3hih s GLU 401 CO 0.59 -0.18 0.25 0.34 0.02 0.00 0.00 175.26 176.28 3hih s ASP 402 N -0.29 2.28 0.54 -0.19 -1.08 -0.40 -4.87 116.67 112.66 3hih s ASP 402 Ca 0.51 -1.21 0.31 0.00 -0.52 0.00 0.00 52.55 51.64 3hih s ASP 402 Cb -0.39 0.17 1.68 0.00 -1.46 0.00 0.00 42.92 42.92 3hih s ASP 402 CO 0.48 -0.37 1.93 1.55 0.52 0.00 0.00 175.17 179.28 3hih h PRO 403 N 7.96 0.00 0.00 4.34 0.13 -1.95 -0.79 132.00 141.70 3hih h PRO 403 Ca -0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.03 3hih h PRO 403 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3hih h PRO 403 CO 0.33 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.10 3hih n ALA 404 N -1.88 1.43 0.49 -0.56 0.00 -1.26 -2.77 120.51 115.97 3hih n ALA 404 Ca -0.02 0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.49 3hih n ALA 404 Cb 0.19 -1.21 0.05 0.00 0.00 0.00 0.00 19.45 18.47 3hih n ALA 404 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hih n ILE 406 N 0.61 0.29 -1.44 0.00 5.41 -1.11 -4.89 119.36 118.23 3hih n ILE 406 Ca 0.07 -0.07 -0.35 0.00 1.00 0.00 0.00 62.75 63.40 3hih n ILE 406 Cb 0.29 -1.39 0.10 0.00 -0.71 0.00 0.00 39.64 37.93 3hih n ILE 406 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3hih s PRO 407 N 0.45 2.12 0.05 0.38 0.04 -1.26 -3.58 135.00 133.20 3hih s PRO 407 Ca 0.77 1.85 -0.06 0.00 0.04 0.00 0.00 61.00 63.59 3hih s PRO 407 Cb -0.72 -1.82 -0.30 0.00 0.04 0.00 0.00 34.50 31.71 3hih s PRO 407 CO 0.43 -1.87 1.04 0.82 0.04 0.00 0.00 177.00 177.46 3hih h ILE 408 N -0.21 1.37 -3.88 0.56 2.04 -1.90 -3.04 117.51 112.45 3hih h ILE 408 Ca -0.48 -2.93 -0.42 0.00 1.00 0.00 0.00 64.86 62.02 3hih h ILE 408 Cb 1.31 2.92 -0.30 0.00 -0.74 0.00 0.00 36.82 40.01 3hih h ILE 408 CO 0.50 0.86 -0.79 -0.36 0.00 0.00 0.00 178.15 178.36 3hih s PHE 409 N -2.64 0.93 0.21 1.37 0.08 -1.26 -4.85 117.98 111.83 3hih s PHE 409 Ca -0.06 -0.22 -0.10 0.00 0.12 0.00 0.00 56.93 56.68 3hih s PHE 409 Cb 0.06 -0.65 -0.01 0.00 -0.57 0.00 0.00 43.02 41.86 3hih s PHE 409 CO 0.89 -0.08 0.36 1.67 -0.10 0.00 0.00 175.22 177.96 3hih s TRP 410 N 0.08 0.51 -0.23 0.36 -2.14 -1.26 -5.00 118.94 111.26 3hih s TRP 410 Ca -0.01 -0.85 -0.25 0.00 2.66 0.00 0.00 56.10 57.65 3hih s TRP 410 Cb -0.07 -0.02 -0.01 0.00 -3.10 0.00 0.00 33.47 30.28 3hih s TRP 410 CO 0.00 -0.85 0.85 0.08 -2.66 0.00 0.00 176.95 174.37 3hih s VAL 411 N -4.03 4.83 -0.12 -0.66 1.01 -1.26 -1.24 120.40 118.93 3hih s VAL 411 Ca 0.24 1.63 0.19 0.00 0.00 0.00 0.00 61.98 64.04 3hih s VAL 411 Cb 0.02 -4.14 -0.23 0.00 0.00 0.00 0.00 36.38 32.03 3hih s VAL 411 CO 0.07 -0.06 0.49 -1.54 0.00 0.00 0.00 175.10 174.05 3hih n SER 412 N 5.87 0.30 -3.78 3.32 3.41 0.74 -4.81 113.62 118.66 3hih n SER 412 Ca 0.06 0.13 -0.13 0.00 -0.26 0.00 0.00 58.87 58.67 3hih n SER 412 Cb 0.48 1.06 -0.09 0.00 -0.26 0.00 0.00 64.21 65.39 3hih n SER 412 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3hih s LYS 413 N -3.01 0.59 0.04 4.33 1.02 -1.16 -0.58 119.74 120.97 3hih s LYS 413 Ca -0.07 -0.15 -0.08 0.00 0.02 0.00 0.00 55.97 55.69 3hih s LYS 413 Cb 0.10 0.26 0.00 0.00 -0.52 0.00 0.00 37.83 37.67 3hih s LYS 413 CO 0.85 -0.15 0.17 1.67 -0.92 0.00 0.00 175.35 176.97 3hih s TRP 414 N -1.14 0.09 -0.08 3.18 1.48 -1.26 -0.58 118.94 120.62 3hih s TRP 414 Ca -0.12 -0.32 -0.02 0.00 -1.06 0.00 0.00 56.10 54.58 3hih s TRP 414 Cb -0.05 -0.06 0.04 0.00 -1.16 0.00 0.00 33.47 32.24 3hih s TRP 414 CO 0.03 -0.41 0.05 0.08 -4.06 0.00 0.00 176.95 172.65 3hih s VAL 415 N -2.51 0.04 -0.58 -0.66 1.01 0.38 -4.99 120.40 113.09 3hih s VAL 415 Ca -0.06 0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.93 3hih s VAL 415 Cb -0.01 -0.36 0.08 0.00 0.00 0.00 0.00 36.38 36.09 3hih s VAL 415 CO -0.04 0.09 0.73 -0.62 0.00 0.00 0.00 175.10 175.27 3hih s ASP 416 N 2.10 6.20 -0.36 3.32 -1.08 -1.26 -1.21 116.67 124.38 3hih s ASP 416 Ca 0.04 -1.20 0.06 0.00 -0.52 0.00 0.00 52.55 50.93 3hih s ASP 416 Cb -0.13 -2.32 0.46 0.00 -1.46 0.00 0.00 42.92 39.47 3hih s ASP 416 CO -0.05 -1.11 1.40 0.00 0.52 0.00 0.00 175.17 175.93 3hih n TYR 417 N 6.54 2.49 0.44 -5.34 4.19 -0.22 -4.82 117.16 120.44 3hih n TYR 417 Ca -0.08 -2.27 0.12 0.00 3.31 0.00 0.00 57.90 58.98 3hih n TYR 417 Cb 0.44 -0.59 0.47 0.00 0.49 0.00 0.00 39.34 40.15 3hih n TYR 417 CO 0.00 0.00 0.00 -1.13 0.91 0.00 0.00 176.86 176.64 3hih n SER 418 N -0.83 0.61 0.04 2.98 3.41 -0.97 -0.80 113.62 118.06 3hih n SER 418 Ca 0.45 0.64 0.10 0.00 -0.26 0.00 0.00 58.87 59.80 3hih n SER 418 Cb 0.90 -0.77 0.42 0.00 -0.26 0.00 0.00 64.21 64.50 3hih n SER 418 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3hih n ASP 419 N -2.16 0.26 0.00 4.04 3.85 -1.26 -4.34 116.55 116.94 3hih n ASP 419 Ca 0.03 0.55 0.00 0.00 -0.71 0.00 0.00 54.79 54.66 3hih n ASP 419 Cb 0.24 -0.61 0.00 0.00 -1.35 0.00 0.00 41.12 39.40 3hih n ASP 419 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.20 177.36 3hih n LYS 420 N -1.77 0.00 0.00 0.11 4.81 -0.93 -5.05 118.16 115.33 3hih n LYS 420 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 3hih n LYS 420 Cb 0.24 -0.42 0.00 0.00 0.02 0.00 0.00 35.03 34.87 3hih n LYS 420 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3hih n TYR 421 N -1.64 0.00 -1.40 5.64 4.01 0.02 -4.91 117.16 118.88 3hih n TYR 421 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 3hih n TYR 421 Cb 0.00 0.08 0.00 0.00 -0.31 0.00 0.00 39.34 39.11 3hih n TYR 421 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hih n GLY 422 N 2.76 0.10 3.10 2.72 0.00 -0.71 -1.02 105.19 112.14 3hih n GLY 422 Ca 0.00 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.37 3hih n GLY 422 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hih s LEU 423 N 0.00 3.23 0.12 0.99 1.98 -0.43 -1.06 118.68 123.52 3hih s LEU 423 Ca 0.00 -1.21 -0.09 0.00 -2.89 0.00 0.00 54.13 49.94 3hih s LEU 423 Cb 0.00 -1.56 -0.06 0.00 0.66 0.00 0.00 46.19 45.23 3hih s LEU 423 CO 0.00 -0.16 0.42 -0.83 -1.89 0.00 0.00 176.35 173.90 3hih s GLY 424 N 1.17 2.32 0.11 7.98 0.00 -0.35 -1.30 107.32 117.24 3hih s GLY 424 Ca -0.05 -0.39 -0.16 0.00 0.00 0.00 0.00 44.72 44.11 3hih s GLY 424 CO -0.06 -0.21 0.40 -2.52 0.00 0.00 0.00 173.10 170.71 3hih s TYR 425 N -1.52 -0.21 -0.05 1.90 -0.85 0.20 -0.47 117.35 116.35 3hih s TYR 425 Ca 0.37 -0.05 0.04 0.00 -0.52 0.00 0.00 57.07 56.91 3hih s TYR 425 Cb -0.13 0.25 -0.02 0.00 0.38 0.00 0.00 41.96 42.43 3hih s TYR 425 CO 0.20 -0.67 -0.17 -1.14 -1.52 0.00 0.00 175.55 172.24 3hih s GLN 426 N -3.55 2.49 0.50 -3.49 0.74 0.25 -0.88 119.66 115.73 3hih s GLN 426 Ca 0.01 -0.76 -0.02 0.00 0.05 0.00 0.00 55.36 54.65 3hih s GLN 426 Cb 0.01 -2.31 0.00 0.00 1.10 0.00 