#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xmi s THR 390 N 0.00 1.86 0.18 1.09 -1.32 -1.10 -4.98 115.64 111.37 1xmi s THR 390 Ca 0.00 -2.15 -0.02 0.00 -1.21 0.00 0.00 61.69 58.31 1xmi s THR 390 Cb 0.00 -2.54 -0.04 0.00 -1.51 0.00 0.00 72.50 68.41 1xmi s THR 390 CO 0.00 -0.25 0.37 -0.70 -2.21 0.00 0.00 174.62 171.83 1xmi s GLU 391 N -3.69 3.53 -0.13 7.08 2.12 -1.26 -3.76 118.70 122.60 1xmi s GLU 391 Ca 0.31 -0.30 -0.00 0.00 0.36 0.00 0.00 54.97 55.34 1xmi s GLU 391 Cb 0.03 -2.86 0.03 0.00 0.26 0.00 0.00 34.13 31.59 1xmi s GLU 391 CO 0.14 0.43 -0.10 0.08 -0.54 0.00 0.00 175.26 175.27 1xmi s VAL 392 N -1.79 1.26 -0.06 3.70 1.01 -0.72 -4.19 120.40 119.59 1xmi s VAL 392 Ca 0.39 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.95 1xmi s VAL 392 Cb -0.11 -1.25 -0.00 0.00 0.00 0.00 0.00 36.38 35.02 1xmi s VAL 392 CO 0.28 0.38 -0.21 -0.69 0.00 0.00 0.00 175.10 174.85 1xmi s VAL 393 N 1.61 1.80 -0.08 2.92 1.01 0.42 -1.33 120.40 126.74 1xmi s VAL 393 Ca 0.04 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1xmi s VAL 393 Cb -0.13 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.73 1xmi s VAL 393 CO -0.09 0.50 -0.11 -0.04 0.00 0.00 0.00 175.10 175.36 1xmi s MET 394 N 0.10 1.71 -0.20 2.72 -1.94 -0.17 -0.26 119.30 121.24 1xmi s MET 394 Ca -0.09 -0.39 0.01 0.00 -1.71 0.00 0.00 55.69 53.52 1xmi s MET 394 Cb -0.14 -1.50 0.04 0.00 2.01 0.00 0.00 34.83 35.24 1xmi s MET 394 CO 0.05 -0.06 -0.10 -1.21 -0.01 0.00 0.00 175.02 173.68 1xmi s GLU 395 N 0.97 2.06 -1.62 2.03 2.02 0.08 -2.32 118.70 121.92 1xmi s GLU 395 Ca -0.09 -0.87 -0.12 0.00 0.02 0.00 0.00 54.97 53.91 1xmi s GLU 395 Cb -0.15 -2.45 0.10 0.00 0.10 0.00 0.00 34.13 31.74 1xmi s GLU 395 CO 0.00 -0.43 0.58 0.09 0.02 0.00 0.00 175.26 175.52 1xmi n ASN 396 N 4.67 -1.88 -4.69 -0.19 4.13 -1.10 -1.32 115.26 114.88 1xmi n ASN 396 Ca -0.15 -1.06 -0.41 0.00 1.68 0.00 0.00 54.58 54.64 1xmi n ASN 396 Cb 0.46 -2.63 -0.04 0.00 -1.54 0.00 0.00 39.78 36.04 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 -3.60 4.90 -0.03 2.41 1.01 -0.94 -3.49 120.40 120.67 1xmi s VAL 397 Ca 0.46 1.75 0.05 0.00 0.00 0.00 0.00 61.98 64.24 1xmi s VAL 397 Cb -0.25 -4.18 -0.01 0.00 0.00 0.00 0.00 36.38 31.93 1xmi s VAL 397 CO 0.93 0.11 -0.16 -0.89 0.00 0.00 0.00 175.10 175.09 1xmi s THR 398 N 1.51 1.31 -0.00 3.92 2.01 -1.08 -0.83 115.64 122.49 1xmi s THR 398 Ca 0.43 -0.68 -0.06 0.00 0.31 0.00 0.00 61.69 61.68 1xmi s THR 398 Cb -0.18 -1.11 0.00 0.00 0.01 0.00 0.00 72.50 71.22 1xmi s THR 398 CO 0.18 0.38 0.12 0.00 -0.69 0.00 0.00 174.62 174.61 1xmi s ALA 399 N -0.18 -0.28 -0.04 7.40 0.00 -0.30 -0.15 121.76 128.20 1xmi s ALA 399 Ca 0.02 -0.14 0.07 0.00 0.00 0.00 0.00 51.96 51.91 1xmi s ALA 399 Cb -0.08 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1xmi s ALA 399 CO 0.00 -0.19 -0.24 -0.06 0.00 0.00 0.00 175.76 175.27 1xmi s PHE 400 N -1.27 2.41 0.20 0.00 0.40 -1.26 -1.17 117.98 117.29 1xmi s PHE 400 Ca -0.14 -0.52 -0.05 0.00 -0.60 0.00 0.00 56.93 55.62 1xmi s PHE 400 Cb -0.07 -1.55 0.14 0.00 0.51 0.00 0.00 43.02 42.05 1xmi s PHE 400 CO 0.01 -0.09 1.60 -1.49 0.70 0.00 0.00 175.22 175.96 1xmi h TRP 401 N 5.71 0.92 -3.41 0.36 4.06 -1.91 -3.42 115.95 118.26 1xmi h TRP 401 Ca -0.39 -0.22 -0.54 0.00 2.06 0.00 0.00 58.89 59.80 1xmi h TRP 401 Cb 1.15 -0.22 -0.02 0.00 -1.00 0.00 0.00 29.16 29.07 1xmi h TRP 401 CO 0.42 0.97 0.37 -1.21 -3.56 0.00 0.00 178.44 175.42 1xmi s GLU 402 N -4.57 4.56 0.43 0.49 8.01 -1.26 -4.95 118.70 121.40 1xmi s GLU 402 Ca -0.10 1.42 0.12 0.00 0.01 0.00 0.00 54.97 56.43 1xmi s GLU 402 Cb 0.13 -3.46 0.93 0.00 -4.31 0.00 0.00 34.13 27.42 1xmi s GLU 402 CO 0.84 -0.04 1.97 0.93 0.01 0.00 0.00 175.26 178.97 1xmi h GLU 403 N 6.77 0.11 -0.19 1.61 5.08 -2.02 -3.16 114.58 122.77 1xmi h GLU 403 Ca -0.41 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1xmi h GLU 403 Cb 1.22 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 1xmi h GLU 403 CO 0.75 0.25 0.11 0.78 -1.00 0.00 0.00 179.01 179.90 1xmi h GLY 404 N 0.60 0.28 1.60 -3.84 0.00 -1.97 -2.83 103.07 96.90 1xmi h GLY 404 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.23 1xmi h GLY 404 CO 0.02 0.12 0.00 0.69 0.00 0.00 0.00 176.54 177.37 1xmi n PHE 405 N -4.91 0.00 0.27 5.60 3.01 -1.20 -3.81 117.46 116.43 1xmi n PHE 405 Ca -0.04 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.31 1xmi n PHE 405 Cb 0.07 -0.30 -0.05 0.00 -0.01 0.00 0.00 39.48 39.19 1xmi n PHE 405 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1xmi h GLY 406 N 4.41 -0.75 2.00 1.37 0.00 -1.52 -2.87 103.07 105.71 1xmi h GLY 406 Ca 0.00 0.28 -0.04 0.00 0.00 0.00 0.00 47.33 47.57 1xmi h GLY 406 CO 0.00 -0.27 -0.17 1.05 0.00 0.00 0.00 176.54 177.15 1xmi h GLU 407 N -0.86 0.00 -0.35 4.80 4.11 -1.71 -2.98 114.58 117.59 1xmi h GLU 407 Ca -0.07 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.27 1xmi h GLU 407 Cb 0.55 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 1xmi h GLU 407 CO 0.12 0.17 -0.15 -0.07 0.07 0.00 0.00 179.01 179.15 1xmi h LEU 408 N 0.00 0.62 -0.75 3.06 3.38 -1.66 -1.96 115.31 118.01 1xmi h LEU 408 Ca -0.00 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.65 1xmi h LEU 408 Cb 0.81 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 1xmi h LEU 408 CO 0.02 0.79 -0.60 0.15 0.09 0.00 0.00 178.44 178.89 1xmi h PHE 409 N 0.57 0.13 0.00 1.13 3.57 -1.42 -3.12 116.94 117.81 1xmi h PHE 409 Ca 0.10 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1xmi h PHE 409 Cb 0.58 -0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.30 1xmi h PHE 409 CO 0.02 0.67 0.00 0.39 -2.23 0.00 0.00 178.31 177.17 1xmi n GLU 410 N -3.85 0.87 -1.05 1.11 4.71 -0.74 -5.09 120.64 116.60 1xmi n GLU 410 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.13 1xmi n GLU 410 Cb 0.60 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.71 1xmi n GLU 410 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1xmi n LYS 411 N 0.22 0.76 0.00 3.49 4.01 -1.18 -5.02 118.16 120.44 1xmi n LYS 411 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1xmi n LYS 411 Cb 0.28 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.80 1xmi n LYS 411 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1xmi n SER 429 N -1.31 0.00 -4.81 4.39 3.41 -1.26 -5.12 113.62 108.93 1xmi n SER 429 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.25 1xmi n SER 429 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1xmi n SER 429 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1xmi s PHE 430 N 0.00 3.53 0.00 7.33 5.36 -1.26 -5.10 117.98 127.85 1xmi s PHE 430 Ca 0.00 0.52 0.00 0.00 -0.96 0.00 0.00 56.93 56.49 1xmi s PHE 430 Cb 0.00 -2.10 -0.00 0.00 -0.34 0.00 0.00 43.02 40.58 1xmi s PHE 430 CO 0.00 0.52 -0.00 -1.54 -1.46 0.00 0.00 175.22 172.73 1xmi s SER 431 N -0.38 0.04 -0.42 6.13 1.04 -1.26 -5.11 113.70 113.74 1xmi s SER 431 Ca 0.14 -0.05 0.02 0.00 0.48 0.00 0.00 55.95 56.54 1xmi s SER 431 Cb -0.12 0.01 0.15 0.00 0.10 0.00 0.00 66.02 66.16 1xmi s SER 431 CO 0.03 -0.03 0.29 0.21 0.98 0.00 0.00 173.24 174.72 1xmi s ASN 432 N -0.16 2.61 0.38 7.02 3.84 -1.26 -4.97 114.94 122.41 1xmi s ASN 432 Ca -0.02 -2.78 0.28 0.00 0.21 0.00 0.00 52.86 50.55 1xmi s ASN 432 Cb -0.01 -0.64 1.11 0.00 -0.55 0.00 0.00 41.25 41.17 1xmi s ASN 432 CO -0.00 -0.22 1.82 -0.26 -2.79 0.00 0.00 177.10 175.65 1xmi h PHE 433 N 6.25 0.00 0.00 0.43 0.04 -2.00 -3.08 116.94 118.58 1xmi h PHE 433 Ca 0.14 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.91 1xmi h PHE 433 Cb 0.92 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.07 1xmi h PHE 433 CO 0.40 0.00 0.00 0.66 -0.60 0.00 0.00 178.31 178.77 1xmi h SER 434 N 0.00 0.00 0.25 2.17 4.64 -1.92 -3.25 113.55 115.44 1xmi h SER 434 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1xmi h SER 434 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1xmi h SER 434 CO 0.00 0.00 -0.24 -0.07 -0.87 0.00 0.00 176.83 175.65 1xmi h LEU 435 N 0.00 0.00 -0.40 5.97 3.38 -1.94 -1.92 115.31 120.40 1xmi h LEU 435 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1xmi h LEU 435 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1xmi h LEU 435 CO 0.00 0.24 0.00 0.00 0.09 0.00 0.00 178.44 178.77 1xmi n LEU 436 N -4.21 0.58 -4.43 1.67 -0.00 -1.23 -4.66 117.00 104.72 1xmi n LEU 436 Ca -0.02 -0.28 -0.27 0.00 -0.00 0.00 0.00 56.01 55.44 1xmi n LEU 436 Cb 0.29 -0.06 -0.12 0.00 -0.00 0.00 0.00 43.42 43.53 1xmi n LEU 436 CO 0.37 0.14 -0.53 -0.83 -0.00 0.00 0.00 177.39 176.54 1xmi s GLY 437 N -1.16 1.71 -0.16 1.47 0.00 -0.72 -5.15 107.32 103.30 1xmi s GLY 437 Ca 0.14 -1.62 -0.01 0.00 0.00 0.00 0.00 44.72 43.22 1xmi s GLY 437 CO 0.10 -1.65 -0.10 -1.59 0.00 0.00 0.00 173.10 169.86 1xmi s THR 438 N -1.64 3.17 0.27 0.90 2.01 -1.26 -4.98 115.64 114.10 1xmi s THR 438 Ca 0.21 -0.60 -0.29 0.00 0.31 0.00 0.00 61.69 61.31 1xmi s THR 438 Cb -0.08 -2.37 -0.10 0.00 0.01 0.00 0.00 72.50 69.96 1xmi s THR 438 CO 0.10 0.49 1.32 -2.16 -0.69 0.00 0.00 174.62 173.69 1xmi s PRO 439 N 0.72 