#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmi s THR 389 N 0.00 0.06 0.23 6.66 -1.32 -1.26 -4.33 115.64 115.68 1xmi s THR 389 Ca 0.00 -0.50 0.10 0.00 -1.21 0.00 0.00 61.69 60.08 1xmi s THR 389 Cb 0.00 -1.03 -0.04 0.00 -1.51 0.00 0.00 72.50 69.91 1xmi s THR 389 CO 0.00 -0.28 -0.13 0.28 -2.21 0.00 0.00 174.62 172.28 1xmi s THR 390 N -2.97 2.88 0.28 5.08 -1.32 -0.83 -4.90 115.64 113.86 1xmi s THR 390 Ca -0.02 -2.00 -0.21 0.00 -1.21 0.00 0.00 61.69 58.25 1xmi s THR 390 Cb 0.00 -2.47 -0.09 0.00 -1.51 0.00 0.00 72.50 68.44 1xmi s THR 390 CO -0.06 -0.25 0.80 -0.70 -2.21 0.00 0.00 174.62 172.20 1xmi s GLU 391 N -3.17 4.30 -0.18 7.08 2.12 -1.26 -4.06 118.70 123.53 1xmi s GLU 391 Ca 0.27 0.98 0.01 0.00 0.36 0.00 0.00 54.97 56.59 1xmi s GLU 391 Cb -0.07 -2.74 0.03 0.00 0.26 0.00 0.00 34.13 31.61 1xmi s GLU 391 CO 0.15 0.30 -0.14 0.08 -0.54 0.00 0.00 175.26 175.11 1xmi s VAL 392 N -1.66 1.74 -0.03 3.70 1.01 -0.15 -4.18 120.40 120.82 1xmi s VAL 392 Ca 0.48 -0.91 0.07 0.00 0.00 0.00 0.00 61.98 61.62 1xmi s VAL 392 Cb -0.16 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.51 1xmi s VAL 392 CO 0.21 0.33 -0.24 -0.69 0.00 0.00 0.00 175.10 174.71 1xmi s VAL 393 N 1.39 2.17 -0.06 2.92 1.01 0.66 -0.87 120.40 127.61 1xmi s VAL 393 Ca 0.02 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.95 1xmi s VAL 393 Cb -0.15 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.49 1xmi s VAL 393 CO -0.10 0.58 -0.07 -0.04 0.00 0.00 0.00 175.10 175.47 1xmi s MET 394 N -0.50 1.16 -0.20 2.72 -1.94 -0.24 -0.37 119.30 119.92 1xmi s MET 394 Ca 0.06 -0.20 0.01 0.00 -1.71 0.00 0.00 55.69 53.85 1xmi s MET 394 Cb -0.11 -1.09 0.04 0.00 2.01 0.00 0.00 34.83 35.68 1xmi s MET 394 CO 0.00 -0.08 -0.11 -1.21 -0.01 0.00 0.00 175.02 173.62 1xmi s GLU 395 N 0.97 2.08 -1.43 2.03 2.02 0.14 -2.42 118.70 122.09 1xmi s GLU 395 Ca -0.10 -0.88 -0.11 0.00 0.02 0.00 0.00 54.97 53.90 1xmi s GLU 395 Cb -0.14 -2.46 0.01 0.00 0.10 0.00 0.00 34.13 31.64 1xmi s GLU 395 CO 0.00 -0.43 0.27 0.09 0.02 0.00 0.00 175.26 175.21 1xmi n ASN 396 N 4.66 -0.84 -4.64 -0.19 4.13 -1.12 -1.58 115.26 115.68 1xmi n ASN 396 Ca -0.15 -1.25 -0.40 0.00 1.68 0.00 0.00 54.58 54.46 1xmi n ASN 396 Cb 0.46 -1.82 -0.07 0.00 -1.54 0.00 0.00 39.78 36.81 1xmi n ASN 396 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1xmi s VAL 397 N -4.07 5.06 0.01 2.41 1.01 -0.99 -3.39 120.40 120.45 1xmi s VAL 397 Ca 0.16 1.01 0.08 0.00 0.00 0.00 0.00 61.98 63.22 1xmi s VAL 397 Cb -0.08 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 1xmi s VAL 397 CO 0.98 0.12 -0.24 -0.89 0.00 0.00 0.00 175.10 175.06 1xmi s THR 398 N 1.99 1.95 -0.04 3.92 2.01 -1.02 -1.21 115.64 123.24 1xmi s THR 398 Ca 0.24 -1.18 -0.16 0.00 0.31 0.00 0.00 61.69 60.91 1xmi s THR 398 Cb -0.16 -1.65 0.03 0.00 0.01 0.00 0.00 72.50 70.74 1xmi s THR 398 CO 0.09 0.43 0.35 0.00 -0.69 0.00 0.00 174.62 174.81 1xmi s ALA 399 N -0.68 -0.88 -0.03 7.40 0.00 0.20 -1.14 121.76 126.62 1xmi s ALA 399 Ca 0.10 0.54 0.07 0.00 0.00 0.00 0.00 51.96 52.67 1xmi s ALA 399 Cb -0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 1xmi s ALA 399 CO 0.00 -0.25 -0.24 -0.06 0.00 0.00 0.00 175.76 175.21 1xmi s PHE 400 N -1.02 2.20 0.13 0.00 0.40 -1.26 -0.77 117.98 117.66 1xmi s PHE 400 Ca -0.11 -0.51 -0.11 0.00 -0.60 0.00 0.00 56.93 55.60 1xmi s PHE 400 Cb -0.04 -1.43 -0.08 0.00 0.51 0.00 0.00 43.02 41.98 1xmi s PHE 400 CO 0.04 -0.10 1.41 -1.49 0.70 0.00 0.00 175.22 175.78 1xmi h TRP 401 N 5.75 1.09 -3.10 0.36 4.06 -1.92 -3.42 115.95 118.77 1xmi h TRP 401 Ca -0.38 -0.39 -0.58 0.00 2.06 0.00 0.00 58.89 59.61 1xmi h TRP 401 Cb 1.14 -0.20 -0.06 0.00 -1.00 0.00 0.00 29.16 29.04 1xmi h TRP 401 CO 0.41 1.22 0.83 -1.21 -3.56 0.00 0.00 178.44 176.12 1xmi s GLU 402 N -4.12 4.21 0.44 0.49 8.01 -1.26 -4.92 118.70 121.54 1xmi s GLU 402 Ca -0.11 1.34 0.13 0.00 0.01 0.00 0.00 54.97 56.35 1xmi s GLU 402 Cb 0.10 -3.69 0.99 0.00 -4.31 0.00 0.00 34.13 27.23 1xmi s GLU 402 CO 0.89 -0.71 2.01 0.93 0.01 0.00 0.00 175.26 178.39 1xmi h GLU 403 N 7.75 0.09 -0.57 1.61 5.08 -2.00 -2.73 114.58 123.80 1xmi h GLU 403 Ca -0.21 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.06 1xmi h GLU 403 Cb 1.07 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1xmi h GLU 403 CO 0.99 0.20 0.05 0.78 -1.00 0.00 0.00 179.01 180.04 1xmi h GLY 404 N 0.49 1.05 2.00 -3.84 0.00 -1.97 -2.35 103.07 98.44 1xmi h GLY 404 Ca 0.02 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.55 1xmi h GLY 404 CO 0.01 0.68 -0.35 0.74 0.00 0.00 0.00 176.54 177.62 1xmi h PHE 405 N 0.86 0.00 -0.21 5.60 0.05 -1.91 -3.00 116.94 118.33 1xmi h PHE 405 Ca 0.17 0.00 -0.08 0.00 3.82 0.00 0.00 57.97 61.88 1xmi h PHE 405 Cb 0.47 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.42 1xmi h PHE 405 CO 0.03 0.35 -0.18 0.78 -0.18 0.00 0.00 178.31 179.11 1xmi h GLY 406 N 2.71 0.54 1.66 -1.45 0.00 -1.33 -3.03 103.07 102.17 1xmi h GLY 406 Ca -0.00 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 1xmi h GLY 406 CO 0.05 0.48 -0.05 0.83 0.00 0.00 0.00 176.54 177.85 1xmi h GLU 407 N 0.18 0.42 0.00 4.80 4.39 -1.43 -1.97 114.58 120.96 1xmi h GLU 407 Ca 0.04 -0.09 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 1xmi h GLU 407 Cb 0.72 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 1xmi h GLU 407 CO 0.05 0.49 -0.25 -0.07 -1.16 0.00 0.00 179.01 178.07 1xmi h LEU 408 N 0.40 0.00 -0.05 1.33 3.38 -1.55 -3.24 115.31 115.59 1xmi h LEU 408 Ca 0.09 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.84 1xmi h LEU 408 Cb 0.34 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.11 1xmi h LEU 408 CO 0.01 0.25 -0.82 -0.26 0.09 0.00 0.00 178.44 177.71 1xmi h PHE 409 N 0.00 0.92 -0.17 1.13 0.04 -1.23 -3.39 116.94 114.23 1xmi h PHE 409 Ca -0.00 -0.46 -0.71 0.00 2.80 0.00 0.00 57.97 59.59 1xmi h PHE 409 Cb 0.53 -0.12 -0.05 0.00 2.20 0.00 0.00 35.95 38.51 1xmi h PHE 409 CO 0.00 1.29 3.08 -0.85 -0.60 0.00 0.00 178.31 181.23 1xmi n GLU 410 N -4.00 3.05 0.00 1.51 0.00 -1.17 -5.04 120.64 114.99 1xmi n GLU 410 Ca -0.10 -2.68 0.00 0.00 0.00 0.00 0.00 57.16 54.39 1xmi n GLU 410 Cb 0.77 -3.19 0.00 0.00 0.00 0.00 0.00 31.44 29.02 1xmi n GLU 410 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 1xmi n ASP 426 N 5.52 0.00 -0.05 -1.84 -0.08 -1.26 -5.00 116.55 113.85 1xmi n ASP 426 Ca 0.53 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.61 1xmi n ASP 426 Cb 0.37 0.00 -0.13 0.00 2.34 0.00 0.00 41.12 43.70 1xmi n ASP 426 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1xmi n SER 427 N 0.00 2.06 -4.84 1.67 2.88 -1.26 -4.96 113.62 109.17 1xmi n SER 427 Ca 0.00 0.11 -0.32 0.00 -1.33 0.00 0.00 58.87 57.33 1xmi n SER 427 Cb 0.00 -0.72 -0.06 0.00 -0.75 0.00 0.00 64.21 62.68 1xmi n SER 427 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1xmi s LEU 428 N -6.93 3.98 0.35 2.46 1.02 -1.26 -5.04 118.68 113.26 1xmi s LEU 428 Ca -0.27 1.39 -0.27 0.00 0.02 0.00 0.00 54.13 55.00 1xmi s LEU 428 Cb 0.08 -4.22 -0.09 0.00 0.02 0.00 0.00 46.19 41.97 1xmi s LEU 428 CO 0.70 -0.29 1.23 -0.55 0.02 0.00 0.00 176.35 177.46 1xmi s SER 429 N -2.38 6.73 0.07 2.29 0.15 -1.26 -5.05 113.70 114.26 1xmi s SER 429 Ca 0.56 2.51 -0.09 0.00 0.70 0.00 0.00 55.95 59.63 1xmi s SER 429 Cb -0.10 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 1xmi s SER 429 CO 0.18 -0.54 0.20 0.72 1.20 0.00 0.00 173.24 175.00 1xmi s PHE 430 N -1.24 0.10 0.33 3.44 -0.12 -1.26 -5.17 117.98 114.06 1xmi s PHE 430 Ca 0.51 -0.46 0.10 0.00 -0.05 0.00 0.00 56.93 57.04 1xmi s PHE 430 Cb -0.35 -0.04 -0.06 0.00 -0.63 0.00 0.00 43.02 41.94 1xmi s PHE 430 CO 0.46 -0.51 -0.12 0.45 -0.05 0.00 0.00 175.22 175.45 1xmi s SER 431 N -2.59 3.72 -0.44 1.98 0.15 -1.26 -5.10 113.70 110.16 1xmi s SER 431 Ca 0.01 -1.14 0.07 0.00 0.70 0.00 0.00 55.95 55.60 1xmi s SER 431 Cb 0.03 -0.35 0.26 0.00 -1.71 0.00 0.00 66.02 64.25 1xmi s SER 431 CO -0.09 -0.14 0.74 -3.20 1.20 0.00 0.00 173.24 171.75 1xmi n ASN 432 N -0.75 -1.26 0.23 5.45 4.05 -1.26 -4.99 115.26 116.73 1xmi n ASN 432 Ca -0.05 -3.05 0.11 0.00 0.45 0.00 0.00 54.58 52.03 1xmi n ASN 432 Cb 0.62 0.60 0.53 0.00 1.23 0.00 0.00 39.78 42.77 1xmi n ASN 432 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 177.26 173.95 1xmi h PHE 433 N 3.84 0.00 0.00 1.20 0.04 -1.99 -3.00 116.94 117.03 1xmi h PHE 433 Ca -0.03 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1xmi h PHE 433 Cb 0.97 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.12 1xmi h PHE 433 CO 0.22 0.20 0.00 -1.13 -0.60 0.00 0.00 178.31 177.00 1xmi n SER 434 N -3.44 0.15 0.27 2.17 3.41 -1.26 -2.06 113.62 112.86 1xmi n SER 434 Ca -0.00 0.54 0.17 0.00 -0.26 0.00 0.00 58.87 59.32 1xmi n SER 434 Cb 0.38 -0.57 0.65 0.00 -0.26 0.00 0.00 64.21 64.41 1xmi n SER 434 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1xmi h LEU 435 N 0.00 0.00 -1.54 1.04 3.38 -1.93 -3.05 115.31 113.22 1xmi h LEU 435 Ca 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1xmi h LEU 435 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1xmi h LEU 435 CO 0.00 0.00 -0.23 -0.07 0.09 0.00 0.00 178.44 178.24 1xmi h LEU 436 N 0.00 0.00 -9.25 1.67 3.38 -1.66 -3.44 115.31 106.02 1xmi h LEU 436 Ca -0.00 0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1xmi