#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ijq s ALA 378 N 0.00 3.51 0.12 -1.39 0.00 -1.26 -4.81 121.76 117.94 1ijq s ALA 378 Ca 0.00 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.10 1ijq s ALA 378 Cb 0.00 -2.71 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 1ijq s ALA 378 CO 0.00 0.37 -0.14 0.71 0.00 0.00 0.00 175.76 176.70 1ijq s TYR 379 N -1.33 1.42 -0.15 0.00 2.02 -0.75 -3.98 117.35 114.58 1ijq s TYR 379 Ca 0.36 -0.55 -0.04 0.00 -0.37 0.00 0.00 57.07 56.47 1ijq s TYR 379 Cb -0.18 -0.74 -0.03 0.00 -0.40 0.00 0.00 41.96 40.61 1ijq s TYR 379 CO 0.21 0.15 -0.03 -0.51 -1.57 0.00 0.00 175.55 173.80 1ijq s LEU 380 N -2.47 3.29 -0.13 -1.29 1.43 0.31 -0.25 118.68 119.57 1ijq s LEU 380 Ca 0.09 -0.10 -0.03 0.00 -1.03 0.00 0.00 54.13 53.06 1ijq s LEU 380 Cb -0.05 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.35 1ijq s LEU 380 CO 0.03 0.18 -0.02 -0.36 0.23 0.00 0.00 176.35 176.41 1ijq s PHE 381 N 0.28 3.07 0.04 0.29 0.08 -0.06 -1.07 117.98 120.61 1ijq s PHE 381 Ca -0.03 -0.10 -0.06 0.00 0.12 0.00 0.00 56.93 56.86 1ijq s PHE 381 Cb -0.14 -1.90 -0.01 0.00 -0.57 0.00 0.00 43.02 40.40 1ijq s PHE 381 CO 0.03 0.15 0.11 -0.59 -0.10 0.00 0.00 175.22 174.81 1ijq s PHE 382 N -0.07 0.20 0.19 0.36 -0.12 -0.08 -0.97 117.98 117.50 1ijq s PHE 382 Ca 0.03 -0.53 -0.26 0.00 -0.05 0.00 0.00 56.93 56.11 1ijq s PHE 382 Cb -0.13 -0.14 -0.08 0.00 -0.63 0.00 0.00 43.02 42.04 1ijq s PHE 382 CO 0.02 -0.39 0.82 0.95 -0.05 0.00 0.00 175.22 176.57 1ijq s THR 383 N -2.82 4.29 -0.29 -4.49 -4.23 -0.02 -0.30 115.64 107.78 1ijq s THR 383 Ca -0.03 1.79 0.20 0.00 -1.18 0.00 0.00 61.69 62.47 1ijq s THR 383 Cb 0.00 -4.18 0.49 0.00 1.34 0.00 0.00 72.50 70.15 1ijq s THR 383 CO -0.06 0.50 1.05 -3.20 -0.54 0.00 0.00 174.62 172.38 1ijq n ASN 384 N 1.51 1.78 0.00 3.99 5.15 -0.10 -3.95 115.26 123.64 1ijq n ASN 384 Ca -0.04 -2.41 0.00 0.00 -0.60 0.00 0.00 54.58 51.53 1ijq n ASN 384 Cb 0.48 -0.49 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 1ijq n ASN 384 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1ijq n ARG 385 N -0.40 0.00 -0.27 1.20 0.63 -1.26 -3.57 116.66 112.99 1ijq n ARG 385 Ca 0.10 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.15 1ijq n ARG 385 Cb 0.81 0.00 0.27 0.00 0.45 0.00 0.00 32.46 33.99 1ijq n ARG 385 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1ijq n HIS 386 N 0.00 0.71 -3.69 -0.14 1.44 -1.26 -1.20 115.22 111.07 1ijq n HIS 386 Ca 0.00 -0.35 -0.02 0.00 -2.01 0.00 0.00 57.72 55.33 1ijq n HIS 386 Cb 0.00 0.00 -0.01 0.00 0.12 0.00 0.00 29.99 30.10 1ijq n HIS 386 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 1ijq s GLU 387 N -1.29 0.91 -0.19 -1.40 -1.05 -1.23 -0.48 118.70 113.97 1ijq s GLU 387 Ca 0.42 -0.49 -0.07 0.00 -0.15 0.00 0.00 54.97 54.68 1ijq s GLU 387 Cb 0.23 0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 34.20 1ijq s GLU 387 CO 0.31 -0.42 0.06 0.08 0.95 0.00 0.00 175.26 176.24 1ijq s VAL 388 N -3.00 4.70 0.14 1.83 1.01 -0.21 -0.92 120.40 123.94 1ijq s VAL 388 Ca 0.12 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.07 1ijq s VAL 388 Cb 0.00 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1ijq s VAL 388 CO -0.01 0.45 0.19 -0.13 0.00 0.00 0.00 175.10 175.61 1ijq s ARG 389 N 0.46 3.14 -0.04 2.72 0.52 0.59 -0.62 118.95 125.72 1ijq s ARG 389 Ca 0.03 -0.72 0.06 0.00 -0.52 0.00 0.00 55.73 54.58 1ijq s ARG 389 Cb -0.13 -2.80 -0.01 0.00 0.52 0.00 0.00 34.95 32.53 1ijq s ARG 389 CO 0.01 0.51 -0.22 0.21 0.02 0.00 0.00 175.30 175.83 1ijq s LYS 390 N -3.05 2.04 0.02 3.54 2.20 0.12 -0.90 119.74 123.72 1ijq s LYS 390 Ca 0.32 -0.79 -0.11 0.00 -0.36 0.00 0.00 55.97 55.03 1ijq s LYS 390 Cb -0.11 -1.84 0.01 0.00 -1.51 0.00 0.00 37.83 34.38 1ijq s LYS 390 CO 0.26 0.40 0.23 0.00 -0.36 0.00 0.00 175.35 175.87 1ijq s MET 391 N -0.28 0.68 0.81 4.03 0.23 -0.23 -1.18 119.30 123.35 1ijq s MET 391 Ca 0.02 -0.49 -0.12 0.00 -1.03 0.00 0.00 55.69 54.08 1ijq s MET 391 Cb -0.11 0.29 0.09 0.00 -1.53 0.00 0.00 34.83 33.57 1ijq s MET 391 CO 0.01 -0.20 1.17 0.95 -2.03 0.00 0.00 175.02 174.92 1ijq s THR 392 N -2.15 2.04 -1.42 3.16 -4.23 -0.83 -0.53 115.64 111.67 1ijq s THR 392 Ca -0.08 -0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.39 1ijq s THR 392 Cb -0.03 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.81 1ijq s THR 392 CO -0.01 0.00 0.41 0.18 -0.54 0.00 0.00 174.62 174.65 1ijq n LEU 393 N -3.30 0.33 0.00 4.79 4.77 -1.26 -4.73 117.00 117.61 1ijq n LEU 393 Ca 0.09 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 1ijq n LEU 393 Cb 0.61 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 1ijq n LEU 393 CO 0.56 0.08 0.00 -1.54 -1.33 0.00 0.00 177.39 175.16 1ijq n SER 396 N -0.09 0.00 -4.31 -1.43 3.41 -1.26 -5.13 113.62 104.81 1ijq n SER 396 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1ijq n SER 396 Cb 0.08 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.88 1ijq n SER 396 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1ijq s GLU 397 N 0.00 2.64 -0.25 4.33 2.12 -1.26 -5.12 118.70 121.15 1ijq s GLU 397 Ca 0.00 -0.85 -0.02 0.00 0.36 0.00 0.00 54.97 54.46 1ijq s GLU 397 Cb 0.00 -2.25 0.13 0.00 0.26 0.00 0.00 34.13 32.27 1ijq s GLU 397 CO 0.00 0.40 0.35 -0.47 -0.54 0.00 0.00 175.26 175.00 1ijq s TYR 398 N -0.20 -0.73 0.13 5.30 6.14 -1.26 -1.97 117.35 124.76 1ijq s TYR 398 Ca -0.02 0.52 -0.03 0.00 0.64 0.00 0.00 57.07 58.18 1ijq s TYR 398 Cb -0.13 -0.13 -0.03 0.00 0.42 0.00 0.00 41.96 42.08 1ijq s TYR 398 CO 0.03 -0.78 0.11 0.95 0.64 0.00 0.00 175.55 176.51 1ijq s THR 399 N 2.49 0.11 -0.24 4.34 -4.23 -0.33 -5.00 115.64 112.78 1ijq s THR 399 Ca 0.11 -1.75 -0.29 0.00 -1.18 0.00 0.00 61.69 58.59 1ijq s THR 399 Cb -0.15 -1.92 0.01 0.00 1.34 0.00 0.00 72.50 71.78 1ijq s THR 399 CO -0.20 -0.48 1.04 -0.55 -0.54 0.00 0.00 174.62 173.89 1ijq s SER 400 N -3.01 7.07 -0.15 3.99 0.15 -1.26 -0.70 113.70 119.79 1ijq s SER 400 Ca 0.20 1.33 -0.11 0.00 0.70 0.00 0.00 55.95 58.07 1ijq s SER 400 Cb 0.06 -2.54 -0.07 0.00 -1.71 0.00 0.00 66.02 61.77 1ijq s SER 400 CO -0.00 -0.69 -0.02 0.25 1.20 0.00 0.00 173.24 173.98 1ijq h LEU 401 N 9.52 0.00 -7.74 3.45 5.85 -1.17 -3.46 115.31 121.76 1ijq h LEU 401 Ca -0.19 -0.15 -0.67 0.00 0.84 0.00 0.00 57.88 57.71 1ijq h LEU 401 Cb 1.06 0.00 -0.39 0.00 0.37 0.00 0.00 40.66 41.70 1ijq h LEU 401 CO 0.98 0.86 -0.72 -0.63 -0.34 0.00 0.00 178.44 178.60 1ijq s ILE 402 N -2.13 2.38 0.67 4.05 -1.09 -0.90 -4.97 121.20 119.20 1ijq s ILE 402 Ca -0.15 -2.19 -0.05 0.00 -2.23 0.00 0.00 60.65 56.03 1ijq s ILE 402 Cb 0.02 -2.68 0.05 0.00 -1.58 0.00 0.00 42.46 38.27 1ijq s ILE 402 CO 0.27 -0.51 0.95 -2.16 -1.23 0.00 0.00 174.94 172.27 1ijq s PRO 403 N 0.96 2.28 -1.29 2.79 0.04 -1.26 -1.05 135.00 137.47 1ijq s PRO 403 Ca 0.07 -0.39 -0.03 0.00 0.04 0.00 0.00 61.00 60.69 1ijq s PRO 403 Cb -0.20 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 32.11 1ijq s PRO 403 CO -0.07 -1.11 0.96 0.09 0.04 0.00 0.00 177.00 176.91 1ijq n ASN 404 N -2.78 -3.00 -4.96 6.66 3.02 -1.12 -4.94 115.26 108.15 1ijq n ASN 404 Ca 0.08 -0.67 -0.23 0.00 -0.03 0.00 0.00 54.58 53.73 1ijq n ASN 404 Cb 0.60 -4.73 -0.02 0.00 -0.61 0.00 0.00 39.78 35.02 1ijq n ASN 404 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ijq s LEU 405 N -6.73 4.29 -0.18 3.41 1.43 0.37 -5.02 118.68 116.25 1ijq s LEU 405 Ca 0.19 0.15 -0.22 0.00 -1.03 0.00 0.00 54.13 53.22 1ijq s LEU 405 Cb -0.09 -2.94 -0.19 0.00 0.03 0.00 0.00 46.19 43.01 1ijq s LEU 405 CO 0.76 -0.06 0.33 0.03 0.23 0.00 0.00 176.35 177.64 1ijq h ARG 406 N 1.44 0.00 -0.16 1.70 3.08 -1.83 -3.38 114.38 115.22 1ijq h ARG 406 Ca -0.51 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.35 1ijq h ARG 406 Cb 1.22 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.12 1ijq h ARG 406 CO 0.63 0.88 -0.46 -1.71 -1.07 0.00 0.00 179.97 178.24 1ijq n ASN 407 N -4.51 -2.90 -4.72 7.04 5.15 -1.14 -4.52 115.26 109.66 1ijq n ASN 407 Ca -0.23 -3.14 -0.41 0.00 -0.60 0.00 0.00 54.58 50.20 1ijq n ASN 407 Cb 0.57 1.76 -0.04 0.00 -0.53 0.00 0.00 39.78 41.54 1ijq n ASN 407 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1ijq s VAL 408 N 0.70 4.74 0.00 3.44 0.11 -0.34 -1.12 120.40 127.93 1ijq s VAL 408 Ca 0.31 1.92 0.00 0.00 -2.93 0.00 0.00 61.98 61.28 1ijq s VAL 408 Cb 0.19 -4.25 0.00 0.00 -1.53 0.00 0.00 36.38 30.79 1ijq s VAL 408 CO -0.21 0.26 0.00 1.33 -3.33 0.00 0.00 175.10 173.15 1ijq n VAL 409 N 3.31 0.00 -3.80 2.04 0.24 -0.50 -4.10 118.33 115.52 1ijq n VAL 409 Ca 0.02 -0.23 -0.11 0.00 -2.04 0.00 0.00 64.34 61.98 1ijq n VAL 409 Cb 0.50 0.83 -0.08 0.00 -1.47 0.00 0.00 33.84 33.63 1ijq n VAL 409 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ijq s ALA 410 N -0.75 -0.52 0.14 2.33 0.00 -1.24 -4.17 121.76 117.55 1ijq s ALA 410 Ca 0.00 -0.13 -0.18 0.00 0.00 0.00 0.00 51.96 51.65 1ijq s ALA 410 Cb 0.00 0.29 0.04 0.00 0.00 0.00 0.00 23.12 23.45 1ijq s ALA 410 CO 0.00 -0.38 0.47 -0.48 0.00 0.00 0.00 175.76 175.37 1ijq s LEU 411 N -2.03 0.09 0.23 0.00 2.34 -1.26 -1.17 118.68 116.88 1ijq s LEU 411 Ca -0.06 -0.25 -0.20 0.00 0.06 0.00 0.00 54.13 53.68 1ijq s LEU 411 Cb -0.01 2.09 0.03 0.00 -0.56 0.00 0.00 46.19 47.74 1ijq s LEU 411 CO -0.03 -0.91 0.64 -0.62 -1.06 0.00 0.00 176.35 174.37 1ijq s ASP 412 N -2.80 -0.33 0.19 1.48 3.68 -0.46 -4.70 116.67 113.73 1ijq s ASP 412 Ca 0.03 -0.44 0.03 0.00 2.13 0.00 0.00 52.55 54.30 1ijq s ASP 412 Cb 0.01 0.66 -0.05 0.00 -1.45 0.00 0.00 42.92 42.09 1ijq s ASP 412 CO -0.11 -1.18 -0.02 0.42 0.13 0.00 0.00 175.17 174.40 1ijq s THR 413 N -3.87 0.92 -0.41 1.71 -4.23 -1.26 -0.46 115.64 108.04 1ijq s THR 413 Ca 0.09 -2.02 -0.05 0.00 -1.18 0.00 0.00 61.69 58.53 1ijq s THR 413 Cb -0.03 -2.14 0.10 0.00 1.34 0.00 0.00 72.50 71.77 1ijq s THR 413 CO 0.00 -0.48 0.22 -1.61 -0.54 0.00 0.00 174.62 172.21 1ijq s GLU 414 N -3.86 2.19 0.07 3.99 2.02 0.27 -4.77 118.70 118.62 1ijq s GLU 414 Ca 0.24 -1.73 -0.26 0.00 0.02 0.00 0.00 54.97 53.24 1ijq s GLU 414 Cb 0.05 -3.64 -0.17 0.00 0.10 0.00 0.00 34.13 30.47 1ijq s GLU 414 CO 0.05 -1.05 1.65 0.28 0.02 0.00 0.00 175.26 176.21 1ijq h VAL 415 N 6.29 0.78 -0.70 2.63 2.07 -1.94 -0.51 116.25 124.87 1ijq h VAL 415 Ca -0.16 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.25 1ijq h VAL 415 Cb 1.06 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.62 1ijq h VAL 415 CO 0.72 0.02 0.35 0.00 0.02 0.00 0.00 177.57 178.68 1ijq h ALA 416 N 0.39 1.28 -0.00 1.67 0.00 -1.95 -2.37 119.26 118.27 1ijq h ALA 416 Ca -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ijq h ALA 416 Cb 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1ijq h ALA 416 CO 0.05 0.56 -0.19 0.43 0.00 0.00 0.00 179.25 180.11 1ijq n SER 417 N -4.34 0.58 -3.55 0.00 7.64 -1.19 -4.96 113.62 107.80 1ijq n SER 417 Ca 0.07 -0.53 -0.22 0.00 1.01 0.00 0.00 58.87 59.19 1ijq n SER 417 Cb 0.13 -0.01 0.08 0.00 -1.01 0.00 0.00 64.21 63.40 1ijq n SER 417 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1ijq n ASN 418 N -0.98 -4.97 -4.33 6.43 4.13 -0.25 -5.00 115.26 110.29 1ijq n ASN 418 Ca 0.12 -0.57 -0.31 0.00 1.68 0.00 0.00 54.58 55.50 1ijq n ASN 418 Cb 0.31 -5.04 -0.16 0.00 -1.54 0.00 0.00 39.78 33.36 1ijq n ASN 418 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1ijq s ARG 419 N -6.02 2.12 0.01 3.52 0.52 -0.87 -4.53 118.95 113.70 1ijq s ARG 419 Ca 0.40 -0.92 0.08 0.00 -0.52 0.00 0.00 55.73 54.77 1ijq s ARG 419 Cb -0.18 -2.07 -0.02 0.00 0.52 0.00 0.00 34.95 33.20 1ijq s ARG 419 CO 0.73 0.56 -0.25 -1.50 0.02 0.00 0.00 175.30 174.87 1ijq s ILE 420 N -0.64 1.95 0.07 1.52 2.07 -0.45 -0.56 121.20 125.16 1ijq s ILE 420 Ca 0.10 -1.16 0.09 0.00 -1.41 0.00 0.00 60.65 58.28 1ijq s ILE 420 Cb -0.10 -1.64 -0.03 0.00 0.13 0.00 0.00 42.46 40.81 1ijq s ILE 420 CO -0.01 0.46 -0.25 -0.31 -1.91 0.00 0.00 174.94 172.92 1ijq s TYR 421 N -0.66 2.16 0.12 3.50 2.02 0.40 -1.42 117.35 123.46 1ijq s TYR 421 Ca 0.10 -0.40 -0.16 0.00 -0.37 0.00 0.00 57.07 56.24 1ijq s TYR 421 Cb -0.09 -1.25 0.04 0.00 -0.40 0.00 0.00 41.96 40.25 1ijq s TYR 421 CO 0.00 0.18 0.41 1.67 -1.57 0.00 0.00 175.55 176.24 1ijq s TRP 422 N -0.90 -0.22 -0.22 2.71 -2.14 -0.20 -1.36 118.94 116.62 1ijq s TRP 422 Ca 0.11 -0.08 -0.06 0.00 2.66 0.00 0.00 56.10 58.73 1ijq s TRP 422 Cb -0.10 0.26 -0.02 0.00 -3.10 0.00 0.00 33.47 30.51 1ijq s TRP 422 CO 0.03 -0.69 0.03 0.45 -2.66 0.00 0.00 176.95 174.10 1ijq s SER 423 N -2.74 4.93 -0.28 -2.66 0.15 -0.32 -0.72 113.70 112.05 1ijq s SER 423 Ca 0.02 -0.21 -0.03 0.00 0.70 0.00 0.00 55.95 56.43 1ijq s SER 423 Cb 0.02 -1.86 0.03 0.00 -1.71 0.00 0.00 66.02 62.50 1ijq s SER 423 CO -0.11 0.02 0.00 -0.62 1.20 0.00 0.00 173.24 173.73 1ijq s ASP 424 N 1.26 4.76 0.38 5.45 3.68 -0.57 -1.41 116.67 130.22 1ijq s ASP 424 Ca 0.04 -1.04 0.20 0.00 2.13 0.00 0.00 52.55 53.89 1ijq s ASP 424 Cb -0.15 -1.74 0.62 0.00 -1.45 0.00 0.00 42.92 40.21 1ijq s ASP 424 CO 0.02 -0.21 1.70 -0.07 0.13 0.00 0.00 175.17 176.74 1ijq h LEU 425 N 8.06 0.00 0.06 -1.34 3.38 -1.41 -1.05 115.31 123.01 1ijq h LEU 425 Ca -0.27 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.46 1ijq h LEU 425 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 1ijq h LEU 425 CO 0.56 0.34 -1.15 0.28 0.09 0.00 0.00 178.44 178.56 1ijq h SER 426 N 0.00 0.19 0.85 -0.43 0.02 -1.92 -3.18 113.55 109.08 1ijq h SER 426 Ca -0.00 -0.21 0.00 0.00 -0.84 0.00 0.00 61.79 60.73 1ijq h SER 426 Cb 0.96 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.43 1ijq h SER 426 CO 0.04 1.17 -0.49 1.67 -1.14 0.00 0.00 176.83 178.08 1ijq n GLN 427 N -3.42 0.20 -3.23 3.45 7.27 -1.20 -4.96 117.38 115.50 1ijq n GLN 427 Ca -0.05 0.07 -0.15 0.00 0.07 0.00 0.00 57.00 56.95 1ijq n GLN 427 Cb 0.98 -1.64 0.08 0.00 2.41 0.00 0.00 30.24 32.07 1ijq n GLN 427 CO 0.00 0.00 0.00 -2.13 0.07 0.00 0.00 177.06 175.00 1ijq n ARG 428 N -1.95 -4.76 -3.60 3.69 0.63 -0.44 -5.02 116.66 105.22 1ijq n ARG 428 Ca 0.04 0.77 -0.11 0.00 -0.92 0.00 0.00 57.85 57.64 1ijq n ARG 428 Cb 0.41 -5.50 -0.03 0.00 0.45 0.00 0.00 32.46 27.78 1ijq n ARG 428 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ijq s MET 429 N -4.93 1.28 -0.18 -0.14 0.23 -0.97 -4.64 119.30 109.96 1ijq s MET 429 Ca 0.13 -0.68 -0.08 0.00 -1.03 0.00 0.00 55.69 54.03 1ijq s MET 429 Cb -0.02 0.54 -0.04 0.00 -1.53 0.00 0.00 34.83 33.78 1ijq s MET 429 CO 0.66 -0.54 0.08 0.42 -2.03 0.00 0.00 175.02 173.61 1ijq s ILE 430 N -3.81 4.97 0.31 3.16 1.01 -0.27 -1.52 121.20 125.05 1ijq s ILE 430 Ca 0.05 0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.77 1ijq s ILE 430 Cb -0.01 -3.24 -0.06 0.00 0.01 0.00 0.00 42.46 39.16 1ijq s ILE 430 CO -0.09 0.47 0.02 0.00 0.00 0.00 0.00 174.94 175.34 1ijq s SER 432 N -3.47 -0.29 0.25 0.00 1.04 0.01 -1.03 113.70 110.21 1ijq s SER 432 Ca 0.34 -0.30 -0.22 0.00 0.48 0.00 0.00 55.95 56.25 1ijq s SER 432 Cb 0.07 0.51 0.03 0.00 0.10 0.00 0.00 66.02 66.73 1ijq s SER 432 CO 0.14 -0.90 0.76 0.28 0.98 0.00 0.00 173.24 174.49 1ijq s THR 433 N -3.81 0.00 -0.23 2.02 -1.32 -0.51 -0.38 115.64 111.41 1ijq s THR 433 Ca 0.04 -0.87 0.19 0.00 -1.21 0.00 0.00 61.69 59.84 1ijq s THR 433 Cb 0.01 -1.92 0.18 0.00 -1.51 0.00 0.00 72.50 69.25 1ijq s THR 433 CO -0.11 0.00 1.54 -0.61 -2.21 0.00 0.00 174.62 173.24 1ijq h GLN 434 N 2.00 0.00 -4.95 7.08 4.15 -1.87 -1.19 115.11 120.33 1ijq h GLN 434 Ca -0.21 0.00 -0.62 0.00 0.77 0.00 0.00 58.65 58.59 1ijq h GLN 434 Cb 1.25 0.00 -0.34 0.00 0.21 0.00 0.00 27.48 28.60 1ijq h GLN 434 CO 0.24 0.30 -0.85 0.71 -1.93 0.00 0.00 178.83 177.30 1ijq s TYR 444 N -3.11 2.21 0.14 3.99 2.02 -1.26 -4.88 117.35 116.45 1ijq s TYR 444 Ca 0.05 -1.01 -0.11 0.00 -0.37 0.00 0.00 57.07 55.63 1ijq s TYR 444 Cb 0.07 -1.54 -0.06 0.00 -0.40 0.00 0.00 41.96 40.03 1ijq s TYR 444 CO 0.71 -0.48 0.47 -0.51 -1.57 0.00 0.00 175.55 174.17 1ijq s ASP 445 N 0.78 6.68 -0.14 2.29 1.01 0.48 -4.92 116.67 122.86 1ijq s ASP 445 Ca -0.10 0.88 -0.21 0.00 0.71 0.00 0.00 52.55 53.84 1ijq s ASP 445 Cb -0.16 -2.21 -0.03 0.00 1.01 0.00 0.00 42.92 41.53 1ijq s ASP 445 CO 0.01 0.09 0.60 -0.89 0.21 0.00 0.00 175.17 175.19 1ijq s THR 446 N -1.53 5.08 -0.14 -1.27 2.01 -1.26 -0.81 115.64 117.72 1ijq s THR 446 Ca 0.38 1.18 -0.13 0.00 0.31 0.00 0.00 61.69 63.42 1ijq s THR 446 Cb -0.13 -3.93 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1ijq s THR 446 CO 0.20 0.22 -0.26 0.52 -0.69 0.00 0.00 174.62 174.61 1ijq n VAL 447 N 4.12 1.25 -5.03 3.82 0.31 0.99 -4.87 118.33 118.91 1ijq n VAL 447 Ca -0.03 0.21 -0.29 0.00 -0.01 0.00 0.00 64.34 64.22 1ijq n VAL 447 Cb 0.51 -2.23 -0.17 0.00 -0.91 0.00 0.00 33.84 31.04 1ijq n VAL 447 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1ijq s ILE 448 N -2.46 1.77 0.00 2.52 -1.09 -0.93 -4.08 121.20 116.92 1ijq s ILE 448 Ca -0.21 -0.86 0.00 0.00 -2.23 0.00 0.00 60.65 57.35 1ijq s ILE 448 Cb 0.03 -1.53 0.00 0.00 -1.58 0.00 0.00 42.46 39.37 1ijq s ILE 448 CO 0.32 0.50 0.08 -1.54 -1.23 0.00 0.00 174.94 173.06 1ijq n SER 449 N 3.49 0.16 -4.34 3.58 3.41 -1.26 -1.11 113.62 117.54 1ijq n SER 449 Ca -0.20 -0.92 -0.20 0.00 -0.26 0.00 0.00 58.87 57.29 1ijq n SER 449 Cb 0.53 0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.38 1ijq n SER 449 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1ijq s ARG 450 N -0.02 1.31 -1.32 4.33 0.52 -1.26 -4.84 118.95 117.68 1ijq s ARG 450 Ca 0.00 -1.50 -0.02 0.00 -0.52 0.00 0.00 55.73 53.69 1ijq s ARG 450 Cb 0.00 -1.25 -0.00 0.00 0.52 0.00 0.00 34.95 34.22 1ijq s ARG 450 CO 0.00 0.23 0.62 -0.25 0.02 0.00 0.00 175.30 175.92 1ijq n ASP 451 N -0.04 -1.38 -3.81 0.23 8.00 -1.26 -4.99 116.55 113.29 1ijq n ASP 451 Ca -0.10 -0.90 -0.14 0.00 0.71 0.00 0.00 54.79 54.36 1ijq n ASP 451 Cb 0.59 -3.68 -0.15 0.00 -0.02 0.00 0.00 41.12 37.85 1ijq n ASP 451 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1ijq s ILE 452 N -3.74 -0.03 0.00 0.53 2.07 -1.26 -5.07 121.20 113.69 1ijq s ILE 452 Ca 0.06 