4.37 0.12 4.92 0.04 -1.26 -4.79 135.00 139.10 1xmi s PRO 439 Ca -0.05 2.16 -0.01 0.00 0.04 0.00 0.00 61.00 63.14 1xmi s PRO 439 Cb -0.15 -3.12 -0.16 0.00 0.04 0.00 0.00 34.50 31.10 1xmi s PRO 439 CO 0.02 -0.23 1.25 -0.24 0.04 0.00 0.00 177.00 177.84 1xmi h VAL 440 N 3.36 1.50 -4.04 -0.36 3.04 -1.52 -3.45 116.25 114.80 1xmi h VAL 440 Ca -0.47 -2.86 -0.47 0.00 -1.01 0.00 0.00 66.70 61.89 1xmi h VAL 440 Cb 1.22 2.70 -0.30 0.00 -2.01 0.00 0.00 31.29 32.90 1xmi h VAL 440 CO 0.72 0.84 -0.81 -0.76 -1.01 0.00 0.00 177.57 176.55 1xmi s LEU 441 N -7.29 1.95 -0.09 3.16 1.43 -1.16 -3.92 118.68 112.74 1xmi s LEU 441 Ca -0.03 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1xmi s LEU 441 Cb 0.09 -0.69 0.03 0.00 0.03 0.00 0.00 46.19 45.65 1xmi s LEU 441 CO 0.86 0.14 -0.00 -0.75 0.23 0.00 0.00 176.35 176.82 1xmi s LYS 442 N -0.12 0.71 -1.37 1.70 2.20 0.15 -1.15 119.74 121.86 1xmi s LYS 442 Ca 0.02 0.01 -0.02 0.00 -0.36 0.00 0.00 55.97 55.61 1xmi s LYS 442 Cb -0.07 -1.17 0.01 0.00 -1.51 0.00 0.00 37.83 35.09 1xmi s LYS 442 CO 0.00 -0.34 0.67 -3.47 -0.36 0.00 0.00 175.35 171.85 1xmi n ASP 443 N 5.12 -1.47 -4.72 1.43 2.03 -0.01 -4.19 116.55 114.74 1xmi n ASP 443 Ca -0.08 -0.86 -0.41 0.00 0.52 0.00 0.00 54.79 53.96 1xmi n ASP 443 Cb 0.50 -3.78 -0.04 0.00 -0.72 0.00 0.00 41.12 37.08 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 4.83 -0.07 5.18 -1.09 -0.13 -4.68 121.20 121.56 1xmi s ILE 444 Ca 0.10 1.95 -0.01 0.00 -2.23 0.00 0.00 60.65 60.46 1xmi s ILE 444 Cb -0.05 -4.27 0.03 0.00 -1.58 0.00 0.00 42.46 36.59 1xmi s ILE 444 CO 0.83 0.21 0.01 0.20 -1.23 0.00 0.00 174.94 174.96 1xmi s ASN 445 N 0.76 1.54 0.18 3.58 0.01 -1.26 -2.22 114.94 117.52 1xmi s ASN 445 Ca 0.48 -0.07 -0.21 0.00 -0.71 0.00 0.00 52.86 52.35 1xmi s ASN 445 Cb -0.21 -0.41 0.05 0.00 0.41 0.00 0.00 41.25 41.09 1xmi s ASN 445 CO 0.27 -0.20 0.58 0.72 -1.51 0.00 0.00 177.10 176.96 1xmi s PHE 446 N 1.98 -0.38 -0.15 2.20 -0.12 -0.98 -4.99 117.98 115.54 1xmi s PHE 446 Ca 0.05 0.09 -0.04 0.00 -0.05 0.00 0.00 56.93 56.98 1xmi s PHE 446 Cb -0.12 0.52 0.07 0.00 -0.63 0.00 0.00 43.02 42.86 1xmi s PHE 446 CO -0.05 -0.91 0.20 0.21 -0.05 0.00 0.00 175.22 174.62 1xmi s LYS 447 N -3.80 0.12 -0.13 1.99 2.20 -1.26 -1.00 119.74 117.86 1xmi s LYS 447 Ca 0.04 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.04 1xmi s LYS 447 Cb -0.01 -0.75 -0.01 0.00 -1.51 0.00 0.00 37.83 35.54 1xmi s LYS 447 CO -0.08 -0.48 -0.14 -1.50 -0.36 0.00 0.00 175.35 172.79 1xmi s ILE 448 N 2.32 2.98 0.66 5.43 1.10 -0.44 -5.00 121.20 128.24 1xmi s ILE 448 Ca 0.04 -0.69 -0.10 0.00 -0.51 0.00 0.00 60.65 59.40 1xmi s ILE 448 Cb -0.14 -2.25 0.01 0.00 0.15 0.00 0.00 42.46 40.23 1xmi s ILE 448 CO -0.09 0.52 1.03 -1.61 -2.11 0.00 0.00 174.94 172.68 1xmi s GLU 449 N 0.38 2.96 0.12 3.50 0.41 -1.26 -1.76 118.70 123.04 1xmi s GLU 449 Ca -0.11 0.36 -0.35 0.00 -0.41 0.00 0.00 54.97 54.46 1xmi s GLU 449 Cb -0.16 -2.10 -0.15 0.00 -1.78 0.00 0.00 34.13 29.94 1xmi s GLU 449 CO 0.06 -0.88 1.54 0.54 -0.49 0.00 0.00 175.26 176.02 1xmi n ARG 450 N -2.85 1.86 -0.99 1.61 1.74 -1.25 -1.97 116.66 114.81 1xmi n ARG 450 Ca 0.06 0.67 0.00 0.00 -0.77 0.00 0.00 57.85 57.81 1xmi n ARG 450 Cb 0.57 -2.41 0.00 0.00 -1.02 0.00 0.00 32.46 29.60 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 3.25 0.71 3.93 -0.13 0.00 -1.26 -4.88 105.19 106.81 1xmi n GLY 451 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.01 3.53 -0.26 1.61 -0.21 -0.83 -4.46 119.66 119.03 1xmi s GLN 452 Ca 0.00 -0.28 -0.08 0.00 0.02 0.00 0.00 55.36 55.02 1xmi s GLN 452 Cb 0.00 -2.74 -0.03 0.00 1.00 0.00 0.00 33.01 31.24 1xmi s GLN 452 CO 0.00 0.27 0.10 -1.17 -2.12 0.00 0.00 175.29 172.37 1xmi s LEU 453 N -3.75 3.59 -0.24 2.90 2.96 -1.26 -1.68 118.68 121.20 1xmi s LEU 453 Ca 0.40 -0.20 -0.13 0.00 -0.22 0.00 0.00 54.13 53.98 1xmi s LEU 453 Cb -0.10 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1xmi s LEU 453 CO 0.32 -0.05 0.29 -0.22 -1.32 0.00 0.00 176.35 175.37 1xmi s LEU 454 N 1.64 4.10 -0.19 -0.68 0.20 -0.16 -1.55 118.68 122.03 1xmi s LEU 454 Ca 0.06 0.27 -0.11 0.00 0.69 0.00 0.00 54.13 55.05 1xmi s LEU 454 Cb -0.15 -2.32 -0.05 0.00 -0.43 0.00 0.00 46.19 43.24 1xmi s LEU 454 CO 0.05 -0.06 0.17 0.00 -0.29 0.00 0.00 176.35 176.22 1xmi s ALA 455 N 1.48 3.66 -0.18 5.97 0.00 -0.50 -0.33 121.76 131.87 1xmi s ALA 455 Ca 0.13 -0.65 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 1xmi s ALA 455 Cb -0.15 -2.23 0.00 0.00 0.00 0.00 0.00 23.12 20.75 1xmi s ALA 455 CO 0.08 0.13 -0.14 0.08 0.00 0.00 0.00 175.76 175.91 1xmi s VAL 456 N 0.42 2.70 0.21 0.00 1.01 0.79 -0.49 120.40 125.04 1xmi s VAL 456 Ca 0.10 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.37 1xmi s VAL 456 Cb -0.12 -2.16 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1xmi s VAL 456 CO -0.00 0.50 -0.02 0.00 0.00 0.00 0.00 175.10 175.57 1xmi s ALA 457 N 1.07 1.70 0.00 5.51 0.00 -0.36 -1.13 121.76 128.54 1xmi s ALA 457 Ca -0.00 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.26 1xmi s ALA 457 Cb -0.15 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.38 1xmi s ALA 457 CO -0.04 -0.22 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1xmi n GLY 458 N -0.36 3.63 3.55 0.00 0.00 -1.17 -0.37 105.19 110.47 1xmi n GLY 458 Ca -0.06 -1.02 -0.30 0.00 0.00 0.00 0.00 46.02 44.64 1xmi n GLY 458 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xmi n SER 459 N 0.00 -0.85 -4.67 1.61 3.41 -0.90 -3.46 113.62 108.76 1xmi n SER 459 Ca 0.00 0.12 -0.46 0.00 -0.26 0.00 0.00 58.87 58.27 1xmi n SER 459 Cb 0.00 -1.34 -0.04 0.00 -0.26 0.00 0.00 64.21 62.57 1xmi n SER 459 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1xmi n THR 460 N -4.59 0.13 -0.85 6.66 5.66 -1.26 -1.99 114.28 118.05 1xmi n THR 460 Ca 0.07 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 1xmi n THR 460 Cb 0.53 -1.51 0.00 0.00 -1.55 0.00 0.00 70.33 67.81 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 3.21 0.68 0.23 1.09 0.00 -1.26 -4.92 105.19 104.21 1xmi n GLY 461 Ca 0.16 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 1.06 0.00 4.61 0.00 -1.73 -3.44 119.26 119.76 1xmi h ALA 462 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1xmi h ALA 462 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1xmi h ALA 462 CO 0.00 0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.92 1xmi n GLY 463 N 0.02 1.62 0.33 0.00 0.00 -1.26 -0.40 105.19 105.49 1xmi n GLY 463 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 -0.75 -0.80 1.61 1.57 -1.90 -1.42 116.57 114.87 1xmi h LYS 464 Ca 0.00 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1xmi h LYS 464 Cb 0.00 0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1xmi h LYS 464 CO 0.00 -0.47 0.53 1.15 -0.57 0.00 0.00 179.45 180.08 1xmi h THR 465 N -0.86 1.18 -0.59 -0.16 2.02 -1.99 -2.62 112.91 109.89 1xmi h THR 465 Ca -0.08 -0.36 0.04 0.00 0.77 0.00 0.00 66.41 66.78 1xmi h THR 465 Cb 0.63 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 1xmi h THR 465 CO 0.13 0.19 0.39 0.28 0.37 0.00 0.00 175.52 176.88 1xmi h SER 466 N 1.06 0.55 -0.62 4.18 0.02 -1.95 -0.11 113.55 116.68 1xmi h SER 466 Ca 0.30 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.22 1xmi h SER 466 Cb -0.08 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 1xmi h SER 466 CO -0.08 0.37 0.29 0.25 -1.14 0.00 0.00 176.83 176.52 1xmi h LEU 467 N 0.63 0.82 -0.61 5.07 5.85 -0.88 -0.91 115.31 125.28 1xmi h LEU 467 Ca 0.24 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 1xmi h LEU 467 Cb 0.17 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1xmi h LEU 467 CO -0.07 0.73 0.20 -0.07 -0.34 0.00 0.00 178.44 178.89 1xmi h LEU 468 N 0.86 0.89 -1.44 2.25 4.07 -1.12 -2.67 115.31 118.14 1xmi h LEU 468 Ca 0.21 -0.20 -0.01 0.00 0.08 0.00 0.00 57.88 57.96 1xmi h LEU 468 Cb 0.14 -0.23 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 1xmi h LEU 468 CO -0.02 0.86 0.26 0.24 -1.08 0.00 0.00 178.44 178.70 1xmi h MET 469 N 0.88 0.64 -0.26 1.13 2.86 -0.65 -1.25 114.93 118.29 1xmi h MET 469 Ca 0.20 -0.06 -0.16 0.00 -2.06 0.00 0.00 59.70 57.62 1xmi h MET 469 Cb 0.28 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 1xmi h MET 469 CO -0.01 0.47 -0.49 1.98 1.06 0.00 0.00 176.91 179.92 1xmi h MET 470 N 0.65 0.70 -0.35 1.72 1.85 -0.99 0.58 114.93 119.10 1xmi h MET 470 Ca 0.17 -0.41 -0.09 0.00 -0.61 0.00 0.00 59.70 58.76 1xmi h MET 470 Cb 0.01 0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.06 1xmi h MET 470 CO -0.03 1.03 -0.14 0.82 -0.40 0.00 0.00 176.91 178.19 1xmi h ILE 471 N 0.55 1.25 0.00 1.77 2.04 -1.10 -2.52 117.51 119.51 1xmi h ILE 471 Ca 0.02 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.75 1xmi h ILE 471 Cb 1.06 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.28 1xmi h ILE 471 CO 0.10 0.38 0.00 0.23 0.00 0.00 0.00 178.15 178.86 1xmi n MET 472 N -4.17 0.17 -0.26 2.37 2.81 -0.52 -4.93 117.12 112.60 1xmi n MET 472 Ca 0.01 0.18 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 