0.00 33.01 31.82 3hih s GLN 426 CO -0.10 0.56 0.75 -0.51 -0.55 0.00 0.00 175.29 175.44 3hih s LEU 427 N -0.58 3.49 0.08 3.68 1.43 -0.36 -0.19 118.68 126.23 3hih s LEU 427 Ca 0.08 0.41 0.13 0.00 -1.03 0.00 0.00 54.13 53.72 3hih s LEU 427 Cb -0.11 -3.27 0.59 0.00 0.03 0.00 0.00 46.19 43.43 3hih s LEU 427 CO 0.01 -0.85 1.42 0.00 0.23 0.00 0.00 176.35 177.16 3hih n ASP 429 N -1.71 2.11 0.00 0.00 5.75 -1.26 -4.93 116.55 116.51 3hih n ASP 429 Ca 0.02 -1.91 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 3hih n ASP 429 Cb 0.13 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.00 3hih n ASP 429 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3hih n ASN 430 N 0.63 -0.93 -4.75 -1.12 5.03 0.38 -4.72 115.26 109.78 3hih n ASN 430 Ca 0.15 0.00 -0.36 0.00 0.87 0.00 0.00 54.58 55.24 3hih n ASN 430 Cb 0.36 -0.29 0.04 0.00 -1.02 0.00 0.00 39.78 38.87 3hih n ASN 430 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 3hih s SER 431 N -2.67 5.01 -0.02 6.41 1.04 -1.25 -4.67 113.70 117.55 3hih s SER 431 Ca 0.00 2.47 0.07 0.00 0.48 0.00 0.00 55.95 58.97 3hih s SER 431 Cb 0.00 -2.61 -0.02 0.00 0.10 0.00 0.00 66.02 63.50 3hih s SER 431 CO 0.00 -1.72 -0.23 0.68 0.98 0.00 0.00 173.24 172.95 3hih s VAL 432 N -1.52 1.82 0.20 5.02 -7.23 -0.61 -1.22 120.40 116.85 3hih s VAL 432 Ca 0.79 -0.98 0.03 0.00 -1.81 0.00 0.00 61.98 60.01 3hih s VAL 432 Cb -0.33 -1.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.06 3hih s VAL 432 CO 0.35 0.51 -0.01 -0.83 -0.31 0.00 0.00 175.10 174.82 3hih s GLY 433 N -0.54 1.40 -0.01 2.32 0.00 -0.06 -0.17 107.32 110.26 3hih s GLY 433 Ca 0.09 -1.68 -0.00 0.00 0.00 0.00 0.00 44.72 43.12 3hih s GLY 433 CO -0.01 -1.61 0.01 0.14 0.00 0.00 0.00 173.10 171.63 3hih s VAL 434 N -3.50 -0.01 -0.42 1.40 1.01 -0.16 -0.63 120.40 118.10 3hih s VAL 434 Ca 0.26 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 3hih s VAL 434 Cb 0.05 -0.03 0.06 0.00 0.00 0.00 0.00 36.38 36.47 3hih s VAL 434 CO 0.06 0.02 0.27 -0.22 0.00 0.00 0.00 175.10 175.23 3hih s LEU 435 N 0.21 5.12 0.64 3.92 2.96 -0.42 -1.96 118.68 129.16 3hih s LEU 435 Ca -0.02 -1.34 -0.12 0.00 -0.22 0.00 0.00 54.13 52.43 3hih s LEU 435 Cb -0.03 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 3hih s LEU 435 CO -0.01 -0.52 1.05 -0.36 -1.32 0.00 0.00 176.35 175.19 3hih s PHE 436 N 1.50 3.22 0.54 5.38 0.08 -0.35 -1.31 117.98 127.03 3hih s PHE 436 Ca 0.03 1.42 0.23 0.00 0.12 0.00 0.00 56.93 58.73 3hih s PHE 436 Cb -0.22 -2.87 1.40 0.00 -0.57 0.00 0.00 43.02 40.76 3hih s PHE 436 CO 0.04 -1.02 2.06 -0.91 -0.10 0.00 0.00 175.22 175.29 3hih h ASN 437 N -0.23 0.00 0.00 1.36 2.35 -1.40 -0.32 115.58 117.34 3hih h ASN 437 Ca -0.45 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3hih h ASN 437 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 3hih h ASN 437 CO 0.58 0.00 0.00 -0.90 -1.65 0.00 0.00 177.43 175.46 3hih n ASP 438 N -4.33 0.00 0.00 5.81 5.68 -1.26 -4.91 116.55 117.55 3hih n ASP 438 Ca 0.04 -1.60 0.00 0.00 -0.50 0.00 0.00 54.79 52.73 3hih n ASP 438 Cb 0.40 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 3hih n ASP 438 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 3hih n SER 439 N -0.67 -3.79 -4.91 -1.12 7.64 -0.13 -4.84 113.62 105.79 3hih n SER 439 Ca 0.08 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.69 3hih n SER 439 Cb 0.04 -1.54 0.01 0.00 -1.01 0.00 0.00 64.21 61.71 3hih n SER 439 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3hih s THR 440 N -1.73 4.49 0.01 0.44 -4.23 -1.26 -4.47 115.64 108.89 3hih s THR 440 Ca 0.00 0.13 0.01 0.00 -1.18 0.00 0.00 61.69 60.65 3hih s THR 440 Cb 0.00 -3.73 -0.01 0.00 1.34 0.00 0.00 72.50 70.11 3hih s THR 440 CO 0.00 -0.72 -0.05 -0.13 -0.54 0.00 0.00 174.62 173.18 3hih s ARG 441 N -4.82 0.37 -0.03 3.99 0.52 -0.42 -1.21 118.95 117.35 3hih s ARG 441 Ca 0.50 -0.32 0.02 0.00 -0.52 0.00 0.00 55.73 55.40 3hih s ARG 441 Cb -0.10 -0.28 0.01 0.00 0.52 0.00 0.00 34.95 35.10 3hih s ARG 441 CO 0.45 0.07 -0.08 -1.17 0.02 0.00 0.00 175.30 174.59 3hih s LEU 442 N -0.54 1.65 -0.06 2.53 2.96 -0.83 -0.85 118.68 123.53 3hih s LEU 442 Ca -0.02 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 3hih s LEU 442 Cb -0.04 -0.52 0.00 0.00 0.50 0.00 0.00 46.19 46.14 3hih s LEU 442 CO -0.00 0.02 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.26 3hih s ILE 443 N 0.43 1.44 -0.27 6.68 1.09 -0.09 -0.99 121.20 129.50 3hih s ILE 443 Ca -0.07 -0.68 -0.05 0.00 -1.10 0.00 0.00 60.65 58.76 3hih s ILE 443 Cb -0.11 -1.26 0.01 0.00 -1.06 0.00 0.00 42.46 40.04 3hih s ILE 443 CO 0.01 0.42 0.02 -0.22 -0.10 0.00 0.00 174.94 175.06 3hih s LEU 444 N 0.35 3.48 0.96 2.97 2.96 0.77 -0.93 118.68 129.24 3hih s LEU 444 Ca -0.11 -0.68 -0.12 0.00 -0.22 0.00 0.00 54.13 53.00 3hih s LEU 444 Cb -0.15 -1.80 0.17 0.00 0.50 0.00 0.00 46.19 44.92 3hih s LEU 444 CO 0.04 -0.14 1.09 -0.31 -1.32 0.00 0.00 176.35 175.71 3hih s TYR 445 N 1.45 2.10 -2.00 5.38 2.02 -0.19 -1.58 117.35 124.54 3hih s TYR 445 Ca 0.03 1.18 0.19 0.00 -0.37 0.00 0.00 57.07 58.09 3hih s TYR 445 Cb -0.16 -3.20 1.11 0.00 -0.40 0.00 0.00 41.96 39.31 3hih s TYR 445 CO -0.00 -2.76 1.58 0.27 -1.57 0.00 0.00 175.55 173.07 3hih n ASN 446 N -4.12 0.00 0.00 2.29 0.23 -1.26 -1.80 115.26 110.60 3hih n ASN 446 Ca 0.06 -0.99 0.14 0.00 -0.53 0.00 0.00 54.58 53.26 3hih n ASN 446 Cb 0.56 0.00 0.71 0.00 -2.08 0.00 0.00 39.78 38.96 3hih n ASN 446 CO 0.00 0.00 0.00 -0.90 -0.93 0.00 0.00 177.26 175.43 3hih n ASP 447 N -0.87 0.00 0.00 0.53 5.68 -1.26 -4.92 116.55 115.71 3hih n ASP 447 Ca 0.14 -0.06 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 3hih n ASP 447 Cb 0.06 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.74 3hih n ASP 447 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hih n GLY 448 N 1.17 0.79 0.00 6.12 0.00 -0.75 -4.78 105.19 107.74 3hih n GLY 448 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3hih n GLY 448 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hih n ASP 449 N -0.02 0.11 -4.73 1.61 2.03 -1.26 -4.92 116.55 109.38 3hih n ASP 449 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 3hih n ASP 449 Cb 0.01 0.01 -0.04 0.00 -0.72 0.00 0.00 41.12 40.37 3hih n ASP 449 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 3hih s SER 450 N -1.62 7.45 0.13 1.67 0.01 -1.26 -0.49 113.70 119.59 3hih s SER 450 Ca 0.00 1.83 0.11 0.00 1.31 0.00 0.00 55.95 59.20 3hih s SER 450 Cb 0.00 -2.59 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 3hih s SER 450 CO 0.00 -0.11 -0.26 -0.76 0.41 0.00 0.00 173.24 172.52 3hih s LEU 451 N 0.06 2.33 -0.10 2.44 1.43 0.50 -1.02 118.68 124.31 