h LEU 436 Cb 0.54 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.14 1xmi h LEU 436 CO 0.00 0.23 -0.75 -0.83 0.09 0.00 0.00 178.44 177.18 1xmi s GLY 437 N -4.25 1.73 -0.16 0.83 0.00 -1.15 -5.13 107.32 99.19 1xmi s GLY 437 Ca -0.02 -1.46 -0.02 0.00 0.00 0.00 0.00 44.72 43.22 1xmi s GLY 437 CO 0.65 -1.47 -0.08 -1.08 0.00 0.00 0.00 173.10 171.12 1xmi s THR 438 N -1.58 3.39 0.41 0.90 -1.32 -1.26 -4.99 115.64 111.18 1xmi s THR 438 Ca 0.23 -0.53 -0.25 0.00 -1.21 0.00 0.00 61.69 59.93 1xmi s THR 438 Cb -0.09 -2.47 -0.08 0.00 -1.51 0.00 0.00 72.50 68.35 1xmi s THR 438 CO 0.14 0.49 1.19 -2.16 -2.21 0.00 0.00 174.62 172.07 1xmi s PRO 439 N 0.59 4.01 0.16 7.08 0.04 -1.26 -4.89 135.00 140.72 1xmi s PRO 439 Ca -0.05 1.90 -0.01 0.00 0.04 0.00 0.00 61.00 62.87 1xmi s PRO 439 Cb -0.15 -2.67 -0.02 0.00 0.04 0.00 0.00 34.50 31.70 1xmi s PRO 439 CO 0.03 -0.37 1.37 -0.24 0.04 0.00 0.00 177.00 177.82 1xmi h VAL 440 N 2.31 1.43 -3.93 -0.36 3.04 -1.32 -3.44 116.25 113.98 1xmi h VAL 440 Ca -0.49 -2.43 -0.47 0.00 -1.01 0.00 0.00 66.70 62.31 1xmi h VAL 440 Cb 1.24 2.36 -0.30 0.00 -2.01 0.00 0.00 31.29 32.57 1xmi h VAL 440 CO 0.62 0.72 -0.80 -0.76 -1.01 0.00 0.00 177.57 176.34 1xmi s LEU 441 N -7.67 1.88 -0.06 3.16 1.43 -1.12 -4.02 118.68 112.28 1xmi s LEU 441 Ca -0.05 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1xmi s LEU 441 Cb 0.10 -0.68 0.03 0.00 0.03 0.00 0.00 46.19 45.67 1xmi s LEU 441 CO 0.84 0.11 0.01 -0.75 0.23 0.00 0.00 176.35 176.79 1xmi s LYS 442 N 0.03 0.43 -1.26 1.70 2.20 0.20 -0.63 119.74 122.40 1xmi s LYS 442 Ca -0.01 0.14 -0.10 0.00 -0.36 0.00 0.00 55.97 55.64 1xmi s LYS 442 Cb -0.08 -0.78 -0.00 0.00 -1.51 0.00 0.00 37.83 35.45 1xmi s LYS 442 CO 0.01 -0.26 0.64 -3.47 -0.36 0.00 0.00 175.35 171.90 1xmi n ASP 443 N 4.91 -2.82 -4.68 1.43 2.03 -0.45 -4.25 116.55 112.72 1xmi n ASP 443 Ca -0.11 -0.98 -0.40 0.00 0.52 0.00 0.00 54.79 53.81 1xmi n ASP 443 Cb 0.50 -3.36 -0.05 0.00 -0.72 0.00 0.00 41.12 37.49 1xmi n ASP 443 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1xmi s ILE 444 N -3.68 4.97 -0.10 5.18 -1.09 -0.35 -4.64 121.20 121.49 1xmi s ILE 444 Ca 0.23 1.46 -0.01 0.00 -2.23 0.00 0.00 60.65 60.10 1xmi s ILE 444 Cb -0.08 -4.06 0.03 0.00 -1.58 0.00 0.00 42.46 36.77 1xmi s ILE 444 CO 0.86 0.13 -0.04 0.20 -1.23 0.00 0.00 174.94 174.87 1xmi s ASN 445 N 1.04 1.95 0.18 3.58 0.01 -1.26 -2.34 114.94 118.10 1xmi s ASN 445 Ca 0.36 -0.23 -0.21 0.00 -0.71 0.00 0.00 52.86 52.07 1xmi s ASN 445 Cb -0.17 -0.65 0.05 0.00 0.41 0.00 0.00 41.25 40.89 1xmi s ASN 445 CO 0.14 -0.16 0.58 0.72 -1.51 0.00 0.00 177.10 176.87 1xmi s PHE 446 N 1.83 -0.37 -0.13 2.20 -0.12 -1.02 -4.98 117.98 115.40 1xmi s PHE 446 Ca 0.05 0.08 -0.05 0.00 -0.05 0.00 0.00 56.93 56.97 1xmi s PHE 446 Cb -0.13 0.52 0.07 0.00 -0.63 0.00 0.00 43.02 42.85 1xmi s PHE 446 CO -0.07 -0.90 0.25 0.21 -0.05 0.00 0.00 175.22 174.66 1xmi s LYS 447 N -3.80 0.14 -0.17 1.99 2.20 -1.26 -1.08 119.74 117.75 1xmi s LYS 447 Ca 0.04 0.69 0.01 0.00 -0.36 0.00 0.00 55.97 56.35 1xmi s LYS 447 Cb -0.01 -0.15 0.01 0.00 -1.51 0.00 0.00 37.83 36.17 1xmi s LYS 447 CO -0.08 -0.32 -0.19 -1.50 -0.36 0.00 0.00 175.35 172.90 1xmi s ILE 448 N 2.40 2.22 0.85 5.43 2.07 -0.05 -4.99 121.20 129.13 1xmi s ILE 448 Ca 0.02 -0.90 -0.12 0.00 -1.41 0.00 0.00 60.65 58.24 1xmi s ILE 448 Cb -0.12 -1.93 0.10 0.00 0.13 0.00 0.00 42.46 40.64 1xmi s ILE 448 CO -0.09 0.53 1.11 -1.61 -1.91 0.00 0.00 174.94 172.97 1xmi s GLU 449 N 1.16 1.69 0.17 3.50 0.41 -1.26 -0.98 118.70 123.38 1xmi s GLU 449 Ca 0.01 0.55 -0.34 0.00 -0.41 0.00 0.00 54.97 54.79 1xmi s GLU 449 Cb -0.14 -1.88 -0.14 0.00 -1.78 0.00 0.00 34.13 30.19 1xmi s GLU 449 CO -0.09 -1.88 1.47 0.54 -0.49 0.00 0.00 175.26 174.82 1xmi n ARG 450 N -3.59 1.88 -0.49 1.61 1.74 -1.26 -2.26 116.66 114.30 1xmi n ARG 450 Ca 0.07 0.68 0.00 0.00 -0.77 0.00 0.00 57.85 57.82 1xmi n ARG 450 Cb 0.57 -2.38 0.00 0.00 -1.02 0.00 0.00 32.46 29.63 1xmi n ARG 450 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xmi n GLY 451 N 2.89 1.95 3.87 -0.13 0.00 -1.26 -4.92 105.19 107.60 1xmi n GLY 451 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 1xmi n GLY 451 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xmi s GLN 452 N -0.03 3.68 -0.19 1.61 -0.21 -0.96 -4.36 119.66 119.20 1xmi s GLN 452 Ca 0.00 0.67 -0.04 0.00 0.02 0.00 0.00 55.36 56.01 1xmi s GLN 452 Cb 0.00 -2.17 -0.02 0.00 1.00 0.00 0.00 33.01 31.82 1xmi s GLN 452 CO 0.00 -0.39 -0.04 -1.17 -2.12 0.00 0.00 175.29 171.57 1xmi s LEU 453 N -4.75 3.03 -0.20 2.90 2.96 -1.26 -2.35 118.68 119.01 1xmi s LEU 453 Ca 0.54 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 54.12 1xmi s LEU 453 Cb -0.11 -1.75 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 1xmi s LEU 453 CO 0.46 0.07 0.00 -0.22 -1.32 0.00 0.00 176.35 175.34 1xmi s LEU 454 N 0.95 3.25 -0.19 -0.68 0.20 -0.67 -1.31 118.68 120.23 1xmi s LEU 454 Ca -0.00 -0.21 -0.11 0.00 0.69 0.00 0.00 54.13 54.50 1xmi s LEU 454 Cb -0.15 -1.83 -0.05 0.00 -0.43 0.00 0.00 46.19 43.74 1xmi s LEU 454 CO 0.01 0.06 0.16 0.00 -0.29 0.00 0.00 176.35 176.29 1xmi s ALA 455 N 1.04 3.67 -0.18 5.97 0.00 -0.56 -0.49 121.76 131.21 1xmi s ALA 455 Ca 0.02 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.32 1xmi s ALA 455 Cb -0.14 -2.21 -0.01 0.00 0.00 0.00 0.00 23.12 20.76 1xmi s ALA 455 CO 0.02 0.16 -0.10 0.08 0.00 0.00 0.00 175.76 175.91 1xmi s VAL 456 N 0.35 3.02 0.22 0.00 1.01 0.42 -0.03 120.40 125.40 1xmi s VAL 456 Ca 0.10 -0.63 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1xmi s VAL 456 Cb -0.11 -2.32 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 1xmi s VAL 456 CO -0.01 0.48 -0.02 0.00 0.00 0.00 0.00 175.10 175.55 1xmi s ALA 457 N 1.07 1.77 0.00 5.51 0.00 -0.25 -1.54 121.76 128.32 1xmi s ALA 457 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 51.96 50.23 1xmi s ALA 457 Cb -0.15 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.40 1xmi s ALA 457 CO -0.02 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1xmi n GLY 458 N -0.39 3.27 3.75 0.00 0.00 -1.26 -0.30 105.19 110.26 1xmi n GLY 458 Ca -0.06 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 1xmi n GLY 458 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xmi s SER 459 N 0.00 3.08 0.25 1.61 1.04 -1.26 -4.82 113.70 113.60 1xmi s SER 459 Ca 0.00 0.95 -0.31 0.00 0.48 0.00 0.00 55.95 57.07 1xmi s SER 459 Cb 0.00 -1.50 -0.13 0.00 0.10 0.00 0.00 66.02 64.49 1xmi s SER 459 CO 0.00 -2.82 1.34 1.07 0.98 0.00 0.00 173.24 173.81 1xmi n THR 460 N -3.94 1.17 -0.98 2.02 5.66 -1.25 -1.92 114.28 115.04 1xmi n THR 460 Ca 0.07 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1xmi n THR 460 Cb 0.59 -1.40 0.00 0.00 -1.55 0.00 0.00 70.33 67.97 1xmi n THR 460 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xmi n GLY 461 N 1.88 0.60 0.22 1.09 0.00 -1.26 -4.92 105.19 102.81 1xmi n GLY 461 Ca 0.11 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.28 1xmi n GLY 461 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmi h ALA 462 N 0.00 1.00 0.00 4.61 0.00 -1.72 -3.43 119.26 119.72 1xmi h ALA 462 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1xmi h ALA 462 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xmi h ALA 462 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1xmi n GLY 463 N 0.33 1.39 0.33 0.00 0.00 -1.26 -1.07 105.19 104.92 1xmi n GLY 463 Ca 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.88 1xmi n GLY 463 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xmi h LYS 464 N 0.38 -0.77 -0.78 1.61 1.57 -1.91 0.63 116.57 117.30 1xmi h LYS 464 Ca 0.00 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1xmi h LYS 464 Cb 0.00 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 1xmi h LYS 464 CO 0.00 -0.47 0.49 1.15 -0.57 0.00 0.00 179.45 180.05 1xmi h THR 465 N -0.93 1.11 -0.92 -0.16 2.02 -2.00 -2.35 112.91 109.68 1xmi h THR 465 Ca -0.08 -0.33 0.09 0.00 0.77 0.00 0.00 66.41 66.86 1xmi h THR 465 Cb 0.66 0.07 -0.07 0.00 -1.74 0.00 0.00 68.15 67.07 1xmi h THR 465 CO 0.13 0.17 0.59 0.28 0.37 0.00 0.00 175.52 177.07 1xmi h SER 466 N 0.96 0.86 -0.67 4.18 0.02 -1.93 0.13 113.55 117.09 1xmi h SER 466 Ca 0.31 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 1xmi h SER 466 Cb 0.02 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 1xmi h SER 466 CO -0.11 0.51 0.33 0.25 -1.14 0.00 0.00 176.83 176.67 1xmi h LEU 467 N 0.95 0.87 -0.31 5.07 5.85 -0.33 -0.26 115.31 127.15 1xmi h LEU 467 Ca 0.43 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.99 1xmi h LEU 467 Cb 0.37 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 1xmi h LEU 467 CO -0.19 0.74 0.08 -0.07 -0.34 0.00 0.00 178.44 178.67 1xmi h LEU 468 N 0.92 0.46 -1.29 2.25 4.07 -1.13 -2.81 115.31 117.79 1xmi h LEU 468 Ca 0.23 -0.23 0.11 0.00 0.08 0.00 0.00 57.88 58.08 1xmi h LEU 468 Cb 0.10 -0.12 -0.06 0.00 1.08 0.00 0.00 40.66 41.65 1xmi h LEU 468 CO -0.03 0.57 0.55 0.24 -1.08 0.00 0.00 178.44 178.69 1xmi h MET 469 N 0.33 0.73 -0.44 1.13 2.86 -0.44 -1.40 114.93 117.71 1xmi h MET 469 Ca 0.10 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.64 1xmi h MET 469 Cb 0.29 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1xmi h MET 469 CO 0.00 0.48 0.05 1.98 1.06 0.00 0.00 176.91 180.49 1xmi h MET 470 N 0.75 0.74 -0.38 1.72 1.85 -0.88 -0.98 114.93 117.75 1xmi h MET 470 Ca 0.41 -0.21 -0.01 0.00 -0.61 0.00 0.00 59.70 59.28 1xmi h MET 470 Cb 0.54 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.47 1xmi h MET 470 CO -0.17 0.78 0.19 0.82 -0.40 0.00 0.00 176.91 178.12 1xmi h ILE 471 N 0.59 1.13 -0.00 1.77 2.04 -1.13 -1.69 117.51 120.23 1xmi h ILE 471 Ca 0.13 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1xmi h ILE 471 Cb 0.41 0.