1xmi n MET 472 Cb 0.36 -1.72 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 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 1.17 0.70 0.17 3.03 0.00 -0.52 -4.94 105.19 104.81 1xmi n GLY 473 Ca 0.06 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.10 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 4.10 0.00 -5.31 1.61 4.39 -1.18 -3.42 114.58 114.77 1xmi h GLU 474 Ca 0.00 0.00 -0.68 0.00 0.34 0.00 0.00 59.36 59.02 1xmi h GLU 474 Cb 0.00 0.00 -0.33 0.00 -0.10 0.00 0.00 28.75 28.32 1xmi h GLU 474 CO 0.00 0.45 -0.88 -1.17 -1.16 0.00 0.00 179.01 176.26 1xmi s LEU 475 N -7.54 2.08 -0.11 1.33 2.96 -1.12 -4.97 118.68 111.32 1xmi s LEU 475 Ca -0.01 -0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 53.31 1xmi s LEU 475 Cb 0.12 -1.40 -0.03 0.00 0.50 0.00 0.00 46.19 45.38 1xmi s LEU 475 CO 0.72 0.15 0.02 -1.61 -1.32 0.00 0.00 176.35 174.31 1xmi s GLU 476 N 0.37 3.20 0.37 1.98 2.02 -1.26 -4.31 118.70 121.08 1xmi s GLU 476 Ca -0.18 -0.39 -0.26 0.00 0.02 0.00 0.00 54.97 54.17 1xmi s GLU 476 Cb -0.18 -2.89 -0.09 0.00 0.10 0.00 0.00 34.13 31.07 1xmi s GLU 476 CO 0.08 0.62 1.09 -1.25 0.02 0.00 0.00 175.26 175.82 1xmi s PRO 477 N -0.64 4.26 0.04 0.39 0.04 -1.26 -4.20 135.00 133.64 1xmi s PRO 477 Ca 0.11 1.66 0.22 0.00 0.04 0.00 0.00 61.00 63.03 1xmi s PRO 477 Cb -0.12 -2.74 -0.08 0.00 0.04 0.00 0.00 34.50 31.60 1xmi s PRO 477 CO 0.02 -0.09 0.89 0.43 0.04 0.00 0.00 177.00 178.30 1xmi n SER 478 N 0.30 0.54 -3.80 6.66 7.64 0.78 -4.96 113.62 120.78 1xmi n SER 478 Ca 0.03 -0.20 -0.12 0.00 1.01 0.00 0.00 58.87 59.59 1xmi n SER 478 Cb 0.48 1.05 -0.09 0.00 -1.01 0.00 0.00 64.21 64.64 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 -3.26 0.62 0.40 1.43 2.12 -1.07 -4.75 118.70 114.19 1xmi s GLU 479 Ca 0.01 -0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.01 1xmi s GLU 479 Cb 0.14 0.27 0.00 0.00 0.26 0.00 0.00 34.13 34.80 1xmi s GLU 479 CO 0.83 -0.17 0.00 0.41 -0.54 0.00 0.00 175.26 175.79 1xmi n GLY 480 N 1.20 -2.15 3.07 -1.50 0.00 -1.23 -2.63 105.19 101.95 1xmi n GLY 480 Ca -0.21 -1.77 -0.25 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.18 1.62 -0.15 1.61 1.02 -0.44 -4.94 119.74 118.29 1xmi s LYS 481 Ca 0.00 -0.48 0.01 0.00 0.02 0.00 0.00 55.97 55.52 1xmi s LYS 481 Cb 0.00 -1.39 0.00 0.00 -0.52 0.00 0.00 37.83 35.92 1xmi s LYS 481 CO 0.00 0.14 -0.17 0.42 -0.92 0.00 0.00 175.35 174.81 1xmi s ILE 482 N 0.31 2.51 -0.20 2.17 1.01 -1.26 -0.74 121.20 125.00 1xmi s ILE 482 Ca -0.08 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 59.75 1xmi s ILE 482 Cb -0.13 -2.04 0.04 0.00 0.01 0.00 0.00 42.46 40.34 1xmi s ILE 482 CO 0.03 0.53 -0.14 -0.54 0.00 0.00 0.00 174.94 174.81 1xmi s LYS 483 N 0.75 2.43 -0.17 2.79 1.02 0.64 -4.98 119.74 122.22 1xmi s LYS 483 Ca -0.07 -0.91 -0.28 0.00 0.02 0.00 0.00 55.97 54.73 1xmi s LYS 483 Cb -0.16 -2.53 0.08 0.00 -0.52 0.00 0.00 37.83 34.71 1xmi s LYS 483 CO 0.01 -0.36 0.76 -3.38 -0.92 0.00 0.00 175.35 171.45 1xmi s HIS 484 N 1.31 -0.67 0.09 3.18 -3.43 -1.26 -0.44 115.29 114.08 1xmi s HIS 484 Ca 0.00 1.39 0.06 0.00 -0.80 0.00 0.00 55.06 55.71 1xmi s HIS 484 Cb -0.15 0.36 -0.03 0.00 -1.43 0.00 0.00 32.58 31.32 1xmi s HIS 484 CO -0.09 -0.46 -0.15 -1.54 -2.00 0.00 0.00 174.74 170.50 1xmi s SER 485 N -0.44 1.84 0.00 7.38 1.04 -1.26 -5.09 113.70 117.17 1xmi s SER 485 Ca -0.05 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.69 1xmi s SER 485 Cb -0.02 -0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1xmi s SER 485 CO 0.04 -0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1xmi n GLY 486 N 0.99 -1.78 3.81 7.32 0.00 -1.26 -4.67 105.19 109.59 1xmi n GLY 486 Ca -0.19 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.53 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 4.33 -0.09 1.61 0.52 -1.26 -4.91 118.95 119.15 1xmi s ARG 487 Ca 0.00 1.02 0.02 0.00 -0.52 0.00 0.00 55.73 56.24 1xmi s ARG 487 Cb 0.00 -2.75 -0.02 0.00 0.52 0.00 0.00 34.95 32.70 1xmi s ARG 487 CO 0.00 0.30 -0.14 0.42 0.02 0.00 0.00 175.30 175.89 1xmi s ILE 488 N -1.66 2.99 -0.14 1.52 1.01 -1.26 -1.48 121.20 122.19 1xmi s ILE 488 Ca 0.48 -0.72 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 1xmi s ILE 488 Cb -0.16 -2.21 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 1xmi s ILE 488 CO 0.21 0.56 -0.03 -0.55 0.00 0.00 0.00 174.94 175.13 1xmi s SER 489 N -0.17 4.90 -0.15 3.58 0.15 -0.11 -5.00 113.70 116.91 1xmi s SER 489 Ca -0.00 -0.06 0.01 0.00 0.70 0.00 0.00 55.95 56.59 1xmi s SER 489 Cb -0.13 -1.68 0.02 0.00 -1.71 0.00 0.00 66.02 62.51 1xmi s SER 489 CO 0.03 0.22 -0.16 0.12 1.20 0.00 0.00 173.24 174.65 1xmi s PHE 490 N 0.05 2.31 -0.29 3.44 5.36 -1.26 0.10 117.98 127.69 1xmi s PHE 490 Ca 0.01 -1.27 -0.05 0.00 -0.96 0.00 0.00 56.93 54.66 1xmi s PHE 490 Cb -0.13 -1.65 0.02 0.00 -0.34 0.00 0.00 43.02 40.92 1xmi s PHE 490 CO 0.02 -0.66 0.04 0.00 -1.46 0.00 0.00 175.22 173.16 1xmi s SER 492 N 1.41 5.07 0.27 0.00 0.15 -1.26 -0.34 113.70 119.01 1xmi s SER 492 Ca 0.01 0.33 -0.00 0.00 0.70 0.00 0.00 55.95 56.99 1xmi s SER 492 Cb -0.18 -1.11 0.38 0.00 -1.71 0.00 0.00 66.02 63.41 1xmi s SER 492 CO 0.00 -1.37 1.77 1.56 1.20 0.00 0.00 173.24 176.40 1xmi h GLN 493 N -0.32 0.70 -6.17 5.44 4.20 -1.80 -3.42 115.11 113.75 1xmi h GLN 493 Ca -0.44 -0.20 -0.57 0.00 0.06 0.00 0.00 58.65 57.51 1xmi h GLN 493 Cb 1.30 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 28.96 1xmi h GLN 493 CO 0.58 0.75 0.73 0.12 -0.67 0.00 0.00 178.83 180.34 1xmi s PHE 494 N -4.89 3.31 -0.44 2.96 5.36 -1.26 -4.97 117.98 118.05 1xmi s PHE 494 Ca -0.09 1.42 -0.23 0.00 -0.96 0.00 0.00 56.93 57.07 1xmi s PHE 494 Cb 0.15 -3.29 0.02 0.00 -0.34 0.00 0.00 43.02 39.56 1xmi s PHE 494 CO 0.80 -0.67 0.75 -1.12 -1.46 0.00 0.00 175.22 173.53 1xmi s SER 495 N 1.31 6.39 -0.16 6.13 0.01 -1.26 -5.03 113.70 121.09 1xmi s SER 495 Ca 0.48 -0.15 -0.08 0.00 1.31 0.00 0.00 55.95 57.51 1xmi s SER 495 Cb -0.18 -2.37 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 1xmi s SER 495 CO 0.13 -0.88 0.13 0.86 0.41 0.00 0.00 173.24 173.89 1xmi s TRP 496 N 3.17 3.50 -0.13 2.43 -0.00 -1.26 -4.96 118.94 121.69 1xmi s TRP 496 Ca 0.28 0.42 0.02 0.00 -0.00 0.00 0.00 56.10 56.83 1xmi s TRP 496 Cb -0.13 -2.05 0.01 0.00 -0.00 0.00 0.00 33.47 31.30 1xmi s TRP 496 CO 0.22 0.50 -0.21 0.42 -0.00 0.00 0.00 176.95 177.88 1xmi s ILE 497 N -0.31 1.96 0.67 5.86 -1.09 -1.26 -4.74 121.20 122.29 1xmi s ILE 497 Ca 0.11 -0.92 -0.11 0.00 -2.23 0.00 0.00 60.65 57.50 1xmi s ILE 497 Cb -0.11 -1.74 -0.01 0.00 -1.58 0.00 0.00 42.46 39.02 1xmi s ILE 497 CO 0.01 0.53 1.05 -0.04 -1.23 0.00 0.00 174.94 175.26 1xmi s MET 498 N 0.82 3.12 0.14 2.79 -1.94 -1.26 -3.03 119.30 119.94 1xmi s MET 498 Ca -0.08 0.93 -0.31 0.00 -1.71 0.00 0.00 55.69 54.52 1xmi s MET 498 Cb -0.16 -2.01 -0.09 0.00 2.01 0.00 0.00 34.83 34.58 1xmi s MET 498 CO -0.01 -0.96 1.52 -2.14 -0.01 0.00 0.00 175.02 173.42 1xmi s PRO 499 N -4.99 4.25 0.00 2.03 0.02 -1.26 -4.19 135.00 130.85 1xmi s PRO 499 Ca 0.58 2.27 0.00 0.00 0.02 0.00 0.00 61.00 63.87 1xmi s PRO 499 Cb -0.13 -3.20 0.00 0.00 0.02 0.00 0.00 34.50 31.18 1xmi s PRO 499 CO 0.53 -0.56 0.00 0.41 -0.33 0.00 0.00 177.00 177.05 1xmi n GLY 500 N 3.68 0.64 3.95 0.52 0.00 0.12 -4.95 105.19 109.17 1xmi n GLY 500 Ca 0.13 -2.11 -0.23 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.11 2.52 0.13 2.61 -1.32 -1.26 0.14 115.64 117.34 1xmi s THR 501 Ca 0.00 -0.49 -0.19 0.00 -1.21 0.00 0.00 61.69 59.79 1xmi s THR 501 Cb 0.00 -3.01 -0.06 0.00 -1.51 0.00 0.00 72.50 67.93 1xmi s THR 501 CO 0.00 -0.01 1.76 0.40 -2.21 0.00 0.00 174.62 174.56 1xmi h ILE 502 N -0.21 0.99 -0.15 5.08 2.04 -1.65 0.22 117.51 123.82 1xmi h ILE 502 Ca -0.43 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.40 1xmi h ILE 502 Cb 1.30 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 38.09 1xmi h ILE 502 CO 0.56 0.04 -0.16 0.50 0.00 0.00 0.00 178.15 179.09 1xmi h LYS 503 N 0.22 -0.18 -0.52 2.37 3.64 -1.88 -0.96 116.57 119.25 1xmi h LYS 503 Ca 0.09 0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1xmi h LYS 503 Cb 0.02 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1xmi h LYS 503 CO -0.06 -0.12 0.16 0.93 -2.27 0.00 0.00 179.45 178.08 1xmi h GLU 504 N -0.19 0.77 -0.81 1.90 5.08 -1.76 0.77 114.58 120.34 1xmi h GLU 504 Ca 0.10 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1xmi h GLU 504 Cb 0.34 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.42 1xmi h GLU 504 CO -0.26 0.67 0.40 -0.91 -1.00 0.00 0.00 179.01 177.91 1xmi h ASN 505 N 0.75 1.04 0.05 1.42 2.35 -0.09 0.65 115.58 121.75 1xmi h ASN 505 Ca 0.17 -0.11 -0.13 0.00 -0.55 0.00 0.00 56.30 55.68 1xmi h ASN 505 Cb 0.23 -0.27 0.01 0.00 0.05 0.00 0.00 38.32 38.34 1xmi h ASN 505 CO -0.01 0.87 -0.54 0.40 -1.65 0.00 0.00 177.43 176.50 1xmi h ILE 506 N 1.15 1.51 -0.18 2.81 2.04 -0.71 -3.34 117.51 120.79 1xmi h ILE 506 Ca 0.28 -2.22 -0.01 0.00 1.00 0.00 0.00 64.86 63.92 1xmi h ILE 506 Cb 0.09 2.90 -0.01 0.00 -0.74 0.00 0.00 