3hih s LEU 451 Ca 0.48 -0.75 0.04 0.00 -1.03 0.00 0.00 54.13 52.87 3hih s LEU 451 Cb -0.24 -1.17 0.00 0.00 0.03 0.00 0.00 46.19 44.81 3hih s LEU 451 CO 0.30 0.16 -0.22 -1.58 0.23 0.00 0.00 176.35 175.24 3hih s GLN 452 N -2.08 2.90 -0.11 1.70 0.74 -0.11 -1.62 119.66 121.08 3hih s GLN 452 Ca 0.13 -0.83 0.02 0.00 0.05 0.00 0.00 55.36 54.74 3hih s GLN 452 Cb -0.10 -2.23 -0.01 0.00 1.10 0.00 0.00 33.01 31.77 3hih s GLN 452 CO 0.06 0.13 -0.17 -0.47 -0.55 0.00 0.00 175.29 174.30 3hih s TYR 453 N 0.46 2.71 -0.24 1.67 5.04 0.39 -0.91 117.35 126.47 3hih s TYR 453 Ca -0.17 -0.69 0.02 0.00 -2.44 0.00 0.00 57.07 53.80 3hih s TYR 453 Cb -0.17 -1.77 0.05 0.00 0.35 0.00 0.00 41.96 40.42 3hih s TYR 453 CO 0.07 -0.22 -0.12 0.42 -1.34 0.00 0.00 175.55 174.36 3hih s ILE 454 N 0.19 2.05 0.96 3.14 1.01 -0.03 -0.65 121.20 127.86 3hih s ILE 454 Ca -0.10 -1.40 -0.14 0.00 0.00 0.00 0.00 60.65 59.01 3hih s ILE 454 Cb -0.16 -2.10 0.17 0.00 0.01 0.00 0.00 42.46 40.38 3hih s ILE 454 CO 0.06 0.10 1.17 -0.70 0.00 0.00 0.00 174.94 175.57 3hih s GLU 455 N 1.19 0.75 0.39 2.79 2.56 -0.11 -1.30 118.70 124.97 3hih s GLU 455 Ca -0.05 0.10 0.14 0.00 0.00 0.00 0.00 54.97 55.15 3hih s GLU 455 Cb -0.18 -1.81 0.97 0.00 2.00 0.00 0.00 34.13 35.11 3hih s GLU 455 CO -0.07 -2.42 1.85 0.07 -0.56 0.00 0.00 175.26 174.13 3hih h ARG 456 N -1.66 0.51 -0.39 4.30 0.11 -1.89 0.14 114.38 115.51 3hih h ARG 456 Ca -0.48 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 59.57 3hih h ARG 456 Cb 1.31 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.27 3hih h ARG 456 CO 0.54 0.34 0.00 -0.40 0.10 0.00 0.00 179.97 180.55 3hih n ASP 457 N -4.56 1.58 -0.06 0.08 5.75 -1.26 -4.87 116.55 113.21 3hih n ASP 457 Ca 0.19 -2.07 -0.01 0.00 -0.01 0.00 0.00 54.79 52.89 3hih n ASP 457 Cb 0.61 -0.25 -0.00 0.00 -1.03 0.00 0.00 41.12 40.45 3hih n ASP 457 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hih n GLY 458 N 0.72 0.43 3.66 6.12 0.00 0.04 -4.98 105.19 111.19 3hih n GLY 458 Ca 0.08 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3hih n GLY 458 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hih s THR 459 N -1.82 3.49 0.08 2.61 2.01 -1.26 -4.79 115.64 115.97 3hih s THR 459 Ca 0.00 0.61 0.04 0.00 0.31 0.00 0.00 61.69 62.65 3hih s THR 459 Cb 0.00 -3.40 -0.04 0.00 0.01 0.00 0.00 72.50 69.08 3hih s THR 459 CO 0.00 -0.05 0.02 -1.83 -0.69 0.00 0.00 174.62 172.07 3hih s GLU 460 N 4.03 2.68 0.14 4.92 1.03 -1.26 -0.94 118.70 129.29 3hih s GLU 460 Ca 0.75 -0.77 -0.08 0.00 0.03 0.00 0.00 54.97 54.90 3hih s GLU 460 Cb -0.35 -2.61 -0.01 0.00 -0.80 0.00 0.00 34.13 30.36 3hih s GLU 460 CO 0.31 0.56 0.23 -1.54 -1.33 0.00 0.00 175.26 173.49 3hih s SER 461 N -2.24 0.09 -0.00 0.83 1.04 0.18 -4.99 113.70 108.60 3hih s SER 461 Ca 0.26 -0.83 0.08 0.00 0.48 0.00 0.00 55.95 55.94 3hih s SER 461 Cb -0.12 0.39 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 3hih s SER 461 CO 0.18 -0.83 -0.24 -0.31 0.98 0.00 0.00 173.24 173.03 3hih s TYR 462 N -3.94 2.39 0.18 5.02 2.02 -1.26 -0.46 117.35 121.29 3hih s TYR 462 Ca 0.14 -0.39 -0.04 0.00 -0.37 0.00 0.00 57.07 56.41 3hih s TYR 462 Cb 0.04 -1.49 0.02 0.00 -0.40 0.00 0.00 41.96 40.13 3hih s TYR 462 CO -0.03 0.04 0.31 1.47 -1.57 0.00 0.00 175.55 175.77 3hih n LEU 463 N 2.21 0.00 -4.32 -1.29 -0.00 -0.64 -5.00 117.00 107.96 3hih n LEU 463 Ca -0.16 -1.30 -0.24 0.00 -0.00 0.00 0.00 56.01 54.31 3hih n LEU 463 Cb 0.51 1.55 -0.12 0.00 -0.00 0.00 0.00 43.42 45.36 3hih n LEU 463 CO 0.24 -0.37 -0.51 0.42 -0.00 0.00 0.00 177.39 177.16 3hih s THR 464 N -2.59 1.85 0.24 1.47 -4.23 -1.26 -0.37 115.64 110.74 3hih s THR 464 Ca 0.11 -1.71 -0.07 0.00 -1.18 0.00 0.00 61.69 58.84 3hih s THR 464 Cb -0.01 -1.73 0.22 0.00 1.34 0.00 0.00 72.50 72.31 3hih s THR 464 CO 0.08 -0.11 1.89 0.58 -0.54 0.00 0.00 174.62 176.51 3hih h VAL 465 N 3.77 1.15 0.00 2.29 2.07 -1.13 -2.69 116.25 121.71 3hih h VAL 465 Ca -0.46 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 66.68 3hih h VAL 465 Cb 1.19 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3hih h VAL 465 CO 0.43 0.20 0.00 0.77 0.02 0.00 0.00 177.57 179.00 3hih h SER 466 N 1.12 0.00 0.76 0.57 4.64 -1.95 -0.12 113.55 118.58 3hih h SER 466 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3hih h SER 466 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 3hih h SER 466 CO -0.11 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.31 3hih n SER 467 N -3.00 0.00 -3.78 4.97 3.41 -1.01 -4.97 113.62 109.24 3hih n SER 467 Ca -0.02 0.49 -0.25 0.00 -0.26 0.00 0.00 58.87 58.83 3hih n SER 467 Cb 0.12 -0.50 0.01 0.00 -0.26 0.00 0.00 64.21 63.58 3hih n SER 467 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3hih n HIS 468 N -1.50 -0.89 -2.05 7.33 -0.00 -0.06 -4.84 115.22 113.22 3hih n HIS 468 Ca 0.06 0.14 -0.43 0.00 -0.00 0.00 0.00 57.72 57.49 3hih n HIS 468 Cb 0.26 -1.60 -0.03 0.00 -0.00 0.00 0.00 29.99 28.62 3hih n HIS 468 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 3hih s PRO 469 N -5.80 3.99 0.36 -0.41 0.04 -1.26 -4.90 135.00 127.01 3hih s PRO 469 Ca 0.22 1.96 0.07 0.00 0.04 0.00 0.00 61.00 63.29 3hih s PRO 469 Cb -0.12 -4.01 0.78 0.00 0.04 0.00 0.00 34.50 31.18 3hih s PRO 469 CO 0.56 -1.07 1.92 -0.91 0.04 0.00 0.00 177.00 177.54 3hih h ASN 470 N 10.19 0.65 0.53 6.66 -0.26 -2.01 -0.98 115.58 130.37 3hih h ASN 470 Ca -0.37 0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.38 3hih h ASN 470 Cb 1.17 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 38.31 3hih h ASN 470 CO 0.97 0.38 -0.06 0.77 -1.06 0.00 0.00 177.43 178.44 3hih h SER 471 N 0.72 0.00 -0.19 5.81 4.64 -2.02 -2.62 113.55 119.89 3hih h SER 471 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3hih h SER 471 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3hih h SER 471 CO -0.15 0.06 0.00 0.18 -0.87 0.00 0.00 176.83 176.05 3hih n LEU 472 N -3.30 2.50 -0.20 5.97 4.77 -0.41 -4.70 117.00 121.63 3hih n LEU 472 Ca -0.01 -1.49 -0.02 0.00 -0.03 0.00 0.00 56.01 54.45 3hih n LEU 472 Cb 0.23 -0.12 0.08 0.00 -2.33 0.00 0.00 43.42 41.28 3hih n LEU 472 CO 0.27 0.56 1.05 -0.03 -1.33 0.00 0.00 177.39 177.91 3hih h MET 473 N 2.28 0.56 -0.42 3.23 4.05 -1.07 0.14 114.93 123.70 3hih h MET 473 Ca 0.00 -0.03 0.01 0.00 -0.28 0.00 0.00 59.70 59.40 3hih h MET 473 Cb 0.62 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 31.27 3hih h MET 473 CO 0.00 0.37 0.26 -0.22 0.23 0.00 0.00 176.91 177.54 3hih h LYS 474 N 0.57 0.51 -0.34 0.39 3.11 -1.84 -0.84 116.57 118.14 3hih h LYS 474 Ca 0.27 -0.03 -0.13 0.00 -2.81 0.00 0.00 60.65 57.95 3hih h LYS 474 Cb 0.20 