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.43 1ijq s ILE 452 Cb -0.02 -0.06 0.00 0.00 0.13 0.00 0.00 42.46 42.51 1ijq s ILE 452 CO 0.84 0.06 0.00 0.00 -1.91 0.00 0.00 174.94 173.93 1ijq n GLN 453 N 3.74 0.00 -3.37 3.50 1.13 -1.26 -5.02 117.38 116.10 1ijq n GLN 453 Ca -0.22 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.58 1ijq n GLN 453 Cb 0.54 -0.03 -0.09 0.00 0.11 0.00 0.00 30.24 30.77 1ijq n GLN 453 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ijq n ALA 454 N -1.60 2.84 -2.11 -1.58 0.00 -1.26 -5.00 120.51 111.79 1ijq n ALA 454 Ca 0.00 -3.41 -0.39 0.00 0.00 0.00 0.00 53.44 49.64 1ijq n ALA 454 Cb 0.00 -0.80 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 1ijq n ALA 454 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1ijq s PRO 455 N -0.60 2.73 0.00 0.00 0.02 -1.26 -2.93 135.00 132.96 1ijq s PRO 455 Ca 0.33 0.52 0.25 0.00 0.02 0.00 0.00 61.00 62.12 1ijq s PRO 455 Cb 0.08 -4.35 0.46 0.00 0.02 0.00 0.00 34.50 30.71 1ijq s PRO 455 CO -0.16 -2.62 1.41 -0.25 -0.33 0.00 0.00 177.00 175.05 1ijq n ASP 456 N 12.19 2.51 -3.73 2.53 8.00 -1.23 -4.73 116.55 132.09 1ijq n ASP 456 Ca 0.18 -1.83 -0.12 0.00 0.71 0.00 0.00 54.79 53.72 1ijq n ASP 456 Cb 0.51 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.51 1ijq n ASP 456 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ijq s GLY 457 N -2.01 -0.27 0.09 0.44 0.00 -1.17 -4.70 107.32 99.71 1ijq s GLY 457 Ca 0.31 1.16 0.07 0.00 0.00 0.00 0.00 44.72 46.26 1ijq s GLY 457 CO 0.31 1.16 -0.19 1.08 0.00 0.00 0.00 173.10 175.47 1ijq s LEU 458 N 0.69 2.28 -0.19 0.66 1.43 -1.26 -1.66 118.68 120.63 1ijq s LEU 458 Ca -0.04 -0.64 -0.06 0.00 -1.03 0.00 0.00 54.13 52.36 1ijq s LEU 458 Cb -0.05 -0.77 0.09 0.00 0.03 0.00 0.00 46.19 45.49 1ijq s LEU 458 CO -0.05 0.03 0.37 0.00 0.23 0.00 0.00 176.35 176.93 1ijq s ALA 459 N -1.15 -0.98 -0.16 4.21 0.00 0.24 -4.67 121.76 119.25 1ijq s ALA 459 Ca 0.04 1.23 -0.13 0.00 0.00 0.00 0.00 51.96 53.09 1ijq s ALA 459 Cb -0.10 -1.32 -0.05 0.00 0.00 0.00 0.00 23.12 21.66 1ijq s ALA 459 CO 0.03 -0.84 0.28 0.08 0.00 0.00 0.00 175.76 175.32 1ijq s VAL 460 N 2.55 5.31 -0.62 0.00 1.01 -1.26 -0.47 120.40 126.93 1ijq s VAL 460 Ca 0.02 0.52 -0.24 0.00 0.00 0.00 0.00 61.98 62.27 1ijq s VAL 460 Cb -0.13 -3.62 0.05 0.00 0.00 0.00 0.00 36.38 32.68 1ijq s VAL 460 CO -0.12 0.40 1.02 -0.62 0.00 0.00 0.00 175.10 175.77 1ijq s ASP 461 N 0.42 6.27 0.29 3.32 -1.08 0.75 -4.88 116.67 121.76 1ijq s ASP 461 Ca 0.16 -0.53 0.26 0.00 -0.52 0.00 0.00 52.55 51.91 1ijq s ASP 461 Cb -0.13 -2.46 0.88 0.00 -1.46 0.00 0.00 42.92 39.75 1ijq s ASP 461 CO 0.03 -1.41 1.76 4.11 0.52 0.00 0.00 175.17 180.19 1ijq h TRP 462 N 9.52 0.00 0.08 -5.34 0.09 -1.91 0.55 115.95 118.94 1ijq h TRP 462 Ca -0.27 0.00 -0.24 0.00 0.09 0.00 0.00 58.89 58.47 1ijq h TRP 462 Cb 1.07 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 30.30 1ijq h TRP 462 CO 0.97 0.00 -1.22 0.82 0.09 0.00 0.00 178.44 179.10 1ijq h ILE 463 N 0.00 1.10 -0.01 0.12 2.04 -1.93 -3.39 117.51 115.44 1ijq h ILE 463 Ca 0.00 -2.36 0.00 0.00 1.00 0.00 0.00 64.86 63.50 1ijq h ILE 463 Cb 0.61 2.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 1ijq h ILE 463 CO 0.00 0.63 -0.59 1.41 0.00 0.00 0.00 178.15 179.60 1ijq n HIS 464 N -4.09 0.00 -3.20 1.37 8.25 -1.20 -4.68 115.22 111.67 1ijq n HIS 464 Ca -0.24 0.00 -0.15 0.00 -0.26 0.00 0.00 57.72 57.07 1ijq n HIS 464 Cb 0.82 -0.06 0.07 0.00 1.12 0.00 0.00 29.99 31.94 1ijq n HIS 464 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1ijq n SER 465 N -0.77 -2.41 -4.28 0.41 7.64 0.17 -4.96 113.62 109.41 1ijq n SER 465 Ca 0.08 -0.50 -0.24 0.00 1.01 0.00 0.00 58.87 59.22 1ijq n SER 465 Cb 0.39 -4.29 -0.13 0.00 -1.01 0.00 0.00 64.21 59.17 1ijq n SER 465 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1ijq s ASN 466 N -4.03 2.47 -0.08 6.43 0.01 -1.10 -1.70 114.94 116.95 1ijq s ASN 466 Ca 0.05 -0.67 0.03 0.00 -0.71 0.00 0.00 52.86 51.56 1ijq s ASN 466 Cb -0.02 -0.14 -0.02 0.00 0.41 0.00 0.00 41.25 41.48 1ijq s ASN 466 CO 0.60 0.06 -0.15 -0.51 -1.51 0.00 0.00 177.10 175.58 1ijq s ILE 467 N -1.14 2.91 -0.06 0.60 -1.16 0.11 -0.18 121.20 122.29 1ijq s ILE 467 Ca 0.06 -0.75 0.01 0.00 -0.51 0.00 0.00 60.65 59.46 1ijq s ILE 467 Cb -0.10 -2.16 -0.03 0.00 0.61 0.00 0.00 42.46 40.78 1ijq s ILE 467 CO 0.04 0.56 -0.06 -0.31 -2.81 0.00 0.00 174.94 172.36 1ijq s TYR 468 N -0.26 2.95 -0.03 3.50 2.02 0.38 -1.13 117.35 124.78 1ijq s TYR 468 Ca 0.01 0.03 -0.11 0.00 -0.37 0.00 0.00 57.07 56.63 1ijq s TYR 468 Cb -0.13 -1.70 0.02 0.00 -0.40 0.00 0.00 41.96 39.75 1ijq s TYR 468 CO 0.03 0.35 0.25 1.67 -1.57 0.00 0.00 175.55 176.27 1ijq s TRP 469 N -0.85 -0.14 0.32 2.71 -2.14 -0.61 -0.59 118.94 117.65 1ijq s TRP 469 Ca 0.13 0.24 0.01 0.00 2.66 0.00 0.00 56.10 59.14 1ijq s TRP 469 Cb -0.11 0.05 -0.03 0.00 -3.10 0.00 0.00 33.47 30.28 1ijq s TRP 469 CO 0.02 -0.31 0.51 0.95 -2.66 0.00 0.00 176.95 175.47 1ijq s THR 470 N -1.04 5.14 -0.25 0.66 -4.23 -0.66 -1.08 115.64 114.17 1ijq s THR 470 Ca -0.11 -0.57 -0.04 0.00 -1.18 0.00 0.00 61.69 59.79 1ijq s THR 470 Cb -0.05 -3.86 0.09 0.00 1.34 0.00 0.00 72.50 70.02 1ijq s THR 470 CO 0.03 -0.51 0.12 -0.62 -0.54 0.00 0.00 174.62 173.10 1ijq s ASP 471 N -4.01 3.10 0.55 3.99 -1.08 -0.43 -3.55 116.67 115.24 1ijq s ASP 471 Ca 0.39 -1.06 0.33 0.00 -0.52 0.00 0.00 52.55 51.69 1ijq s ASP 471 Cb -0.09 -0.29 1.45 0.00 -1.46 0.00 0.00 42.92 42.52 1ijq s ASP 471 CO 0.34 -0.41 2.02 0.77 0.52 0.00 0.00 175.17 178.42 1ijq h SER 472 N 8.41 0.00 0.15 -0.34 4.64 -1.59 -0.18 113.55 124.64 1ijq h SER 472 Ca -0.18 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.83 1ijq h SER 472 Cb 1.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.15 1ijq h SER 472 CO 0.39 0.05 -1.52 0.58 -0.87 0.00 0.00 176.83 175.46 1ijq h VAL 473 N 0.00 1.02 0.00 0.95 2.07 -1.87 -3.37 116.25 115.06 1ijq h VAL 473 Ca -0.00 -2.46 0.00 0.00 0.82 0.00 0.00 66.70 65.06 1ijq h VAL 473 Cb 0.46 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1ijq h VAL 473 CO 0.01 0.77 -0.17 0.18 0.02 0.00 0.00 177.57 178.37 1ijq n LEU 474 N -3.80 0.68 -1.42 2.57 4.77 -1.14 -4.90 117.00 113.77 1ijq n LEU 474 Ca -0.24 0.46 -0.09 0.00 -0.03 0.00 0.00 56.01 56.11 1ijq n LEU 474 Cb 0.97 -0.30 0.02 0.00 -2.33 0.00 0.00 43.42 41.78 1ijq n LEU 474 CO 0.46 -0.12 0.02 0.61 -1.33 0.00 0.00 177.39 177.03 1ijq n GLY 475 N 1.35 0.24 3.34 -0.72 0.00 -0.10 -4.58 105.19 104.71 1ijq n GLY 475 Ca 0.05 -0.40 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 1ijq n GLY 475 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ijq s THR 476 N -2.85 1.76 -0.09 2.61 -4.23 -1.06 -0.57 115.64 111.22 1ijq s THR 476 Ca 0.14 -2.12 0.03 0.00 -1.18 0.00 0.00 61.69 58.56 1ijq s THR 476 Cb -0.06 -1.98 0.01 0.00 1.34 0.00 0.00 72.50 71.80 1ijq s THR 476 CO 0.18 -0.51 -0.20 -0.69 -0.54 0.00 0.00 174.62 172.86 1ijq s VAL 477 N -2.70 1.72 0.18 2.29 1.01 -0.65 -1.31 120.40 120.93 1ijq s VAL 477 Ca 0.20 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.41 1ijq s VAL 477 Cb -0.02 -1.51 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1ijq s VAL 477 CO 0.07 0.48 -0.07 -0.44 0.00 0.00 0.00 175.10 175.15 1ijq s SER 478 N 0.48 1.83 0.04 3.32 0.01 -0.24 -0.73 113.70 118.41 1ijq s SER 478 Ca -0.17 -1.09 0.03 0.00 1.31 0.00 0.00 55.95 56.03 1ijq s SER 478 Cb -0.17 -0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.03 1ijq s SER 478 CO 0.07 -0.39 -0.09 0.54 0.41 0.00 0.00 173.24 173.77 1ijq s VAL 479 N -3.35 0.66 0.07 3.43 0.11 -0.31 -1.57 120.40 119.44 1ijq s VAL 479 Ca 0.21 -0.95 -0.12 0.00 -2.93 0.00 0.00 61.98 58.19 1ijq s VAL 479 Cb 0.04 -0.67 0.01 0.00 -1.53 0.00 0.00 36.38 34.23 1ijq s VAL 479 CO 0.04 -0.23 0.28 0.00 -3.33 0.00 0.00 175.10 171.85 1ijq s ALA 480 N -1.09 -0.56 0.92 1.54 0.00 -0.29 -0.99 121.76 121.30 1ijq s ALA 480 Ca -0.06 -0.23 -0.11 0.00 0.00 0.00 0.00 51.96 51.56 1ijq s ALA 480 Cb -0.08 0.45 0.15 0.00 0.00 0.00 0.00 23.12 23.63 1ijq s ALA 480 CO 0.01 -0.49 1.11 0.16 0.00 0.00 0.00 175.76 176.55 1ijq s ASP 481 N -2.48 3.02 0.00 0.00 1.47 -0.88 0.05 116.67 117.85 1ijq s ASP 481 Ca -0.00 1.91 0.12 0.00 1.18 0.00 0.00 52.55 55.75 1ijq s ASP 481 Cb 0.02 -2.46 0.53 0.00 -0.34 0.00 0.00 42.92 40.67 1ijq s ASP 481 CO -0.08 -2.99 1.33 0.35 0.68 0.00 0.00 175.17 174.47 1ijq n THR 482 N -4.15 1.01 1.12 2.11 -2.24 -0.69 -1.10 114.28 110.35 1ijq n THR 482 Ca 0.09 0.25 0.12 0.00 -2.27 0.00 0.00 64.05 62.25 1ijq n THR 482 Cb 0.53 -1.06 0.19 0.00 -2.10 0.00 0.00 70.33 67.90 1ijq n THR 482 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1ijq n LYS 483 N -1.42 1.90 -1.28 -0.78 3.00 -1.26 -4.88 118.16 113.45 1ijq n LYS 483 Ca 0.04 -1.47 -0.10 0.00 -0.00 0.00 0.00 58.31 56.78 1ijq n LYS 483 Cb 0.12 -1.47 -0.04 0.00 0.00 0.00 0.00 35.03 33.64 1ijq n LYS 483 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1ijq n GLY 484 N 1.32 1.12 0.08 3.14 0.00 -0.26 -4.79 