36.82 39.06 1xmi h ILE 506 CO -0.04 0.63 0.09 0.40 0.00 0.00 0.00 178.15 179.23 1xmi h ILE 507 N -0.35 1.13 -6.56 -0.67 1.08 -0.87 -3.39 117.51 107.88 1xmi h ILE 507 Ca -0.08 -0.37 -0.51 0.00 -0.39 0.00 0.00 64.86 63.51 1xmi h ILE 507 Cb 1.32 1.04 -0.02 0.00 -3.07 0.00 0.00 36.82 36.09 1xmi h ILE 507 CO 0.10 0.12 -0.94 0.00 -0.69 0.00 0.00 178.15 176.75 1xmi n ALA 508 N -2.21 -2.30 0.00 1.87 0.00 0.22 -3.20 120.51 114.89 1xmi n ALA 508 Ca -0.04 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1xmi n ALA 508 Cb 0.09 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.09 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 -1.98 3.04 3.74 0.00 0.00 -1.26 -5.05 105.19 103.67 1xmi n GLY 509 Ca -0.21 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 1xmi n GLY 509 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xmi s VAL 510 N -0.82 2.73 0.23 1.61 -7.23 -1.20 -4.97 120.40 110.75 1xmi s VAL 510 Ca 0.00 0.24 -0.30 0.00 -1.81 0.00 0.00 61.98 60.11 1xmi s VAL 510 Cb 0.00 -2.78 -0.09 0.00 0.56 0.00 0.00 36.38 34.07 1xmi s VAL 510 CO 0.00 -0.31 1.30 -0.94 -0.31 0.00 0.00 175.10 174.84 1xmi s SER 511 N -3.53 6.89 0.21 4.85 1.04 -1.26 -4.97 113.70 116.93 1xmi s SER 511 Ca 0.63 2.45 -0.30 0.00 0.48 0.00 0.00 55.95 59.20 1xmi s SER 511 Cb -0.17 -2.62 -0.09 0.00 0.10 0.00 0.00 66.02 63.24 1xmi s SER 511 CO 0.56 -0.51 1.34 -0.47 0.98 0.00 0.00 173.24 175.15 1xmi s TYR 512 N -0.19 3.20 -0.21 5.02 5.04 -1.26 -5.02 117.35 123.94 1xmi s TYR 512 Ca 0.55 1.17 -0.03 0.00 -2.44 0.00 0.00 57.07 56.32 1xmi s TYR 512 Cb -0.37 -3.65 0.07 0.00 0.35 0.00 0.00 41.96 38.35 1xmi s TYR 512 CO 0.41 -2.07 0.05 0.34 -1.34 0.00 0.00 175.55 172.94 1xmi s ASP 513 N 0.36 2.99 0.20 4.32 2.15 -1.26 -5.05 116.67 120.38 1xmi s ASP 513 Ca 0.57 -0.90 -0.10 0.00 0.43 0.00 0.00 52.55 52.55 1xmi s ASP 513 Cb -0.38 -0.57 0.19 0.00 -0.30 0.00 0.00 42.92 41.86 1xmi s ASP 513 CO 0.39 -0.33 1.82 -0.08 -0.17 0.00 0.00 175.17 176.81 1xmi h GLU 514 N 8.26 0.70 0.19 4.34 4.57 -1.98 0.65 114.58 131.29 1xmi h GLU 514 Ca -0.16 -0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 57.97 1xmi h GLU 514 Cb 1.11 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 29.54 1xmi h GLU 514 CO 0.35 0.46 -0.09 -0.92 -1.18 0.00 0.00 179.01 177.63 1xmi h TYR 515 N 0.72 -0.23 -0.73 0.92 3.20 -1.99 -0.99 116.97 117.87 1xmi h TYR 515 Ca 0.27 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.16 1xmi h TYR 515 Cb 0.10 0.08 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 1xmi h TYR 515 CO -0.06 -0.05 0.47 -0.09 -1.64 0.00 0.00 178.16 176.79 1xmi h ARG 516 N -0.36 0.92 -0.32 1.82 2.43 -1.95 -2.20 114.38 114.72 1xmi h ARG 516 Ca -0.03 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 1xmi h ARG 516 Cb 0.28 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1xmi h ARG 516 CO 0.04 0.61 0.08 -0.92 -1.51 0.00 0.00 179.97 178.27 1xmi h TYR 517 N 0.95 0.52 -0.24 2.20 3.20 -0.76 -1.98 116.97 120.87 1xmi h TYR 517 Ca 0.28 -0.06 -0.07 0.00 3.14 0.00 0.00 58.73 62.02 1xmi h TYR 517 Cb -0.05 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 1xmi h TYR 517 CO -0.03 0.55 -0.17 0.00 -1.64 0.00 0.00 178.16 176.86 1xmi h ARG 518 N 0.35 0.41 -0.47 1.82 2.47 -1.05 -1.70 114.38 116.22 1xmi h ARG 518 Ca 0.10 -0.13 -0.06 0.00 -1.26 0.00 0.00 59.98 58.64 1xmi h ARG 518 Cb 0.28 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.54 1xmi h ARG 518 CO -0.00 0.58 0.07 0.77 0.56 0.00 0.00 179.97 181.95 1xmi h SER 519 N 0.38 0.74 -0.26 7.04 0.02 -1.23 -2.29 113.55 117.96 1xmi h SER 519 Ca 0.07 -0.26 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 1xmi h SER 519 Cb 0.53 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1xmi h SER 519 CO 0.03 0.82 0.01 0.58 -1.14 0.00 0.00 176.83 177.14 1xmi h VAL 520 N 0.64 1.25 -0.01 2.27 2.07 -0.97 -1.37 116.25 120.13 1xmi h VAL 520 Ca 0.14 -0.87 -0.09 0.00 0.82 0.00 0.00 66.70 66.71 1xmi h VAL 520 Cb 0.39 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 1xmi h VAL 520 CO 0.01 0.27 -0.40 0.16 0.02 0.00 0.00 177.57 177.63 1xmi h ILE 521 N 0.24 1.29 0.21 4.57 3.07 -1.34 -0.44 117.51 125.11 1xmi h ILE 521 Ca 0.08 -1.39 -0.01 0.00 1.55 0.00 0.00 64.86 65.09 1xmi h ILE 521 Cb 0.39 1.74 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 1xmi h ILE 521 CO 0.01 0.40 -0.10 0.50 -1.05 0.00 0.00 178.15 177.91 1xmi h LYS 522 N 0.01 -0.28 -0.09 0.16 3.64 -1.31 0.37 116.57 119.08 1xmi h LYS 522 Ca -0.00 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.34 1xmi h LYS 522 Cb 0.72 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 1xmi h LYS 522 CO 0.05 -0.02 -0.22 0.00 -2.27 0.00 0.00 179.45 176.99 1xmi h ALA 523 N 0.23 1.46 -0.63 5.00 0.00 -0.95 -2.57 119.26 121.80 1xmi h ALA 523 Ca -0.03 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xmi h ALA 523 Cb 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xmi h ALA 523 CO 0.05 0.38 0.00 0.00 0.00 0.00 0.00 179.25 179.68 1xmi n GLN 525 N 1.28 -6.62 -0.14 0.00 6.02 -0.91 -4.87 117.38 112.14 1xmi n GLN 525 Ca 0.22 0.78 0.07 0.00 -0.01 0.00 0.00 57.00 58.06 1xmi n GLN 525 Cb 0.61 -5.72 0.14 0.00 1.02 0.00 0.00 30.24 26.29 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 -4.45 2.78 -0.05 1.08 4.77 0.13 -4.68 117.00 116.57 1xmi n LEU 526 Ca -0.18 -1.61 -0.11 0.00 -0.03 0.00 0.00 56.01 54.08 1xmi n LEU 526 Cb 0.63 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1xmi n LEU 526 CO 0.65 0.64 0.78 -0.33 -1.33 0.00 0.00 177.39 177.79 1xmi h GLU 527 N 2.63 0.28 -0.28 3.23 5.08 -1.91 -1.85 114.58 121.77 1xmi h GLU 527 Ca 0.00 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 1xmi h GLU 527 Cb 0.71 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.91 1xmi h GLU 527 CO 0.00 0.46 -0.14 0.93 -1.00 0.00 0.00 179.01 179.26 1xmi h GLU 528 N 0.06 0.49 -0.68 2.33 5.08 -1.94 -1.84 114.58 118.07 1xmi h GLU 528 Ca 0.05 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 1xmi h GLU 528 Cb 0.32 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1xmi h GLU 528 CO 0.00 0.62 0.33 -0.44 -1.00 0.00 0.00 179.01 178.53 1xmi h ASP 529 N 0.45 0.89 0.01 1.42 3.32 -1.79 -2.42 116.42 118.31 1xmi h ASP 529 Ca 0.08 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 56.86 1xmi h ASP 529 Cb 0.51 -0.23 0.01 0.00 0.22 0.00 0.00 39.33 39.84 1xmi h ASP 529 CO 0.03 0.77 -0.55 0.40 -1.72 0.00 0.00 179.24 178.18 1xmi h ILE 530 N 0.95 1.47 0.00 0.35 2.04 -1.23 -3.34 117.51 117.75 1xmi h ILE 530 Ca 0.24 -2.11 0.00 0.00 1.00 0.00 0.00 64.86 63.99 1xmi h ILE 530 Cb 0.11 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 38.90 1xmi h ILE 530 CO -0.03 0.60 0.00 -1.54 0.00 0.00 0.00 178.15 177.18 1xmi n SER 531 N -4.27 0.70 -0.11 1.72 3.41 -0.70 -3.06 113.62 111.31 1xmi n SER 531 Ca -0.11 0.64 -0.11 0.00 -0.26 0.00 0.00 58.87 59.03 1xmi n SER 531 Cb 0.65 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.77 1xmi n SER 531 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1xmi h LYS 532 N 0.00 0.57 -6.71 4.33 3.11 -1.55 -3.44 116.57 112.88 1xmi h LYS 532 Ca 0.00 -0.18 -0.51 0.00 -2.81 0.00 0.00 60.65 57.15 1xmi h LYS 532 Cb 0.47 -0.05 -0.00 0.00 -1.00 0.00 0.00 32.23 31.65 1xmi h LYS 532 CO 0.00 0.70 0.42 -0.06 -2.81 0.00 0.00 179.45 177.70 1xmi s PHE 533 N -4.99 3.74 0.39 1.91 2.99 -1.17 -4.94 117.98 115.89 1xmi s PHE 533 Ca -0.13 1.75 0.26 0.00 0.00 0.00 0.00 56.93 58.81 1xmi s PHE 533 Cb 0.09 -3.16 1.37 0.00 0.00 0.00 0.00 43.02 41.31 1xmi s PHE 533 CO 0.77 -0.17 2.04 0.00 -0.00 0.00 0.00 175.22 177.86 1xmi h ALA 534 N 4.55 1.27 -0.01 5.36 0.00 -1.87 -0.85 119.26 127.71 1xmi h ALA 534 Ca -0.45 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1xmi h ALA 534 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1xmi h ALA 534 CO 0.70 0.17 -0.08 0.39 0.00 0.00 0.00 179.25 180.43 1xmi n GLU 535 N -3.65 1.06 0.00 0.00 1.02 -1.26 -4.99 120.64 112.82 1xmi n GLU 535 Ca -0.02 -0.44 0.00 0.00 -0.02 0.00 0.00 57.16 56.68 1xmi n GLU 535 Cb 0.26 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 1xmi n GLU 535 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1xmi n LYS 536 N -0.58 0.00 0.23 3.49 5.02 -0.33 -0.97 118.16 125.02 1xmi n LYS 536 Ca 0.17 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.61 1xmi n LYS 536 Cb 0.28 0.00 0.48 0.00 -0.02 0.00 0.00 35.03 35.77 1xmi n LYS 536 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 1xmi h ASP 537 N 0.00 0.00 -0.59 4.39 3.32 -1.89 -3.36 116.42 118.29 1xmi h ASP 537 Ca 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 1xmi h ASP 537 Cb 0.00 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 39.37 1xmi h ASP 537 CO 0.00 0.00 0.18 0.59 -1.72 0.00 0.00 179.24 178.29 1xmi n ASN 538 N -2.95 2.95 -4.71 6.45 3.02 -0.15 -2.89 115.26 116.98 1xmi n ASN 538 Ca 0.02 -3.73 -0.37 0.00 -0.03 0.00 0.00 54.58 50.47 1xmi n ASN 538 Cb 0.38 -0.71 -0.07 0.00 -0.61 0.00 0.00 39.78 38.77 1xmi n ASN 538 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1xmi s ILE 539 N -3.29 