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.30 3hih h LYS 474 CO -0.19 0.33 -0.32 0.87 -2.81 0.00 0.00 179.45 177.33 3hih h LYS 475 N 0.52 0.73 -0.24 1.90 1.57 -1.73 0.10 116.57 119.43 3hih h LYS 475 Ca 0.16 -0.34 -0.02 0.00 -1.87 0.00 0.00 60.65 58.58 3hih h LYS 475 Cb -0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3hih h LYS 475 CO -0.06 0.95 0.06 0.82 -0.57 0.00 0.00 179.45 180.65 3hih h ILE 476 N 0.62 1.21 -0.56 1.86 2.04 -0.65 0.22 117.51 122.24 3hih h ILE 476 Ca 0.07 -0.67 0.07 0.00 1.00 0.00 0.00 64.86 65.33 3hih h ILE 476 Cb 0.84 1.19 -0.06 0.00 -0.74 0.00 0.00 36.82 38.05 3hih h ILE 476 CO 0.07 0.22 0.23 0.74 0.00 0.00 0.00 178.15 179.41 3hih h THR 477 N 0.22 0.84 -0.44 -0.27 2.02 -0.86 0.12 112.91 114.53 3hih h THR 477 Ca 0.08 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 3hih h THR 477 Cb 0.27 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3hih h THR 477 CO 0.00 0.08 0.20 -0.07 0.37 0.00 0.00 175.52 176.10 3hih h LEU 478 N 0.43 0.58 -0.52 2.58 3.38 -0.79 -0.31 115.31 120.67 3hih h LEU 478 Ca 0.27 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 58.13 3hih h LEU 478 Cb 0.28 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3hih h LEU 478 CO -0.25 0.56 0.30 0.25 0.09 0.00 0.00 178.44 179.39 3hih h LEU 479 N 0.57 0.48 -1.00 1.67 6.46 -0.49 -0.39 115.31 122.61 3hih h LEU 479 Ca 0.15 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.88 3hih h LEU 479 Cb 0.14 -0.09 -0.03 0.00 -0.73 0.00 0.00 40.66 39.95 3hih h LEU 479 CO -0.02 0.34 0.26 0.11 -0.62 0.00 0.00 178.44 178.51 3hih h LYS 480 N 0.59 0.98 -0.07 1.25 1.57 -0.62 0.46 116.57 120.74 3hih h LYS 480 Ca 0.21 -0.16 0.04 0.00 -1.87 0.00 0.00 60.65 58.86 3hih h LYS 480 Cb 0.04 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 3hih h LYS 480 CO -0.10 0.80 -0.18 -0.92 -0.57 0.00 0.00 179.45 178.48 3hih h TYR 481 N 0.97 -0.47 -0.63 -1.35 3.20 -0.37 -0.08 116.97 118.24 3hih h TYR 481 Ca 0.23 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.11 3hih h TYR 481 Cb 0.19 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.65 3hih h TYR 481 CO 0.02 -0.26 0.38 0.74 -1.64 0.00 0.00 178.16 177.40 3hih h PHE 482 N -0.26 0.83 -0.57 -3.82 0.04 -0.58 0.31 116.94 112.89 3hih h PHE 482 Ca 0.08 -0.00 0.04 0.00 2.80 0.00 0.00 57.97 60.89 3hih h PHE 482 Cb 0.37 -0.27 -0.05 0.00 2.20 0.00 0.00 35.95 38.20 3hih h PHE 482 CO -0.26 0.57 0.31 -0.09 -0.60 0.00 0.00 178.31 178.23 3hih h ARG 483 N 0.85 0.58 -0.03 1.51 2.43 -0.66 0.18 114.38 119.24 3hih h ARG 483 Ca 0.23 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 3hih h ARG 483 Cb -0.02 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3hih h ARG 483 CO -0.04 0.38 0.00 -0.97 -1.51 0.00 0.00 179.97 177.83 3hih h ASN 484 N 0.59 0.05 -0.24 -3.80 -1.24 -0.61 -1.63 115.58 108.71 3hih h ASN 484 Ca 0.25 -0.28 0.04 0.00 0.71 0.00 0.00 56.30 57.02 3hih h ASN 484 Cb 0.12 -0.01 -0.04 0.00 0.73 0.00 0.00 38.32 39.12 3hih h ASN 484 CO -0.15 0.32 -0.02 0.22 -1.29 0.00 0.00 177.43 176.51 3hih h TYR 485 N -0.22 -0.05 -0.87 0.67 3.20 -0.74 -1.35 116.97 117.62 3hih h TYR 485 Ca 0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3hih h TYR 485 Cb 0.29 0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 3hih h TYR 485 CO 0.02 -0.06 0.55 0.52 -1.64 0.00 0.00 178.16 177.55 3hih h MET 486 N 0.05 1.16 -0.35 1.82 2.86 -0.94 -0.63 114.93 118.90 3hih h MET 486 Ca 0.11 -0.09 -0.10 0.00 -2.06 0.00 0.00 59.70 57.57 3hih h MET 486 Cb 0.16 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 3hih h MET 486 CO -0.21 0.79 -0.18 0.66 1.06 0.00 0.00 176.91 179.03 3hih h SER 487 N 1.19 0.65 0.79 1.22 4.64 -0.77 -2.39 113.55 118.89 3hih h SER 487 Ca 0.32 -0.21 -0.21 0.00 -0.47 0.00 0.00 61.79 61.22 3hih h SER 487 Cb -0.10 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 61.78 3hih h SER 487 CO -0.06 0.84 -1.31 -0.33 -0.87 0.00 0.00 176.83 175.09 3hih h GLU 488 N 0.59 0.00 0.00 4.77 5.08 -0.80 -3.42 114.58 120.79 3hih h GLU 488 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 3hih h GLU 488 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3hih h GLU 488 CO 0.04 0.50 0.00 0.72 -1.00 0.00 0.00 179.01 179.27 3hih n HIS 489 N -3.06 0.00 -4.20 4.33 8.25 -0.28 -5.06 115.22 115.19 3hih n HIS 489 Ca -0.09 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.18 3hih n HIS 489 Cb 0.91 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.90 3hih n HIS 489 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hih s LEU 490 N -0.65 2.32 0.17 2.41 1.43 -0.90 -5.02 118.68 118.44 3hih s LEU 490 Ca 0.00 -0.68 -0.03 0.00 -1.03 0.00 0.00 54.13 52.39 3hih s LEU 490 Cb 0.00 -0.56 -0.05 0.00 0.03 0.00 0.00 46.19 45.61 3hih s LEU 490 CO 0.00 -0.08 0.39 -0.76 0.23 0.00 0.00 176.35 176.13 3hih s LEU 491 N -1.97 4.24 -0.46 1.79 1.43 -1.26 -4.75 118.68 117.69 3hih s LEU 491 Ca 0.02 0.52 -0.26 0.00 -1.03 0.00 0.00 54.13 53.38 3hih s LEU 491 Cb -0.08 -3.26 0.03 0.00 0.03 0.00 0.00 46.19 42.90 3hih s LEU 491 CO 0.03 0.00 0.94 -0.75 0.23 0.00 0.00 176.35 176.80 3hih s LYS 492 N -2.96 3.56 0.29 1.70 2.20 -1.26 -4.70 119.74 118.56 3hih s LYS 492 Ca 0.40 0.20 -0.30 0.00 -0.36 0.00 0.00 55.97 55.91 3hih s LYS 492 Cb -0.12 -3.92 -0.11 0.00 -1.51 0.00 0.00 37.83 32.17 3hih s LYS 492 CO 0.27 -1.22 1.60 0.00 -0.36 0.00 0.00 175.35 175.64 3hih s ALA 493 N 3.78 3.75 -1.29 3.13 0.00 0.26 -2.36 121.76 129.03 3hih s ALA 493 Ca 0.38 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.91 3hih s ALA 493 Cb -0.10 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3hih s ALA 493 CO 0.26 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.45 3hih n GLY 494 N 2.18 0.56 0.30 0.00 0.00 -1.26 -4.66 105.19 102.32 3hih n GLY 494 Ca 0.08 -0.35 0.19 0.00 0.00 0.00 0.00 46.02 45.95 3hih n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hih h ALA 495 N 0.34 1.02 -0.00 4.61 0.00 -1.88 -0.20 119.26 123.16 3hih h ALA 495 Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3hih h ALA 495 Cb 1.