105.19 105.81 1ijq n GLY 484 Ca 0.14 -0.53 -0.14 0.00 0.00 0.00 0.00 46.02 45.49 1ijq n GLY 484 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1ijq h VAL 485 N 0.00 1.51 -3.82 1.61 2.07 -1.86 -3.46 116.25 112.30 1ijq h VAL 485 Ca -0.20 -1.67 -0.68 0.00 0.82 0.00 0.00 66.70 64.97 1ijq h VAL 485 Cb 0.66 2.56 -0.20 0.00 -1.52 0.00 0.00 31.29 32.79 1ijq h VAL 485 CO 0.29 0.45 -0.75 -0.54 0.02 0.00 0.00 177.57 177.04 1ijq s LYS 486 N -3.50 2.38 0.07 1.57 1.02 -1.26 -5.02 119.74 115.00 1ijq s LYS 486 Ca -0.16 -0.80 -0.17 0.00 0.02 0.00 0.00 55.97 54.86 1ijq s LYS 486 Cb 0.01 -2.37 0.03 0.00 -0.52 0.00 0.00 37.83 34.98 1ijq s LYS 486 CO 0.71 0.59 0.40 -0.98 -0.92 0.00 0.00 175.35 175.15 1ijq s ARG 487 N -1.27 0.96 -0.10 1.68 1.70 -1.26 -2.07 118.95 118.59 1ijq s ARG 487 Ca 0.15 -0.50 -0.12 0.00 -0.47 0.00 0.00 55.73 54.79 1ijq s ARG 487 Cb -0.11 0.43 0.03 0.00 -0.57 0.00 0.00 34.95 34.73 1ijq s ARG 487 CO 0.05 -0.34 0.32 0.21 -1.08 0.00 0.00 175.30 174.46 1ijq s LYS 488 N -2.96 0.44 -0.26 3.89 2.20 -0.16 -4.52 119.74 118.36 1ijq s LYS 488 Ca -0.02 0.33 -0.25 0.00 -0.36 0.00 0.00 55.97 55.68 1ijq s LYS 488 Cb 0.00 0.21 -0.00 0.00 -1.51 0.00 0.00 37.83 36.53 1ijq s LYS 488 CO -0.06 -0.07 0.84 0.99 -0.36 0.00 0.00 175.35 176.69 1ijq s THR 489 N -0.11 4.81 -0.13 3.43 2.01 -1.26 -1.16 115.64 123.23 1ijq s THR 489 Ca -0.03 1.51 0.18 0.00 0.31 0.00 0.00 61.69 63.66 1ijq s THR 489 Cb -0.03 -4.14 -0.18 0.00 0.01 0.00 0.00 72.50 68.16 1ijq s THR 489 CO 0.01 -0.13 0.65 0.18 -0.69 0.00 0.00 174.62 174.64 1ijq n LEU 490 N 6.10 0.60 -3.77 4.42 4.77 0.09 -4.95 117.00 124.26 1ijq n LEU 490 Ca 0.06 0.26 -0.13 0.00 -0.03 0.00 0.00 56.01 56.17 1ijq n LEU 490 Cb 0.48 0.13 -0.12 0.00 -2.33 0.00 0.00 43.42 41.58 1ijq n LEU 490 CO 0.49 0.18 -0.07 0.12 -1.33 0.00 0.00 177.39 176.78 1ijq s PHE 491 N -2.93 -0.31 -0.17 -1.77 5.36 -0.91 -4.85 117.98 112.40 1ijq s PHE 491 Ca -0.05 0.75 -0.05 0.00 -0.96 0.00 0.00 56.93 56.63 1ijq s PHE 491 Cb 0.09 0.10 0.08 0.00 -0.34 0.00 0.00 43.02 42.95 1ijq s PHE 491 CO 0.83 -0.16 0.32 0.50 -1.46 0.00 0.00 175.22 175.25 1ijq s ARG 492 N 0.29 0.23 -0.11 10.12 3.52 -1.26 -1.64 118.95 130.11 1ijq s ARG 492 Ca -0.01 0.75 -0.03 0.00 -0.13 0.00 0.00 55.73 56.31 1ijq s ARG 492 Cb -0.03 -0.10 0.05 0.00 -1.56 0.00 0.00 34.95 33.31 1ijq s ARG 492 CO -0.01 -0.36 0.10 -2.00 -0.81 0.00 0.00 175.30 172.23 1ijq s GLU 493 N 2.48 0.01 0.31 5.12 2.12 0.27 -5.01 118.70 124.01 1ijq s GLU 493 Ca 0.02 0.25 -0.29 0.00 0.36 0.00 0.00 54.97 55.31 1ijq s GLU 493 Cb -0.13 -0.97 -0.10 0.00 0.26 0.00 0.00 34.13 33.19 1ijq s GLU 493 CO -0.11 -0.47 1.38 -0.80 -0.54 0.00 0.00 175.26 174.71 1ijq s ASN 494 N 2.20 6.67 0.00 -1.70 0.01 -1.26 -2.24 114.94 118.63 1ijq s ASN 494 Ca 0.04 2.73 0.00 0.00 -0.71 0.00 0.00 52.86 54.92 1ijq s ASN 494 Cb -0.14 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.88 1ijq s ASN 494 CO -0.06 -0.64 0.00 0.61 -1.51 0.00 0.00 177.10 175.50 1ijq n GLY 495 N 1.22 2.97 3.75 0.66 0.00 -1.26 -5.04 105.19 107.49 1ijq n GLY 495 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 1ijq n GLY 495 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ijq s SER 496 N 0.62 4.36 -0.48 1.61 1.04 -0.95 -4.63 113.70 115.28 1ijq s SER 496 Ca 0.00 1.97 0.07 0.00 0.48 0.00 0.00 55.95 58.48 1ijq s SER 496 Cb 0.00 -2.54 0.26 0.00 0.10 0.00 0.00 66.02 63.83 1ijq s SER 496 CO 0.00 -2.13 0.62 0.29 0.98 0.00 0.00 173.24 173.00 1ijq n LYS 497 N -3.30 1.44 -1.78 4.02 5.02 -1.26 -4.35 118.16 117.95 1ijq n LYS 497 Ca 0.10 -3.79 -0.41 0.00 -2.02 0.00 0.00 58.31 52.19 1ijq n LYS 497 Cb 0.52 -1.63 -0.00 0.00 -0.02 0.00 0.00 35.03 33.89 1ijq n LYS 497 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1ijq s PRO 498 N -1.76 4.10 0.00 1.97 0.04 -1.26 -1.95 135.00 136.14 1ijq s PRO 498 Ca 0.37 2.59 0.00 0.00 0.04 0.00 0.00 61.00 64.01 1ijq s PRO 498 Cb 0.17 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.73 1ijq s PRO 498 CO -0.07 -0.58 0.00 -2.13 0.04 0.00 0.00 177.00 174.26 1ijq n ARG 499 N 0.96 0.00 -3.09 4.56 0.63 0.20 -3.62 116.66 116.30 1ijq n ARG 499 Ca 0.03 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.60 1ijq n ARG 499 Cb 0.39 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.23 1ijq n ARG 499 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1ijq s ALA 500 N -2.00 3.40 -0.02 5.13 0.00 -1.25 -3.02 121.76 123.99 1ijq s ALA 500 Ca 0.00 0.16 -0.04 0.00 0.00 0.00 0.00 51.96 52.08 1ijq s ALA 500 Cb 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.30 1ijq s ALA 500 CO 0.00 0.32 0.10 -1.50 0.00 0.00 0.00 175.76 174.68 1ijq s ILE 501 N -1.57 0.05 0.02 0.00 2.07 -1.26 -0.52 121.20 119.99 1ijq s ILE 501 Ca 0.44 -0.39 -0.01 0.00 -1.41 0.00 0.00 60.65 59.28 1ijq s ILE 501 Cb -0.16 -0.27 -0.02 0.00 0.13 0.00 0.00 42.46 42.14 1ijq s ILE 501 CO 0.21 -0.21 -0.00 0.68 -1.91 0.00 0.00 174.94 173.70 1ijq s VAL 502 N -0.69 0.11 0.17 4.00 -7.23 -0.05 -4.44 120.40 112.27 1ijq s VAL 502 Ca -0.08 -0.93 0.10 0.00 -1.81 0.00 0.00 61.98 59.27 1ijq s VAL 502 Cb -0.05 -0.36 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 1ijq s VAL 502 CO 0.00 -0.51 -0.23 0.68 -0.31 0.00 0.00 175.10 174.73 1ijq s VAL 503 N -1.59 2.17 -0.47 1.32 -7.23 -1.26 -1.31 120.40 112.03 1ijq s VAL 503 Ca -0.15 -1.92 0.03 0.00 -1.81 0.00 0.00 61.98 58.13 1ijq s VAL 503 Cb -0.09 -1.99 0.13 0.00 0.56 0.00 0.00 36.38 34.99 1ijq s VAL 503 CO -0.01 -0.12 0.24 -0.62 -0.31 0.00 0.00 175.10 174.28 1ijq s ASP 504 N -2.50 3.97 0.00 4.85 -1.08 0.44 -4.97 116.67 117.38 1ijq s ASP 504 Ca 0.17 -2.77 0.25 0.00 -0.52 0.00 0.00 52.55 49.68 1ijq s ASP 504 Cb -0.08 -1.31 1.19 0.00 -1.46 0.00 0.00 42.92 41.27 1ijq s ASP 504 CO 0.08 -0.26 1.81 -0.81 0.52 0.00 0.00 175.17 176.52 1ijq n PRO 505 N 3.39 0.26 0.07 4.34 -0.04 -1.26 -0.57 135.00 141.19 1ijq n PRO 505 Ca 0.07 0.06 -0.22 0.00 -0.04 0.00 0.00 63.50 63.37 1ijq n PRO 505 Cb 0.34 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 1ijq n PRO 505 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1ijq h VAL 506 N 0.00 1.26 -0.01 0.52 2.07 -1.94 -3.38 116.25 114.78 1ijq h VAL 506 Ca 0.00 -2.55 0.00 0.00 0.82 0.00 0.00 66.70 64.97 1ijq h VAL 506 Cb 0.28 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.04 1ijq h VAL 506 CO 0.00 0.76 -0.62 1.41 0.02 0.00 0.00 177.57 179.13 1ijq n HIS 507 N -3.90 0.00 -1.16 1.57 8.25 -1.15 -5.00 115.22 113.84 1ijq n HIS 507 Ca -0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1ijq n HIS 507 Cb 0.95 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.06 1ijq n HIS 507 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ijq n GLY 508 N 1.42 0.66 3.39 -1.41 0.00 0.26 -0.93 105.19 108.58 1ijq n GLY 508 Ca 0.07 -0.75 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 1ijq n GLY 508 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ijq s PHE 509 N -2.00 2.02 0.07 1.61 0.08 -0.92 -1.11 117.98 117.73 1ijq s PHE 509 Ca 0.00 -0.43 0.06 0.00 0.12 0.00 0.00 56.93 56.68 1ijq s PHE 509 Cb 0.00 -0.95 -0.03 0.00 -0.57 0.00 0.00 43.02 41.47 1ijq s PHE 509 CO 0.00 0.47 -0.17 0.00 -0.10 0.00 0.00 175.22 175.42 1ijq s MET 510 N -3.12 0.97 -0.03 0.44 0.23 0.74 -0.42 119.30 118.11 1ijq s MET 510 Ca 0.22 -0.98 0.03 0.00 -1.03 0.00 0.00 55.69 53.92 1ijq s MET 510 Cb -0.05 -1.07 0.00 0.00 -1.53 0.00 0.00 34.83 32.18 1ijq s MET 510 CO 0.09 0.25 -0.12 0.71 -2.03 0.00 0.00 175.02 173.93 1ijq s TYR 511 N -1.13 1.22 0.05 3.16 2.02 -0.43 -1.47 117.35 120.77 1ijq s TYR 511 Ca 0.02 -0.33 -0.09 0.00 -0.37 0.00 0.00 57.07 56.30 1ijq s TYR 511 Cb -0.10 -0.85 0.00 0.00 -0.40 0.00 0.00 41.96 40.61 1ijq s TYR 511 CO 0.03 -0.13 0.19 1.67 -1.57 0.00 0.00 175.55 175.73 1ijq s TRP 512 N 0.18 0.10 0.33 2.71 -2.14 -0.57 -0.88 118.94 118.67 1ijq s TRP 512 Ca -0.04 -0.39 -0.01 0.00 2.66 0.00 0.00 56.10 58.32 1ijq s TRP 512 Cb -0.10 -0.05 -0.04 0.00 -3.10 0.00 0.00 33.47 30.19 1ijq s TRP 512 CO 0.01 -0.46 0.54 0.95 -2.66 0.00 0.00 176.95 175.33 1ijq s THR 513 N -2.99 5.10 -0.16 0.66 -4.23 0.32 -0.46 115.64 113.88 1ijq s THR 513 Ca -0.02 -0.36 -0.04 0.00 -1.18 0.00 0.00 61.69 60.09 1ijq s THR 513 Cb 0.01 -3.83 0.08 0.00 1.34 0.00 0.00 72.50 70.10 1ijq s THR 513 CO -0.06 -0.50 0.25 -0.62 -0.54 0.00 0.00 174.62 173.15 1ijq s ASP 514 N -3.84 0.72 -0.23 3.99 -1.08 -0.31 -0.63 116.67 115.30 1ijq s ASP 514 Ca 0.41 0.26 0.14 0.00 -0.52 0.00 0.00 52.55 52.84 1ijq s ASP 514 Cb -0.10 0.60 0.70 0.00 -1.46 0.00 0.00 42.92 42.66 1ijq s ASP 514 CO 0.35 -0.28 1.64 -2.67 0.52 0.00 0.00 175.17 174.73 1ijq n TRP 515 N 5.34 1.70 -0.87 -5.34 4.27 -0.82 -1.53 117.44 120.19 1ijq n TRP 515 Ca -0.06 -0.87 -0.03 0.00 -3.89 0.00 0.00 57.50 52.65 1ijq n TRP 515 Cb 0.50 -0.47 0.03 0.00 -1.36 0.00 0.00 31.31 30.00 1ijq n TRP 515 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1ijq n GLY 516 N 0.05 -1.73 3.80 -1.67 0.00 -1.26 -4.84 105.19 99.55 1ijq n GLY 516 Ca 0.27 -1.58 -0.36 0.00 0.00 0.00 0.00 46.02 44.35 1ijq n GLY 516 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ijq s THR 517 N -1.29 5.33 0.32 2.61 -4.23 -1.26 -2.06 115.64 115.06 1ijq s THR 517 Ca 0.08 0.15 -0.26 0.00 -1.18 0.00 0.00 61.69 60.48 1ijq s THR 517 Cb -0.00 -3.35 -0.14 0.00 1.34 0.00 0.00 72.50 70.34 1ijq s THR 517 CO 0.06 0.56 0.78 -0.81 -0.54 0.00 0.00 174.62 174.67 1ijq n PRO 518 N 2.53 0.86 -1.87 3.99 -0.04 -1.26 -5.01 135.00 134.20 1ijq n PRO 518 Ca -0.19 0.31 -0.31 0.00 -0.04 0.00 0.00 63.50 63.27 1ijq n PRO 518 Cb 0.54 -1.60 0.02 0.00 -0.04 0.00 0.00 33.50 32.43 1ijq n PRO 518 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ijq s ALA 519 N -1.18 3.01 0.13 0.55 0.00 -0.88 -4.92 121.76 118.47 1ijq s ALA 519 Ca 0.61 -0.19 -0.25 0.00 0.00 0.00 0.00 51.96 52.14 1ijq s ALA 519 Cb -0.71 -3.06 0.08 0.00 0.00 0.00 0.00 23.12 19.44 1ijq s ALA 519 CO 0.58 -0.87 1.07 -1.59 0.00 0.00 0.00 175.76 174.95 1ijq s LYS 520 N -5.25 1.06 -0.17 0.00 0.00 -0.58 -4.72 119.74 110.08 1ijq s LYS 520 Ca 0.56 -0.64 -0.02 0.00 0.00 0.00 0.00 55.97 55.88 1ijq s LYS 520 Cb -0.11 0.32 -0.01 0.00 0.00 0.00 0.00 37.83 38.03 1ijq s LYS 520 CO 0.53 -0.49 -0.09 0.42 0.00 0.00 0.00 175.35 175.72 1ijq s ILE 521 N -2.58 3.24 0.11 3.79 1.01 -0.62 -1.16 121.20 124.99 1ijq s ILE 521 Ca 0.18 -0.57 0.03 0.00 0.00 0.00 0.00 60.65 60.28 1ijq s ILE 521 Cb -0.01 -2.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 1ijq s ILE 521 CO 0.02 0.49 0.18 -0.54 0.00 0.00 0.00 174.94 175.09 1ijq s LYS 522 N 0.76 3.16 -0.00 2.79 -0.14 0.40 -0.61 119.74 126.11 1ijq s LYS 522 Ca -0.04 -0.65 0.05 0.00 -1.36 0.00 0.00 55.97 53.97 1ijq s LYS 522 Cb -0.15 -2.84 -0.01 0.00 -1.68 0.00 0.00 37.83 33.14 1ijq s LYS 522 CO 0.02 0.55 -0.15 0.21 -0.76 0.00 0.00 175.35 175.21 1ijq s LYS 523 N -2.81 1.16 0.19 1.68 2.20 -0.21 -1.51 119.74 120.45 1ijq s LYS 523 Ca 0.32 -0.58 -0.24 0.00 -0.36 0.00 0.00 55.97 55.11 1ijq s LYS 523 Cb -0.12 -1.14 0.05 0.00 -1.51 0.00 0.00 37.83 35.12 1ijq s LYS 523 CO 0.25 0.31 0.86 0.20 -0.36 0.00 0.00 175.35 176.61 1ijq s GLY 524 N -0.52 -0.20 0.80 5.54 0.00 -0.54 -1.20 107.32 111.20 1ijq s GLY 524 Ca 0.05 0.01 -0.11 0.00 0.00 0.00 0.00 44.72 44.67 1ijq s GLY 524 CO -0.00 -0.01 1.09 -0.32 0.00 0.00 0.00 173.10 173.86 1ijq s GLY 525 N -2.91 1.67 0.00 0.20 0.00 0.42 -0.19 107.32 106.51 1ijq s GLY 525 Ca 0.11 0.22 0.18 0.00 0.00 0.00 0.00 44.72 45.23 1ijq s GLY 525 CO 0.03 0.59 1.55 1.04 0.00 0.00 0.00 173.10 176.31 1ijq n LEU 526 N -3.61 0.00 -0.85 0.66 4.77 -0.27 -1.06 117.00 116.65 1ijq n LEU 526 Ca 0.09 0.41 0.08 0.00 -0.03 0.00 0.00 56.01 56.56 1ijq n LEU 526 Cb 0.53 -0.41 0.18 0.00 -2.33 0.00 0.00 43.42 41.39 1ijq n LEU 526 CO 0.54 -0.17 0.64 -0.46 -1.33 0.00 0.00 177.39 176.61 1ijq n ASN 527 N -1.41 3.06 0.00 -1.43 6.94 -0.99 -4.58 115.26 116.86 1ijq n ASN 527 Ca 0.06 -1.90 0.00 0.00 -0.02 0.00 0.00 54.58 52.72 1ijq n ASN 527 Cb 0.18 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.36 1ijq n ASN 527 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ijq n GLY 528 N 0.96 0.77 3.75 4.83 0.00 -0.22 -5.04 105.19 110.25 1ijq n GLY 528 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1ijq n GLY 528 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ijq s VAL 529 N -2.89 4.25 -1.25 1.61 1.01 -1.26 -4.28 120.40 117.59 1ijq s VAL 529 Ca 0.00 1.99 -0.02 0.00 0.00 0.00 0.00 61.98 63.94 1ijq s VAL 529 Cb 0.00 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 32.10 1ijq s VAL 529 CO 0.00 0.46 1.00 0.47 0.00 0.00 0.00 175.10 177.03 1ijq n ASP 530 N 1.84 -2.90 -4.72 3.32 9.92 -1.26 -0.43 116.55 122.32 1ijq n ASP 530 Ca -0.02 -0.63 -0.42 0.00 -0.53 0.00 0.00 54.79 53.19 1ijq n ASP 530 Cb 0.48 -4.96 -0.03 0.00 -0.64 0.00 0.00 41.12 35.97 1ijq n ASP 530 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1ijq s ILE 531 N -3.38 3.72 0.27 0.53 1.01 -1.26 -4.53 121.20 117.55 1ijq s ILE 531 Ca 0.14 1.32 -0.14 0.00 0.00 0.00 0.00 60.65 61.97 1ijq s ILE 531 Cb -0.06 -3.84 0.01 0.00 0.01 0.00 0.00 42.46 38.57 1ijq s ILE 531 CO 0.74 0.15 0.55 -0.72 0.00 0.00 0.00 174.94 175.66 1ijq s TYR 532 N 0.58 0.29 -0.36 3.97 -0.85 -0.34 -5.00 117.35 115.64 1ijq s TYR 532 Ca 0.57 -0.68 -0.20 0.00 -0.52 0.00 0.00 57.07 56.24 1ijq s TYR 532 Cb -0.32 0.32 0.00 0.00 0.38 0.00 0.00 41.96 42.34 1ijq s TYR 532 CO 0.33 -1.10 0.63 -1.12 -1.52 0.00 0.00 175.55 172.77 1ijq s SER 533 N -3.02 6.41 0.04 -0.18 0.01 -1.26 -1.05 113.70 114.65 1ijq s SER 533 Ca 0.20 0.10 -0.17 0.00 1.31 0.00 0.00 55.95 57.39 1ijq s SER 533 Cb -0.02 -2.32 -0.27 0.00 0.21 0.00 0.00 66.02 63.62 1ijq s SER 533 CO 0.10 -0.60 1.10 0.25 0.41 0.00 0.00 173.24 174.50 1ijq h LEU 534 N 9.38 0.76 -7.96 2.44 5.85 -1.17 -3.45 115.31 121.16 1ijq h LEU 534 Ca -0.26 -0.80 -0.59 0.00 0.84 0.00 0.00 57.88 57.06 1ijq h LEU 534 Cb 1.11 -0.24 -0.35 0.00 0.37 0.00 0.00 40.66 41.55 1ijq h LEU 534 CO 0.83 1.48 -0.83 -0.69 -0.34 0.00 0.00 178.44 178.89 1ijq s VAL 535 N -3.05 1.52 0.00 1.05 1.01 -0.83 -4.85 120.40 115.26 1ijq s VAL 535 Ca -0.11 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.23 1ijq s VAL 535 Cb 0.05 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 35.02 1ijq s VAL 535 CO 0.89 0.45 0.00 0.35 0.00 0.00 0.00 175.10 176.79 1ijq n THR 536 N 4.41 0.00 -3.67 3.92 -2.24 -1.26 -1.59 114.28 113.85 1ijq n THR 536 Ca -0.18 -0.10 -0.34 0.00 -2.27 0.00 0.00 64.05 61.16 1ijq n THR 536 Cb 0.51 0.55 -0.05 0.00 -2.10 0.00 0.00 70.33 69.24 1ijq n THR 536 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1ijq s GLU 537 N -0.73 3.66 -1.14 -0.78 2.02 -1.26 -4.58 118.70 115.88 1ijq s GLU 537 Ca 0.00 0.01 -0.24 0.00 0.02 0.00 0.00 54.97 54.75 1ijq s GLU 537 Cb 0.00 -2.99 0.01 0.00 0.10 0.00 0.00 34.13 31.25 1ijq s GLU 537 CO 0.00 0.57 0.75 0.09 0.02 0.00 0.00 175.26 176.69 1ijq n ASN 538 N 0.77 -5.00 -3.68 -0.19 3.02 -1.26 -4.98 115.26 103.93 1ijq n ASN 538 Ca -0.08 -1.09 -0.10 0.00 -0.03 0.00 0.00 54.58 53.28 1ijq n ASN 538 Cb 0.52 -2.80 -0.11 0.00 -0.61 0.00 0.00 39.78 36.78 1ijq n ASN 538 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1ijq s ILE 539 N -3.46 -0.25 0.14 2.41 2.07 -1.26 -5.07 121.20 115.78 1ijq s ILE 539 Ca 0.46 0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.83 1ijq s ILE 539 Cb -0.19 -0.60 0.00 0.00 0.13 0.00 0.00 42.46 41.79 1ijq s ILE 539 CO 0.90 0.06 0.00 0.00 -1.91 0.00 0.00 174.94 173.98 1ijq n GLN 540 N 4.70 0.00 -3.20 3.50 1.13 -1.26 -4.46 117.38 117.79 1ijq n GLN 540 Ca -0.17 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.63 1ijq n GLN 540 Cb 0.53 -0.32 -0.06 0.00 0.11 0.00 0.00 30.24 30.49 1ijq n GLN 540 CO 0.00 0.00 0.00 0.91 -1.44 0.00 0.00 177.06 176.53 1ijq n TRP 541 N -3.40 2.97 -2.11 1.08 8.01 -1.26 -4.68 117.44 118.05 1ijq n TRP 541 Ca 0.00 -4.00 -0.43 0.00 -1.31 0.00 0.00 57.50 51.77 1ijq n TRP 541 Cb 0.05 -0.50 -0.03 0.00 -2.01 0.00 0.00 31.31 28.83 1ijq n TRP 541 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1ijq s PRO 542 N -2.69 3.70 0.00 -0.99 0.04 -1.26 -1.03 135.00 132.77 1ijq s PRO 542 Ca 0.43 1.57 0.00 0.00 0.04 0.00 0.00 61.00 63.04 1ijq s PRO 542 Cb 0.22 -4.06 0.00 0.00 0.04 0.00 0.00 34.50 30.70 1ijq s PRO 542 CO -0.08 -1.41 0.00 0.09 0.04 0.00 0.00 177.00 175.64 1ijq n ASN 543 N 8.80 0.00 -4.73 6.66 3.02 -0.58 -4.44 115.26 123.99 1ijq n ASN 543 Ca 0.19 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.40 1ijq n ASN 543 Cb 0.46 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.72 1ijq n ASN 543 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1ijq s GLY 544 N 0.00 2.29 -0.02 7.41 0.00 -0.14 -3.95 107.32 112.92 1ijq s GLY 544 Ca 0.00 0.83 -0.09 0.00 0.00 0.00 0.00 44.72 45.45 1ijq s GLY 544 CO 0.00 1.23 0.20 -1.50 0.00 0.00 0.00 173.10 173.03 1ijq s ILE 545 N -2.06 0.06 0.00 0.90 2.07 -1.26 -1.90 121.20 119.02 1ijq s ILE 545 Ca 0.73 -0.51 -0.10 0.00 -1.41 0.00 0.00 60.65 59.36 1ijq s ILE 545 Cb -0.28 -0.46 0.01 0.00 0.13 0.00 0.00 42.46 41.86 1ijq s ILE 545 CO 0.45 -0.28 0.20 0.28 -1.91 0.00 0.00 174.94 173.69 1ijq s THR 546 N -1.09 0.08 -0.08 4.00 -1.32 -0.19 -4.78 115.64 112.25 1ijq s THR 546 Ca -0.12 -0.63 0.04 0.00 -1.21 0.00 0.00 61.69 59.78 1ijq s THR 546 Cb -0.06 -0.54 -0.00 0.00 -1.51 0.00 0.00 72.50 70.39 1ijq s THR 546 CO 0.02 -0.35 -0.23 -0.22 -2.21 0.00 0.00 174.62 171.64 1ijq s LEU 547 N -1.42 2.03 -0.70 9.08 2.96 -1.26 -1.27 118.68 128.09 1ijq s LEU 547 Ca -0.14 -0.51 -0.17 0.00 -0.22 0.00 0.00 54.13 53.09 1ijq s LEU 547 Cb -0.06 -1.31 0.14 0.00 0.50 0.00 0.00 46.19 45.46 1ijq s LEU 547 CO 0.02 0.16 0.77 -0.62 -1.32 0.00 0.00 176.35 175.36 1ijq s ASP 548 N 0.24 6.39 0.16 3.68 -1.08 0.05 -4.95 116.67 121.17 1ijq s ASP 548 Ca -0.14 -1.87 -0.14 0.00 -0.52 0.00 0.00 52.55 49.87 1ijq s ASP 548 Cb -0.16 -2.29 0.04 0.00 -1.46 0.00 0.00 42.92 39.05 1ijq s ASP 548 CO 0.07 -0.95 1.74 0.25 0.52 0.00 0.00 175.17 176.80 1ijq h LEU 549 N 9.42 