5.28 0.35 2.41 1.10 -1.25 -4.96 121.20 120.83 1xmi s ILE 539 Ca 0.49 0.61 -0.27 0.00 -0.51 0.00 0.00 60.65 60.97 1xmi s ILE 539 Cb 0.43 -3.67 -0.09 0.00 0.15 0.00 0.00 42.46 39.29 1xmi s ILE 539 CO 0.04 0.35 1.11 0.68 -2.11 0.00 0.00 174.94 175.01 1xmi s VAL 540 N 0.67 3.44 0.19 4.00 -7.23 -1.26 -3.74 120.40 116.47 1xmi s VAL 540 Ca 0.18 1.28 0.08 0.00 -1.81 0.00 0.00 61.98 61.70 1xmi s VAL 540 Cb -0.14 -3.75 -0.05 0.00 0.56 0.00 0.00 36.38 33.01 1xmi s VAL 540 CO 0.05 0.18 -0.15 -0.76 -0.31 0.00 0.00 175.10 174.12 1xmi s LEU 541 N -2.08 2.54 0.00 1.32 1.43 0.36 -4.89 118.68 117.36 1xmi s LEU 541 Ca 0.52 -0.99 0.06 0.00 -1.03 0.00 0.00 54.13 52.69 1xmi s LEU 541 Cb -0.29 -0.67 0.12 0.00 0.03 0.00 0.00 46.19 45.38 1xmi s LEU 541 CO 0.37 -0.16 0.90 0.61 0.23 0.00 0.00 176.35 178.30 1xmi n GLY 542 N -0.25 1.49 3.72 -3.19 0.00 -1.26 0.14 105.19 105.84 1xmi n GLY 542 Ca -0.09 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.35 1xmi n GLY 542 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xmi s GLU 543 N -4.87 4.55 0.00 1.61 2.56 -1.26 -3.13 118.70 118.15 1xmi s GLU 543 Ca 0.65 1.61 0.00 0.00 0.00 0.00 0.00 54.97 57.23 1xmi s GLU 543 Cb -0.05 -3.36 0.00 0.00 2.00 0.00 0.00 34.13 32.72 1xmi s GLU 543 CO 0.42 -0.05 0.00 0.41 -0.56 0.00 0.00 175.26 175.48 1xmi n GLY 544 N 2.70 1.64 1.63 -1.50 0.00 -1.17 -4.69 105.19 103.80 1xmi n GLY 544 Ca 0.06 -0.03 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 1xmi n GLY 544 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xmi n GLY 545 N 0.00 0.59 3.75 -0.02 0.00 -1.18 -4.76 105.19 103.57 1xmi n GLY 545 Ca 0.00 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 1xmi n GLY 545 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xmi s ILE 546 N -3.05 2.91 0.00 -0.61 -1.09 -1.26 -2.85 121.20 115.24 1xmi s ILE 546 Ca 0.05 0.41 0.00 0.00 -2.23 0.00 0.00 60.65 58.88 1xmi s ILE 546 Cb -0.02 -2.92 0.00 0.00 -1.58 0.00 0.00 42.46 37.94 1xmi s ILE 546 CO 0.10 -0.27 0.00 1.07 -1.23 0.00 0.00 174.94 174.61 1xmi n THR 547 N -2.68 0.00 -4.18 2.92 5.66 -1.26 -4.76 114.28 109.98 1xmi n THR 547 Ca 0.11 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.80 1xmi n THR 547 Cb 0.52 -0.39 -0.08 0.00 -1.55 0.00 0.00 70.33 68.82 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 0.00 3.50 0.66 1.09 1.43 -1.13 -5.13 118.68 119.10 1xmi s LEU 548 Ca 0.00 -0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 52.88 1xmi s LEU 548 Cb 0.00 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 44.06 1xmi s LEU 548 CO 0.00 0.21 1.05 -0.94 0.23 0.00 0.00 176.35 176.90 1xmi s SER 549 N -2.06 5.77 0.30 2.29 1.04 -1.26 -4.92 113.70 114.86 1xmi s SER 549 Ca 0.24 1.44 -0.01 0.00 0.48 0.00 0.00 55.95 58.10 1xmi s SER 549 Cb -0.12 -2.39 0.49 0.00 0.10 0.00 0.00 66.02 64.10 1xmi s SER 549 CO 0.16 -1.17 1.94 1.23 0.98 0.00 0.00 173.24 176.38 1xmi h GLY 550 N -0.53 1.24 1.04 7.32 0.00 -1.91 -1.66 103.07 108.57 1xmi h GLY 550 Ca -0.44 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 46.41 1xmi h GLY 550 CO 0.60 0.36 0.24 -1.33 0.00 0.00 0.00 176.54 176.42 1xmi h GLY 551 N 1.08 1.17 1.01 4.60 0.00 -1.82 -1.50 103.07 107.61 1xmi h GLY 551 Ca 0.35 -0.68 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 1xmi h GLY 551 CO -0.11 0.63 -0.05 1.46 0.00 0.00 0.00 176.54 178.48 1xmi h GLN 552 N 1.03 0.87 -0.63 4.80 4.20 -1.85 -2.04 115.11 121.48 1xmi h GLN 552 Ca 0.23 -0.30 -0.03 0.00 0.06 0.00 0.00 58.65 58.61 1xmi h GLN 552 Cb 0.28 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.96 1xmi h GLN 552 CO -0.01 0.93 0.29 0.00 -0.67 0.00 0.00 178.83 179.37 1xmi h ARG 553 N 0.72 0.93 -0.78 1.46 3.08 -1.22 -0.60 114.38 117.96 1xmi h ARG 553 Ca 0.13 -0.15 0.02 0.00 0.07 0.00 0.00 59.98 60.05 1xmi h ARG 553 Cb 0.57 -0.16 -0.04 0.00 0.08 0.00 0.00 29.97 30.42 1xmi h ARG 553 CO 0.03 0.75 0.51 0.00 -1.07 0.00 0.00 179.97 180.20 1xmi h ALA 554 N 1.12 1.00 -0.14 0.04 0.00 -1.16 -0.38 119.26 119.74 1xmi h ALA 554 Ca 0.22 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1xmi h ALA 554 Cb 0.15 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.64 1xmi h ALA 554 CO -0.02 0.37 -0.40 0.00 0.00 0.00 0.00 179.25 179.20 1xmi h ARG 555 N 1.03 0.52 -0.64 0.00 3.08 -1.11 -2.08 114.38 115.17 1xmi h ARG 555 Ca 0.29 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.97 1xmi h ARG 555 Cb -0.08 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 1xmi h ARG 555 CO -0.08 0.99 0.41 0.82 -1.07 0.00 0.00 179.97 181.04 1xmi h ILE 556 N 0.13 1.17 -0.62 2.04 2.04 -1.05 0.85 117.51 122.08 1xmi h ILE 556 Ca -0.01 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 1xmi h ILE 556 Cb 1.02 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 1xmi h ILE 556 CO 0.09 0.17 0.29 -1.28 0.00 0.00 0.00 178.15 177.42 1xmi h SER 557 N 0.86 0.82 -0.48 1.72 0.87 -1.06 -0.64 113.55 115.65 1xmi h SER 557 Ca 0.23 -0.14 -0.11 0.00 -1.23 0.00 0.00 61.79 60.54 1xmi h SER 557 Cb -0.07 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.66 1xmi h SER 557 CO -0.05 0.73 -0.13 0.25 -0.53 0.00 0.00 176.83 177.10 1xmi h LEU 558 N 0.86 0.94 -0.46 2.23 5.85 -1.20 -2.77 115.31 120.76 1xmi h LEU 558 Ca 0.21 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.63 1xmi h LEU 558 Cb 0.13 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 1xmi h LEU 558 CO -0.03 1.09 0.15 0.00 -0.34 0.00 0.00 178.44 179.31 1xmi h ALA 559 N 0.88 0.55 -0.36 1.25 0.00 -0.46 -0.01 119.26 121.11 1xmi h ALA 559 Ca 0.12 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1xmi h ALA 559 Cb 0.69 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1xmi h ALA 559 CO 0.05 -0.24 0.13 -0.09 0.00 0.00 0.00 179.25 179.10 1xmi h ARG 560 N 0.32 0.28 -0.88 0.00 2.43 -1.09 0.19 114.38 115.63 1xmi h ARG 560 Ca 0.22 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 1xmi h ARG 560 Cb 0.23 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 1xmi h ARG 560 CO -0.23 0.18 0.44 0.00 -1.51 0.00 0.00 179.97 178.85 1xmi h ALA 561 N 1.23 1.13 0.09 2.80 0.00 -1.12 -2.85 119.26 120.53 1xmi h ALA 561 Ca 0.16 -0.15 -0.28 0.00 0.00 0.00 0.00 54.91 54.64 1xmi h ALA 561 Cb 0.14 -0.35 0.02 0.00 0.00 0.00 0.00 17.79 17.60 1xmi h ALA 561 CO -0.16 0.67 -1.18 0.28 0.00 0.00 0.00 179.25 178.85 1xmi h VAL 562 N 1.24 1.33 -0.76 0.00 2.07 -0.60 -3.27 116.25 116.26 1xmi h VAL 562 Ca 0.30 -2.52 0.05 0.00 0.82 0.00 0.00 66.70 65.35 1xmi h VAL 562 Cb 0.09 2.66 -0.05 0.00 -1.52 0.00 0.00 31.29 32.46 1xmi h VAL 562 CO -0.04 0.76 0.47 0.22 0.02 0.00 0.00 177.57 179.00 1xmi h TYR 563 N 0.25 0.87 -2.47 1.57 3.20 -0.59 -3.42 116.97 116.38 1xmi h TYR 563 Ca -0.16 0.03 -0.55 0.00 3.14 0.00 0.00 58.73 61.18 1xmi h TYR 563 Cb 1.85 -0.28 0.06 0.00 1.54 0.00 0.00 36.73 39.90 1xmi h TYR 563 CO 0.10 0.46 0.90 1.17 -1.64 0.00 0.00 178.16 179.15 1xmi n LYS 564 N -4.66 2.46 -2.90 1.82 4.81 -1.08 -4.94 118.16 113.66 1xmi n LYS 564 Ca 0.10 0.89 -0.42 0.00 -0.87 0.00 0.00 58.31 58.00 1xmi n LYS 564 Cb 0.14 -2.69 -0.04 0.00 0.02 0.00 0.00 35.03 32.45 1xmi n LYS 564 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1xmi s ASP 565 N 1.02 6.73 0.18 3.14 -1.08 -1.26 -4.97 116.67 120.43 1xmi s ASP 565 Ca 0.77 0.79 -0.08 0.00 -0.52 0.00 0.00 52.55 53.50 1xmi s ASP 565 Cb -0.59 -2.43 -0.01 0.00 -1.46 0.00 0.00 42.92 38.43 1xmi s ASP 565 CO 0.35 -0.62 0.28 0.00 0.52 0.00 0.00 175.17 175.70 1xmi s ALA 566 N 3.01 0.16 -0.05 3.66 0.00 -1.26 -4.95 121.76 122.33 1xmi s ALA 566 Ca 0.34 -1.02 0.13 0.00 0.00 0.00 0.00 51.96 51.41 1xmi s ALA 566 Cb -0.14 0.96 -0.21 0.00 0.00 0.00 0.00 23.12 23.73 1xmi s ALA 566 CO 0.12 -0.66 0.72 -0.44 0.00 0.00 0.00 175.76 175.49 1xmi h ASP 567 N 2.53 0.00 -3.41 0.00 3.32 -1.58 -3.44 116.42 113.82 1xmi h ASP 567 Ca -0.31 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.24 1xmi h ASP 567 Cb 1.23 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.45 1xmi h ASP 567 CO 0.47 0.93 -0.80 -0.22 -1.72 0.00 0.00 179.24 177.90 1xmi s LEU 568 N -6.06 1.55 -0.23 1.55 2.96 -0.91 -2.71 118.68 114.83 1xmi s LEU 568 Ca -0.04 -0.26 -0.04 0.00 -0.22 0.00 0.00 54.13 53.57 1xmi s LEU 568 Cb 0.08 -0.74 -0.00 0.00 0.50 0.00 0.00 46.19 46.03 1xmi s LEU 568 CO 0.82 0.00 -0.04 -0.31 -1.32 0.00 0.00 176.35 175.50 1xmi s TYR 569 N 0.78 2.97 -0.34 5.38 1.51 -0.62 -0.93 117.35 126.11 1xmi s TYR 569 Ca -0.13 -1.03 -0.08 0.00 -1.01 0.00 0.00 57.07 54.82 1xmi s TYR 569 Cb -0.15 -2.10 0.02 0.00 -0.11 0.00 0.00 41.96 39.62 1xmi s TYR 569 CO 0.02 -0.58 0.14 -0.51 -1.11 0.00 0.00 175.55 173.51 1xmi s LEU 570 N 1.46 4.31 -0.34 -1.29 1.43 0.12 -0.96 118.68 123.40 1xmi s LEU 570 Ca 0.05 -0.92 -0.01 0.00 -1.03 0.00 0.00 54.13 52.23 1xmi s LEU 570 Cb -0.15 -1.94 0.08 0.00 0.03 0.00 0.00 46.19 44.22 1xmi s LEU 570 CO -0.03 -0.30 0.07 -0.76 0.23 0.00 0.00 176.35 175.56 1xmi s LEU 571 N 1.50 4.49 -0.81 1.79 2.01 0.09 -0.54 118.68 127.20 1xmi s LEU 571 Ca 0.01 -1.72 -0.16 0.00 0.01 0.00 0.00 54.13 52.28 1xmi s LEU 571 Cb -0.19 -1.72 0.18 0.00 