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3hih h ALA 495 CO 0.39 0.01 -0.01 0.27 0.00 0.00 0.00 179.25 179.92 3hih n ASN 496 N -3.13 0.09 -4.54 0.00 6.94 -1.26 -4.83 115.26 108.52 3hih n ASN 496 Ca -0.01 -0.73 -0.34 0.00 -0.02 0.00 0.00 54.58 53.48 3hih n ASN 496 Cb 0.20 -0.09 -0.11 0.00 -2.36 0.00 0.00 39.78 37.41 3hih n ASN 496 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3hih s ILE 497 N -2.21 4.20 -0.31 1.53 -1.09 -0.09 -5.08 121.20 118.16 3hih s ILE 497 Ca 0.40 -0.24 -0.19 0.00 -2.23 0.00 0.00 60.65 58.38 3hih s ILE 497 Cb 0.21 -2.87 -0.01 0.00 -1.58 0.00 0.00 42.46 38.22 3hih s ILE 497 CO 0.40 0.47 0.59 -0.89 -1.23 0.00 0.00 174.94 174.29 3hih s THR 498 N 0.44 4.97 0.80 2.92 2.01 -1.26 -5.05 115.64 120.47 3hih s THR 498 Ca -0.01 0.77 -0.14 0.00 0.31 0.00 0.00 61.69 62.62 3hih s THR 498 Cb -0.14 -3.96 0.08 0.00 0.01 0.00 0.00 72.50 68.49 3hih s THR 498 CO 0.02 -0.11 1.21 -2.65 -0.69 0.00 0.00 174.62 172.39 3hih n PRO 499 N 5.80 0.24 -0.97 4.92 -0.02 -1.26 -4.96 135.00 138.76 3hih n PRO 499 Ca -0.02 0.16 -0.31 0.00 -2.02 0.00 0.00 63.50 61.30 3hih n PRO 499 Cb 0.49 -2.44 0.13 0.00 -0.02 0.00 0.00 33.50 31.66 3hih n PRO 499 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3hih s ARG 500 N -4.06 1.54 -0.01 -0.52 1.70 -1.15 -4.91 118.95 111.54 3hih s ARG 500 Ca 0.74 1.47 -0.30 0.00 -0.47 0.00 0.00 55.73 57.17 3hih s ARG 500 Cb -0.30 -1.79 -0.07 0.00 -0.57 0.00 0.00 34.95 32.22 3hih s ARG 500 CO 0.50 -2.23 1.67 -1.83 -1.08 0.00 0.00 175.30 172.33 3hih s GLU 501 N -4.62 4.19 0.77 3.89 -1.05 -1.26 -4.70 118.70 115.91 3hih s GLU 501 Ca 0.66 2.25 -0.12 0.00 -0.15 0.00 0.00 54.97 57.62 3hih s GLU 501 Cb -0.22 -3.87 0.05 0.00 -0.44 0.00 0.00 34.13 29.65 3hih s GLU 501 CO 0.55 -0.81 1.12 0.20 0.95 0.00 0.00 175.26 177.28 3hih s GLY 502 N 3.10 1.61 0.30 -3.83 0.00 -1.26 -5.02 107.32 102.22 3hih s GLY 502 Ca 0.74 -0.42 -0.29 0.00 0.00 0.00 0.00 44.72 44.76 3hih s GLY 502 CO 0.31 0.01 1.26 0.99 0.00 0.00 0.00 173.10 175.68 3hih s ASP 503 N -4.30 6.90 0.53 1.64 -0.00 -1.26 -4.92 116.67 115.25 3hih s ASP 503 Ca 0.60 2.56 0.19 0.00 -0.00 0.00 0.00 52.55 55.91 3hih s ASP 503 Cb -0.12 -2.64 1.33 0.00 -0.00 0.00 0.00 42.92 41.49 3hih s ASP 503 CO 0.52 -0.45 2.11 -0.33 -0.00 0.00 0.00 175.17 177.02 3hih h GLU 504 N 3.75 0.00 -0.63 8.23 3.07 -2.04 -2.19 114.58 124.77 3hih h GLU 504 Ca -0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 3hih h GLU 504 Cb 1.22 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 3hih h GLU 504 CO 0.67 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 179.56 3hih n LEU 505 N -4.46 4.01 -4.58 1.33 4.77 -1.26 -4.98 117.00 111.83 3hih n LEU 505 Ca 0.01 -2.16 -0.41 0.00 -0.03 0.00 0.00 56.01 53.41 3hih n LEU 505 Cb 0.24 -0.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.87 3hih n LEU 505 CO 0.34 0.89 0.49 0.00 -1.33 0.00 0.00 177.39 177.78 3hih n ALA 506 N 1.23 -0.15 -2.72 -1.18 0.00 -0.83 -4.98 120.51 111.89 3hih n ALA 506 Ca 0.23 0.21 -0.37 0.00 0.00 0.00 0.00 53.44 53.51 3hih n ALA 506 Cb 0.67 -2.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.03 3hih n ALA 506 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3hih s ARG 507 N -1.96 3.98 0.05 0.00 0.52 -1.26 -5.05 118.95 115.23 3hih s ARG 507 Ca 0.64 0.07 -0.30 0.00 -0.52 0.00 0.00 55.73 55.62 3hih s ARG 507 Cb -0.56 -3.33 -0.08 0.00 0.52 0.00 0.00 34.95 31.50 3hih s ARG 507 CO 0.56 0.47 1.61 -1.17 0.02 0.00 0.00 175.30 176.79 3hih s LEU 508 N -0.22 4.35 0.70 2.53 2.96 -1.26 -4.98 118.68 122.76 3hih s LEU 508 Ca 0.17 2.40 -0.11 0.00 -0.22 0.00 0.00 54.13 56.36 3hih s LEU 508 Cb -0.13 -3.56 0.01 0.00 0.50 0.00 0.00 46.19 43.01 3hih s LEU 508 CO 0.05 -0.86 1.09 -2.16 -1.32 0.00 0.00 176.35 173.15 3hih s PRO 509 N 2.71 2.90 0.33 0.98 0.04 -1.26 -5.04 135.00 135.67 3hih s PRO 509 Ca 0.72 0.51 0.07 0.00 0.04 0.00 0.00 61.00 62.34 3hih s PRO 509 Cb -0.38 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.07 3hih s PRO 509 CO 0.31 -1.01 -0.04 1.52 0.04 0.00 0.00 177.00 177.82 3hih s TYR 510 N -3.32 2.20 -0.34 0.56 -0.85 -1.26 -4.90 117.35 109.43 3hih s TYR 510 Ca 0.58 -0.68 -0.29 0.00 -0.52 0.00 0.00 57.07 56.16 3hih s TYR 510 Cb -0.11 -1.36 0.01 0.00 0.38 0.00 0.00 41.96 40.88 3hih s TYR 510 CO 0.52 0.36 1.23 -1.17 -1.52 0.00 0.00 175.55 174.97 3hih s LEU 511 N -3.55 3.83 -0.12 -3.49 2.96 -1.26 -0.41 118.68 116.63 3hih s LEU 511 Ca 0.33 1.01 -0.15 0.00 -0.22 0.00 0.00 54.13 55.10 3hih s LEU 511 Cb 0.06 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 43.07 3hih s LEU 511 CO 0.15 -1.09 0.41 -0.09 -1.32 0.00 0.00 176.35 174.41 3hih h ARG 512 N 9.10 -0.01 -3.88 1.98 2.43 -0.97 -3.47 114.38 119.57 3hih h ARG 512 Ca -0.24 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.83 3hih h ARG 512 Cb 1.08 0.00 -0.15 0.00 -0.42 0.00 0.00 29.97 30.49 3hih h ARG 512 CO 1.05 0.49 -0.46 0.99 -1.51 0.00 0.00 179.97 180.54 3hih s THR 513 N -1.97 0.16 0.16 0.20 2.01 -1.05 -5.02 115.64 110.13 3hih s THR 513 Ca -0.10 -1.28 -0.13 0.00 0.31 0.00 0.00 61.69 60.50 3hih s THR 513 Cb -0.01 -1.29 0.01 0.00 0.01 0.00 0.00 72.50 71.22 3hih s THR 513 CO 0.35 -0.71 0.38 -1.66 -0.69 0.00 0.00 174.62 172.30 3hih s TRP 514 N -3.61 0.11 0.23 4.92 1.48 -1.26 -0.76 118.94 120.06 3hih s TRP 514 Ca 0.03 -0.47 -0.22 0.00 -1.06 0.00 0.00 56.10 54.38 3hih s TRP 514 Cb 0.04 0.15 0.04 0.00 -1.16 0.00 0.00 33.47 32.54 3hih s TRP 514 CO -0.09 -0.78 0.74 -0.59 -4.06 0.00 0.00 176.95 172.17 3hih s PHE 515 N -3.90 -0.25 0.04 1.66 -0.12 -0.80 -5.01 117.98 109.59 3hih s PHE 515 Ca 0.11 -0.13 0.07 0.00 -0.05 0.00 0.00 56.93 56.93 3hih s PHE 515 Cb 0.02 0.67 -0.02 0.00 -0.63 0.00 0.00 43.02 43.05 3hih s PHE 515 CO -0.03 -1.09 -0.21 1.03 -0.05 0.00 0.00 175.22 174.87 3hih s ARG 516 N -3.77 1.41 0.34 1.99 0.52 -1.26 -1.05 118.95 117.13 3hih s ARG 516 Ca 0.09 -0.92 0.02 0.00 -0.52 0.00 0.00 55.73 54.40 3hih s ARG 516 Cb -0.04 -1.51 0.02 0.00 0.52 0.00 0.00 34.95 33.94 3hih s ARG 516 CO 0.02 0.39 0.17 0.25 0.02 0.00 0.00 175.30 176.15 3hih n THR 517 N 1.92 0.00 0.26 0.02 -2.24 -0.20 -5.01 114.28 109.03 3hih n THR 517 Ca -0.17 -1.41 0.11 0.00 -2.27 0.00 0.00 64.05 60.31 3hih n THR 517 Cb 0.53 -0.04 0.70 0.00 -2.10 0.00 0.00 70.33 69.43 3hih n THR 517 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3hih h ARG 518 N 0.00 0.00 0.00 -0.78 -0.00 -2.03 -3.30 114.38 108.26 3hih h ARG 518 Ca -0.23 0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.22 3hih h ARG 518 Cb 0.80 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.76 3hih h ARG 518 CO 0.37 0.11 -1.90 0.43 0.00 0.00 0.00 179.97 178.98 3hih n SER 519 N -3.93 0.63 -3.69 7.04 7.64 -1.26 -4.93 113.62 115.12 3hih n SER 519 Ca -0.02 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.76 3hih n SER 519 Cb 0.20 1.80 -0.04 0.00 -1.01 0.00 0.00 64.21 65.16 3hih n SER 519 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hih s ALA 520 N -3.26 -1.01 -0.10 -0.43 0.00 -1.25 -0.68 121.76 115.03 3hih s ALA 520 Ca -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 3hih s ALA 520 Cb 0.12 0.83 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 3hih s ALA 520 CO 0.79 -0.78 -0.07 -1.50 0.00 0.00 0.00 175.76 174.20 3hih s ILE 