0.63 -1.32 -1.34 6.46 -1.89 -1.22 115.31 126.05 1ijq h LEU 549 Ca -0.13 -0.12 -0.05 0.00 -0.12 0.00 0.00 57.88 57.47 1ijq h LEU 549 Cb 1.07 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.82 1ijq h LEU 549 CO 1.01 0.57 -0.04 -0.07 -0.62 0.00 0.00 178.44 179.29 1ijq h LEU 550 N 0.65 0.38 0.00 2.25 3.38 -1.95 -2.64 115.31 117.38 1ijq h LEU 550 Ca 0.17 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ijq h LEU 550 Cb 0.10 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1ijq h LEU 550 CO -0.02 0.47 -0.54 -0.24 0.09 0.00 0.00 178.44 178.21 1ijq n SER 551 N -4.29 0.52 -3.54 -0.43 2.88 -1.13 -4.96 113.62 102.67 1ijq n SER 551 Ca 0.01 -0.20 -0.20 0.00 -1.33 0.00 0.00 58.87 57.15 1ijq n SER 551 Cb 0.24 0.26 0.08 0.00 -0.75 0.00 0.00 64.21 64.04 1ijq n SER 551 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ijq n GLY 552 N 1.47 -0.41 3.03 0.46 0.00 -0.49 -4.94 105.19 104.31 1ijq n GLY 552 Ca 0.05 0.15 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 1ijq n GLY 552 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ijq s ARG 553 N -5.78 1.96 -0.06 1.61 6.06 -0.99 -1.51 118.95 120.23 1ijq s ARG 553 Ca 0.20 -0.47 -0.07 0.00 -2.50 0.00 0.00 55.73 52.88 1ijq s ARG 553 Cb -0.09 -1.68 -0.04 0.00 0.06 0.00 0.00 34.95 33.19 1ijq s ARG 553 CO 0.75 -0.05 0.21 -0.51 -2.50 0.00 0.00 175.30 173.20 1ijq s LEU 554 N 0.95 4.40 -0.02 -0.88 1.43 0.25 -0.77 118.68 124.04 1ijq s LEU 554 Ca -0.08 0.54 0.06 0.00 -1.03 0.00 0.00 54.13 53.62 1ijq s LEU 554 Cb -0.15 -2.33 -0.01 0.00 0.03 0.00 0.00 46.19 43.72 1ijq s LEU 554 CO -0.00 0.35 -0.19 -0.31 0.23 0.00 0.00 176.35 176.42 1ijq s TYR 555 N -1.13 1.77 0.08 0.29 2.02 -0.40 -1.02 117.35 118.96 1ijq s TYR 555 Ca 0.20 -0.38 -0.07 0.00 -0.37 0.00 0.00 57.07 56.46 1ijq s TYR 555 Cb -0.13 -1.15 -0.01 0.00 -0.40 0.00 0.00 41.96 40.27 1ijq s TYR 555 CO 0.10 -0.06 0.14 1.67 -1.57 0.00 0.00 175.55 175.82 1ijq s TRP 556 N -0.35 0.23 0.05 2.71 -2.14 -0.20 -1.02 118.94 118.22 1ijq s TRP 556 Ca 0.05 -0.67 0.05 0.00 2.66 0.00 0.00 56.10 58.18 1ijq s TRP 556 Cb -0.09 -0.13 -0.04 0.00 -3.10 0.00 0.00 33.47 30.11 1ijq s TRP 556 CO -0.00 -0.49 -0.05 0.14 -2.66 0.00 0.00 176.95 173.88 1ijq s VAL 557 N -3.75 3.70 -0.20 -0.66 -7.23 -0.80 -0.98 120.40 110.48 1ijq s VAL 557 Ca 0.04 -0.95 0.01 0.00 -1.81 0.00 0.00 61.98 59.28 1ijq s VAL 557 Cb 0.05 -2.68 0.05 0.00 0.56 0.00 0.00 36.38 34.35 1ijq s VAL 557 CO -0.10 0.25 -0.09 -0.62 -0.31 0.00 0.00 175.10 174.23 1ijq s ASP 558 N -1.85 3.46 0.46 4.85 -1.08 -0.41 -1.53 116.67 120.58 1ijq s ASP 558 Ca 0.21 -0.94 0.26 0.00 -0.52 0.00 0.00 52.55 51.55 1ijq s ASP 558 Cb -0.11 -1.20 1.04 0.00 -1.46 0.00 0.00 42.92 41.19 1ijq s ASP 558 CO 0.12 -0.17 1.88 0.28 0.52 0.00 0.00 175.17 177.80 1ijq h SER 559 N 7.98 0.00 0.26 -0.34 0.02 -1.28 -0.68 113.55 119.51 1ijq h SER 559 Ca -0.25 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.36 1ijq h SER 559 Cb 1.09 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 1ijq h SER 559 CO 0.46 0.19 -1.84 0.50 -1.14 0.00 0.00 176.83 174.99 1ijq h LYS 560 N 0.00 0.22 -0.01 3.45 1.63 -1.92 -3.35 116.57 116.59 1ijq h LYS 560 Ca -0.00 -0.38 0.00 0.00 -0.85 0.00 0.00 60.65 59.42 1ijq h LYS 560 Cb 0.67 0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.44 1ijq h LYS 560 CO 0.02 1.06 -0.17 1.28 -3.45 0.00 0.00 179.45 178.20 1ijq n LEU 561 N -3.40 1.12 -3.63 5.20 4.77 -1.21 -4.96 117.00 114.90 1ijq n LEU 561 Ca -0.25 -0.31 -0.21 0.00 -0.03 0.00 0.00 56.01 55.20 1ijq n LEU 561 Cb 1.05 -0.09 0.04 0.00 -2.33 0.00 0.00 43.42 42.10 1ijq n LEU 561 CO 0.46 0.20 -0.04 1.41 -1.33 0.00 0.00 177.39 178.08 1ijq n HIS 562 N -0.42 -1.99 -4.08 -1.77 8.25 -0.30 -4.76 115.22 110.15 1ijq n HIS 562 Ca 0.14 0.81 -0.09 0.00 -0.26 0.00 0.00 57.72 58.32 1ijq n HIS 562 Cb 0.34 -4.33 -0.09 0.00 1.12 0.00 0.00 29.99 27.03 1ijq n HIS 562 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1ijq s SER 563 N -4.17 0.28 -0.10 0.41 1.04 -0.96 -2.11 113.70 108.08 1ijq s SER 563 Ca 0.10 -1.07 0.02 0.00 0.48 0.00 0.00 55.95 55.48 1ijq s SER 563 Cb -0.02 0.31 0.01 0.00 0.10 0.00 0.00 66.02 66.42 1ijq s SER 563 CO 0.80 -0.74 -0.17 -0.63 0.98 0.00 0.00 173.24 173.48 1ijq s ILE 564 N -4.00 1.59 0.20 -1.02 -1.09 -0.37 -1.29 121.20 115.22 1ijq s ILE 564 Ca 0.19 -0.72 0.03 0.00 -2.23 0.00 0.00 60.65 57.92 1ijq s ILE 564 Cb 0.07 -1.43 -0.05 0.00 -1.58 0.00 0.00 42.46 39.47 1ijq s ILE 564 CO -0.01 0.46 -0.02 -0.44 -1.23 0.00 0.00 174.94 173.70 1ijq s SER 565 N 0.80 1.58 0.04 3.58 0.01 -0.15 -0.73 113.70 118.83 1ijq s SER 565 Ca -0.10 -1.17 -0.00 0.00 1.31 0.00 0.00 55.95 55.99 1ijq s SER 565 Cb -0.16 0.05 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 1ijq s SER 565 CO 0.01 -0.51 -0.03 -0.94 0.41 0.00 0.00 173.24 172.18 1ijq s SER 566 N -3.23 0.43 -0.00 2.44 1.04 -0.23 -1.04 113.70 113.10 1ijq s SER 566 Ca 0.25 -0.75 -0.26 0.00 0.48 0.00 0.00 55.95 55.67 1ijq s SER 566 Cb 0.05 0.14 0.06 0.00 0.10 0.00 0.00 66.02 66.37 1ijq s SER 566 CO 0.06 -0.44 0.58 -0.51 0.98 0.00 0.00 173.24 173.91 1ijq s ILE 567 N -2.65 0.02 0.76 -1.02 2.07 -0.19 -0.76 121.20 119.43 1ijq s ILE 567 Ca -0.04 -0.13 -0.11 0.00 -1.41 0.00 0.00 60.65 58.96 1ijq s ILE 567 Cb -0.01 -0.94 0.04 0.00 0.13 0.00 0.00 42.46 41.68 1ijq s ILE 567 CO -0.05 -0.07 1.08 -1.81 -1.91 0.00 0.00 174.94 172.17 1ijq s ASP 568 N -1.54 4.79 0.11 4.50 1.01 -0.20 -0.58 116.67 124.77 1ijq s ASP 568 Ca -0.09 1.60 0.14 0.00 0.71 0.00 0.00 52.55 54.91 1ijq s ASP 568 Cb -0.01 -2.38 0.63 0.00 1.01 0.00 0.00 42.92 42.17 1ijq s ASP 568 CO 0.04 -1.82 1.43 1.33 0.21 0.00 0.00 175.17 176.36 1ijq n VAL 569 N -3.37 1.24 0.69 -1.27 0.24 -0.57 -1.21 118.33 114.09 1ijq n VAL 569 Ca 0.08 0.40 0.12 0.00 -2.04 0.00 0.00 64.34 62.89 1ijq n VAL 569 Cb 0.54 -1.30 0.23 0.00 -1.47 0.00 0.00 33.84 31.84 1ijq n VAL 569 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1ijq n ASN 570 N -1.80 2.96 0.00 -1.34 0.23 -1.26 -4.95 115.26 109.11 1ijq n ASN 570 Ca 0.01 -1.92 0.00 0.00 -0.53 0.00 0.00 54.58 52.14 1ijq n ASN 570 Cb 0.11 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 1ijq n ASN 570 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1ijq n GLY 571 N 1.39 0.73 3.97 4.83 0.00 -0.35 -5.06 105.19 110.71 1ijq n GLY 571 Ca 0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.98 1ijq n GLY 571 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ijq s GLY 572 N -1.53 1.73 -1.31 -0.02 0.00 -1.26 -4.62 107.32 100.30 1ijq s GLY 572 Ca 0.00 -1.26 -0.02 0.00 0.00 0.00 0.00 44.72 43.44 1ijq s GLY 572 CO 0.00 -1.03 0.63 0.70 0.00 0.00 0.00 173.10 173.40 1ijq n ASN 573 N -2.17 -1.35 -4.76 1.64 3.02 -1.26 -1.03 115.26 109.34 1ijq n ASN 573 Ca 0.05 -0.88 -0.41 0.00 -0.03 0.00 0.00 54.58 53.31 1ijq n ASN 573 Cb 0.59 -3.77 -0.03 0.00 -0.61 0.00 0.00 39.78 35.96 1ijq n ASN 573 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1ijq s ARG 574 N -6.09 4.46 0.02 3.52 3.52 -1.26 -4.43 118.95 118.68 1ijq s ARG 574 Ca 0.05 2.04 0.02 0.00 -0.13 0.00 0.00 55.73 57.71 1ijq s ARG 574 Cb -0.01 -3.14 -0.01 0.00 -1.56 0.00 0.00 34.95 30.23 1ijq s ARG 574 CO 0.83 -0.06 -0.08 0.15 -0.81 0.00 0.00 175.30 175.33 1ijq s LYS 575 N -1.34 0.56 -0.37 5.12 1.02 0.06 -5.00 119.74 119.81 1ijq s LYS 575 Ca 0.49 -0.46 -0.16 0.00 0.02 0.00 0.00 55.97 55.86 1ijq s LYS 575 Cb -0.36 -0.48 -0.00 0.00 -0.52 0.00 0.00 37.83 36.47 1ijq s LYS 575 CO 0.46 0.12 0.38 0.99 -0.92 0.00 0.00 175.35 176.37 1ijq s THR 576 N -0.63 5.15 -0.11 2.17 2.01 -1.26 -1.07 115.64 121.90 1ijq s THR 576 Ca -0.02 -0.10 -0.26 0.00 0.31 0.00 0.00 61.69 61.63 1ijq s THR 576 Cb -0.06 -3.88 -0.23 0.00 0.01 0.00 0.00 72.50 68.35 1ijq s THR 576 CO 0.00 -0.19 0.79 0.40 -0.69 0.00 0.00 174.62 174.93 1ijq h ILE 577 N 5.59 1.54 -3.18 1.82 2.04 -1.22 -3.47 117.51 120.63 1ijq h ILE 577 Ca -0.29 -2.00 -0.18 0.00 1.00 0.00 0.00 64.86 63.39 1ijq h ILE 577 Cb 1.13 2.83 -0.27 0.00 -0.74 0.00 0.00 36.82 39.78 1ijq h ILE 577 CO 0.72 0.49 -0.48 -0.22 0.00 0.00 0.00 178.15 178.67 1ijq s LEU 578 N -8.44 0.99 -0.06 1.44 2.96 -1.06 -3.62 118.68 110.90 1ijq s LEU 578 Ca -0.17 0.44 -0.01 0.00 -0.22 0.00 0.00 54.13 54.18 1ijq s LEU 578 Cb -0.02 0.71 0.03 0.00 0.50 0.00 0.00 46.19 47.41 1ijq s LEU 578 CO 0.62 -0.10 -0.01 -1.61 -1.32 0.00 0.00 176.35 173.94 1ijq s GLU 579 N 0.43 0.59 -0.30 1.98 2.02 -1.26 -1.24 118.70 120.92 1ijq s GLU 579 Ca -0.03 0.07 -0.17 0.00 0.02 0.00 0.00 54.97 54.86 1ijq s GLU 579 Cb -0.04 -0.87 0.19 0.00 0.10 0.00 0.00 34.13 33.51 1ijq s GLU 579 CO -0.02 -0.24 1.17 0.16 0.02 0.00 0.00 175.26 176.35 1ijq s ASP 580 N 1.65 -0.24 0.00 -0.19 3.84 -0.90 -5.03 116.67 115.79 1ijq s ASP 580 Ca -0.00 0.35 0.01 0.00 -0.00 0.00 0.00 52.55 52.91 1ijq s ASP 580 Cb -0.13 1.23 0.06 0.00 -1.38 0.00 0.00 42.92 42.70 1ijq s ASP 580 CO -0.04 -0.05 0.64 -0.62 -0.00 0.00 0.00 175.17 175.10 1ijq n GLU 581 N 4.28 0.59 -0.04 2.11 1.02 -1.26 -2.86 