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1xmi h ILE 471 CO 0.01 0.15 -0.01 0.23 0.00 0.00 0.00 178.15 178.52 1xmi n MET 472 N -4.42 0.35 -0.83 2.37 2.81 -0.59 -4.92 117.12 111.89 1xmi n MET 472 Ca 0.03 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 1xmi n MET 472 Cb 0.11 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.12 1xmi n MET 472 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xmi n GLY 473 N 1.33 0.65 0.19 3.03 0.00 -0.63 -4.92 105.19 104.83 1xmi n GLY 473 Ca 0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 1xmi n GLY 473 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xmi h GLU 474 N 1.87 0.61 -5.77 1.61 4.39 -1.43 -3.43 114.58 112.43 1xmi h GLU 474 Ca 0.00 -0.63 -0.66 0.00 0.34 0.00 0.00 59.36 58.40 1xmi h GLU 474 Cb 0.00 0.17 -0.16 0.00 -0.10 0.00 0.00 28.75 28.66 1xmi h GLU 474 CO 0.00 1.24 -0.62 -1.17 -1.16 0.00 0.00 179.01 177.30 1xmi s LEU 475 N -8.03 3.58 -0.05 1.33 2.96 -1.16 -4.98 118.68 112.34 1xmi s LEU 475 Ca -0.08 0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 1xmi s LEU 475 Cb 0.08 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.91 1xmi s LEU 475 CO 0.90 0.32 -0.17 -1.61 -1.32 0.00 0.00 176.35 174.47 1xmi s GLU 476 N -0.54 2.53 0.34 1.98 2.02 -1.26 -4.31 118.70 119.47 1xmi s GLU 476 Ca 0.09 -0.75 -0.26 0.00 0.02 0.00 0.00 54.97 54.07 1xmi s GLU 476 Cb -0.12 -2.34 -0.09 0.00 0.10 0.00 0.00 34.13 31.68 1xmi s GLU 476 CO 0.02 0.56 1.05 -1.25 0.02 0.00 0.00 175.26 175.66 1xmi s PRO 477 N -0.57 4.40 -0.10 0.39 0.04 -1.26 -4.22 135.00 133.69 1xmi s PRO 477 Ca 0.08 1.59 0.19 0.00 0.04 0.00 0.00 61.00 62.90 1xmi s PRO 477 Cb -0.11 -2.82 -0.25 0.00 0.04 0.00 0.00 34.50 31.35 1xmi s PRO 477 CO 0.01 0.06 0.35 0.43 0.04 0.00 0.00 177.00 177.88 1xmi n SER 478 N 0.50 0.19 -3.80 6.66 7.64 -0.30 -4.98 113.62 119.54 1xmi n SER 478 Ca 0.02 0.09 -0.13 0.00 1.01 0.00 0.00 58.87 59.86 1xmi n SER 478 Cb 0.48 1.08 -0.09 0.00 -1.01 0.00 0.00 64.21 64.66 1xmi n SER 478 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1xmi s GLU 479 N -2.86 0.56 0.00 1.43 2.12 -1.21 -4.84 118.70 113.91 1xmi s GLU 479 Ca -0.08 -0.17 0.00 0.00 0.36 0.00 0.00 54.97 55.08 1xmi s GLU 479 Cb 0.09 0.25 0.00 0.00 0.26 0.00 0.00 34.13 34.72 1xmi s GLU 479 CO 0.85 -0.14 0.00 0.41 -0.54 0.00 0.00 175.26 175.84 1xmi n GLY 480 N 1.58 -0.12 3.24 -1.50 0.00 -1.22 -2.43 105.19 104.74 1xmi n GLY 480 Ca -0.21 -1.91 -0.26 0.00 0.00 0.00 0.00 46.02 43.65 1xmi n GLY 480 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xmi s LYS 481 N -1.12 1.42 -0.14 1.61 3.01 -0.61 -4.93 119.74 118.97 1xmi s LYS 481 Ca 0.00 -0.90 0.02 0.00 -1.01 0.00 0.00 55.97 54.08 1xmi s LYS 481 Cb 0.00 -1.50 0.02 0.00 -1.01 0.00 0.00 37.83 35.34 1xmi s LYS 481 CO 0.00 0.39 -0.19 0.42 0.51 0.00 0.00 175.35 176.48 1xmi s ILE 482 N -0.74 1.85 -0.22 2.17 1.01 -1.26 -0.68 121.20 123.32 1xmi s ILE 482 Ca 0.07 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 1xmi s ILE 482 Cb -0.09 -1.67 0.02 0.00 0.01 0.00 0.00 42.46 40.73 1xmi s ILE 482 CO 0.01 0.51 -0.10 -0.75 0.00 0.00 0.00 174.94 174.61 1xmi s LYS 483 N 1.08 3.02 -0.18 2.79 2.20 0.50 -4.98 119.74 124.17 1xmi s LYS 483 Ca -0.02 -0.84 -0.28 0.00 -0.36 0.00 0.00 55.97 54.47 1xmi s LYS 483 Cb -0.14 -2.86 0.09 0.00 -1.51 0.00 0.00 37.83 33.41 1xmi s LYS 483 CO -0.06 -0.29 0.79 -3.38 -0.36 0.00 0.00 175.35 172.06 1xmi s HIS 484 N 1.35 -0.64 0.35 4.03 -3.43 -1.26 -0.25 115.29 115.45 1xmi s HIS 484 Ca 0.03 1.37 0.05 0.00 -0.80 0.00 0.00 55.06 55.71 1xmi s HIS 484 Cb -0.15 0.36 -0.07 0.00 -1.43 0.00 0.00 32.58 31.29 1xmi s HIS 484 CO -0.07 -0.43 0.04 -1.54 -2.00 0.00 0.00 174.74 170.74 1xmi s SER 485 N -0.37 2.93 0.20 7.38 1.04 -1.26 -5.09 113.70 118.53 1xmi s SER 485 Ca -0.03 -1.37 0.00 0.00 0.48 0.00 0.00 55.95 55.03 1xmi s SER 485 Cb -0.03 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.89 1xmi s SER 485 CO 0.03 -0.54 0.00 0.61 0.98 0.00 0.00 173.24 174.32 1xmi n GLY 486 N -0.78 -1.73 3.83 7.32 0.00 -1.26 -4.71 105.19 107.85 1xmi n GLY 486 Ca -0.03 -1.32 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 1xmi n GLY 486 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xmi s ARG 487 N 0.00 4.11 -0.07 1.61 0.52 -1.26 -4.86 118.95 119.01 1xmi s ARG 487 Ca 0.00 1.04 0.02 0.00 -0.52 0.00 0.00 55.73 56.26 1xmi s ARG 487 Cb 0.00 -2.18 -0.03 0.00 0.52 0.00 0.00 34.95 33.27 1xmi s ARG 487 CO 0.00 -0.11 -0.11 0.42 0.02 0.00 0.00 175.30 175.52 1xmi s ILE 488 N -2.34 3.35 -0.01 1.52 1.01 -1.26 -1.22 121.20 122.25 1xmi s ILE 488 Ca 0.60 -0.60 0.07 0.00 0.00 0.00 0.00 60.65 60.73 1xmi s ILE 488 Cb -0.09 -2.36 -0.02 0.00 0.01 0.00 0.00 42.46 40.00 1xmi s ILE 488 CO 0.20 0.58 -0.24 -0.55 0.00 0.00 0.00 174.94 174.94 1xmi s SER 489 N -0.58 3.28 -0.08 3.58 0.15 0.59 -4.98 113.70 115.67 1xmi s SER 489 Ca 0.08 -0.44 -0.01 0.00 0.70 0.00 0.00 55.95 56.29 1xmi s SER 489 Cb -0.12 -0.44 0.03 0.00 -1.71 0.00 0.00 66.02 63.79 1xmi s SER 489 CO 0.02 0.31 -0.02 0.12 1.20 0.00 0.00 173.24 174.86 1xmi s PHE 490 N -0.68 0.87 -0.24 3.44 5.36 -1.26 0.28 117.98 125.75 1xmi s PHE 490 Ca 0.11 -0.30 -0.05 0.00 -0.96 0.00 0.00 56.93 55.72 1xmi s PHE 490 Cb -0.10 -0.88 -0.01 0.00 -0.34 0.00 0.00 43.02 41.69 1xmi s PHE 490 CO 0.00 -0.35 0.01 0.00 -1.46 0.00 0.00 175.22 173.42 1xmi s SER 492 N 1.53 5.45 0.31 0.00 0.15 -1.26 -0.29 113.70 119.58 1xmi s SER 492 Ca 0.06 0.28 0.02 0.00 0.70 0.00 0.00 55.95 57.01 1xmi s SER 492 Cb -0.15 -1.27 0.51 0.00 -1.71 0.00 0.00 66.02 63.40 1xmi s SER 492 CO -0.00 -1.05 1.84 1.56 1.20 0.00 0.00 173.24 176.78 1xmi h GLN 493 N 0.04 0.63 -6.15 5.44 4.20 -1.82 -3.40 115.11 114.04 1xmi h GLN 493 Ca -0.44 -0.14 -0.58 0.00 0.06 0.00 0.00 58.65 57.55 1xmi h GLN 493 Cb 1.28 -0.09 -0.06 0.00 0.30 0.00 0.00 27.48 28.91 1xmi h GLN 493 CO 0.57 0.64 0.82 0.12 -0.67 0.00 0.00 178.83 180.31 1xmi s PHE 494 N -4.99 3.23 -0.65 2.96 5.36 -1.26 -5.00 117.98 117.64 1xmi s PHE 494 Ca -0.08 1.35 -0.24 0.00 -0.96 0.00 0.00 56.93 57.00 1xmi s PHE 494 Cb 0.15 -3.42 0.06 0.00 -0.34 0.00 0.00 43.02 39.47 1xmi s PHE 494 CO 0.78 -0.68 1.01 -1.12 -1.46 0.00 0.00 175.22 173.74 1xmi s SER 495 N 1.42 6.21 -0.09 6.13 0.01 -1.26 -5.01 113.70 121.11 1xmi s SER 495 Ca 0.46 -0.75 -0.22 0.00 1.31 0.00 0.00 55.95 56.74 1xmi s SER 495 Cb -0.15 -2.44 -0.04 0.00 0.21 0.00 0.00 66.02 63.60 1xmi s SER 495 CO 0.10 -1.45 0.64 0.86 0.41 0.00 0.00 173.24 173.79 1xmi s TRP 496 N 4.29 3.54 -0.23 2.43 -0.00 -1.26 -4.92 118.94 122.79 1xmi s TRP 496 Ca 0.26 1.13 -0.01 0.00 -0.00 0.00 0.00 56.10 57.48 1xmi s TRP 496 Cb -0.14 -2.74 0.02 0.00 -0.00 0.00 0.00 33.47 30.61 1xmi s TRP 496 CO 0.13 0.08 -0.08 0.42 -0.00 0.00 0.00 176.95 177.50 1xmi s ILE 497 N 0.86 2.78 0.38 5.86 -1.09 -1.26 -4.72 121.20 124.00 1xmi s ILE 497 Ca 0.34 -0.96 -0.26 0.00 -2.23 0.00 0.00 60.65 57.54 1xmi s ILE 497 Cb -0.17 -2.36 -0.09 0.00 -1.58 0.00 0.00 42.46 38.26 1xmi s ILE 497 CO 0.15 0.28 1.12 -0.04 -1.23 0.00 0.00 174.94 175.22 1xmi s MET 498 N 1.33 4.20 0.15 2.79 -1.94 -1.26 -4.36 119.30 120.21 1xmi s MET 498 Ca 0.01 1.73 -0.33 0.00 -1.71 0.00 0.00 55.69 55.39 1xmi s MET 498 Cb -0.16 -2.74 -0.13 0.00 2.01 0.00 0.00 34.83 33.82 1xmi s MET 498 CO -0.06 -0.16 1.69 -2.30 -0.01 0.00 0.00 175.02 174.18 1xmi n PRO 499 N 0.25 2.43 0.00 2.03 -0.02 -1.18 -4.64 135.00 133.88 1xmi n PRO 499 Ca 0.03 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 1xmi n PRO 499 Cb 0.47 -2.