521 N -3.85 3.68 -0.17 0.00 2.07 -0.34 -1.03 121.20 121.55 3hih s ILE 521 Ca 0.07 -0.47 -0.01 0.00 -1.41 0.00 0.00 60.65 58.83 3hih s ILE 521 Cb -0.01 -2.54 -0.01 0.00 0.13 0.00 0.00 42.46 40.04 3hih s ILE 521 CO -0.05 0.56 -0.11 -0.63 -1.91 0.00 0.00 174.94 172.80 3hih s ILE 522 N -0.35 3.02 -0.18 2.00 1.09 -0.21 -1.01 121.20 125.55 3hih s ILE 522 Ca 0.05 -0.64 0.01 0.00 -1.10 0.00 0.00 60.65 58.97 3hih s ILE 522 Cb -0.12 -2.31 0.04 0.00 -1.06 0.00 0.00 42.46 39.00 3hih s ILE 522 CO 0.02 0.49 -0.12 -0.76 -0.10 0.00 0.00 174.94 174.47 3hih s LEU 523 N 0.95 2.11 -0.33 2.97 1.43 0.12 -1.90 118.68 124.03 3hih s LEU 523 Ca -0.02 -0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 52.23 3hih s LEU 523 Cb -0.15 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.84 3hih s LEU 523 CO -0.01 -0.11 0.16 -2.28 0.23 0.00 0.00 176.35 174.34 3hih s HIS 524 N 1.41 3.19 0.41 0.29 2.46 0.06 -0.65 115.29 122.47 3hih s HIS 524 Ca 0.01 -0.72 -0.04 0.00 0.47 0.00 0.00 55.06 54.79 3hih s HIS 524 Cb -0.15 -2.37 -0.04 0.00 -0.13 0.00 0.00 32.58 29.90 3hih s HIS 524 CO -0.09 -0.52 0.68 -0.51 -2.47 0.00 0.00 174.74 171.83 3hih s LEU 525 N 1.59 3.81 0.00 8.88 1.43 -0.01 -0.34 118.68 134.03 3hih s LEU 525 Ca 0.04 0.76 0.17 0.00 -1.03 0.00 0.00 54.13 54.07 3hih s LEU 525 Cb -0.18 -3.67 0.75 0.00 0.03 0.00 0.00 46.19 43.13 3hih s LEU 525 CO 0.06 -0.44 1.55 -1.54 0.23 0.00 0.00 176.35 176.21 3hih n SER 526 N -1.93 0.00 -0.35 2.29 3.41 0.45 -1.59 113.62 115.91 3hih n SER 526 Ca -0.01 0.47 0.11 0.00 -0.26 0.00 0.00 58.87 59.17 3hih n SER 526 Cb 0.55 -0.49 0.48 0.00 -0.26 0.00 0.00 64.21 64.50 3hih n SER 526 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3hih n ASN 527 N -1.49 1.05 0.00 4.04 2.04 -1.26 -4.90 115.26 114.74 3hih n ASN 527 Ca 0.04 -1.55 0.00 0.00 -0.44 0.00 0.00 54.58 52.63 3hih n ASN 527 Cb 0.20 -0.05 0.00 0.00 -2.53 0.00 0.00 39.78 37.39 3hih n ASN 527 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3hih n GLY 528 N 1.03 1.18 3.76 4.83 0.00 -0.62 -4.91 105.19 110.46 3hih n GLY 528 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 3hih n GLY 528 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hih s SER 529 N -2.52 5.82 -0.09 1.61 0.01 -1.25 -4.55 113.70 112.73 3hih s SER 529 Ca 0.00 2.59 0.03 0.00 1.31 0.00 0.00 55.95 59.87 3hih s SER 529 Cb 0.00 -2.63 0.01 0.00 0.21 0.00 0.00 66.02 63.61 3hih s SER 529 CO 0.00 -1.18 -0.17 -0.69 0.41 0.00 0.00 173.24 171.61 3hih s VAL 530 N -1.38 1.58 -0.10 3.43 1.01 -0.33 -0.83 120.40 123.78 3hih s VAL 530 Ca 0.65 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.93 3hih s VAL 530 Cb -0.36 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 3hih s VAL 530 CO 0.44 0.45 -0.18 -1.58 0.00 0.00 0.00 175.10 174.24 3hih s GLN 531 N 0.64 3.08 -0.17 2.72 0.74 0.17 -0.37 119.66 126.47 3hih s GLN 531 Ca -0.14 -0.77 0.01 0.00 0.05 0.00 0.00 55.36 54.52 3hih s GLN 531 Cb -0.16 -2.45 0.02 0.00 1.10 0.00 0.00 33.01 31.51 3hih s GLN 531 CO 0.04 0.28 -0.20 0.42 -0.55 0.00 0.00 175.29 175.28 3hih s ILE 532 N 0.14 2.02 -0.26 -2.34 1.01 -0.16 -0.70 121.20 120.91 3hih s ILE 532 Ca -0.09 -0.92 -0.06 0.00 0.00 0.00 0.00 60.65 59.57 3hih s ILE 532 Cb -0.15 -1.82 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 3hih s ILE 532 CO 0.06 0.53 0.05 0.20 0.00 0.00 0.00 174.94 175.78 3hih s ASN 533 N 1.19 4.95 -0.13 3.58 0.01 -0.18 -1.11 114.94 123.26 3hih s ASN 533 Ca 0.02 -0.38 -0.19 0.00 -0.71 0.00 0.00 52.86 51.60 3hih s ASN 533 Cb -0.14 -1.87 -0.04 0.00 0.41 0.00 0.00 41.25 39.61 3hih s ASN 533 CO -0.10 -0.07 0.52 -0.36 -1.51 0.00 0.00 177.10 175.57 3hih s PHE 534 N 1.56 3.49 -0.03 2.20 0.08 0.09 -1.20 117.98 124.16 3hih s PHE 534 Ca 0.05 0.91 -0.26 0.00 0.12 0.00 0.00 56.93 57.76 3hih s PHE 534 Cb -0.15 -2.61 -0.20 0.00 -0.57 0.00 0.00 43.02 39.48 3hih s PHE 534 CO 0.02 0.09 1.24 0.74 -0.10 0.00 0.00 175.22 177.21 3hih h PHE 535 N 6.90 0.04 -0.29 0.36 0.04 -1.21 -2.31 116.94 120.46 3hih h PHE 535 Ca -0.39 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.42 3hih h PHE 535 Cb 1.17 -0.01 -0.05 0.00 2.20 0.00 0.00 35.95 39.27 3hih h PHE 535 CO 0.64 0.55 -0.02 1.96 -0.60 0.00 0.00 178.31 180.84 3hih h GLN 536 N -0.48 0.05 -0.07 1.51 7.50 -1.94 -3.26 115.11 118.42 3hih h GLN 536 Ca 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3hih h GLN 536 Cb 0.55 -0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.06 3hih h GLN 536 CO 0.00 0.04 0.00 -0.40 -1.50 0.00 0.00 178.83 176.97 3hih n ASP 537 N -5.19 1.91 -0.70 1.46 5.68 -1.26 -4.98 116.55 113.47 3hih n ASP 537 Ca -0.00 -1.50 -0.09 0.00 -0.50 0.00 0.00 54.79 52.69 3hih n ASP 537 Cb 0.16 -0.04 -0.04 0.00 -1.14 0.00 0.00 41.12 40.06 3hih n ASP 537 CO 0.00 0.00 0.00 1.41 -1.33 0.00 0.00 177.20 177.28 3hih n HIS 538 N 0.38 0.00 -1.74 2.11 8.25 -0.87 -4.45 115.22 118.91 3hih n HIS 538 Ca 0.06 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.20 3hih n HIS 538 Cb 0.24 -2.25 0.03 0.00 1.12 0.00 0.00 29.99 29.14 3hih n HIS 538 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 3hih s THR 539 N -2.01 4.04 -0.07 1.59 -4.23 -1.24 -4.80 115.64 108.92 3hih s THR 539 Ca 0.00 0.74 -0.09 0.00 -1.18 0.00 0.00 61.69 61.16 3hih s THR 539 Cb 0.00 -3.44 0.02 0.00 1.34 0.00 0.00 72.50 70.43 3hih s THR 539 CO 0.00 -0.78 0.24 -0.54 -0.54 0.00 0.00 174.62 173.00 3hih s LYS 540 N -4.78 0.36 -0.08 3.99 1.02 -0.54 -0.74 119.74 118.97 3hih s LYS 540 Ca 0.59 0.18 0.02 0.00 0.02 0.00 0.00 55.97 56.78 3hih s LYS 540 Cb -0.14 0.17 -0.02 0.00 -0.52 0.00 0.00 37.83 37.31 3hih s LYS 540 CO 0.50 -0.06 -0.12 -0.51 -0.92 0.00 0.00 175.35 174.23 3hih s LEU 541 N -0.24 2.82 -0.22 3.17 1.43 -0.27 -0.43 118.68 124.93 3hih s LEU 541 Ca -0.04 -0.21 0.02 0.00 -1.03 0.00 0.00 54.13 52.87 3hih s LEU 541 Cb -0.03 -1.60 0.05 0.00 0.03 0.00 0.00 46.19 44.63 3hih s LEU 541 CO 0.01 0.28 -0.12 -0.63 0.23 0.00 0.00 176.35 176.12 3hih s ILE 542 N -0.34 1.91 -0.20 -0.59 1.01 0.46 -0.99 121.20 122.45 3hih s ILE 542 Ca 0.04 -1.26 -0.07 0.00 0.00 0.00 0.00 60.65 59.36 3hih s ILE 542 Cb -0.13 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 3hih s ILE 542 CO 0.02 0.13 0.05 -0.76 0.00 0.00 0.00 174.94 174.38 3hih s LEU 543 N 1.26 3.59 -0.24 2.97 1.43 0.49 -0.39 118.68 127.79 3hih s LEU 543 Ca -0.04 -0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3hih s LEU 543 Cb -0.17 -1.92 0.06 0.00 0.03 0.00 0.00 46.19 44.18 3hih s LEU 543 CO -0.08 0.10 -0.10 0.00 0.23 0.00 0.00 176.35 176.51 3hih h PRO 545 N 7.84 0.00 -0.30 0.00 0.13 -1.83 0.11 132.00 137.96 3hih h PRO 545 Ca -0.21 