120.64 124.48 1ijq n GLU 581 Ca -0.10 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 56.99 1ijq n GLU 581 Cb 0.55 -1.03 -0.01 0.00 -0.02 0.00 0.00 31.44 30.93 1ijq n GLU 581 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ijq n LYS 582 N -0.53 0.25 0.11 3.49 4.76 -1.26 -4.38 118.16 120.61 1ijq n LYS 582 Ca 0.01 0.10 0.12 0.00 -2.87 0.00 0.00 58.31 55.67 1ijq n LYS 582 Cb 0.00 -0.91 0.12 0.00 -1.84 0.00 0.00 35.03 32.40 1ijq n LYS 582 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ijq h ARG 583 N -0.48 0.00 -1.71 1.97 -0.00 -1.99 -3.25 114.38 108.92 1ijq h ARG 583 Ca 0.00 0.00 -0.69 0.00 -0.50 0.00 0.00 59.98 58.79 1ijq h ARG 583 Cb 0.48 0.00 -0.33 0.00 0.00 0.00 0.00 29.97 30.12 1ijq h ARG 583 CO 0.00 0.00 0.37 1.28 0.00 0.00 0.00 179.97 181.62 1ijq n LEU 584 N -2.55 6.49 -0.22 3.04 4.77 -1.14 -4.77 117.00 122.62 1ijq n LEU 584 Ca 0.02 -4.92 -0.07 0.00 -0.03 0.00 0.00 56.01 51.01 1ijq n LEU 584 Cb 0.50 -0.83 0.04 0.00 -2.33 0.00 0.00 43.42 40.80 1ijq n LEU 584 CO 0.37 1.91 1.05 0.00 -1.33 0.00 0.00 177.39 179.40 1ijq h ALA 585 N 2.75 0.80 0.00 -1.18 0.00 -1.76 -3.40 119.26 116.48 1ijq h ALA 585 Ca 0.47 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 55.05 1ijq h ALA 585 Cb 0.45 -0.25 -0.14 0.00 0.00 0.00 0.00 17.79 17.85 1ijq h ALA 585 CO 1.22 0.34 -0.47 1.58 0.00 0.00 0.00 179.25 181.93 1ijq n HIS 586 N -4.53 -3.19 -1.79 0.00 -0.00 -1.26 -4.93 115.22 99.52 1ijq n HIS 586 Ca 0.04 -1.77 -0.39 0.00 0.46 0.00 0.00 57.72 56.06 1ijq n HIS 586 Cb 0.10 1.56 0.03 0.00 -0.12 0.00 0.00 29.99 31.56 1ijq n HIS 586 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1ijq s PRO 587 N 0.62 3.50 0.00 1.57 0.04 -1.26 -1.67 135.00 137.79 1ijq s PRO 587 Ca 0.30 2.36 0.00 0.00 0.04 0.00 0.00 61.00 63.71 1ijq s PRO 587 Cb 0.24 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1ijq s PRO 587 CO -0.22 -0.95 0.00 1.19 0.04 0.00 0.00 177.00 177.07 1ijq n PHE 588 N -0.48 0.00 -4.19 0.56 3.01 -0.35 -4.35 117.46 111.67 1ijq n PHE 588 Ca 0.07 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.40 1ijq n PHE 588 Cb 0.43 0.07 -0.10 0.00 -0.01 0.00 0.00 39.48 39.86 1ijq n PHE 588 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1ijq s SER 589 N -4.77 1.42 0.12 4.37 0.15 -1.25 -0.96 113.70 112.77 1ijq s SER 589 Ca 0.00 -0.92 -0.10 0.00 0.70 0.00 0.00 55.95 55.63 1ijq s SER 589 Cb 0.00 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.35 1ijq s SER 589 CO 0.00 -0.35 0.26 -1.48 1.20 0.00 0.00 173.24 172.88 1ijq s LEU 590 N -2.81 1.09 0.06 3.45 2.34 -1.26 -1.11 118.68 120.44 1ijq s LEU 590 Ca 0.10 -0.66 -0.10 0.00 0.06 0.00 0.00 54.13 53.53 1ijq s LEU 590 Cb 0.01 1.24 0.01 0.00 -0.56 0.00 0.00 46.19 46.89 1ijq s LEU 590 CO -0.01 -0.81 0.22 0.00 -1.06 0.00 0.00 176.35 174.69 1ijq s ALA 591 N -3.88 -0.39 0.04 1.48 0.00 -0.25 -4.66 121.76 114.10 1ijq s ALA 591 Ca 0.08 -0.34 0.06 0.00 0.00 0.00 0.00 51.96 51.76 1ijq s ALA 591 Cb 0.04 0.38 -0.02 0.00 0.00 0.00 0.00 23.12 23.51 1ijq s ALA 591 CO -0.08 -0.43 -0.18 0.14 0.00 0.00 0.00 175.76 175.21 1ijq s VAL 592 N -3.07 1.46 -0.22 0.00 -7.23 -1.26 -0.21 120.40 109.86 1ijq s VAL 592 Ca -0.01 -1.11 -0.10 0.00 -1.81 0.00 0.00 61.98 58.95 1ijq s VAL 592 Cb 0.01 -1.28 0.08 0.00 0.56 0.00 0.00 36.38 35.75 1ijq s VAL 592 CO -0.07 0.14 0.51 0.12 -0.31 0.00 0.00 175.10 175.50 1ijq s PHE 593 N -0.80 -0.87 0.00 2.82 5.36 -0.63 -4.97 117.98 118.89 1ijq s PHE 593 Ca 0.05 1.70 0.00 0.00 -0.96 0.00 0.00 56.93 57.73 1ijq s PHE 593 Cb -0.08 0.44 0.00 0.00 -0.34 0.00 0.00 43.02 43.04 1ijq s PHE 593 CO 0.02 -0.47 0.00 0.39 -1.46 0.00 0.00 175.22 173.69 1ijq n GLU 594 N 4.74 0.00 -0.16 10.12 1.02 -1.26 -1.14 120.64 133.96 1ijq n GLU 594 Ca -0.17 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.09 1ijq n GLU 594 Cb 0.54 0.00 0.24 0.00 -0.02 0.00 0.00 31.44 32.20 1ijq n GLU 594 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1ijq n ASP 595 N 6.13 3.08 -4.63 1.62 5.75 -1.26 -4.94 116.55 122.30 1ijq n ASP 595 Ca 0.00 -1.94 -0.26 0.00 -0.01 0.00 0.00 54.79 52.58 1ijq n ASP 595 Cb 0.00 -0.21 -0.08 0.00 -1.03 0.00 0.00 41.12 39.79 1ijq n ASP 595 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1ijq s LYS 596 N -1.57 2.27 -0.03 0.11 -0.14 -0.30 -1.09 119.74 118.99 1ijq s LYS 596 Ca 0.37 -1.21 0.06 0.00 -1.36 0.00 0.00 55.97 53.83 1ijq s LYS 596 Cb 0.22 -2.26 -0.02 0.00 -1.68 0.00 0.00 37.83 34.09 1ijq s LYS 596 CO 0.30 0.43 -0.22 0.54 -0.76 0.00 0.00 175.35 175.65 1ijq s VAL 597 N -1.81 2.41 0.03 3.17 0.11 0.10 -1.60 120.40 122.82 1ijq s VAL 597 Ca 0.27 -0.97 0.08 0.00 -2.93 0.00 0.00 61.98 58.44 1ijq s VAL 597 Cb -0.09 -1.88 -0.03 0.00 -1.53 0.00 0.00 36.38 32.86 1ijq s VAL 597 CO 0.18 0.58 -0.25 -0.36 -3.33 0.00 0.00 175.10 171.92 1ijq s PHE 598 N -0.62 2.17 0.08 1.54 0.40 0.71 -0.69 117.98 121.57 1ijq s PHE 598 Ca 0.10 -0.40 -0.10 0.00 -0.60 0.00 0.00 56.93 55.92 1ijq s PHE 598 Cb -0.10 -1.31 0.00 0.00 0.51 0.00 0.00 43.02 42.12 1ijq s PHE 598 CO -0.00 0.09 0.22 1.67 0.70 0.00 0.00 175.22 177.90 1ijq s TRP 599 N -0.76 0.08 0.09 0.36 -2.14 -0.12 -1.09 118.94 115.36 1ijq s TRP 599 Ca 0.10 -0.46 0.02 0.00 2.66 0.00 0.00 56.10 58.43 1ijq s TRP 599 Cb -0.10 -0.01 -0.04 0.00 -3.10 0.00 0.00 33.47 30.23 1ijq s TRP 599 CO 0.01 -0.55 0.15 0.95 -2.66 0.00 0.00 176.95 174.86 1ijq s THR 600 N -3.61 4.90 -0.07 0.66 -4.23 -0.27 -1.34 115.64 111.68 1ijq s THR 600 Ca 0.03 -0.67 -0.00 0.00 -1.18 0.00 0.00 61.69 59.86 1ijq s THR 600 Cb 0.03 -3.41 0.03 0.00 1.34 0.00 0.00 72.50 70.49 1ijq s THR 600 CO -0.10 0.08 -0.02 -0.62 -0.54 0.00 0.00 174.62 173.42 1ijq s ASP 601 N -2.61 1.42 0.00 3.99 -1.08 -0.17 -1.21 116.67 117.01 1ijq s ASP 601 Ca 0.32 -0.12 0.28 0.00 -0.52 0.00 0.00 52.55 52.51 1ijq s ASP 601 Cb -0.12 -0.48 1.06 0.00 -1.46 0.00 0.00 42.92 41.92 1ijq s ASP 601 CO 0.25 -0.14 1.76 2.30 0.52 0.00 0.00 175.17 179.86 1ijq n ILE 602 N 4.75 0.00 -0.05 4.11 -5.35 -0.67 -1.15 119.36 121.00 1ijq n ILE 602 Ca -0.14 -0.06 -0.22 0.00 -0.27 0.00 0.00 62.75 62.07 1ijq n ILE 602 Cb 0.50 -0.01 -0.13 0.00 -1.74 0.00 0.00 39.64 38.27 1ijq n ILE 602 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 1ijq n ILE 603 N -1.02 1.66 0.62 7.28 2.08 -1.26 -4.22 119.36 124.51 1ijq n ILE 603 Ca 0.12 -0.50 0.13 0.00 0.56 0.00 0.00 62.75 63.06 1ijq n ILE 603 Cb 0.30 -1.75 0.37 0.00 -0.75 0.00 0.00 39.64 37.82 1ijq n ILE 603 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1ijq n ASN 604 N -3.68 0.81 -3.65 4.38 3.02 -1.24 -4.94 115.26 109.95 1ijq n ASN 604 Ca -0.36 0.52 -0.22 0.00 -0.03 0.00 0.00 54.58 54.49 1ijq n ASN 604 Cb 0.95 -0.68 0.04 0.00 -0.61 0.00 0.00 39.78 39.48 1ijq n ASN 604 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1ijq n GLU 605 N -2.25 -4.07 -3.99 3.52 1.02 -0.30 -4.67 120.64 109.90 1ijq n GLU 605 Ca 0.05 0.62 -0.11 0.00 -0.02 0.00 0.00 57.16 57.70 1ijq n GLU 605 Cb 0.43 -5.08 -0.03 0.00 -0.02 0.00 0.00 31.44 26.74 1ijq n GLU 605 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ijq s ALA 606 N -3.61 -0.05 -0.08 0.62 0.00 -1.00 -1.72 121.76 115.92 1ijq s ALA 606 Ca 0.12 -1.04 0.04 0.00 0.00 0.00 0.00 51.96 51.09 1ijq s ALA 606 Cb -0.03 1.02 -0.00 0.00 0.00 0.00 0.00 23.12 24.10 1ijq s ALA 606 CO 0.81 -0.87 -0.22 0.42 0.00 0.00 0.00 175.76 175.90 1ijq s ILE 607 N -3.39 1.87 0.34 0.00 1.01 -0.42 -1.00 121.20 119.61 1ijq s ILE 607 Ca 0.23 -0.93 0.06 0.00 0.00 0.00 0.00 60.65 60.01 1ijq s ILE 607 Cb -0.02 -1.62 -0.07 0.00 0.01 0.00 0.00 42.46 40.77 1ijq s ILE 607 CO 0.13 0.52 -0.01 -0.36 0.00 0.00 0.00 174.94 175.22 1ijq s PHE 608 N 0.21 2.17 0.07 3.97 0.08 -0.45 -0.44 117.98 123.58 1ijq s PHE 608 Ca -0.13 -0.75 0.00 0.00 0.12 0.00 0.00 56.93 56.18 1ijq s PHE 608 Cb -0.16 -1.38 -0.04 0.00 -0.57 0.00 0.00 43.02 40.87 1ijq s PHE 608 CO 0.06 0.28 -0.05 -1.54 -0.10 0.00 0.00 175.22 173.87 1ijq s SER 609 N -3.55 0.76 0.25 1.36 1.04 -0.37 -0.94 113.70 112.25 1ijq s SER 609 Ca 0.34 -0.93 -0.22 0.00 0.48 0.00 0.00 55.95 55.62 1ijq s SER 609 Cb 0.07 0.14 0.03 0.00 0.10 0.00 0.00 66.02 66.36 1ijq s SER 609 CO 0.15 -0.49 0.75 0.00 0.98 0.00 0.00 173.24 174.63 1ijq s ALA 610 N -3.42 -1.32 0.13 5.32 0.00 0.13 -1.25 121.76 121.35 1ijq s ALA 610 Ca 0.06 -0.17 -0.31 0.00 0.00 0.00 0.00 51.96 51.54 1ijq s ALA 610 Cb 0.04 0.81 -0.10 0.00 0.00 0.00 0.00 23.12 23.88 1ijq s ALA 610 CO -0.06 -1.02 1.65 1.21 0.00 0.00 0.00 175.76 177.54 1ijq s ASN 611 N -2.91 6.55 0.00 0.00 3.84 -0.48 0.01 114.94 121.96 1ijq s ASN 611 Ca 0.10 2.61 0.23 0.00 0.21 0.00 0.00 52.86 56.01 1ijq s ASN 611 Cb -0.05 -2.58 1.00 0.00 -0.55 0.00 0.00 41.25 39.07 1ijq s ASN 611 CO 0.05 -0.89 1.73 -2.11 -2.79 0.00 0.00 177.10 173.09 1ijq n ARG 612 N 4.84 0.03 -0.13 0.43 1.85 -0.25 -0.42 116.66 123.02 1ijq n ARG 612 Ca 0.15 0.10 -0.27 0.00 -1.00 0.00 0.00 57.85 56.84 1ijq n ARG 612 Cb 0.39 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.21 1ijq n ARG 612 