0.01 0.00 0.00 46.19 44.48 1xmi s LEU 571 CO 0.04 -0.37 0.83 -0.62 1.01 0.00 0.00 176.35 177.24 1xmi s ASP 572 N 1.36 6.65 -1.23 2.29 -1.08 0.54 -0.92 116.67 124.27 1xmi s ASP 572 Ca 0.02 -2.38 -0.23 0.00 -0.52 0.00 0.00 52.55 49.44 1xmi s ASP 572 Cb -0.21 -2.26 0.02 0.00 -1.46 0.00 0.00 42.92 39.01 1xmi s ASP 572 CO -0.04 -0.75 0.64 -0.24 0.52 0.00 0.00 175.17 175.30 1xmi n SER 573 N 4.85 -3.77 0.00 -0.34 2.88 -0.92 -2.70 113.62 113.62 1xmi n SER 573 Ca 0.12 -1.16 0.14 0.00 -1.33 0.00 0.00 58.87 56.65 1xmi n SER 573 Cb 0.47 -2.47 0.80 0.00 -0.75 0.00 0.00 64.21 62.25 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 -4.62 0.67 0.00 -1.46 -0.04 -1.26 -3.73 135.00 124.55 1xmi n PRO 574 Ca -0.14 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.40 1xmi n PRO 574 Cb 0.60 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.57 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 -1.15 0.00 0.13 0.54 3.72 -1.26 -4.71 117.46 114.73 1xmi n PHE 575 Ca 0.18 0.00 0.19 0.00 -0.05 0.00 0.00 57.45 57.77 1xmi n PHE 575 Cb 0.17 0.00 0.75 0.00 -0.94 0.00 0.00 39.48 39.46 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 3.02 0.00 -2.57 1.37 0.00 -1.97 0.06 103.07 102.97 1xmi h GLY 576 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1xmi h GLY 576 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 1xmi n TYR 577 N -3.58 0.89 -4.04 5.60 0.53 -1.26 -4.93 117.16 110.37 1xmi n TYR 577 Ca 0.06 -0.44 -0.27 0.00 -1.02 0.00 0.00 57.90 56.23 1xmi n TYR 577 Cb 0.59 0.00 -0.05 0.00 -1.03 0.00 0.00 39.34 38.85 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 -1.07 3.96 0.89 7.72 1.02 0.00 -3.67 118.68 127.53 1xmi s LEU 578 Ca 0.47 -0.03 -0.11 0.00 0.02 0.00 0.00 54.13 54.47 1xmi s LEU 578 Cb 0.25 -2.57 0.13 0.00 0.02 0.00 0.00 46.19 44.02 1xmi s LEU 578 CO 0.32 0.07 1.09 1.51 0.02 0.00 0.00 176.35 179.37 1xmi s ASP 579 N -3.07 3.47 0.22 2.29 1.47 -1.26 -4.83 116.67 114.97 1xmi s ASP 579 Ca 0.32 1.56 -0.07 0.00 1.18 0.00 0.00 52.55 55.54 1xmi s ASP 579 Cb -0.11 -2.24 0.32 0.00 -0.34 0.00 0.00 42.92 40.56 1xmi s ASP 579 CO 0.25 -2.65 1.79 0.58 0.68 0.00 0.00 175.17 175.82 1xmi h VAL 580 N -1.56 0.88 -0.25 2.11 2.07 -1.96 -2.18 116.25 115.37 1xmi h VAL 580 Ca -0.49 -0.22 -0.08 0.00 0.82 0.00 0.00 66.70 66.73 1xmi h VAL 580 Cb 1.28 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 1xmi h VAL 580 CO 0.53 0.12 -0.17 -0.07 0.02 0.00 0.00 177.57 178.00 1xmi h LEU 581 N 0.65 0.58 -0.64 2.57 3.38 -1.99 -1.69 115.31 118.16 1xmi h LEU 581 Ca 0.35 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1xmi h LEU 581 Cb 0.33 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1xmi h LEU 581 CO -0.25 0.89 0.06 0.74 0.09 0.00 0.00 178.44 179.98 1xmi h THR 582 N 0.27 1.26 -0.46 0.22 2.02 -1.92 -1.62 112.91 112.68 1xmi h THR 582 Ca 0.05 -1.08 0.04 0.00 0.77 0.00 0.00 66.41 66.19 1xmi h THR 582 Cb 0.69 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 67.77 1xmi h THR 582 CO 0.05 0.40 0.22 -0.08 0.37 0.00 0.00 175.52 176.48 1xmi h GLU 583 N 1.00 0.43 -0.38 6.66 4.81 -1.33 -0.61 114.58 125.15 1xmi h GLU 583 Ca 0.19 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1xmi h GLU 583 Cb 0.49 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 1xmi h GLU 583 CO 0.02 0.28 0.23 0.87 -0.73 0.00 0.00 179.01 179.68 1xmi h LYS 584 N 0.44 0.52 -0.52 1.92 1.57 -1.05 0.59 116.57 120.05 1xmi h LYS 584 Ca 0.21 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.85 1xmi h LYS 584 Cb 0.13 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1xmi h LYS 584 CO -0.16 0.40 -0.01 0.93 -0.57 0.00 0.00 179.45 180.04 1xmi h GLU 585 N 0.50 0.92 0.02 3.15 5.08 -1.11 -2.22 114.58 120.92 1xmi h GLU 585 Ca 0.14 -0.30 -0.24 0.00 -1.00 0.00 0.00 59.36 57.96 1xmi h GLU 585 Cb 0.01 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.19 1xmi h GLU 585 CO -0.03 0.95 -1.00 0.82 -1.00 0.00 0.00 179.01 178.75 1xmi h ILE 586 N 0.79 1.38 -0.45 3.13 2.04 -1.03 0.18 117.51 123.55 1xmi h ILE 586 Ca 0.15 -2.46 0.08 0.00 1.00 0.00 0.00 64.86 63.62 1xmi h ILE 586 Cb 0.54 2.47 -0.07 0.00 -0.74 0.00 0.00 36.82 39.02 1xmi h ILE 586 CO 0.03 0.74 0.04 0.15 0.00 0.00 0.00 178.15 179.10 1xmi h PHE 587 N 0.25 0.04 0.87 1.37 3.04 -0.85 0.11 116.94 121.76 1xmi h PHE 587 Ca -0.10 0.03 -0.04 0.00 3.98 0.00 0.00 57.97 61.84 1xmi h PHE 587 Cb 1.65 0.05 0.01 0.00 2.56 0.00 0.00 35.95 40.22 1xmi h PHE 587 CO 0.07 -0.06 -0.42 1.49 -2.02 0.00 0.00 178.31 177.38 1xmi h GLU 588 N 0.16 -1.12 -0.15 1.11 4.57 -1.32 -1.08 114.58 116.75 1xmi h GLU 588 Ca 0.22 0.08 -0.11 0.00 -1.18 0.00 0.00 59.36 58.37 1xmi h GLU 588 Cb 0.31 0.25 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1xmi h GLU 588 CO -0.34 -0.75 -0.39 0.66 -1.18 0.00 0.00 179.01 177.01 1xmi h SER 589 N -1.31 0.34 0.00 1.04 4.64 -0.89 -2.02 113.55 115.36 1xmi h SER 589 Ca -0.12 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1xmi h SER 589 Cb 0.89 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 1xmi h SER 589 CO 0.20 0.71 -0.22 0.00 -0.87 0.00 0.00 176.83 176.64 1xmi h VAL 591 N -0.27 1.26 0.03 0.00 2.07 -1.42 -1.43 116.25 116.50 1xmi h VAL 591 Ca 0.00 -1.20 -0.30 0.00 0.82 0.00 0.00 66.70 66.02 1xmi h VAL 591 Cb 0.22 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1xmi h VAL 591 CO 0.00 0.43 -1.67 0.00 0.02 0.00 0.00 177.57 176.35 1xmi n LYS 593 N -3.18 0.10 -0.12 0.00 5.02 -0.77 -3.98 118.16 115.24 1xmi n LYS 593 Ca -0.17 0.04 0.05 0.00 -2.02 0.00 0.00 58.31 56.20 1xmi n LYS 593 Cb 1.04 -0.61 0.37 0.00 -0.02 0.00 0.00 35.03 35.80 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 -0.20 0.62 -3.20 -0.35 5.85 -1.26 -2.04 115.31 114.72 1xmi h LEU 594 Ca 0.00 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1xmi h LEU 594 Cb 0.20 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.08 1xmi h LEU 594 CO 0.00 0.42 0.00 0.23 -0.34 0.00 0.00 178.44 178.75 1xmi n MET 595 N -4.46 3.83 0.13 1.25 2.81 -0.56 -4.62 117.12 115.50 1xmi n MET 595 Ca 0.07 -2.90 0.14 0.00 -1.81 0.00 0.00 57.70 53.21 1xmi n MET 595 Cb 0.14 -1.92 0.67 0.00 -0.71 0.00 0.00 33.22 31.40 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 3.83 2.24 -0.00 3.04 0.00 -1.49 -0.57 119.26 126.31 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 1.50 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1xmi h ALA 596 CO 0.26 -0.32 -0.05 0.09 0.00 0.00 0.00 179.25 179.23 1xmi n ASN 597 N -4.44 0.05 -4.75 0.00 4.13 -1.26 -4.75 115.26 104.23 1xmi n ASN 597 Ca 0.03 0.41 -0.31 0.00 1.68 0.00 0.00 54.58 56.40 1xmi n ASN 597 Cb 0.35 -0.42 -0.07 0.00 -1.54 0.00 0.00 39.78 38.09 1xmi n ASN 597 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1xmi s LYS 598 N -2.99 2.83 0.02 3.52 -0.14 -0.22 -4.14 119.74 118.61 1xmi s LYS 598 Ca 0.14 -0.69 -0.30 0.00 -1.36 0.00 0.00 55.97 53.76 1xmi s LYS 598 Cb 0.19 -2.70 -0.05 0.00 -1.68 0.00 0.00 37.83 33.59 1xmi s LYS 598 CO 0.55 0.57 1.21 0.99 -0.76 0.00 0.00 175.35 177.91 1xmi s THR 599 N -1.33 4.10 0.00 2.17 2.01 -1.25 -3.98 115.64 117.36 1xmi s THR 599 Ca 0.27 1.49 -0.02 0.00 0.31 0.00 0.00 61.69 63.74 1xmi s THR 599 Cb -0.12 -3.95 -0.01 0.00 0.01 0.00 0.00 72.50 68.43 1xmi s THR 599 CO 0.19 0.07 0.03 0.00 -0.69 0.00 0.00 174.62 174.22 1xmi s ARG 600 N 1.53 0.22 -0.17 4.92 1.70 -0.68 -1.59 118.95 124.89 1xmi s ARG 600 Ca 0.58 -0.28 0.01 0.00 -0.47 0.00 0.00 55.73 55.57 1xmi s ARG 600 Cb -0.28 0.09 0.01 0.00 -0.57 0.00 0.00 34.95 34.20 1xmi s ARG 600 CO 0.27 -0.04 -0.19 0.42 -1.08 0.00 0.00 175.30 174.68 1xmi s ILE 601 N -0.79 2.23 -0.19 4.99 1.01 -0.13 -0.99 121.20 127.33 1xmi s ILE 601 Ca -0.09 -0.90 0.01 0.00 0.00 0.00 0.00 60.65 59.67 1xmi s ILE 601 Cb -0.05 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.51 1xmi s ILE 601 CO -0.00 0.53 -0.19 -0.22 0.00 0.00 0.00 174.94 175.06 1xmi s LEU 602 N 1.07 2.28 -0.19 2.97 2.96 0.55 -0.73 118.68 127.59 1xmi s LEU 602 Ca -0.01 -0.72 -0.28 0.00 -0.22 0.00 0.00 54.13 52.90 1xmi s LEU 602 Cb -0.14 -1.49 0.00 0.00 0.50 0.00 0.00 46.19 45.05 1xmi s LEU 602 CO -0.07 -0.02 0.99 -0.69 -1.32 0.00 0.00 176.35 175.24 1xmi s VAL 603 N 1.28 4.74 0.13 1.68 1.01 -0.10 -0.15 120.40 128.99 1xmi s VAL 603 Ca 0.04 1.95 -0.16 0.00 0.00 0.00 0.00 61.98 63.81 1xmi s VAL 603 Cb -0.14 -4.28 0.03 0.00 0.00 0.00 0.00 36.38 32.00 1xmi s VAL 603 CO -0.12 -0.10 0.40 0.28 0.00 0.00 0.00 175.10 175.56 1xmi s THR 604 N 2.76 0.07 -0.20 3.92 -1.32 -0.29 -2.16 115.64 118.42 1xmi s THR 604 Ca 0.44 -0.65 0.02 0.00 -1.21 0.00 0.00 61.69 60.29 1xmi s THR 604 Cb -0.16 -1.23 -0.00 0.00 -1.51 0.00 0.00 72.50 69.59 1xmi s THR 604 CO 0.10 -0.31 0.33 -1.54 -2.21 0.00 0.00 174.62 170.99 1xmi n SER 605 N -0.23 0.65 -4.67 8.08 3.41 -1.26 -4.14 113.62 115.46 1xmi n SER 605 Ca -0.15 -0.83 -0.43 0.00 -0.26 0.00 0.00 58.87 57.21 1xmi n SER 605 Cb 0.64 0.50 -0.02 0.00 -0.26 0.00 0.00 64.21 65.06 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 -0.70 4.33 0.27 4.33 -0.14 -1.26 -4.80 119.74 121.77 1xmi s LYS 