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.77 3hih h PRO 545 Cb 1.06 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 3hih h PRO 545 CO 0.46 0.07 -0.40 -0.07 -0.23 0.00 0.00 178.00 177.83 3hih h LEU 546 N 0.00 0.87 0.00 1.56 4.07 -1.93 -2.82 115.31 117.05 3hih h LEU 546 Ca -0.00 -0.50 0.00 0.00 0.08 0.00 0.00 57.88 57.46 3hih h LEU 546 Cb 0.87 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.36 3hih h LEU 546 CO 0.01 1.19 -0.34 0.23 -1.08 0.00 0.00 178.44 178.46 3hih n MET 547 N -4.14 0.23 -3.90 1.13 2.81 -1.18 -4.97 117.12 107.10 3hih n MET 547 Ca -0.04 0.12 -0.33 0.00 -1.81 0.00 0.00 57.70 55.64 3hih n MET 547 Cb 0.54 -1.70 0.01 0.00 -0.71 0.00 0.00 33.22 31.37 3hih n MET 547 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hih n ALA 548 N -1.76 -2.36 -2.35 3.04 0.00 0.30 -4.86 120.51 112.52 3hih n ALA 548 Ca 0.05 -0.34 -0.15 0.00 0.00 0.00 0.00 53.44 53.00 3hih n ALA 548 Cb 0.42 -2.75 -0.10 0.00 0.00 0.00 0.00 19.45 17.02 3hih n ALA 548 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hih s ALA 549 N -3.70 1.33 -0.05 0.00 0.00 -0.57 -1.08 121.76 117.69 3hih s ALA 549 Ca 0.30 -1.37 0.02 0.00 0.00 0.00 0.00 51.96 50.91 3hih s ALA 549 Cb -0.13 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.04 3hih s ALA 549 CO 0.90 -0.06 -0.09 0.54 0.00 0.00 0.00 175.76 177.06 3hih s VAL 550 N -2.91 0.87 -0.21 0.00 0.11 -0.19 -0.91 120.40 117.17 3hih s VAL 550 Ca 0.12 -0.33 -0.09 0.00 -2.93 0.00 0.00 61.98 58.74 3hih s VAL 550 Cb 0.00 -0.82 -0.05 0.00 -1.53 0.00 0.00 36.38 33.98 3hih s VAL 550 CO 0.00 0.29 0.12 -0.89 -3.33 0.00 0.00 175.10 171.29 3hih s THR 551 N 0.69 5.20 -0.19 5.04 2.01 0.48 -0.51 115.64 128.36 3hih s THR 551 Ca -0.12 0.12 -0.02 0.00 0.31 0.00 0.00 61.69 61.98 3hih s THR 551 Cb -0.15 -3.38 -0.00 0.00 0.01 0.00 0.00 72.50 68.98 3hih s THR 551 CO 0.02 0.42 -0.10 -0.47 -0.69 0.00 0.00 174.62 173.80 3hih s TYR 552 N 0.55 2.88 -0.29 4.92 5.04 -0.15 -0.41 117.35 129.90 3hih s TYR 552 Ca 0.06 -1.01 -0.09 0.00 -2.44 0.00 0.00 57.07 53.60 3hih s TYR 552 Cb -0.12 -2.00 -0.02 0.00 0.35 0.00 0.00 41.96 40.17 3hih s TYR 552 CO 0.00 -0.51 0.12 0.42 -1.34 0.00 0.00 175.55 174.24 3hih s ILE 553 N 1.14 4.53 0.72 3.14 1.01 0.42 -1.86 121.20 130.30 3hih s ILE 553 Ca 0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 60.65 60.31 3hih s ILE 553 Cb -0.14 -3.23 0.15 0.00 0.01 0.00 0.00 42.46 39.25 3hih s ILE 553 CO -0.03 0.18 0.98 -0.90 0.00 0.00 0.00 174.94 175.17 3hih n ASP 554 N 4.96 0.78 0.13 3.58 5.68 -0.35 -1.47 116.55 129.86 3hih n ASP 554 Ca -0.15 -1.78 0.18 0.00 -0.50 0.00 0.00 54.79 52.54 3hih n ASP 554 Cb 0.50 -0.68 0.76 0.00 -1.14 0.00 0.00 41.12 40.56 3hih n ASP 554 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3hih h GLU 555 N 0.00 0.00 -0.54 0.11 -0.00 -1.87 -0.20 114.58 112.08 3hih h GLU 555 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.04 3hih h GLU 555 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.80 3hih h GLU 555 CO 0.29 0.00 0.00 0.36 -0.00 0.00 0.00 179.01 179.66 3hih n LYS 556 N -4.00 3.88 -0.97 1.06 2.85 -1.26 -4.95 118.16 114.77 3hih n LYS 556 Ca 0.04 -2.90 0.00 0.00 -1.05 0.00 0.00 58.31 54.40 3hih n LYS 556 Cb 0.43 -1.95 0.00 0.00 -0.65 0.00 0.00 35.03 32.87 3hih n LYS 556 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3hih n ARG 557 N 0.67 -0.87 -2.18 -1.58 1.74 -0.09 -5.00 116.66 109.35 3hih n ARG 557 Ca 0.25 0.22 -0.41 0.00 -0.77 0.00 0.00 57.85 57.14 3hih n ARG 557 Cb 0.95 -3.93 -0.03 0.00 -1.02 0.00 0.00 32.46 28.43 3hih n ARG 557 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3hih s ASP 558 N -2.06 6.86 -0.13 0.55 -1.08 -1.26 -4.77 116.67 114.77 3hih s ASP 558 Ca 0.00 2.58 0.02 0.00 -0.52 0.00 0.00 52.55 54.63 3hih s ASP 558 Cb 0.00 -2.64 0.01 0.00 -1.46 0.00 0.00 42.92 38.84 3hih s ASP 558 CO 0.00 -0.48 -0.19 0.12 0.52 0.00 0.00 175.17 175.14 3hih s PHE 559 N -0.88 2.37 0.02 -5.34 2.19 -1.26 -1.22 117.98 113.87 3hih s PHE 559 Ca 0.50 -1.20 0.03 0.00 0.33 0.00 0.00 56.93 56.59 3hih s PHE 559 Cb -0.38 -1.66 -0.01 0.00 -1.31 0.00 0.00 43.02 39.66 3hih s PHE 559 CO 0.48 -0.58 -0.10 1.03 1.83 0.00 0.00 175.22 177.88 3hih s ARG 560 N 0.97 0.75 -0.11 10.12 1.81 -0.78 -5.00 118.95 126.72 3hih s ARG 560 Ca -0.05 -0.55 0.02 0.00 -1.72 0.00 0.00 55.73 53.44 3hih s ARG 560 Cb -0.15 -0.71 -0.01 0.00 -0.45 0.00 0.00 34.95 33.64 3hih s ARG 560 CO -0.03 0.18 -0.20 0.99 -0.68 0.00 0.00 175.30 175.56 3hih s THR 561 N -0.63 2.46 0.07 0.02 2.01 -1.26 -0.98 115.64 117.33 3hih s THR 561 Ca 0.00 -0.88 0.07 0.00 0.31 0.00 0.00 61.69 61.20 3hih s THR 561 Cb -0.06 -1.98 -0.03 0.00 0.01 0.00 0.00 72.50 70.44 3hih s THR 561 CO 0.00 0.55 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.97 3hih s TYR 562 N 0.35 1.73 -0.02 4.92 2.02 0.33 -1.27 117.35 125.41 3hih s TYR 562 Ca -0.16 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 55.85 3hih s TYR 562 Cb -0.17 -0.99 -0.03 0.00 -0.40 0.00 0.00 41.96 40.37 3hih s TYR 562 CO 0.07 0.14 1.10 1.03 -1.57 0.00 0.00 175.55 176.32 3hih s ARG 563 N -1.53 4.44 0.22 -0.62 0.52 -0.24 -1.02 118.95 120.72 3hih s ARG 563 Ca 0.06 1.57 -0.09 0.00 -0.52 0.00 0.00 55.73 56.75 3hih s ARG 563 Cb -0.09 -3.48 0.20 0.00 0.52 0.00 0.00 34.95 32.10 3hih s ARG 563 CO 0.03 -0.27 1.88 -0.07 0.02 0.00 0.00 175.30 176.89 3hih h LEU 564 N 7.46 0.88 -1.54 2.53 3.38 -1.44 -1.63 115.31 124.94 3hih h LEU 564 Ca -0.37 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.57 3hih h LEU 564 Cb 1.19 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3hih h LEU 564 CO 0.82 0.62 0.07 0.77 0.09 0.00 0.00 178.44 180.82 3hih h SER 565 N 1.03 0.33 1.33 -0.43 4.64 -1.92 -2.37 113.55 116.17 3hih h SER 565 Ca 0.30 -0.03 -0.11 0.00 -0.47 0.00 0.00 61.79 61.48 3hih h SER 565 Cb -0.06 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 3hih h SER 565 CO -0.09 0.34 -0.54 -0.07 -0.87 0.00 0.00 176.83 175.60 3hih h LEU 566 N 0.37 0.00 -1.21 5.97 3.38 -1.68 -2.72 115.31 119.42 3hih h LEU 566 Ca 0.09 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3hih h LEU 566 Cb 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3hih h LEU 566 CO -0.01 0.54 0.32 -0.07 0.09 0.00 0.00 178.44 179.32 3hih h LEU 567 N 0.00 0.78 -0.82 1.67 3.38 -0.84 -0.40 115.31 119.08 3hih h LEU 567 Ca -0.01 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 57.93 3hih h LEU 567 Cb 1.35 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.86 3hih h LEU 567 CO 0.07 0.64 0.52 -0.33 0.09 0.00 0.00 178.44 179.44 3hih h GLU 568 N 0.87 0.99 0.03 1.13 5.08 -1.20 -0.10 114.58 121.38 3hih h GLU 568 Ca 0.22 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 