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.25 1xmi n PRO 499 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xmi n GLY 500 N 3.78 0.86 3.99 -1.23 0.00 -0.40 -4.98 105.19 107.22 1xmi n GLY 500 Ca 0.17 -1.88 -0.19 0.00 0.00 0.00 0.00 46.02 44.12 1xmi n GLY 500 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xmi s THR 501 N -2.76 2.79 0.12 2.61 -1.32 -1.26 0.17 115.64 115.99 1xmi s THR 501 Ca 0.00 -0.81 -0.18 0.00 -1.21 0.00 0.00 61.69 59.49 1xmi s THR 501 Cb 0.00 -2.99 -0.04 0.00 -1.51 0.00 0.00 72.50 67.97 1xmi s THR 501 CO 0.00 0.00 1.68 0.40 -2.21 0.00 0.00 174.62 174.49 1xmi h ILE 502 N 0.30 1.17 -0.37 5.08 2.04 -1.65 0.20 117.51 124.29 1xmi h ILE 502 Ca -0.41 -0.50 0.03 0.00 1.00 0.00 0.00 64.86 64.98 1xmi h ILE 502 Cb 1.29 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 1xmi h ILE 502 CO 0.49 0.18 0.18 0.50 0.00 0.00 0.00 178.15 179.49 1xmi h LYS 503 N 0.37 0.35 0.00 2.37 3.64 -1.81 -0.47 116.57 121.02 1xmi h LYS 503 Ca 0.11 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.39 1xmi h LYS 503 Cb 0.15 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 1xmi h LYS 503 CO -0.01 0.23 -0.38 0.93 -2.27 0.00 0.00 179.45 177.95 1xmi h GLU 504 N 0.36 0.00 -0.42 1.90 5.08 -1.79 -0.47 114.58 119.24 1xmi h GLU 504 Ca 0.16 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.39 1xmi h GLU 504 Cb 0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1xmi h GLU 504 CO -0.12 0.38 -0.24 -0.91 -1.00 0.00 0.00 179.01 177.12 1xmi h ASN 505 N 0.00 0.89 0.01 1.42 2.35 0.20 0.24 115.58 120.69 1xmi h ASN 505 Ca -0.00 -0.34 -0.14 0.00 -0.55 0.00 0.00 56.30 55.27 1xmi h ASN 505 Cb 0.73 -0.25 0.01 0.00 0.05 0.00 0.00 38.32 38.86 1xmi h ASN 505 CO 0.05 1.09 -0.56 0.40 -1.65 0.00 0.00 177.43 176.75 1xmi h ILE 506 N 0.75 1.46 0.29 2.81 2.04 -0.84 -3.37 117.51 120.65 1xmi h ILE 506 Ca 0.10 -2.11 -0.01 0.00 1.00 0.00 0.00 64.86 63.83 1xmi h ILE 506 Cb 0.78 2.69 0.00 0.00 -0.74 0.00 0.00 36.82 39.56 1xmi h ILE 506 CO 0.06 0.61 -0.14 0.40 0.00 0.00 0.00 178.15 179.08 1xmi h ILE 507 N -0.20 0.59 -6.53 -0.67 1.08 -1.15 -3.39 117.51 107.24 1xmi h ILE 507 Ca -0.07 -0.80 -0.41 0.00 -0.39 0.00 0.00 64.86 63.19 1xmi h ILE 507 Cb 1.30 0.93 0.00 0.00 -3.07 0.00 0.00 36.82 35.98 1xmi h ILE 507 CO 0.11 0.13 -0.92 0.00 -0.69 0.00 0.00 178.15 176.78 1xmi n ALA 508 N -2.57 -2.76 0.00 1.87 0.00 0.84 -2.83 120.51 115.06 1xmi n ALA 508 Ca -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1xmi n ALA 508 Cb 0.26 -0.88 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1xmi n ALA 508 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xmi n GLY 509 N -1.68 2.16 3.66 0.00 0.00 -1.26 -5.00 105.19 103.07 1xmi n GLY 509 Ca -0.27 -0.39 -0.39 0.00 0.00 0.00 0.00 46.02 44.97 1xmi n GLY 509 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1xmi n VAL 510 N 0.00 3.52 -1.77 1.61 0.31 -1.13 -4.91 118.33 115.96 1xmi n VAL 510 Ca 0.00 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.42 1xmi n VAL 510 Cb 0.00 -1.35 -0.01 0.00 -0.91 0.00 0.00 33.84 31.57 1xmi n VAL 510 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1xmi n SER 511 N -0.62 3.82 -4.73 4.52 3.41 -1.26 -4.93 113.62 113.83 1xmi n SER 511 Ca 0.12 1.20 -0.41 0.00 -0.26 0.00 0.00 58.87 59.52 1xmi n SER 511 Cb 0.45 -1.61 -0.04 0.00 -0.26 0.00 0.00 64.21 62.74 1xmi n SER 511 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1xmi s TYR 512 N -0.77 3.74 -0.03 7.33 5.04 -1.26 -5.05 117.35 126.36 1xmi s TYR 512 Ca 0.57 1.73 0.00 0.00 -2.44 0.00 0.00 57.07 56.93 1xmi s TYR 512 Cb -0.48 -3.12 0.03 0.00 0.35 0.00 0.00 41.96 38.73 1xmi s TYR 512 CO 0.59 -0.05 0.01 0.34 -1.34 0.00 0.00 175.55 175.10 1xmi s ASP 513 N 0.02 0.36 0.03 4.32 2.15 -1.26 -5.08 116.67 117.21 1xmi s ASP 513 Ca 0.48 -0.01 -0.25 0.00 0.43 0.00 0.00 52.55 53.20 1xmi s ASP 513 Cb -0.25 -0.19 -0.17 0.00 -0.30 0.00 0.00 42.92 42.01 1xmi s ASP 513 CO 0.31 -0.11 1.41 -0.08 -0.17 0.00 0.00 175.17 176.53 1xmi h GLU 514 N 7.28 -0.23 0.35 4.34 4.57 -1.99 -2.53 114.58 126.37 1xmi h GLU 514 Ca -0.43 0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 57.75 1xmi h GLU 514 Cb 1.13 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1xmi h GLU 514 CO 0.47 0.04 -0.17 -0.92 -1.18 0.00 0.00 179.01 177.26 1xmi h TYR 515 N -0.50 -0.44 -0.60 0.92 3.20 -1.99 -2.49 116.97 115.06 1xmi h TYR 515 Ca -0.02 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.88 1xmi h TYR 515 Cb 0.38 0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.75 1xmi h TYR 515 CO 0.01 -0.27 0.33 -0.09 -1.64 0.00 0.00 178.16 176.50 1xmi h ARG 516 N -0.47 0.62 -0.57 1.82 2.43 -2.00 -1.57 114.38 114.63 1xmi h ARG 516 Ca -0.05 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1xmi h ARG 516 Cb 0.36 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 1xmi h ARG 516 CO 0.08 0.41 0.34 -0.92 -1.51 0.00 0.00 179.97 178.37 1xmi h TYR 517 N 0.64 0.76 -0.05 2.20 3.20 -1.37 -0.83 116.97 121.53 1xmi h TYR 517 Ca 0.26 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.98 1xmi h TYR 517 Cb 0.12 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 1xmi h TYR 517 CO -0.08 0.52 -0.61 0.00 -1.64 0.00 0.00 178.16 176.35 1xmi h ARG 518 N 0.77 0.17 -0.15 1.82 2.47 -1.18 -1.81 114.38 116.48 1xmi h ARG 518 Ca 0.21 -0.12 -0.12 0.00 -1.26 0.00 0.00 59.98 58.68 1xmi h ARG 518 Cb -0.01 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.32 1xmi h ARG 518 CO -0.04 0.73 -0.44 0.77 0.56 0.00 0.00 179.97 181.55 1xmi h SER 519 N 0.13 0.38 -0.05 7.04 0.02 -1.02 -2.52 113.55 117.53 1xmi h SER 519 Ca -0.01 -0.17 -0.06 0.00 -0.84 0.00 0.00 61.79 60.71 1xmi h SER 519 Cb 1.11 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1xmi h SER 519 CO 0.09 0.77 -0.22 0.58 -1.14 0.00 0.00 176.83 176.91 1xmi h VAL 520 N 0.29 1.45 0.00 2.27 2.07 -0.90 -2.41 116.25 119.03 1xmi h VAL 520 Ca 0.02 -1.67 -0.06 0.00 0.82 0.00 0.00 66.70 65.82 1xmi h VAL 520 Cb 0.90 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 33.06 1xmi h VAL 520 CO 0.07 0.47 -0.28 0.16 0.02 0.00 0.00 177.57 178.01 1xmi h ILE 521 N -0.30 0.78 0.15 4.57 3.07 -1.39 -1.34 117.51 123.04 1xmi h ILE 521 Ca -0.01 -1.16 -0.01 0.00 1.55 0.00 0.00 64.86 65.23 1xmi h ILE 521 Cb 0.87 1.72 0.00 0.00 -0.27 0.00 0.00 36.82 39.14 1xmi h ILE 521 CO 0.05 0.27 -0.07 0.50 -1.05 0.00 0.00 178.15 177.85 1xmi h LYS 522 N 0.00 -0.19 -0.08 0.16 3.64 -1.50 0.82 116.57 119.42 1xmi h LYS 522 Ca -0.00 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1xmi h LYS 522 Cb 0.69 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1xmi h LYS 522 CO 0.04 0.22 -0.03 0.00 -2.27 0.00 0.00 179.45 177.41 1xmi h ALA 523 N 0.03 1.82 -0.57 5.00 0.00 -1.24 -1.13 119.26 123.18 1xmi h ALA 523 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xmi h ALA 523 Cb 0.50 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1xmi h ALA 523 CO 0.03 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.42 1xmi n GLN 525 N 1.05 -4.84 0.00 0.00 6.02 -0.43 -4.89 117.38 114.29 1xmi n GLN 525 Ca 0.21 0.59 0.06 0.00 -0.01 0.00 0.00 57.00 57.85 1xmi n GLN 525 Cb 0.67 -5.16 -0.01 0.00 1.02 0.00 0.00 30.24 26.76 1xmi n GLN 525 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1xmi n LEU 526 N -4.37 1.34 -0.14 1.08 4.77 0.28 -4.58 117.00 115.38 1xmi n LEU 526 Ca -0.23 -0.74 -0.04 0.00 -0.03 0.00 0.00 56.01 54.97 1xmi n LEU 526 Cb 0.65 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.79 1xmi n LEU 526 CO 0.71 0.27 0.95 -0.33 -1.33 0.00 0.00 177.39 177.65 1xmi h GLU 527 N 1.31 0.31 -0.32 3.23 5.08 -1.85 0.05 114.58 122.39 1xmi h GLU 527 Ca 0.00 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 1xmi h GLU 527 Cb 0.43 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1xmi h GLU 527 CO 0.00 0.21 -0.21 0.93 -1.00 0.00 0.00 179.01 178.94 1xmi h GLU 528 N 0.32 0.60 -0.35 2.33 4.39 -1.91 -1.56 114.58 118.41 1xmi h GLU 528 Ca 0.22 -0.22 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 1xmi h GLU 528 Cb 0.23 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1xmi h GLU 528 CO -0.23 0.77 -0.24 -0.44 -1.16 0.00 0.00 179.01 177.71 1xmi h ASP 529 N 0.54 0.82 -0.29 1.42 3.32 -1.72 -2.93 116.42 117.58 1xmi h ASP 529 Ca 0.08 -0.44 -0.10 0.00 0.02 0.00 0.00 57.03 56.60 1xmi h ASP 529 Cb 0.66 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 1xmi h ASP 529 CO 0.05 1.08 -0.19 0.40 -1.72 0.00 0.00 179.24 178.85 1xmi h ILE 530 N 0.56 1.30 0.00 0.35 2.04 -0.86 -3.23 117.51 117.68 1xmi h ILE 530 Ca 0.07 -1.32 -0.07 0.00 1.00 0.00 0.00 64.86 64.54 1xmi h ILE 530 Cb 0.81 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1xmi h ILE 530 CO 0.07 0.42 -0.34 0.77 0.00 0.00 0.00 178.15 179.07 1xmi h SER 531 N 0.39 0.00 -0.48 1.72 4.64 -1.36 -3.26 113.55 115.19 1xmi h SER 531 Ca 0.06 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.27 1xmi h SER 531 Cb 0.73 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 1xmi h SER 531 CO 0.05 0.34 -0.11 0.50 -0.87 0.00 0.00 176.83 176.74 1xmi h LYS 532 N 0.00 0.93 -6.94 4.77 3.64 -1.52 -3.44 116.57 114.00 1xmi h LYS 532 Ca -0.00 -0.35 -0.51 0.00 -1.27 0.00 0.00 60.65 58.51 1xmi h LYS 532 Cb 0.82 -0.06 0.06 0.00 -0.41 0.00 0.00 32.23 32.64 1xmi h LYS 532 CO 0.04 1.01 0.55 -0.06 -2.27 0.00 0.00 179.45 178.71 1xmi s PHE 533 N -4.82 3.00 0.25 1.91 2.99 -1.23 -4.95 117.98 115.14 1xmi s PHE 533 Ca -0.12 1.51 -0.03 0.00 0.00 0.00 0.00 56.93 58.29 1xmi s PHE 533 Cb 0.12 -3.50 0.31 0.00 0.00 0.00 0.00 43.02 39.95 1xmi s PHE 533 CO 0.85 -1.58 1.77 0.00 -0.00 0.00 0.00 175.22 176.26 1xmi h ALA 534 N 2.72 1.11 -0.13 5.36 0.00 -1.89 -2.26 119.26 124.17 1xmi h ALA 534 Ca -0.49 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1xmi h ALA 534 Cb 1.