606 Ca 0.02 1.36 0.01 0.00 -1.36 0.00 0.00 55.97 55.99 1xmi s LYS 606 Cb 0.02 -3.59 0.62 0.00 -1.68 0.00 0.00 37.83 33.19 1xmi s LYS 606 CO 0.06 -0.48 1.71 1.98 -0.76 0.00 0.00 175.35 177.86 1xmi h MET 607 N 7.29 0.43 -0.56 1.68 4.05 -2.00 -1.10 114.93 124.72 1xmi h MET 607 Ca -0.25 -0.03 0.04 0.00 -0.28 0.00 0.00 59.70 59.18 1xmi h MET 607 Cb 1.10 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 31.77 1xmi h MET 607 CO 0.92 0.28 0.37 1.49 0.23 0.00 0.00 176.91 180.20 1xmi h GLU 608 N 0.44 0.60 -0.04 0.39 4.81 -2.00 -2.24 114.58 116.54 1xmi h GLU 608 Ca 0.50 -0.04 -0.18 0.00 -0.13 0.00 0.00 59.36 59.51 1xmi h GLU 608 Cb 0.87 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 1xmi h GLU 608 CO -0.47 0.40 -0.77 0.45 -0.73 0.00 0.00 179.01 177.89 1xmi h HIS 609 N 0.62 0.43 -0.61 0.92 3.86 -1.61 -3.04 115.15 115.73 1xmi h HIS 609 Ca 0.23 -0.20 -0.10 0.00 -1.16 0.00 0.00 60.37 59.13 1xmi h HIS 609 Cb 0.12 -0.06 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1xmi h HIS 609 CO -0.00 0.96 -0.01 -0.07 0.86 0.00 0.00 177.93 179.68 1xmi h LEU 610 N 0.20 1.05 -1.27 2.43 4.07 -1.11 -2.54 115.31 118.14 1xmi h LEU 610 Ca -0.04 -0.30 -0.04 0.00 0.08 0.00 0.00 57.88 57.59 1xmi h LEU 610 Cb 1.36 -0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.79 1xmi h LEU 610 CO 0.13 1.10 0.11 0.11 -1.08 0.00 0.00 178.44 178.80 1xmi h LYS 611 N 0.97 0.61 0.00 1.13 1.57 -1.38 -2.99 116.57 116.49 1xmi h LYS 611 Ca 0.17 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1xmi h LYS 611 Cb 0.57 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1xmi h LYS 611 CO 0.03 0.55 -0.46 -0.22 -0.57 0.00 0.00 179.45 178.79 1xmi h LYS 612 N 0.60 0.00 -7.07 3.15 1.63 -1.41 -3.47 116.57 109.99 1xmi h LYS 612 Ca 0.14 0.00 -0.50 0.00 -0.85 0.00 0.00 60.65 59.44 1xmi h LYS 612 Cb 0.22 0.00 0.07 0.00 -0.60 0.00 0.00 32.23 31.91 1xmi h LYS 612 CO -0.00 0.00 0.44 0.00 -3.45 0.00 0.00 179.45 176.43 1xmi s ALA 613 N -3.23 2.75 0.13 5.00 0.00 -0.97 -4.96 121.76 120.48 1xmi s ALA 613 Ca 0.05 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 52.80 1xmi s ALA 613 Cb 0.09 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 1xmi s ALA 613 CO 0.71 -0.73 1.31 -0.44 0.00 0.00 0.00 175.76 176.62 1xmi h ASP 614 N 1.35 0.54 -4.98 0.00 3.32 -1.60 -3.46 116.42 111.60 1xmi h ASP 614 Ca -0.50 -0.43 -0.16 0.00 0.02 0.00 0.00 57.03 55.96 1xmi h ASP 614 Cb 1.26 -0.17 -0.21 0.00 0.22 0.00 0.00 39.33 40.43 1xmi h ASP 614 CO 0.58 1.22 -0.64 -0.54 -1.72 0.00 0.00 179.24 178.13 1xmi s LYS 615 N -3.31 0.36 0.04 3.56 -0.14 -1.08 -4.66 119.74 114.52 1xmi s LYS 615 Ca -0.06 -0.56 0.06 0.00 -1.36 0.00 0.00 55.97 54.06 1xmi s LYS 615 Cb 0.09 0.14 -0.02 0.00 -1.68 0.00 0.00 37.83 36.35 1xmi s LYS 615 CO 0.87 -0.07 -0.19 0.96 -0.76 0.00 0.00 175.35 176.16 1xmi s ILE 616 N -1.46 1.48 -0.13 2.17 -4.36 0.12 -1.42 121.20 117.60 1xmi s ILE 616 Ca -0.16 -1.11 0.00 0.00 -0.26 0.00 0.00 60.65 59.12 1xmi s ILE 616 Cb -0.09 -1.30 0.02 0.00 1.25 0.00 0.00 42.46 42.34 1xmi s ILE 616 CO -0.00 0.15 -0.11 -0.22 0.24 0.00 0.00 174.94 175.00 1xmi s LEU 617 N -1.12 1.48 -0.24 0.37 0.20 0.36 -2.02 118.68 117.70 1xmi s LEU 617 Ca 0.06 -0.40 -0.08 0.00 0.69 0.00 0.00 54.13 54.40 1xmi s LEU 617 Cb -0.08 -1.03 -0.03 0.00 -0.43 0.00 0.00 46.19 44.62 1xmi s LEU 617 CO 0.01 -0.08 0.08 -0.63 -0.29 0.00 0.00 176.35 175.45 1xmi s ILE 618 N 1.53 4.54 0.03 6.68 -1.09 0.73 -1.23 121.20 132.39 1xmi s ILE 618 Ca 0.04 -0.10 -0.02 0.00 -2.23 0.00 0.00 60.65 58.34 1xmi s ILE 618 Cb -0.13 -3.11 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 1xmi s ILE 618 CO -0.09 0.35 0.22 -0.76 -1.23 0.00 0.00 174.94 173.43 1xmi s LEU 619 N 1.38 4.36 -0.20 2.97 1.02 0.50 -0.40 118.68 128.31 1xmi s LEU 619 Ca 0.05 0.37 -0.04 0.00 0.02 0.00 0.00 54.13 54.53 1xmi s LEU 619 Cb -0.15 -2.78 0.10 0.00 0.02 0.00 0.00 46.19 43.37 1xmi s LEU 619 CO 0.04 0.22 0.27 -2.28 0.02 0.00 0.00 176.35 174.62 1xmi s HIS 620 N -1.41 -0.44 -1.50 0.29 2.46 -0.36 -4.25 115.29 110.08 1xmi s HIS 620 Ca 0.31 0.54 -0.10 0.00 0.47 0.00 0.00 55.06 56.28 1xmi s HIS 620 Cb -0.13 -0.19 0.07 0.00 -0.13 0.00 0.00 32.58 32.20 1xmi s HIS 620 CO 0.22 -0.58 0.84 0.39 -2.47 0.00 0.00 174.74 173.14 1xmi n GLU 621 N 5.34 -4.80 -0.19 2.88 1.02 -1.26 -2.10 120.64 121.52 1xmi n GLU 621 Ca -0.05 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1xmi n GLU 621 Cb 0.50 -5.26 0.00 0.00 -0.02 0.00 0.00 31.44 26.66 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 -1.66 1.98 3.77 0.62 0.00 0.47 -4.88 105.19 105.48 1xmi n GLY 622 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.42 5.27 -0.53 1.61 0.01 -0.89 0.33 113.70 116.07 1xmi s SER 623 Ca 0.00 -0.30 -0.29 0.00 1.31 0.00 0.00 55.95 56.68 1xmi s SER 623 Cb 0.00 -1.27 0.03 0.00 0.21 0.00 0.00 66.02 64.99 1xmi s SER 623 CO 0.00 0.02 1.17 -0.55 0.41 0.00 0.00 173.24 174.29 1xmi s SER 624 N -3.48 6.53 -0.03 2.44 0.15 -1.26 -1.22 113.70 116.83 1xmi s SER 624 Ca 0.31 0.30 -0.21 0.00 0.70 0.00 0.00 55.95 57.05 1xmi s SER 624 Cb -0.08 -2.55 -0.32 0.00 -1.71 0.00 0.00 66.02 61.36 1xmi s SER 624 CO 0.23 -1.37 0.92 0.22 1.20 0.00 0.00 173.24 174.44 1xmi h TYR 625 N 9.43 0.62 -2.89 3.44 5.03 -1.05 -3.47 116.97 128.07 1xmi h TYR 625 Ca -0.24 -0.44 -0.14 0.00 2.58 0.00 0.00 58.73 60.48 1xmi h TYR 625 Cb 1.06 -0.03 -0.25 0.00 1.55 0.00 0.00 36.73 39.06 1xmi h TYR 625 CO 1.01 1.34 -0.33 0.12 -1.32 0.00 0.00 178.16 178.97 1xmi s PHE 626 N -2.50 -0.40 -0.04 -3.82 5.36 -1.10 -4.98 117.98 110.51 1xmi s PHE 626 Ca -0.13 0.94 -0.00 0.00 -0.96 0.00 0.00 56.93 56.78 1xmi s PHE 626 Cb 0.01 0.14 0.03 0.00 -0.34 0.00 0.00 43.02 42.86 1xmi s PHE 626 CO 0.85 -0.20 -0.00 -0.47 -1.46 0.00 0.00 175.22 173.93 1xmi s TYR 627 N 0.44 0.42 -5.00 10.12 5.04 -1.26 -0.19 117.35 126.92 1xmi s TYR 627 Ca -0.02 -0.04 0.00 0.00 -2.44 0.00 0.00 57.07 54.57 1xmi s TYR 627 Cb -0.04 -0.53 0.00 0.00 0.35 0.00 0.00 41.96 41.74 1xmi s TYR 627 CO -0.02 -0.18 0.00 0.41 -1.34 0.00 0.00 175.55 174.41 1xmi n GLY 628 N 4.44 0.07 3.92 8.97 0.00 -0.86 -5.00 105.19 116.73 1xmi n GLY 628 Ca -0.20 -1.40 -0.27 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.03 3.55 0.23 2.61 -4.23 -1.26 0.10 115.64 113.62 1xmi s THR 629 Ca 0.00 0.02 -0.06 0.00 -1.18 0.00 0.00 61.69 60.47 1xmi s THR 629 Cb 0.00 -3.42 0.16 0.00 1.34 0.00 0.00 72.50 70.58 1xmi s THR 629 CO 0.00 -0.45 1.80 0.15 -0.54 0.00 0.00 174.62 175.58 1xmi h PHE 630 N -0.24 1.13 -0.25 3.99 3.57 -1.88 -2.49 116.94 120.76 1xmi h PHE 630 Ca -0.45 -0.08 0.01 0.00 3.53 0.00 0.00 57.97 60.97 1xmi h PHE 630 Cb 1.26 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 39.65 1xmi h PHE 630 CO 0.46 0.86 0.16 0.77 -2.23 0.00 0.00 178.31 178.33 1xmi h SER 631 N 1.08 0.27 -0.82 0.41 0.02 -1.94 -0.34 113.55 112.22 1xmi h SER 631 Ca 0.25 -0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.28 1xmi h SER 631 Cb 0.22 -0.06 -0.07 0.00 0.14 0.00 0.00 62.40 62.63 1xmi h SER 631 CO -0.02 0.19 0.47 -0.33 -1.14 0.00 0.00 176.83 176.01 1xmi h GLU 632 N 0.32 0.80 -0.55 3.45 5.08 -1.93 -1.90 114.58 119.85 1xmi h GLU 632 Ca 0.10 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 1xmi h GLU 632 Cb -0.02 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.03 1xmi h GLU 632 CO -0.03 0.53 -0.05 1.25 -1.00 0.00 0.00 179.01 179.71 1xmi h LEU 633 N 0.82 0.96 -0.53 1.33 5.85 -0.97 -1.65 115.31 121.12 1xmi h LEU 633 Ca 0.38 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1xmi h LEU 633 Cb 0.30 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1xmi h LEU 633 CO -0.22 1.04 0.18 1.56 -0.34 0.00 0.00 178.44 180.66 1xmi h GLN 634 N 0.89 0.82 0.09 1.25 4.20 -0.71 0.10 115.11 121.75 1xmi h GLN 634 Ca 0.15 -0.17 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1xmi h GLN 634 Cb 0.58 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 1xmi h GLN 634 CO 0.04 0.74 -0.10 -0.91 -0.67 0.00 0.00 178.83 177.93 1xmi h ASN 635 N 0.73 -0.26 0.75 1.46 2.35 -1.22 -3.14 115.58 116.26 1xmi h ASN 635 Ca 0.17 0.03 -0.10 0.00 -0.55 0.00 0.00 56.30 55.85 1xmi h ASN 635 Cb 0.25 0.09 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1xmi h ASN 635 CO -0.01 -0.15 -0.49 -0.07 -1.65 0.00 0.00 177.43 175.07 1xmi h LEU 636 N -0.21 0.00 -6.00 1.61 3.38 -1.18 -3.41 115.31 109.50 1xmi h LEU 636 Ca 0.01 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.55 1xmi h LEU 636 Cb 0.21 0.00 -0.31 0.00 0.09 0.00 0.00 40.66 40.65 1xmi h LEU 636 CO -0.03 0.49 -0.78 -1.58 0.09 0.00 0.00 178.44 176.62 1xmi s GLN 637 N -3.60 0.88 0.40 1.13 0.74 0.34 -4.96 119.66 114.60 1xmi s GLN 637 Ca -0.00 -1.54 0.28 0.00 0.05 0.00 0.00 55.36 54.14 1xmi s GLN 637 Cb 0.12 -0.90 1.09 0.00 1.10 0.00 0.00 33.01 34.42 1xmi s GLN 637 CO 0.72 -1.33 1.83 -1.00 -0.55 0.00 0.00 175.29 174.97 1xmi h PRO 638 N 5.80 0.00 -5.91 1.67 0.13 -1.78 -3.41 132.00 128.50 1xmi h PRO 638 Ca 0.16 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.70 1xmi h PRO 638 Cb 1.00 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.01 