3hih h GLU 568 Cb 0.06 -0.22 0.01 0.00 0.50 0.00 0.00 28.75 29.09 3hih h GLU 568 CO -0.03 0.65 -0.42 1.49 -1.00 0.00 0.00 179.01 179.70 3hih h GLU 569 N 1.02 0.24 0.00 2.33 4.81 -1.29 -3.38 114.58 118.30 3hih h GLU 569 Ca 0.33 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3hih h GLU 569 Cb 0.01 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.48 3hih h GLU 569 CO -0.11 1.04 -1.57 0.66 -0.73 0.00 0.00 179.01 178.29 3hih n TYR 570 N -4.37 0.01 0.00 0.92 4.01 -0.19 -5.04 117.16 112.50 3hih n TYR 570 Ca -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 3hih n TYR 570 Cb 0.60 -0.30 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 3hih n TYR 570 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hih n GLY 571 N 1.36 0.24 3.36 2.72 0.00 -0.05 -0.22 105.19 112.59 3hih n GLY 571 Ca -0.01 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.07 3hih n GLY 571 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hih h LYS 574 N -1.33 0.03 0.34 0.00 -0.00 -1.95 -1.12 116.57 112.53 3hih h LYS 574 Ca -0.45 -0.01 -0.02 0.00 -0.00 0.00 0.00 60.65 60.18 3hih h LYS 574 Cb 1.29 -0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.52 3hih h LYS 574 CO 0.43 0.28 -0.16 0.93 -0.00 0.00 0.00 179.45 180.92 3hih h GLU 575 N 0.03 -0.43 -0.64 0.07 3.07 -1.99 0.25 114.58 114.92 3hih h GLU 575 Ca 0.00 0.03 -0.08 0.00 -0.50 0.00 0.00 59.36 58.81 3hih h GLU 575 Cb 0.45 0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 3hih h GLU 575 CO 0.03 -0.28 0.08 1.25 -1.40 0.00 0.00 179.01 178.69 3hih h LEU 576 N -0.47 1.04 -0.58 1.33 5.85 -1.87 -2.22 115.31 118.39 3hih h LEU 576 Ca -0.05 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.46 3hih h LEU 576 Cb 0.36 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 3hih h LEU 576 CO 0.08 1.05 0.30 0.00 -0.34 0.00 0.00 178.44 179.53 3hih h ALA 577 N 1.03 0.76 -0.58 1.25 0.00 -1.05 0.28 119.26 120.95 3hih h ALA 577 Ca 0.19 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3hih h ALA 577 Cb 0.47 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3hih h ALA 577 CO 0.02 -0.05 -0.05 1.03 0.00 0.00 0.00 179.25 180.20 3hih h SER 578 N 0.56 1.06 0.17 0.00 0.87 -0.72 -1.74 113.55 113.74 3hih h SER 578 Ca 0.26 -0.33 -0.09 0.00 -1.23 0.00 0.00 61.79 60.41 3hih h SER 578 Cb 0.18 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 3hih h SER 578 CO -0.18 1.13 -0.33 0.03 -0.53 0.00 0.00 176.83 176.95 3hih h ARG 579 N 0.96 0.25 -0.30 2.24 3.08 -0.95 -2.17 114.38 117.48 3hih h ARG 579 Ca 0.16 -0.10 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 3hih h ARG 579 Cb 0.62 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 3hih h ARG 579 CO 0.04 0.55 -0.25 -0.07 -1.07 0.00 0.00 179.97 179.17 3hih h LEU 580 N 0.22 0.59 -0.47 3.04 3.38 -0.70 0.11 115.31 121.47 3hih h LEU 580 Ca 0.03 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.79 3hih h LEU 580 Cb 0.69 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3hih h LEU 580 CO 0.05 0.83 0.30 0.03 0.09 0.00 0.00 178.44 179.74 3hih h ARG 581 N 0.51 0.63 -0.46 1.13 3.08 -0.99 -2.26 114.38 116.03 3hih h ARG 581 Ca 0.07 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3hih h ARG 581 Cb 0.71 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 3hih h ARG 581 CO 0.05 0.44 0.25 -0.92 -1.07 0.00 0.00 179.97 178.73 3hih h TYR 582 N 0.64 0.63 -0.77 3.04 3.20 -1.19 -2.51 116.97 120.01 3hih h TYR 582 Ca 0.17 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.14 3hih h TYR 582 Cb -0.04 -0.20 -0.08 0.00 1.54 0.00 0.00 36.73 37.95 3hih h TYR 582 CO -0.04 0.47 0.38 0.00 -1.64 0.00 0.00 178.16 177.33 3hih h ALA 583 N 1.10 1.09 -0.75 1.82 0.00 -0.67 -1.67 119.26 120.19 3hih h ALA 583 Ca 0.16 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3hih h ALA 583 Cb 0.05 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3hih h ALA 583 CO -0.03 -0.08 0.46 -0.09 0.00 0.00 0.00 179.25 179.51 3hih h ARG 584 N 0.59 1.01 -0.79 0.00 1.12 -0.96 0.90 114.38 116.26 3hih h ARG 584 Ca 0.40 -0.09 -0.02 0.00 -1.11 0.00 0.00 59.98 59.15 3hih h ARG 584 Cb 0.49 -0.21 -0.04 0.00 -0.01 0.00 0.00 29.97 30.20 3hih h ARG 584 CO -0.32 0.71 0.40 1.15 -3.11 0.00 0.00 179.97 178.81 3hih h THR 585 N 1.02 1.24 -0.58 0.20 2.02 -1.26 -0.32 112.91 115.23 3hih h THR 585 Ca 0.27 -0.65 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 3hih h THR 585 Cb -0.04 0.23 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 3hih h THR 585 CO -0.05 0.28 0.09 0.24 0.37 0.00 0.00 175.52 176.46 3hih h MET 586 N 1.11 0.97 -0.15 6.66 2.86 -0.63 -1.51 114.93 124.23 3hih h MET 586 Ca 0.27 -0.26 -0.08 0.00 -2.06 0.00 0.00 59.70 57.58 3hih h MET 586 Cb 0.08 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.62 3hih h MET 586 CO -0.04 0.92 -0.25 0.28 1.06 0.00 0.00 176.91 178.88 3hih h VAL 587 N 0.87 1.24 -0.50 -2.22 2.07 -0.57 -0.86 116.25 116.28 3hih h VAL 587 Ca 0.18 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.52 3hih h VAL 587 Cb 0.42 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 3hih h VAL 587 CO 0.01 0.35 0.16 0.44 0.02 0.00 0.00 177.57 178.55 3hih h ASP 588 N 0.24 0.73 -0.41 0.57 3.32 -0.48 -1.71 116.42 118.68 3hih h ASP 588 Ca 0.04 -0.21 0.05 0.00 0.02 0.00 0.00 57.03 56.93 3hih h ASP 588 Cb 0.59 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 3hih h ASP 588 CO 0.04 0.74 0.17 0.11 -1.72 0.00 0.00 179.24 178.58 3hih h LYS 589 N 0.68 0.33 -0.40 3.56 1.57 -0.98 -0.87 116.57 120.46 3hih h LYS 589 Ca 0.16 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 3hih h LYS 589 Cb 0.27 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 3hih h LYS 589 CO -0.01 0.22 0.17 -0.07 -0.57 0.00 0.00 179.45 179.19 3hih h LEU 590 N 0.34 0.21 -1.13 2.94 3.38 -0.96 -2.07 115.31 118.02 3hih h LEU 590 Ca 0.19 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 3hih h LEU 590 Cb 0.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3hih h LEU 590 CO -0.17 0.16 0.42 -0.07 0.09 0.00 0.00 178.44 178.86 3hih h LEU 591 N 0.34 0.90 0.02 1.67 3.38 -0.92 -3.26 115.31 117.45 3hih h LEU 591 Ca 0.18 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 3hih h LEU 591 Cb 0.13 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 40.66 3hih h LEU 591 CO -0.16 0.72 -0.35 0.77 0.09 0.00 0.00 178.44 179.51 3hih h SER 592 N 1.03 0.27 0.00 -0.43 4.64 -0.95 -3.49 113.55 114.61 3hih h SER 592 Ca 0.26 -0.84 0.00 0.00 -0.47 0.00 0.00 61.79 60.75 3hih h SER 592 Cb 0.01 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3hih h SER 592 CO -0.04 1.07 0.00 -1.54 -0.87 0.00 0.00 176.83 175.45