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1xmi h ALA 534 CO 0.63 0.58 0.00 0.39 0.00 0.00 0.00 179.25 180.85 1xmi n GLU 535 N -4.24 1.38 0.00 0.00 -0.58 -1.26 -5.02 120.64 110.92 1xmi n GLU 535 Ca 0.03 -0.58 0.00 0.00 -0.42 0.00 0.00 57.16 56.20 1xmi n GLU 535 Cb 0.27 -1.23 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 1xmi n GLU 535 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1xmi n LYS 536 N -0.11 0.00 -0.27 3.49 3.00 -0.85 -1.40 118.16 122.02 1xmi n LYS 536 Ca 0.10 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.42 1xmi n LYS 536 Cb 0.17 0.00 0.11 0.00 0.00 0.00 0.00 35.03 35.31 1xmi n LYS 536 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1xmi n ASP 537 N 1.38 2.42 -0.78 3.14 5.68 -1.26 -3.63 116.55 123.50 1xmi n ASP 537 Ca 0.00 -2.28 0.04 0.00 -0.50 0.00 0.00 54.79 52.06 1xmi n ASP 537 Cb 0.00 -0.56 0.21 0.00 -1.14 0.00 0.00 41.12 39.63 1xmi n ASP 537 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1xmi n ASN 538 N 0.17 2.92 -4.81 -1.12 5.03 -0.49 -2.32 115.26 114.65 1xmi n ASN 538 Ca 0.09 -3.35 -0.39 0.00 0.87 0.00 0.00 54.58 51.79 1xmi n ASN 538 Cb 0.54 -0.55 -0.06 0.00 -1.02 0.00 0.00 39.78 38.69 1xmi n ASN 538 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1xmi s ILE 539 N -3.01 4.75 0.24 2.41 2.07 -1.24 -4.94 121.20 121.48 1xmi s ILE 539 Ca 0.41 1.20 -0.25 0.00 -1.41 0.00 0.00 60.65 60.60 1xmi s ILE 539 Cb 0.35 -3.89 -0.09 0.00 0.13 0.00 0.00 42.46 38.97 1xmi s ILE 539 CO 0.03 0.56 0.84 0.54 -1.91 0.00 0.00 174.94 175.00 1xmi s VAL 540 N -1.10 4.33 0.15 4.00 0.11 -1.26 -3.48 120.40 123.15 1xmi s VAL 540 Ca 0.29 1.70 0.08 0.00 -2.93 0.00 0.00 61.98 61.11 1xmi s VAL 540 Cb -0.19 -4.06 -0.04 0.00 -1.53 0.00 0.00 36.38 30.55 1xmi s VAL 540 CO 0.19 0.34 -0.18 -0.76 -3.33 0.00 0.00 175.10 171.36 1xmi s LEU 541 N -1.61 2.42 0.00 2.54 1.43 0.45 -4.95 118.68 118.97 1xmi s LEU 541 Ca 0.42 -0.84 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1xmi s LEU 541 Cb -0.21 -0.78 0.00 0.00 0.03 0.00 0.00 46.19 45.23 1xmi s LEU 541 CO 0.25 -0.05 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1xmi n GLY 542 N 0.39 1.28 0.22 -3.19 0.00 -1.26 -1.28 105.19 101.35 1xmi n GLY 542 Ca -0.14 -1.63 0.11 0.00 0.00 0.00 0.00 46.02 44.36 1xmi n GLY 542 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xmi n GLU 543 N 0.00 0.54 0.00 1.61 -0.58 -1.26 -3.09 120.64 117.86 1xmi n GLU 543 Ca 0.00 -0.43 0.00 0.00 -0.42 0.00 0.00 57.16 56.31 1xmi n GLU 543 Cb 0.00 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.38 1xmi n GLU 543 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1xmi n ILE 546 N -0.85 0.00 0.14 -3.67 3.06 -1.26 -4.97 119.36 111.81 1xmi n ILE 546 Ca 0.07 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.26 1xmi n ILE 546 Cb 0.39 0.00 0.11 0.00 0.54 0.00 0.00 39.64 40.67 1xmi n ILE 546 CO 0.00 0.00 0.00 1.07 -2.50 0.00 0.00 176.55 175.12 1xmi n THR 547 N -0.82 1.63 -4.48 9.51 5.66 -1.26 -4.87 114.28 119.66 1xmi n THR 547 Ca 0.00 -0.71 -0.31 0.00 -3.05 0.00 0.00 64.05 59.99 1xmi n THR 547 Cb 0.00 -0.65 -0.12 0.00 -1.55 0.00 0.00 70.33 68.01 1xmi n THR 547 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1xmi s LEU 548 N -1.27 2.79 0.70 1.09 1.43 -1.26 -5.14 118.68 117.02 1xmi s LEU 548 Ca 0.23 -0.40 -0.11 0.00 -1.03 0.00 0.00 54.13 52.82 1xmi s LEU 548 Cb 0.19 -1.63 0.01 0.00 0.03 0.00 0.00 46.19 44.79 1xmi s LEU 548 CO 0.05 0.23 1.07 -0.94 0.23 0.00 0.00 176.35 177.00 1xmi s SER 549 N -1.70 5.45 0.31 2.29 1.04 -1.26 -4.92 113.70 114.90 1xmi s SER 549 Ca 0.17 1.34 0.00 0.00 0.48 0.00 0.00 55.95 57.94 1xmi s SER 549 Cb -0.11 -2.21 0.52 0.00 0.10 0.00 0.00 66.02 64.33 1xmi s SER 549 CO 0.08 -1.36 1.95 1.23 0.98 0.00 0.00 173.24 176.11 1xmi h GLY 550 N -0.67 1.19 1.06 7.32 0.00 -1.92 -2.26 103.07 107.79 1xmi h GLY 550 Ca -0.45 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.37 1xmi h GLY 550 CO 0.61 0.35 -0.07 -1.33 0.00 0.00 0.00 176.54 176.09 1xmi h GLY 551 N 1.03 1.06 0.91 4.60 0.00 -1.80 -2.29 103.07 106.57 1xmi h GLY 551 Ca 0.34 -0.83 -0.02 0.00 0.00 0.00 0.00 47.33 46.81 1xmi h GLY 551 CO -0.10 0.76 0.11 1.46 0.00 0.00 0.00 176.54 178.78 1xmi h GLN 552 N 0.85 0.47 -0.60 4.80 4.20 -1.87 -1.56 115.11 121.39 1xmi h GLN 552 Ca 0.14 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 58.77 1xmi h GLN 552 Cb 0.63 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 1xmi h GLN 552 CO 0.04 0.49 0.39 0.00 -0.67 0.00 0.00 178.83 179.08 1xmi h ARG 553 N 0.35 0.75 -0.86 1.46 3.08 -1.41 -0.86 114.38 116.89 1xmi h ARG 553 Ca 0.10 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1xmi h ARG 553 Cb 0.21 -0.17 -0.04 0.00 0.08 0.00 0.00 29.97 30.05 1xmi h ARG 553 CO -0.01 0.50 0.49 0.00 -1.07 0.00 0.00 179.97 179.88 1xmi h ALA 554 N 1.24 1.24 -0.32 0.04 0.00 -1.29 -0.50 119.26 119.66 1xmi h ALA 554 Ca 0.23 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.90 1xmi h ALA 554 Cb -0.05 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1xmi h ALA 554 CO -0.07 0.63 -0.26 0.00 0.00 0.00 0.00 179.25 179.55 1xmi h ARG 555 N 1.20 0.75 -0.37 0.00 3.08 -0.80 -1.88 114.38 116.36 1xmi h ARG 555 Ca 0.31 -0.37 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 1xmi h ARG 555 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1xmi h ARG 555 CO -0.05 1.00 0.05 0.82 -1.07 0.00 0.00 179.97 180.72 1xmi h ILE 556 N 0.52 1.24 -0.59 2.04 2.04 -1.02 -0.86 117.51 120.88 1xmi h ILE 556 Ca 0.06 -0.86 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 1xmi h ILE 556 Cb 0.83 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1xmi h ILE 556 CO 0.07 0.29 0.25 -1.28 0.00 0.00 0.00 178.15 177.48 1xmi h SER 557 N 0.46 0.78 -0.18 1.72 0.87 -1.07 -0.56 113.55 115.56 1xmi h SER 557 Ca 0.11 -0.10 -0.09 0.00 -1.23 0.00 0.00 61.79 60.49 1xmi h SER 557 Cb 0.37 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1xmi h SER 557 CO 0.01 0.69 -0.23 0.25 -0.53 0.00 0.00 176.83 177.02 1xmi h LEU 558 N 0.85 0.52 -0.74 2.23 5.85 -1.25 -2.97 115.31 119.79 1xmi h LEU 558 Ca 0.20 -0.50 0.10 0.00 0.84 0.00 0.00 57.88 58.52 1xmi h LEU 558 Cb 0.15 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 40.96 1xmi h LEU 558 CO -0.02 0.92 0.38 0.00 -0.34 0.00 0.00 178.44 179.37 1xmi h ALA 559 N 0.61 1.04 -0.03 1.25 0.00 -0.70 -0.86 119.26 120.59 1xmi h ALA 559 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1xmi h ALA 559 Cb 0.79 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1xmi h ALA 559 CO 0.05 -0.04 0.02 -0.09 0.00 0.00 0.00 179.25 179.19 1xmi h ARG 560 N 0.62 0.03 -0.56 0.00 2.43 -1.13 0.31 114.38 116.09 1xmi h ARG 560 Ca 0.37 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.52 1xmi h ARG 560 Cb 0.41 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 1xmi h ARG 560 CO -0.28 0.04 0.26 0.00 -1.51 0.00 0.00 179.97 178.47 1xmi h ALA 561 N 1.00 1.41 0.11 2.80 0.00 -1.29 -3.06 119.26 120.23 1xmi h ALA 561 Ca 0.01 -0.12 -0.27 0.00 0.00 0.00 0.00 54.91 54.53 1xmi h ALA 561 Cb 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.58 1xmi h ALA 561 CO -0.00 0.46 -1.20 0.28 0.00 0.00 0.00 179.25 178.79 1xmi h VAL 562 N 0.79 1.43 -0.76 0.00 2.07 -0.90 -3.26 116.25 115.61 1xmi h VAL 562 Ca 0.19 -2.81 0.03 0.00 0.82 0.00 0.00 66.70 64.93 1xmi h VAL 562 Cb 0.09 2.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.63 1xmi h VAL 562 CO -0.03 0.83 0.50 0.22 0.02 0.00 0.00 177.57 179.12 1xmi h TYR 563 N 0.14 0.91 -2.73 1.57 3.20 -0.84 -3.43 116.97 115.79 1xmi h TYR 563 Ca -0.14 0.02 -0.53 0.00 3.14 0.00 0.00 58.73 61.22 1xmi h TYR 563 Cb 1.90 -0.30 0.03 0.00 1.54 0.00 0.00 36.73 39.90 1xmi h TYR 563 CO 0.08 0.54 0.96 0.21 -1.64 0.00 0.00 178.16 178.30 1xmi s LYS 564 N -5.81 4.20 -0.61 1.82 2.20 -1.19 -4.94 119.74 115.41 1xmi s LYS 564 Ca -0.11 2.38 -0.27 0.00 -0.36 0.00 0.00 55.97 57.61 1xmi s LYS 564 Cb 0.18 -3.38 0.03 0.00 -1.51 0.00 0.00 37.83 33.16 1xmi s LYS 564 CO 0.78 -0.69 1.18 0.34 -0.36 0.00 0.00 175.35 176.60 1xmi s ASP 565 N 1.83 6.38 0.21 1.43 3.68 -1.26 -4.97 116.67 123.97 1xmi s ASP 565 Ca 0.73 -0.05 0.03 0.00 2.13 0.00 0.00 52.55 55.39 1xmi s ASP 565 Cb -0.43 -2.54 -0.05 0.00 -1.45 0.00 0.00 42.92 38.45 1xmi s ASP 565 CO 0.32 -1.52 -0.02 0.00 0.13 0.00 0.00 175.17 174.09 1xmi s ALA 566 N 4.98 1.72 -0.50 3.66 0.00 -1.26 -4.91 121.76 125.44 1xmi s ALA 566 Ca 0.40 -1.71 0.23 0.00 0.00 0.00 0.00 51.96 50.88 1xmi s ALA 566 Cb -0.08 0.44 0.21 0.00 0.00 0.00 0.00 23.12 23.68 1xmi s ALA 566 CO 0.23 -0.23 1.22 -0.44 0.00 0.00 0.00 175.76 176.53 1xmi h ASP 567 N 2.53 0.00 -3.29 0.00 3.32 -1.36 -3.44 116.42 114.19 1xmi h ASP 567 Ca -0.38 -0.15 -0.23 0.00 0.02 0.00 0.00 57.03 56.29 1xmi h ASP 567 Cb 1.22 0.00 -0.32 0.00 0.22 0.00 0.00 39.33 40.45 1xmi h ASP 567 CO 0.64 0.07 -0.56 -0.22 -1.72 0.00 0.00 179.24 177.46 1xmi s LEU 568 N -4.64 0.38 -0.17 1.55 2.96 -0.85 -1.96 118.68 115.95 1xmi s LEU 568 Ca 0.04 0.42 -0.03 0.00 -0.22 0.00 0.00 54.13 54.33 1xmi s LEU 568 Cb 0.12 0.52 -0.02 0.00 0.50 0.00 0.00 46.19 47.31 1xmi s LEU 568 CO 0.75 -0.18 -0.05 -0.31 -1.32 0.00 0.00 176.35 175.24 1xmi s TYR 569 N 1.50 2.97 -0.31 5.38 1.51 -0.27 -0.30 117.35 127.83 1xmi s TYR 569 Ca -0.06 -0.53 -0.02 0.00 -1.01 0.00 0.00 57.07 55.44 1xmi s TYR 569 Cb -0.11 -1.99 0.06 0.00 -0.11 0.00 0.00 41.96 39.80 1xmi s TYR 569 CO -0.07 -0.22 0.02 -0.51 -1.11 0.00 0.00 175.55 173.66 1xmi s LEU 570 N 0.73 4.06 -0.40 -1.29 1.43 0.14 -0.41 118.68 122.94 1xmi s LEU 570 Ca -0.02 -1.36 -0.04 0.00 -1.03 0.00 0.00 54.13 51.67 1xmi s LEU 570 Cb -0.15 -1.73 0.10 0.00 0.03 0.00 0.00 46.19 44.45 1xmi s LEU 570 CO 0.02 -0.29 0.20 -0.76 0.23 0.00 0.00 176.35 175.75 1xmi s LEU 571 N 1.24 5.11 -0.93 1.79 2.01 0.09 -0.40 118.68 127.59 1xmi s LEU 571 Ca -0.03 -1.83 -0.18 0.00 0.01 0.00 0.00 54.13 52.09 1xmi s LEU 571 Cb -0.20 -1.86 0.14 0.00 0.01 0.00 0.00 46.19 44.28 1xmi s LEU 571 CO -0.01 -0.52 1.10 -0.62 1.01 0.00 0.00 176.35 177.30 1xmi s ASP 572 N 1.89 6.66 -1.17 2.29 -1.08 0.60 -1.02 116.67 124.84 1xmi s ASP 572 Ca 0.05 -2.16 -0.29 0.00 -0.52 0.00 0.00 52.55 49.64 1xmi s ASP 572 Cb -0.23 -2.38 0.03 0.00 -1.46 0.00 0.00 42.92 38.88 1xmi s ASP 572 CO -0.02 -0.99 0.72 -0.24 0.52 0.00 0.00 175.17 175.15 1xmi n SER 573 N 6.21 -4.63 0.00 -0.34 2.88 -0.94 -2.91 113.62 113.89 1xmi n SER 573 Ca 0.23 -1.18 0.12 0.00 -1.33 0.00 0.00 58.87 56.72 1xmi n SER 573 Cb 0.49 -2.30 0.59 0.00 -0.75 0.00 0.00 64.21 62.24 1xmi n SER 573 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1xmi n PRO 574 N -4.64 0.18 -0.02 -1.46 -0.04 -1.26 -3.64 135.00 124.12 1xmi n PRO 574 Ca -0.11 0.05 0.11 0.00 -0.04 0.00 0.00 63.50 63.51 1xmi n PRO 574 Cb 0.58 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.64 1xmi n PRO 574 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1xmi n PHE 575 N -1.40 0.06 -0.09 0.54 3.72 -1.26 -4.67 117.46 114.36 1xmi n PHE 575 Ca 0.09 -0.03 0.22 0.00 -0.05 0.00 0.00 57.45 57.68 1xmi n PHE 575 Cb 0.25 -0.00 0.67 0.00 -0.94 0.00 0.00 39.48 39.47 1xmi n PHE 575 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1xmi h GLY 576 N 4.21 0.12 -2.45 1.37 0.00 -1.96 -1.18 103.07 103.19 1xmi h GLY 576 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1xmi h GLY 576 CO 0.00 0.01 0.00 -1.72 0.00 0.00 0.00 176.54 174.83 1xmi n TYR 577 N -4.36 0.79 -4.01 5.60 0.53 -1.26 -4.92 117.16 109.53 1xmi n TYR 577 Ca 0.14 -0.40 -0.29 0.00 -1.02 0.00 0.00 57.90 56.33 1xmi n TYR 577 Cb 0.72 0.00 -0.05 0.00 -1.03 0.00 0.00 39.34 38.98 1xmi n TYR 577 CO 0.00 0.00 0.00 -0.51 -1.02 0.00 0.00 176.86 175.33 1xmi s LEU 578 N -1.15 4.04 0.93 7.72 1.02 -0.45 -3.59 118.68 127.20 1xmi s LEU 578 Ca 0.44 0.06 -0.12 0.00 0.02 0.00 0.00 54.13 54.54 1xmi s LEU 578 Cb 0.24 -2.66 0.15 0.00 0.02 0.00 0.00 46.19 43.94 1xmi s LEU 578 CO 0.32 0.13 1.09 1.51 0.02 0.00 0.00 176.35 179.41 1xmi s ASP 579 N -2.74 3.16 0.18 2.29 3.84 -1.26 -4.81 116.67 117.32 1xmi s ASP 579 Ca 0.32 1.39 -0.14 0.00 -0.00 0.00 0.00 52.55 54.12 1xmi s ASP 579 Cb -0.12 -2.07 0.15 0.00 -1.38 0.00 0.00 42.92 39.50 1xmi s ASP 579 CO 0.25 -2.82 1.73 0.58 -0.00 0.00 0.00 175.17 174.90 1xmi h VAL 580 N -1.68 0.77 -0.24 2.11 2.07 -1.96 -1.78 116.25 115.54 1xmi h VAL 580 Ca -0.51 -0.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.80 1xmi h VAL 580 Cb 1.30 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1xmi h VAL 580 CO 0.55 0.04 -0.33 -0.07 0.02 0.00 0.00 177.57 177.79 1xmi h LEU 581 N 0.24 0.71 -0.80 2.57 3.38 -1.99 -1.57 115.31 117.84 1xmi h LEU 581 Ca 0.22 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 1xmi h LEU 581 Cb 0.27 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 1xmi h LEU 581 CO -0.28 1.07 0.40 0.74 0.09 0.00 0.00 178.44 180.46 1xmi h THR 582 N 0.36 1.25 -0.33 0.22 2.02 -1.93 -1.22 112.91 113.28 1xmi h THR 582 Ca 0.03 -0.69 0.03 0.00 0.77 0.00 0.00 66.41 66.55 1xmi h THR 582 Cb 0.91 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.51 1xmi h THR 582 CO 0.08 0.30 0.15 -0.08 0.37 0.00 0.00 175.52 176.33 1xmi h GLU 583 N 1.13 0.31 -0.38 6.66 4.81 -1.17 -0.80 114.58 125.14 1xmi h GLU 583 Ca 0.28 -0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.50 1xmi h GLU 583 Cb 0.10 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1xmi h GLU 583 CO -0.04 0.20 0.24 0.87 -0.73 0.00 0.00 179.01 179.56 1xmi h LYS 584 N 0.32 0.48 -0.31 1.92 1.57 -0.98 -0.12 116.57 119.44 1xmi h LYS 584 Ca 0.14 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1xmi h LYS 584 Cb 0.07 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 1xmi h LYS 584 CO -0.11 0.31 0.04 0.93 -0.57 0.00 0.00 179.45 180.05 1xmi h GLU 585 N 0.49 0.53 -0.07 3.15 5.08 -1.03 -2.10 114.58 120.62 1xmi h GLU 585 Ca 0.15 -0.15 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 1xmi h GLU 585 Cb -0.03 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 1xmi h GLU 585 CO -0.05 0.63 -0.77 0.82 -1.00 0.00 0.00 179.01 178.65 1xmi h ILE 586 N 0.35 1.37 -0.70 3.13 2.04 -1.09 0.26 117.51 122.86 1xmi h ILE 586 Ca 0.09 -2.17 0.06 0.00 1.00 0.00 0.00 64.86 63.84 1xmi h ILE 586 Cb 0.37 2.15 -0.05 0.00 -0.74 0.00 0.00 36.82 38.54 1xmi h ILE 586 CO 0.01 0.66 0.41 0.15 0.00 0.00 0.00 178.15 179.37 1xmi h PHE 587 N 0.29 0.75 0.11 1.37 3.04 -0.97 0.11 116.94 121.65 1xmi h PHE 587 Ca -0.04 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.93 1xmi h PHE 587 Cb 1.36 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 39.63 1xmi h PHE 587 CO 0.05 0.37 -0.05 1.49 -2.02 0.00 0.00 178.31 178.15 1xmi h GLU 588 N 0.76 -0.14 -0.12 1.11 4.57 -1.17 -1.22 114.58 118.35 1xmi h GLU 588 Ca 0.31 0.01 -0.19 0.00 -1.18 0.00 0.00 59.36 58.31 1xmi h GLU 588 Cb 0.16 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.78 1xmi h GLU 588 CO -0.17 0.27 -0.70 0.66 -1.18 0.00 0.00 179.01 177.89 1xmi h SER 589 N -0.60 0.64 0.00 1.04 4.64 -0.88 -1.31 113.55 117.08 1xmi h SER 589 Ca -0.02 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1xmi h SER 589 Cb 0.48 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1xmi h SER 589 CO 0.03 1.15 -0.05 0.00 -0.87 0.00 0.00 176.83 177.09 1xmi h VAL 591 N -0.08 1.22 0.05 0.00 2.07 -1.51 -1.68 116.25 116.32 1xmi h VAL 591 Ca 0.00 -0.53 -0.32 0.00 0.82 0.00 0.00 66.70 66.66 1xmi h VAL 591 Cb 0.05 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.07 1xmi h VAL 591 CO 0.00 0.24 -1.85 0.00 0.02 0.00 0.00 177.57 175.98 1xmi n LYS 593 N -3.22 0.33 0.23 0.00 5.02 -0.50 -3.76 118.16 116.26 1xmi n LYS 593 Ca -0.24 0.14 0.06 0.00 -2.02 0.00 0.00 58.31 56.26 1xmi n LYS 593 Cb 1.05 -1.09 0.55 0.00 -0.02 0.00 0.00 35.03 35.52 1xmi n LYS 593 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1xmi h LEU 594 N -0.62 0.02 -3.23 -0.35 5.85 -1.16 -2.89 115.31 112.94 1xmi h LEU 594 Ca 0.00 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1xmi h LEU 594 Cb 0.60 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.63 1xmi h LEU 594 CO 0.00 0.13 0.00 0.23 -0.34 0.00 0.00 178.44 178.46 1xmi n MET 595 N -4.41 3.27 0.01 1.25 2.81 -0.65 -4.73 117.12 114.67 1xmi n MET 595 Ca -0.02 -2.76 0.13 0.00 -1.81 0.00 0.00 57.70 53.24 1xmi n MET 595 Cb 0.18 -1.81 0.58 0.00 -0.71 0.00 0.00 33.22 31.47 1xmi n MET 595 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xmi h ALA 596 N 2.36 2.15 -0.17 3.04 0.00 -1.60 -1.22 119.26 123.83 1xmi h ALA 596 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1xmi h ALA 596 Cb 1.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1xmi h ALA 596 CO 0.22 -0.26 0.00 0.09 0.00 0.00 0.00 179.25 179.30 1xmi n ASN 597 N -4.46 2.88 -4.91 0.00 3.02 -1.26 -4.81 115.26 105.73 1xmi n ASN 597 Ca 0.07 -1.92 -0.32 0.00 -0.03 0.00 0.00 54.58 52.38 1xmi n ASN 597 Cb 0.38 -0.10 -0.04 0.00 -0.61 0.00 0.00 39.78 39.40 1xmi n ASN 597 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xmi s LYS 598 N -1.80 3.48 -0.04 3.52 -0.14 -0.46 -4.01 119.74 120.29 1xmi s LYS 598 Ca 0.33 -0.33 -0.30 0.00 -1.36 0.00 0.00 55.97 54.31 1xmi s LYS 598 Cb 0.21 -3.03 -0.03 0.00 -1.68 0.00 0.00 37.83 33.30 1xmi s LYS 598 CO 0.31 0.60 1.11 0.99 -0.76 0.00 0.00 175.35 177.60 1xmi s THR 599 N -1.48 4.47 -0.01 2.17 2.01 -1.26 -4.11 115.64 117.43 1xmi s THR 599 Ca 0.34 1.77 -0.02 0.00 0.31 0.00 0.00 61.69 64.09 1xmi s THR 599 Cb -0.13 -4.13 0.00 0.00 0.01 0.00 0.00 72.50 68.25 1xmi s THR 599 CO 0.25 0.05 0.05 0.00 -0.69 0.00 0.00 174.62 174.27 1xmi s ARG 600 N 1.73 0.12 -0.19 4.92 1.70 -0.99 -1.12 118.95 125.11 1xmi s ARG 600 Ca 0.54 -0.05 0.00 0.00 -0.47 0.00 0.00 55.73 55.75 1xmi s ARG 600 Cb -0.23 0.05 0.02 0.00 -0.57 0.00 0.00 34.95 34.21 1xmi s ARG 600 CO 0.23 -0.02 -0.16 0.42 -1.08 0.00 0.00 175.30 174.69 1xmi s ILE 601 N -0.26 2.35 -0.19 4.99 1.01 0.45 -1.67 121.20 127.88 1xmi s ILE 601 Ca -0.03 -0.87 -0.01 0.00 0.00 0.00 0.00 60.65 59.74 1xmi s ILE 601 Cb -0.02 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.43 1xmi s ILE 601 CO 0.00 0.49 -0.14 -0.22 0.00 0.00 0.00 174.94 175.07 1xmi s LEU 602 N 1.32 2.44 -0.19 2.97 2.96 0.35 -0.73 118.68 127.81 1xmi s LEU 602 Ca 0.05 -0.54 -0.27 0.00 -0.22 0.00 0.00 54.13 53.15 1xmi s LEU 602 Cb -0.14 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 1xmi s LEU 602 CO -0.11 -0.00 0.92 -0.69 -1.32 0.00 0.00 176.35 175.15 1xmi s VAL 603 N 1.35 4.80 0.12 1.68 1.01 -0.18 -0.43 120.40 128.74 1xmi s VAL 603 Ca 0.05 1.79 -0.17 0.00 0.00 0.00 0.00 61.98 63.65 1xmi s VAL 603 Cb -0.14 -4.21 0.04 0.00 0.00 0.00 0.00 36.38 32.08 1xmi s VAL 603 CO -0.09 -0.06 0.43 0.28 0.00 0.00 0.00 175.10 175.67 1xmi s THR 604 N 2.58 0.06 -0.30 3.92 -1.32 -0.59 -2.21 115.64 117.78 1xmi s THR 604 Ca 0.41 -0.48 0.03 0.00 -1.21 0.00 0.00 61.69 60.43 1xmi s THR 604 Cb -0.16 -1.13 0.04 0.00 -1.51 0.00 0.00 72.50 69.74 1xmi s THR 604 CO 0.10 -0.26 0.77 -1.54 -2.21 0.00 0.00 174.62 171.48 1xmi n SER 605 N -0.20 1.61 -4.69 8.08 3.41 -1.26 -4.14 113.62 116.44 1xmi n SER 605 Ca -0.16 -1.46 -0.41 0.00 -0.26 0.00 0.00 58.87 56.58 1xmi n SER 605 Cb 0.64 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.52 1xmi n SER 605 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1xmi s LYS 606 N -0.53 4.34 