1xmi h PRO 638 CO 0.23 0.00 0.99 0.16 -0.23 0.00 0.00 178.00 179.15 1xmi s ASP 639 N -5.05 6.29 0.26 1.44 -4.77 -1.26 -5.01 116.67 108.55 1xmi s ASP 639 Ca 0.04 -0.98 -0.30 0.00 -3.30 0.00 0.00 52.55 48.01 1xmi s ASP 639 Cb 0.09 -2.51 -0.09 0.00 -1.09 0.00 0.00 42.92 39.32 1xmi s ASP 639 CO 0.50 -1.58 1.28 0.12 0.70 0.00 0.00 175.17 176.19 1xmi s PHE 640 N 4.79 3.23 -0.16 2.11 2.19 -1.26 -5.03 117.98 123.84 1xmi s PHE 640 Ca 0.34 1.35 -0.01 0.00 0.33 0.00 0.00 56.93 58.94 1xmi s PHE 640 Cb -0.08 -3.59 0.04 0.00 -1.31 0.00 0.00 43.02 38.08 1xmi s PHE 640 CO 0.06 -1.71 -0.05 0.45 1.83 0.00 0.00 175.22 175.80 1xmi s SER 641 N -0.10 2.81 0.32 6.13 0.15 -1.26 -5.01 113.70 116.74 1xmi s SER 641 Ca 0.52 -0.66 0.00 0.00 0.70 0.00 0.00 55.95 56.52 1xmi s SER 641 Cb -0.37 -0.89 0.54 0.00 -1.71 0.00 0.00 66.02 63.58 1xmi s SER 641 CO 0.44 -0.19 1.96 0.28 1.20 0.00 0.00 173.24 176.93 1xmi h SER 642 N 8.13 0.79 0.12 5.45 0.02 -1.97 -1.57 113.55 124.52 1xmi h SER 642 Ca -0.24 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 1xmi h SER 642 Cb 1.11 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.45 1xmi h SER 642 CO 0.40 0.62 -0.06 0.50 -1.14 0.00 0.00 176.83 177.15 1xmi h LYS 643 N 0.91 -0.15 -0.47 3.45 3.64 -1.95 0.13 116.57 122.12 1xmi h LYS 643 Ca 0.24 0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.51 1xmi h LYS 643 Cb -0.02 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1xmi h LYS 643 CO -0.04 -0.00 -0.18 1.25 -2.27 0.00 0.00 179.45 178.20 1xmi h LEU 644 N -0.27 0.95 0.00 5.20 5.85 -1.92 -2.85 115.31 122.27 1xmi h LEU 644 Ca -0.02 -0.34 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1xmi h LEU 644 Cb 0.22 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 40.99 1xmi h LEU 644 CO 0.03 1.10 0.00 0.23 -0.34 0.00 0.00 178.44 179.46 1xmi n MET 645 N -4.12 0.07 -2.44 1.25 2.81 -0.61 -2.12 117.12 111.96 1xmi n MET 645 Ca 0.01 0.06 -0.11 0.00 -1.81 0.00 0.00 57.70 55.84 1xmi n MET 645 Cb 0.43 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.45 1xmi n MET 645 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xmi n GLY 646 N 1.10 0.02 3.76 3.03 0.00 -0.83 -3.03 105.19 109.24 1xmi n GLY 646 Ca 0.07 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.56 6.75 -0.63 0.00 1.01 -1.26 -4.88 116.67 117.09 1xmi s ASP 648 Ca 0.63 2.27 -0.23 0.00 0.71 0.00 0.00 52.55 55.92 1xmi s ASP 648 Cb -0.43 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.00 1xmi s ASP 648 CO 0.55 -0.79 0.96 -0.55 0.21 0.00 0.00 175.17 175.56 1xmi s SER 649 N 2.12 6.21 0.46 0.27 0.15 -1.26 -4.92 113.70 116.73 1xmi s SER 649 Ca 0.68 -0.82 0.17 0.00 0.70 0.00 0.00 55.95 56.68 1xmi s SER 649 Cb -0.35 -2.43 1.13 0.00 -1.71 0.00 0.00 66.02 62.66 1xmi s SER 649 CO 0.29 -1.40 1.99 0.15 1.20 0.00 0.00 173.24 175.47 1xmi h PHE 650 N 9.52 0.32 0.00 3.44 3.04 -1.99 0.65 116.94 131.91 1xmi h PHE 650 Ca -0.28 0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.68 1xmi h PHE 650 Cb 1.07 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.48 1xmi h PHE 650 CO 0.96 0.15 0.00 -0.44 -2.02 0.00 0.00 178.31 176.95 1xmi h ASP 651 N 0.29 0.00 -0.33 0.41 3.32 -2.03 -2.29 116.42 115.81 1xmi h ASP 651 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1xmi h ASP 651 Cb 0.63 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1xmi h ASP 651 CO -0.06 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.46 1xmi n GLN 652 N -3.02 2.03 -2.68 3.56 3.00 0.22 -4.95 117.38 115.55 1xmi n GLN 652 Ca 0.01 -1.57 -0.40 0.00 -0.01 0.00 0.00 57.00 55.02 1xmi n GLN 652 Cb 0.29 -1.41 -0.06 0.00 0.00 0.00 0.00 30.24 29.07 1xmi n GLN 652 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.06 177.00 1xmi s PHE 653 N -1.58 3.85 0.82 1.08 0.40 -0.86 -5.04 117.98 116.64 1xmi s PHE 653 Ca 0.33 1.85 -0.11 0.00 -0.60 0.00 0.00 56.93 58.40 1xmi s PHE 653 Cb 0.18 -3.06 0.09 0.00 0.51 0.00 0.00 43.02 40.74 1xmi s PHE 653 CO 0.26 0.16 1.13 -1.54 0.70 0.00 0.00 175.22 175.93 1xmi s SER 654 N -1.14 3.83 0.22 1.36 1.04 -1.26 -4.84 113.70 112.89 1xmi s SER 654 Ca 0.43 2.07 -0.08 0.00 0.48 0.00 0.00 55.95 58.84 1xmi s SER 654 Cb -0.27 -2.55 0.27 0.00 0.10 0.00 0.00 66.02 63.57 1xmi s SER 654 CO 0.34 -2.50 1.80 0.00 0.98 0.00 0.00 173.24 173.86 1xmi h ALA 655 N -1.25 0.94 -0.19 5.32 0.00 -1.99 -2.20 119.26 119.89 1xmi h ALA 655 Ca -0.44 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 1xmi h ALA 655 Cb 1.26 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1xmi h ALA 655 CO 0.47 0.04 -0.11 1.05 0.00 0.00 0.00 179.25 180.70 1xmi h GLU 656 N 0.69 0.30 -0.11 0.00 4.11 -1.97 -0.54 114.58 117.05 1xmi h GLU 656 Ca 0.32 -0.07 -0.12 0.00 0.07 0.00 0.00 59.36 59.56 1xmi h GLU 656 Cb 0.23 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1xmi h GLU 656 CO -0.20 0.42 -0.41 -0.09 0.07 0.00 0.00 179.01 178.80 1xmi h ARG 657 N 0.28 0.47 -0.54 1.06 2.43 -1.81 -0.93 114.38 115.34 1xmi h ARG 657 Ca 0.06 -0.36 -0.12 0.00 -0.81 0.00 0.00 59.98 58.75 1xmi h ARG 657 Cb 0.37 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1xmi h ARG 657 CO 0.02 0.99 -0.12 0.00 -1.51 0.00 0.00 179.97 179.34 1xmi h ARG 658 N 0.05 1.04 0.00 0.20 3.08 -1.30 -1.91 114.38 115.54 1xmi h ARG 658 Ca -0.02 -0.39 -0.08 0.00 0.07 0.00 0.00 59.98 59.56 1xmi h ARG 658 Cb 1.04 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 1xmi h ARG 658 CO 0.09 1.09 -0.36 -0.91 -1.07 0.00 0.00 179.97 178.80 1xmi h ASN 659 N 0.92 0.00 -0.16 7.04 2.35 -1.15 -1.79 115.58 122.79 1xmi h ASN 659 Ca 0.14 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.84 1xmi h ASN 659 Cb 0.70 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.07 1xmi h ASN 659 CO 0.05 0.36 -0.10 -1.28 -1.65 0.00 0.00 177.43 174.81 1xmi h SER 660 N 0.00 0.36 -0.71 5.81 0.87 -0.82 -1.89 113.55 117.16 1xmi h SER 660 Ca -0.00 -0.44 -0.00 0.00 -1.23 0.00 0.00 61.79 60.12 1xmi h SER 660 Cb 0.74 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.57 1xmi h SER 660 CO 0.05 0.72 0.43 0.40 -0.53 0.00 0.00 176.83 177.90 1xmi h ILE 661 N 0.00 1.20 -0.70 2.23 2.04 -1.23 -1.22 117.51 119.85 1xmi h ILE 661 Ca 0.03 -0.45 -0.06 0.00 1.00 0.00 0.00 64.86 65.38 1xmi h ILE 661 Cb 0.59 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.86 1xmi h ILE 661 CO 0.03 0.21 0.19 -0.07 0.00 0.00 0.00 178.15 178.51 1xmi h LEU 662 N 0.97 1.03 -0.79 1.44 3.38 -1.34 -0.89 115.31 119.12 1xmi h LEU 662 Ca 0.26 -0.21 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 1xmi h LEU 662 Cb -0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1xmi h LEU 662 CO -0.05 0.98 -0.23 0.71 0.09 0.00 0.00 178.44 179.94 1xmi h THR 663 N 1.04 1.27 -0.67 0.22 1.35 -0.93 0.70 112.91 115.90 1xmi h THR 663 Ca 0.22 -1.31 -0.06 0.00 -0.55 0.00 0.00 66.41 64.71 1xmi h THR 663 Cb 0.34 1.27 -0.03 0.00 -1.73 0.00 0.00 68.15 68.00 1xmi h THR 663 CO -0.00 0.43 0.19 -0.33 -0.25 0.00 0.00 175.52 175.56 1xmi h GLU 664 N 0.58 1.04 -0.34 4.72 4.39 -1.01 0.20 114.58 124.17 1xmi h GLU 664 Ca 0.08 -0.22 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 1xmi h GLU 664 Cb 0.71 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1xmi h GLU 664 CO 0.05 0.90 0.12 1.15 -1.16 0.00 0.00 179.01 180.08 1xmi h THR 665 N 1.00 1.20 -0.78 1.13 2.02 -0.70 -2.58 112.91 114.21 1xmi h THR 665 Ca 0.22 -0.62 -0.03 0.00 0.77 0.00 0.00 66.41 66.74 1xmi h THR 665 Cb 0.31 0.97 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 1xmi h THR 665 CO -0.00 0.21 0.35 -0.07 0.37 0.00 0.00 175.52 176.38 1xmi h LEU 666 N 0.39 1.03 -0.75 2.58 3.38 -0.66 -2.81 115.31 118.48 1xmi h LEU 666 Ca 0.11 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1xmi h LEU 666 Cb 0.22 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 1xmi h LEU 666 CO -0.01 0.88 0.47 -0.09 0.09 0.00 0.00 178.44 179.78 1xmi h ARG 667 N 1.11 0.87 -0.76 1.13 2.43 -0.47 -2.03 114.38 116.66 1xmi h ARG 667 Ca 0.26 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.37 1xmi h ARG 667 Cb 0.15 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 1xmi h ARG 667 CO -0.03 0.58 0.43 0.00 -1.51 0.00 0.00 179.97 179.44 1xmi h ARG 668 N 0.90 1.04 -0.62 0.20 3.08 -1.20 0.13 114.38 117.90 1xmi h ARG 668 Ca 0.30 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1xmi h ARG 668 Cb 0.04 -0.21 0.00 0.00 0.08 0.00 0.00 29.97 29.88 1xmi h ARG 668 CO -0.12 0.75 0.00 1.19 -1.07 0.00 0.00 179.97 180.71 1xmi n PHE 669 N -4.37 0.83 0.09 3.04 3.72 -1.02 -4.62 117.46 115.14 1xmi n PHE 669 Ca 0.08 -0.46 0.00 0.00 -0.05 0.00 0.00 57.45 57.02 1xmi n PHE 669 Cb 0.09 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 1xmi n PHE 669 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1xmi n SER 670 N 1.46 0.05 0.00 4.37 3.41 -0.80 -5.08 113.62 117.04 1xmi n SER 670 Ca 0.22 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1xmi n SER 670 Cb 0.59 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.73 1xmi n SER 670 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06