0.24 4.33 -0.14 -1.26 -4.94 119.74 121.78 1xmi s LYS 606 Ca 0.04 0.90 -0.06 0.00 -1.36 0.00 0.00 55.97 55.50 1xmi s LYS 606 Cb 0.03 -3.53 0.30 0.00 -1.68 0.00 0.00 37.83 32.95 1xmi s LYS 606 CO 0.04 -0.17 1.88 1.98 -0.76 0.00 0.00 175.35 178.32 1xmi h MET 607 N 7.15 1.10 -0.85 1.68 1.85 -1.97 -2.02 114.93 121.86 1xmi h MET 607 Ca -0.34 -0.07 0.03 0.00 -0.61 0.00 0.00 59.70 58.71 1xmi h MET 607 Cb 1.16 -0.25 -0.05 0.00 0.43 0.00 0.00 31.60 32.89 1xmi h MET 607 CO 0.79 0.73 0.56 1.49 -0.40 0.00 0.00 176.91 180.08 1xmi h GLU 608 N 1.14 1.07 -0.43 0.39 4.81 -1.99 0.96 114.58 120.54 1xmi h GLU 608 Ca 0.37 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.48 1xmi h GLU 608 Cb 0.04 -0.24 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1xmi h GLU 608 CO -0.13 0.71 0.03 0.45 -0.73 0.00 0.00 179.01 179.33 1xmi h HIS 609 N 1.10 0.79 -0.96 0.92 3.86 -1.82 -1.01 115.15 118.03 1xmi h HIS 609 Ca 0.33 -0.13 0.01 0.00 -1.16 0.00 0.00 60.37 59.42 1xmi h HIS 609 Cb -0.04 -0.21 -0.05 0.00 1.06 0.00 0.00 27.41 28.17 1xmi h HIS 609 CO -0.02 0.78 0.62 -0.07 0.86 0.00 0.00 177.93 180.10 1xmi h LEU 610 N 0.58 1.12 -0.23 2.43 4.07 -1.06 -1.69 115.31 120.52 1xmi h LEU 610 Ca 0.12 -0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1xmi h LEU 610 Cb 0.45 -0.28 -0.01 0.00 1.08 0.00 0.00 40.66 41.90 1xmi h LEU 610 CO 0.02 0.82 0.11 0.11 -1.08 0.00 0.00 178.44 178.42 1xmi h LYS 611 N 1.31 0.33 0.00 1.13 1.57 -0.43 -3.11 116.57 117.37 1xmi h LYS 611 Ca 0.35 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.99 1xmi h LYS 611 Cb -0.13 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.11 1xmi h LYS 611 CO -0.07 0.34 -0.45 -0.22 -0.57 0.00 0.00 179.45 178.48 1xmi h LYS 612 N 0.25 0.00 -7.03 3.15 1.63 -0.99 -3.46 116.57 110.12 1xmi h LYS 612 Ca 0.08 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 59.33 1xmi h LYS 612 Cb 0.11 0.00 0.13 0.00 -0.60 0.00 0.00 32.23 31.87 1xmi h LYS 612 CO -0.01 0.45 0.64 0.00 -3.45 0.00 0.00 179.45 177.07 1xmi s ALA 613 N -4.02 2.95 0.07 5.00 0.00 -0.65 -4.94 121.76 120.17 1xmi s ALA 613 Ca -0.02 1.38 -0.17 0.00 0.00 0.00 0.00 51.96 53.14 1xmi s ALA 613 Cb 0.14 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.57 1xmi s ALA 613 CO 0.74 -1.33 1.39 -0.44 0.00 0.00 0.00 175.76 176.12 1xmi h ASP 614 N 1.72 0.59 -4.20 0.00 3.32 -1.52 -3.46 116.42 112.87 1xmi h ASP 614 Ca -0.51 -0.47 -0.40 0.00 0.02 0.00 0.00 57.03 55.67 1xmi h ASP 614 Cb 1.29 -0.17 -0.19 0.00 0.22 0.00 0.00 39.33 40.49 1xmi h ASP 614 CO 0.58 0.94 -0.76 -0.54 -1.72 0.00 0.00 179.24 177.74 1xmi s LYS 615 N -4.36 0.95 0.11 3.56 -0.14 -1.02 -4.62 119.74 114.23 1xmi s LYS 615 Ca -0.13 -1.16 0.08 0.00 -1.36 0.00 0.00 55.97 53.40 1xmi s LYS 615 Cb 0.07 -0.82 -0.04 0.00 -1.68 0.00 0.00 37.83 35.37 1xmi s LYS 615 CO 0.80 0.16 -0.21 0.96 -0.76 0.00 0.00 175.35 176.30 1xmi s ILE 616 N -2.01 1.76 -0.17 2.17 -4.36 0.21 -1.50 121.20 117.30 1xmi s ILE 616 Ca 0.06 -1.62 -0.01 0.00 -0.26 0.00 0.00 60.65 58.82 1xmi s ILE 616 Cb -0.06 -1.63 0.05 0.00 1.25 0.00 0.00 42.46 42.07 1xmi s ILE 616 CO 0.02 -0.10 -0.02 -0.22 0.24 0.00 0.00 174.94 174.87 1xmi s LEU 617 N -2.04 1.40 -0.27 0.37 0.20 0.95 -2.26 118.68 117.03 1xmi s LEU 617 Ca 0.08 -0.66 -0.13 0.00 0.69 0.00 0.00 54.13 54.11 1xmi s LEU 617 Cb -0.09 -0.77 -0.04 0.00 -0.43 0.00 0.00 46.19 44.86 1xmi s LEU 617 CO 0.05 -0.23 0.28 -0.63 -0.29 0.00 0.00 176.35 175.53 1xmi s ILE 618 N 1.73 5.25 -0.11 6.68 -1.09 0.19 -1.09 121.20 132.77 1xmi s ILE 618 Ca 0.00 0.37 -0.06 0.00 -2.23 0.00 0.00 60.65 58.73 1xmi s ILE 618 Cb -0.16 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.07 1xmi s ILE 618 CO -0.07 0.22 0.14 -0.76 -1.23 0.00 0.00 174.94 173.24 1xmi s LEU 619 N 1.80 4.37 -0.17 2.97 1.02 0.60 -0.25 118.68 129.01 1xmi s LEU 619 Ca 0.11 0.45 -0.03 0.00 0.02 0.00 0.00 54.13 54.67 1xmi s LEU 619 Cb -0.16 -2.13 0.06 0.00 0.02 0.00 0.00 46.19 43.98 1xmi s LEU 619 CO 0.10 0.39 0.05 -2.28 0.02 0.00 0.00 176.35 174.63 1xmi s HIS 620 N -1.06 0.64 -1.59 0.29 5.65 0.26 -4.31 115.29 115.17 1xmi s HIS 620 Ca 0.16 -0.54 -0.13 0.00 0.25 0.00 0.00 55.06 54.80 1xmi s HIS 620 Cb -0.12 -0.86 0.10 0.00 -1.18 0.00 0.00 32.58 30.52 1xmi s HIS 620 CO 0.06 -0.53 0.72 0.39 -0.65 0.00 0.00 174.74 174.73 1xmi n GLU 621 N 5.15 -3.59 -0.17 2.88 1.02 -1.26 -1.27 120.64 123.41 1xmi n GLU 621 Ca -0.08 0.42 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1xmi n GLU 621 Cb 0.48 -5.01 0.00 0.00 -0.02 0.00 0.00 31.44 26.90 1xmi n GLU 621 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xmi n GLY 622 N -1.61 1.49 3.68 0.62 0.00 -0.23 -4.92 105.19 104.22 1xmi n GLY 622 Ca -0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 1xmi n GLY 622 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xmi s SER 623 N -3.13 4.82 -0.44 1.61 0.01 -0.39 -0.63 113.70 115.55 1xmi s SER 623 Ca 0.00 -0.45 -0.29 0.00 1.31 0.00 0.00 55.95 56.52 1xmi s SER 623 Cb 0.00 -1.02 0.02 0.00 0.21 0.00 0.00 66.02 65.22 1xmi s SER 623 CO 0.00 0.04 1.35 -0.55 0.41 0.00 0.00 173.24 174.48 1xmi s SER 624 N -3.33 6.39 -0.07 2.44 0.15 -1.26 -0.57 113.70 117.44 1xmi s SER 624 Ca 0.30 0.68 -0.21 0.00 0.70 0.00 0.00 55.95 57.42 1xmi s SER 624 Cb -0.08 -2.54 -0.30 0.00 -1.71 0.00 0.00 66.02 61.39 1xmi s SER 624 CO 0.20 -1.42 0.80 0.22 1.20 0.00 0.00 173.24 174.24 1xmi h TYR 625 N 10.39 0.48 -2.81 3.44 5.03 -0.95 -3.48 116.97 129.07 1xmi h TYR 625 Ca -0.26 -0.35 -0.13 0.00 2.58 0.00 0.00 58.73 60.57 1xmi h TYR 625 Cb 1.09 -0.02 -0.25 0.00 1.55 0.00 0.00 36.73 39.11 1xmi h TYR 625 CO 0.98 1.35 -0.28 0.12 -1.32 0.00 0.00 178.16 179.01 1xmi s PHE 626 N -2.43 -0.43 -0.05 -3.82 5.36 -1.12 -4.98 117.98 110.52 1xmi s PHE 626 Ca -0.16 1.03 -0.00 0.00 -0.96 0.00 0.00 56.93 56.84 1xmi s PHE 626 Cb 0.02 0.15 0.03 0.00 -0.34 0.00 0.00 43.02 42.87 1xmi s PHE 626 CO 0.80 -0.21 -0.00 -0.47 -1.46 0.00 0.00 175.22 173.88 1xmi s TYR 627 N 0.30 0.49 -2.49 10.12 5.04 -1.26 -0.64 117.35 128.91 1xmi s TYR 627 Ca -0.01 -0.07 0.00 0.00 -2.44 0.00 0.00 57.07 54.55 1xmi s TYR 627 Cb -0.03 -0.58 0.00 0.00 0.35 0.00 0.00 41.96 41.70 1xmi s TYR 627 CO -0.01 -0.20 0.00 0.41 -1.34 0.00 0.00 175.55 174.41 1xmi n GLY 628 N 4.51 -0.43 3.95 8.97 0.00 -0.96 -5.00 105.19 116.22 1xmi n GLY 628 Ca -0.18 -0.65 -0.20 0.00 0.00 0.00 0.00 46.02 44.98 1xmi n GLY 628 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xmi s THR 629 N -4.00 4.63 0.20 2.61 -4.23 -1.26 0.66 115.64 114.25 1xmi s THR 629 Ca 0.00 -1.08 -0.09 0.00 -1.18 0.00 0.00 61.69 59.34 1xmi s THR 629 Cb 0.00 -3.60 0.13 0.00 1.34 0.00 0.00 72.50 70.37 1xmi s THR 629 CO 0.00 -0.27 1.76 0.15 -0.54 0.00 0.00 174.62 175.72 1xmi h PHE 630 N 1.14 1.13 -0.24 3.99 3.57 -1.88 -2.64 116.94 122.02 1xmi h PHE 630 Ca -0.49 -0.09 0.03 0.00 3.53 0.00 0.00 57.97 60.95 1xmi h PHE 630 Cb 1.24 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.62 1xmi h PHE 630 CO 0.46 0.87 0.07 0.66 -2.23 0.00 0.00 178.31 178.14 1xmi h SER 631 N 1.06 0.07 -0.81 0.41 4.64 -1.94 0.40 113.55 117.38 1xmi h SER 631 Ca 0.24 0.03 0.12 0.00 -0.47 0.00 0.00 61.79 61.71 1xmi h SER 631 Cb 0.22 0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 62.26 1xmi h SER 631 CO -0.02 0.07 0.43 -0.33 -0.87 0.00 0.00 176.83 176.11 1xmi h GLU 632 N 0.17 0.65 -0.26 4.77 5.08 -1.94 -0.00 114.58 123.05 1xmi h GLU 632 Ca 0.10 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.23 1xmi h GLU 632 Cb 0.08 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1xmi h GLU 632 CO -0.12 0.43 -0.59 1.25 -1.00 0.00 0.00 179.01 178.99 1xmi h LEU 633 N 0.67 0.95 -0.93 1.33 5.85 -1.06 -1.20 115.31 120.91 1xmi h LEU 633 Ca 0.42 -0.53 -0.08 0.00 0.84 0.00 0.00 57.88 58.53 1xmi h LEU 633 Cb 0.50 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1xmi h LEU 633 CO -0.31 1.32 -0.12 1.56 -0.34 0.00 0.00 178.44 180.56 1xmi h GLN 634 N 0.64 0.64 -0.22 1.25 4.20 -0.58 0.54 115.11 121.58 1xmi h GLN 634 Ca 0.00 -0.20 -0.14 0.00 0.06 0.00 0.00 58.65 58.37 1xmi h GLN 634 Cb 1.19 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 1xmi h GLN 634 CO 0.13 0.75 -0.43 -0.91 -0.67 0.00 0.00 178.83 177.69 1xmi h ASN 635 N 0.59 0.58 0.14 1.46 2.35 -0.94 -2.45 115.58 117.32 1xmi h ASN 635 Ca 0.10 -0.27 -0.24 0.00 -0.55 0.00 0.00 56.30 55.34 1xmi h ASN 635 Cb 0.55 -0.16 0.03 0.00 0.05 0.00 0.00 38.32 38.78 1xmi h ASN 635 CO 0.03 0.94 -1.04 0.25 -1.65 0.00 0.00 177.43 175.96 1xmi h LEU 636 N 0.44 0.67 -6.77 1.61 5.85 -1.02 -3.42 115.31 112.68 1xmi h LEU 636 Ca 0.03 -0.89 -0.61 0.00 0.84 0.00 0.00 57.88 57.26 1xmi h LEU 636 Cb 0.94 -0.21 -0.40 0.00 0.37 0.00 0.00 40.66 41.36 1xmi h LEU 636 CO 0.08 1.50 -0.78 -1.58 -0.34 0.00 0.00 178.44 177.32 1xmi s GLN 637 N -2.71 1.53 0.26 1.25 0.74 0.19 -4.94 119.66 115.98 1xmi s GLN 637 Ca -0.11 -2.50 0.14 0.00 0.05 0.00 0.00 55.36 52.94 1xmi s GLN 637 Cb 0.03 -2.33 0.74 0.00 1.10 0.00 0.00 33.01 32.55 1xmi s GLN 637 CO 0.88 -1.29 1.34 -0.35 -0.55 0.00 0.00 175.29 175.32 1xmi n PRO 638 N 2.74 0.09 -0.16 1.67 -0.04 -0.92 -1.04 135.00 137.34 1xmi n PRO 638 Ca 0.21 0.56 -0.11 0.00 -0.04 0.00 0.00 63.50 64.12 1xmi n PRO 638 Cb 0.40 -1.96 0.02 0.00 -0.04 0.00 0.00 33.50 31.91 1xmi n PRO 638 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xmi h ASP 639 N 0.00 1.00 -1.42 3.54 3.45 -1.92 -3.40 116.42 117.68 1xmi h ASP 639 Ca 0.00 -0.37 0.46 0.00 0.43 0.00 0.00 57.03 57.55 1xmi h ASP 639 Cb 0.33 -0.28 -0.12 0.00 -0.56 0.00 0.00 39.33 38.70 1xmi h ASP 639 CO 0.00 1.16 0.94 0.15 -1.57 0.00 0.00 179.24 179.91 1xmi h PHE 640 N 0.85 0.43 -1.01 4.55 3.57 -1.42 0.68 116.94 124.60 1xmi h PHE 640 Ca 0.12 0.02 0.29 0.00 3.53 0.00 0.00 57.97 61.92 1xmi h PHE 640 Cb 0.76 -0.10 -0.14 0.00 2.79 0.00 0.00 35.95 39.26 1xmi h PHE 640 CO 0.05 -0.18 0.59 0.77 -2.23 0.00 0.00 178.31 177.31 1xmi h SER 641 N 0.06 0.59 -0.09 0.41 0.02 -1.82 -0.54 113.55 112.17 1xmi h SER 641 Ca 0.84 0.16 -0.20 0.00 -0.84 0.00 0.00 61.79 61.75 1xmi h SER 641 Cb 2.77 0.08 0.00 0.00 0.14 0.00 0.00 62.40 65.39 1xmi h SER 641 CO -0.36 -0.01 -0.66 0.77 -1.14 0.00 0.00 176.83 175.43 1xmi h SER 642 N 0.45 0.83 -0.36 3.07 4.64 0.05 -3.16 113.55 119.07 1xmi h SER 642 Ca 0.69 -0.49 -0.03 0.00 -0.47 0.00 0.00 61.79 61.49 1xmi h SER 642 Cb 1.47 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.29 1xmi h SER 642 CO -0.53 1.27 0.14 0.50 -0.87 0.00 0.00 176.83 177.34 1xmi h LYS 643 N 0.52 0.60 0.00 4.77 1.63 -1.27 -2.39 116.57 120.44 1xmi h LYS 643 Ca -0.02 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.69 1xmi h LYS 643 Cb 1.26 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.78 1xmi h LYS 643 CO 0.13 0.52 0.00 -0.07 -3.45 0.00 0.00 179.45 176.59 1xmi h LEU 644 N 0.60 0.00 -0.43 5.20 3.38 -1.13 -1.12 115.31 121.81 1xmi h LEU 644 Ca 0.14 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.94 1xmi h LEU 644 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xmi h LEU 644 CO -0.01 0.00 -0.53 -0.03 0.09 0.00 0.00 178.44 177.96 1xmi h MET 645 N 0.00 0.72 -2.15 1.13 4.05 -1.48 -3.30 114.93 113.89 1xmi h MET 645 Ca 0.00 -0.44 -0.33 0.00 -0.28 0.00 0.00 59.70 58.65 1xmi h MET 645 Cb 0.26 0.05 -0.08 0.00 -0.80 0.00 0.00 31.60 31.03 1xmi h MET 645 CO 0.00 1.06 0.42 0.41 0.23 0.00 0.00 176.91 179.03 1xmi n GLY 646 N 0.27 3.49 0.76 1.39 0.00 -0.42 -4.29 105.19 106.40 1xmi n GLY 646 Ca -0.03 -1.40 0.00 0.00 0.00 0.00 0.00 46.02 44.58 1xmi n GLY 646 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xmi s ASP 648 N -1.59 1.22 0.22 0.00 2.15 -1.26 -3.88 116.67 113.52 1xmi s ASP 648 Ca 0.00 -2.86 0.06 0.00 0.43 0.00 0.00 52.55 50.17 1xmi s ASP 648 Cb 0.00 -0.19 -0.03 0.00 -0.30 0.00 0.00 42.92 42.39 1xmi s ASP 648 CO 0.00 -0.17 0.23 -0.44 -0.17 0.00 0.00 175.17 174.62 1xmi s SER 649 N 0.23 5.80 0.47 -0.34 0.01 -1.26 -5.02 113.70 113.59 1xmi s SER 649 Ca 0.31 -0.10 0.20 0.00 1.31 0.00 0.00 55.95 57.68 1xmi s SER 649 Cb 0.02 -1.58 1.20 0.00 0.21 0.00 0.00 66.02 65.87 1xmi s SER 649 CO -0.17 -0.01 1.96 0.15 0.41 0.00 0.00 173.24 175.58 1xmi h PHE 650 N 1.72 0.27 0.00 2.43 3.04 -1.99 -2.67 116.94 119.75 1xmi h PHE 650 Ca -0.49 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 61.46 1xmi h PHE 650 Cb 1.22 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 39.64 1xmi h PHE 650 CO 0.53 0.11 -0.02 0.38 -2.02 0.00 0.00 178.31 177.29 1xmi h ASP 651 N 0.24 0.00 0.26 0.41 -0.00 -2.00 -1.86 116.42 113.46 1xmi h ASP 651 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.35 1xmi h ASP 651 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.24 1xmi h ASP 651 CO -0.07 0.02 -0.98 0.00 -0.00 0.00 0.00 179.24 178.21 1xmi n GLN 652 N -3.45 0.16 -1.71 4.15 3.00 -1.00 -4.98 117.38 113.54 1xmi n GLN 652 Ca -0.03 -0.02 -0.43 0.00 -0.01 0.00 0.00 57.00 56.52 1xmi n GLN 652 Cb 0.11 -1.54 -0.02 0.00 0.00 0.00 0.00 30.24 28.80 1xmi n GLN 652 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 1xmi n PHE 653 N -1.73 2.49 -1.12 1.08 3.01 -0.70 -4.99 117.46 115.50 1xmi n PHE 653 Ca 0.03 0.38 -0.29 0.00 1.01 0.00 0.00 57.45 58.58 1xmi n PHE 653 Cb 0.39 -2.51 0.20 0.00 -0.01 0.00 0.00 39.48 37.54 1xmi n PHE 653 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1xmi s SER 654 N 0.27 2.10 0.15 4.37 1.04 -1.26 -4.84 113.70 115.54 1xmi s SER 654 Ca 0.64 1.06 -0.13 0.00 0.48 0.00 0.00 55.95 57.99 1xmi s SER 654 Cb -0.57 -1.64 0.03 0.00 0.10 0.00 0.00 66.02 63.94 1xmi s SER 654 CO 0.52 -3.44 1.68 0.00 0.98 0.00 0.00 173.24 172.97 1xmi h ALA 655 N -2.11 0.66 0.00 5.32 0.00 -1.99 -2.07 119.26 119.07 1xmi h ALA 655 Ca -0.53 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.12 1xmi h ALA 655 Cb 1.33 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1xmi h ALA 655 CO 0.53 0.32 -0.32 1.05 0.00 0.00 0.00 179.25 180.83 1xmi h GLU 656 N 0.68 0.00 -0.05 0.00 4.11 -1.98 -0.89 114.58 116.44 1xmi h GLU 656 Ca 0.16 0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.53 1xmi h GLU 656 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1xmi h GLU 656 CO -0.00 0.32 -0.22 -0.09 0.07 0.00 0.00 179.01 179.09 1xmi h ARG 657 N 0.00 0.24 -0.62 1.06 2.43 -1.90 -1.69 114.38 113.91 1xmi h ARG 657 Ca -0.00 -0.19 0.04 0.00 -0.81 0.00 0.00 59.98 59.02 1xmi h ARG 657 Cb 0.84 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 1xmi h ARG 657 CO 0.04 0.83 0.36 0.00 -1.51 0.00 0.00 179.97 179.69 1xmi h ARG 658 N -0.29 0.68 0.00 0.20 3.08 -1.24 -2.09 114.38 114.72 1xmi h ARG 658 Ca -0.01 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.88 1xmi h ARG 658 Cb 0.86 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 1xmi h ARG 658 CO 0.05 0.45 -0.54 -0.91 -1.07 0.00 0.00 179.97 177.95 1xmi h ASN 659 N 0.70 0.00 -0.55 7.04 2.35 -1.22 -2.20 115.58 121.70 1xmi h ASN 659 Ca 0.26 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.91 1xmi h ASN 659 Cb 0.07 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 1xmi h ASN 659 CO -0.13 0.54 -0.04 -1.28 -1.65 0.00 0.00 177.43 174.87 1xmi h SER 660 N 0.00 1.00 -0.55 5.81 0.87 -0.98 -2.11 113.55 117.60 1xmi h SER 660 Ca -0.01 -0.30 -0.05 0.00 -1.23 0.00 0.00 61.79 60.21 1xmi h SER 660 Cb 1.02 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 1xmi h SER 660 CO 0.07 1.08 0.15 0.40 -0.53 0.00 0.00 176.83 178.00 1xmi h ILE 661 N 0.92 1.24 -0.67 2.23 2.04 -1.18 -2.13 117.51 119.95 1xmi h ILE 661 Ca 0.16 -0.84 -0.04 0.00 1.00 0.00 0.00 64.86 65.14 1xmi h ILE 661 Cb 0.59 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1xmi h ILE 661 CO 0.04 0.31 0.27 -0.07 0.00 0.00 0.00 178.15 178.69 1xmi h LEU 662 N 0.77 0.92 -0.36 1.44 3.38 -1.31 -1.78 115.31 118.37 1xmi h LEU 662 Ca 0.17 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1xmi h LEU 662 Cb 0.31 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1xmi h LEU 662 CO -0.00 0.84 -0.40 0.00 0.09 0.00 0.00 178.44 178.97 1xmi h THR 663 N 0.95 0.76 -0.45 0.22 1.03 -1.33 -0.65 112.91 113.44 1xmi h THR 663 Ca 0.22 -1.83 -0.08 0.00 -0.01 0.00 0.00 66.41 64.71 1xmi h THR 663 Cb 0.21 2.20 -0.02 0.00 -1.07 0.00 0.00 68.15 69.47 1xmi h THR 663 CO -0.02 0.39 -0.06 -0.33 -0.01 0.00 0.00 175.52 175.49 1xmi h GLU 664 N 0.00 0.78 -0.34 0.00 4.39 -1.23 0.28 114.58 118.46 1xmi h GLU 664 Ca -0.00 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.41 1xmi h GLU 664 Cb 1.17 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 1xmi h GLU 664 CO 0.05 0.82 0.02 1.15 -1.16 0.00 0.00 179.01 179.90 1xmi h THR 665 N 0.71 1.25 -0.56 1.13 2.02 -0.92 -3.06 112.91 113.49 1xmi h THR 665 Ca 0.13 -0.92 0.05 0.00 0.77 0.00 0.00 66.41 66.44 1xmi h THR 665 Cb 0.52 1.19 -0.05 0.00 -1.74 0.00 0.00 68.15 68.07 1xmi h THR 665 CO 0.03 0.30 0.29 -0.07 0.37 0.00 0.00 175.52 176.45 1xmi h LEU 666 N 0.40 0.43 -0.81 2.58 3.38 -0.97 -3.00 115.31 117.32 1xmi h LEU 666 Ca 0.10 0.03 0.13 0.00 0.09 0.00 0.00 57.88 58.23 1xmi h LEU 666 Cb 0.42 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.03 1xmi h LEU 666 CO 0.01 0.29 0.40 -0.09 0.09 0.00 0.00 178.44 179.14 1xmi h ARG 667 N 0.56 0.58 -0.50 1.13 2.43 -0.84 -0.24 114.38 117.50 1xmi h ARG 667 Ca 0.25 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 1xmi h ARG 667 Cb 0.15 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 1xmi h ARG 667 CO -0.17 0.39 0.14 0.00 -1.51 0.00 0.00 179.97 178.82 1xmi h ARG 668 N 0.60 0.75 -0.02 0.20 3.08 -1.43 -0.43 114.38 117.13 1xmi h ARG 668 Ca 0.43 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1xmi h ARG 668 Cb 0.58 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.51 1xmi h ARG 668 CO -0.34 0.66 -0.23 1.19 -1.07 0.00 0.00 179.97 180.18 1xmi n PHE 669 N -4.30 0.00 -0.01 3.04 3.72 -0.81 -4.52 117.46 114.58 1xmi n PHE 669 Ca 0.04 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.43 1xmi n PHE 669 Cb 0.20 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.73 1xmi n PHE 669 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1xmi n SER 670 N 0.50 4.62 -4.57 4.37 2.88 -0.17 -5.07 113.62 116.19 1xmi n SER 670 Ca 0.10 0.00 -0.25 0.00 -1.33 0.00 0.00 58.87 57.39 1xmi n SER 670 Cb 0.46 0.73 -0.09 0.00 -0.75 0.00 0.00 64.21 64.56 1xmi n SER 670 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1xmi s LEU 671 N -3.76 2.94 0.00 2.46 1.02 -0.18 -5.05 118.68 116.11 1xmi s LEU 671 Ca -0.01 -0.73 0.00 0.00 0.02 0.00 0.00 54.13 53.41 1xmi s LEU 671 Cb 0.01 -1.52 0.00 0.00 0.02 0.00 0.00 46.19 44.70 1xmi s LEU 671 CO 0.06 0.05 0.00 1.21 0.02 0.00 0.00 176.35 177.69