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1ijq n LEU 613 N -1.48 1.95 -0.02 2.89 4.77 -1.26 -4.75 117.00 119.10 1ijq n LEU 613 Ca 0.06 0.34 0.08 0.00 -0.03 0.00 0.00 56.01 56.45 1ijq n LEU 613 Cb 0.26 -0.81 -0.16 0.00 -2.33 0.00 0.00 43.42 40.38 1ijq n LEU 613 CO 0.21 0.45 -0.78 0.35 -1.33 0.00 0.00 177.39 176.29 1ijq n THR 614 N -4.28 0.27 -1.00 -5.08 -2.24 -1.24 -4.74 114.28 95.96 1ijq n THR 614 Ca -0.49 -0.56 -0.00 0.00 -2.27 0.00 0.00 64.05 60.73 1ijq n THR 614 Cb 0.83 -0.10 -0.00 0.00 -2.10 0.00 0.00 70.33 68.97 1ijq n THR 614 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ijq n GLY 615 N 1.34 0.49 3.93 3.38 0.00 0.44 -4.73 105.19 110.03 1ijq n GLY 615 Ca -0.09 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 1ijq n GLY 615 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ijq s SER 616 N -2.05 3.87 -1.15 1.61 1.04 -1.26 -4.54 113.70 111.21 1ijq s SER 616 Ca 0.00 0.36 -0.04 0.00 0.48 0.00 0.00 55.95 56.75 1ijq s SER 616 Cb 0.00 -0.64 -0.03 0.00 0.10 0.00 0.00 66.02 65.45 1ijq s SER 616 CO 0.00 -2.25 0.91 -0.67 0.98 0.00 0.00 173.24 172.21 1ijq n ASP 617 N -3.42 -3.88 -4.70 7.02 2.03 -1.26 -1.38 116.55 110.96 1ijq n ASP 617 Ca 0.12 -0.71 -0.42 0.00 0.52 0.00 0.00 54.79 54.30 1ijq n ASP 617 Cb 0.60 -4.89 -0.03 0.00 -0.72 0.00 0.00 41.12 36.08 1ijq n ASP 617 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1ijq s VAL 618 N -3.42 3.62 -0.01 5.18 1.01 -1.26 -4.44 120.40 121.08 1ijq s VAL 618 Ca 0.21 1.06 0.06 0.00 0.00 0.00 0.00 61.98 63.31 1ijq s VAL 618 Cb -0.03 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.65 1ijq s VAL 618 CO 0.75 0.02 -0.19 0.20 0.00 0.00 0.00 175.10 175.89 1ijq s ASN 619 N 1.68 2.21 -0.17 3.32 -0.87 -0.38 -4.97 114.94 115.76 1ijq s ASN 619 Ca 0.64 -0.35 -0.22 0.00 -1.57 0.00 0.00 52.86 51.36 1ijq s ASN 619 Cb -0.33 -0.24 -0.02 0.00 -0.02 0.00 0.00 41.25 40.63 1ijq s ASN 619 CO 0.28 0.23 0.68 -0.22 -2.57 0.00 0.00 177.10 175.49 1ijq s LEU 620 N -0.47 4.17 -0.19 0.60 2.96 -1.26 -1.24 118.68 123.26 1ijq s LEU 620 Ca 0.07 0.95 0.08 0.00 -0.22 0.00 0.00 54.13 55.01 1ijq s LEU 620 Cb -0.07 -2.98 -0.17 0.00 0.50 0.00 0.00 46.19 43.47 1ijq s LEU 620 CO -0.01 -0.28 -0.07 0.18 -1.32 0.00 0.00 176.35 174.86 1ijq n LEU 621 N 4.90 1.60 -3.71 -0.68 4.77 0.41 -4.99 117.00 119.32 1ijq n LEU 621 Ca -0.00 -0.06 -0.14 0.00 -0.03 0.00 0.00 56.01 55.78 1ijq n LEU 621 Cb 0.50 -0.21 -0.08 0.00 -2.33 0.00 0.00 43.42 41.30 1ijq n LEU 621 CO 0.45 0.64 0.13 0.00 -1.33 0.00 0.00 177.39 177.28 1ijq s ALA 622 N -2.41 -1.05 0.27 -1.18 0.00 -1.08 -4.97 121.76 111.34 1ijq s ALA 622 Ca -0.19 0.79 -0.02 0.00 0.00 0.00 0.00 51.96 52.54 1ijq s ALA 622 Cb 0.06 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 1ijq s ALA 622 CO 0.57 -0.26 0.32 -1.83 0.00 0.00 0.00 175.76 174.56 1ijq s GLU 623 N -0.82 1.57 -1.28 0.00 -1.05 -1.26 -1.30 118.70 114.56 1ijq s GLU 623 Ca -0.09 -1.66 -0.08 0.00 -0.15 0.00 0.00 54.97 52.99 1ijq s GLU 623 Cb -0.04 0.37 0.01 0.00 -0.44 0.00 0.00 34.13 34.03 1ijq s GLU 623 CO 0.04 -0.60 1.12 -1.71 0.95 0.00 0.00 175.26 175.06 1ijq n ASN 624 N -0.83 -5.92 -4.87 0.83 2.85 -0.96 -4.96 115.26 101.40 1ijq n ASN 624 Ca 0.02 -0.52 -0.31 0.00 -0.11 0.00 0.00 54.58 53.67 1ijq n ASN 624 Cb 0.63 -4.81 -0.03 0.00 1.24 0.00 0.00 39.78 36.81 1ijq n ASN 624 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1ijq s LEU 625 N -6.94 3.79 -0.06 1.20 1.43 -0.70 -5.02 118.68 112.37 1ijq s LEU 625 Ca 0.52 1.21 -0.24 0.00 -1.03 0.00 0.00 54.13 54.60 1ijq s LEU 625 Cb -0.23 -4.11 -0.26 0.00 0.03 0.00 0.00 46.19 41.62 1ijq s LEU 625 CO 0.69 -0.44 0.95 -0.07 0.23 0.00 0.00 176.35 177.71 1ijq h LEU 626 N 1.18 0.30 -5.00 1.79 3.38 -1.88 -3.45 115.31 111.62 1ijq h LEU 626 Ca -0.47 -0.87 -0.08 0.00 0.09 0.00 0.00 57.88 56.55 1ijq h LEU 626 Cb 1.19 -0.09 -0.14 0.00 0.09 0.00 0.00 40.66 41.70 1ijq h LEU 626 CO 0.63 1.14 -0.17 -0.24 0.09 0.00 0.00 178.44 179.89 1ijq n SER 627 N -4.37 -1.75 -4.00 -0.43 2.88 -1.26 -4.99 113.62 99.69 1ijq n SER 627 Ca -0.11 -1.93 -0.40 0.00 -1.33 0.00 0.00 58.87 55.10 1ijq n SER 627 Cb 0.62 0.98 -0.03 0.00 -0.75 0.00 0.00 64.21 65.02 1ijq n SER 627 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1ijq n PRO 628 N 1.88 2.12 0.11 -1.46 -0.04 -1.25 -4.34 135.00 132.02 1ijq n PRO 628 Ca 0.06 -2.39 0.02 0.00 -0.04 0.00 0.00 63.50 61.15 1ijq n PRO 628 Cb 0.67 -3.27 -0.00 0.00 -0.04 0.00 0.00 33.50 30.86 1ijq n PRO 628 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1ijq h GLU 629 N 7.76 0.00 -3.31 0.54 5.08 -1.87 -3.42 114.58 119.36 1ijq h GLU 629 Ca 0.42 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.63 1ijq h GLU 629 Cb 0.75 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 29.78 1ijq h GLU 629 CO 1.71 0.42 -0.44 0.34 -1.00 0.00 0.00 179.01 180.05 1ijq s ASP 630 N -6.25 -0.10 -0.06 1.42 2.15 -1.26 -4.34 116.67 108.23 1ijq s ASP 630 Ca 0.02 0.07 -0.14 0.00 0.43 0.00 0.00 52.55 52.92 1ijq s ASP 630 Cb 0.08 0.31 0.03 0.00 -0.30 0.00 0.00 42.92 43.04 1ijq s ASP 630 CO 0.76 -0.29 0.34 -0.32 -0.17 0.00 0.00 175.17 175.49 1ijq s MET 631 N -0.88 0.58 0.06 4.34 -2.45 -1.26 -0.84 119.30 118.85 1ijq s MET 631 Ca -0.10 0.08 0.01 0.00 -1.25 0.00 0.00 55.69 54.44 1ijq s MET 631 Cb -0.05 0.27 -0.03 0.00 1.25 0.00 0.00 34.83 36.26 1ijq s MET 631 CO 0.02 -0.14 -0.06 0.14 1.05 0.00 0.00 175.02 176.03 1ijq s VAL 632 N -0.75 0.51 -0.20 10.11 -7.23 -0.15 -4.64 120.40 118.05 1ijq s VAL 632 Ca -0.08 -1.43 -0.19 0.00 -1.81 0.00 0.00 61.98 58.46 1ijq s VAL 632 Cb -0.04 -1.03 -0.03 0.00 0.56 0.00 0.00 36.38 35.84 1ijq s VAL 632 CO 0.03 -0.63 0.56 -0.22 -0.31 0.00 0.00 175.10 174.53 1ijq s LEU 633 N -2.20 4.14 -0.42 1.32 2.96 -1.26 -0.88 118.68 122.33 1ijq s LEU 633 Ca -0.01 0.73 -0.14 0.00 -0.22 0.00 0.00 54.13 54.48 1ijq s LEU 633 Cb -0.03 -2.77 0.04 0.00 0.50 0.00 0.00 46.19 43.93 1ijq s LEU 633 CO -0.03 -0.22 0.31 0.12 -1.32 0.00 0.00 176.35 175.22 1ijq s PHE 634 N 1.75 3.25 -0.10 5.38 5.36 0.65 -4.95 117.98 129.33 1ijq s PHE 634 Ca 0.26 -0.81 -0.30 0.00 -0.96 0.00 0.00 56.93 55.12 1ijq s PHE 634 Cb -0.16 -2.75 0.07 0.00 -0.34 0.00 0.00 43.02 39.85 1ijq s PHE 634 CO 0.10 -0.67 0.71 -1.58 -1.46 0.00 0.00 175.22 172.32 1ijq s HIS 635 N 1.63 -0.66 -0.59 10.12 2.46 -1.26 -1.80 115.29 125.19 1ijq s HIS 635 Ca 0.04 1.22 0.22 0.00 0.47 0.00 0.00 55.06 57.02 1ijq s HIS 635 Cb -0.21 0.39 0.92 0.00 -0.13 0.00 0.00 32.58 33.55 1ijq s HIS 635 CO 0.08 -0.55 1.68 0.09 -2.47 0.00 0.00 174.74 173.57 1ijq n ASN 636 N 1.20 0.57 -0.02 9.88 3.02 -1.26 -2.37 115.26 126.27 1ijq n ASN 636 Ca -0.17 0.63 0.13 0.00 -0.03 0.00 0.00 54.58 55.14 1ijq n ASN 636 Cb 0.57 -0.75 0.50 0.00 -0.61 0.00 0.00 39.78 39.48 1ijq n ASN 636 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1ijq n LEU 637 N -2.12 0.27 0.18 3.41 4.77 -1.26 -3.29 117.00 118.95 1ijq n LEU 637 Ca 0.03 0.22 0.05 0.00 -0.03 0.00 0.00 56.01 56.28 1ijq n LEU 637 Cb 0.24 -0.35 0.27 0.00 -2.33 0.00 0.00 43.42 41.25 1ijq n LEU 637 CO 0.20 0.06 0.63 0.71 -1.33 0.00 0.00 177.39 177.66 1ijq h THR 638 N 0.12 0.90 -3.16 -5.08 1.35 -1.84 -3.38 112.91 101.83 1ijq h THR 638 Ca 0.00 -1.70 -0.63 0.00 -0.55 0.00 0.00 66.41 63.54 1ijq h THR 638 Cb 0.47 2.04 -0.41 0.00 -1.73 0.00 0.00 68.15 68.51 1ijq h THR 638 CO 0.00 0.41 -0.61 -1.10 -0.25 0.00 0.00 175.52 173.97 1ijq s GLN 639 N -3.47 2.21 0.60 4.72 -0.21 -1.21 -4.85 119.66 117.45 1ijq s GLN 639 Ca 0.01 -3.01 -0.19 0.00 0.02 0.00 0.00 55.36 52.18 1ijq s GLN 639 Cb 0.10 -3.29 -0.04 0.00 1.00 0.00 0.00 33.01 30.79 1ijq s GLN 639 CO 0.70 -1.22 1.16 -2.30 -2.12 0.00 0.00 175.29 171.51 1ijq n PRO 640 N 2.45 1.15 -2.07 2.91 -0.02 -1.26 -4.96 135.00 133.19 1ijq n PRO 640 Ca 0.14 0.44 -0.34 0.00 -2.02 0.00 0.00 63.50 61.72 1ijq n PRO 640 Cb 0.34 -2.38 0.02 0.00 -0.02 0.00 0.00 33.50 31.47 1ijq n PRO 640 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1ijq s ARG 641 N -2.98 3.13 0.23 -0.52 3.52 -1.26 -4.97 118.95 116.11 1ijq s ARG 641 Ca 0.77 1.56 -0.21 0.00 -0.13 0.00 0.00 55.73 57.72 1ijq s ARG 641 Cb -0.41 -1.98 0.06 0.00 -1.56 0.00 0.00 34.95 31.07 1ijq s ARG 641 CO 0.45 -1.02 0.94 0.20 -0.81 0.00 0.00 175.30 175.06 1ijq s GLY 642 N -2.01 0.08 -0.00 8.12 0.00 -1.26 -5.06 107.32 107.18 1ijq s GLY 642 Ca 0.71 -0.33 -0.30 0.00 0.00 0.00 0.00 44.72 44.81 1ijq s GLY 642 CO 0.32 1.00 1.01 0.14 0.00 0.00 0.00 173.10 175.58 1ijq s VAL 643 N -2.58 4.74 -0.55 1.40 1.01 -1.26 -4.99 120.40 118.17 1ijq s VAL 643 Ca 0.17 1.97 -0.25 0.00 0.00 0.00 0.00 61.98 63.88 1ijq s VAL 643 Cb -0.03 -4.26 0.04 0.00 0.00 0.00 0.00 36.38 32.12 1ijq s VAL 643 CO 0.06 0.14 0.96 0.21 0.00 0.00 0.00 175.10 176.47 1ijq s ASN 644 N 1.03 6.36 0.48 3.32 3.84 -1.26 -4.90 114.94 123.82 1ijq s ASN 644 Ca 0.53 -0.27 0.26 0.00 0.21 0.00 0.00 52.86 53.59 1ijq s ASN 644 Cb -0.22 -2.45 1.18 0.00 -0.55 0.00 0.00 41.25 39.22 1ijq s ASN 644 CO 0.27 -1.24 1.94 -0.50 -2.79 0.00 0.00 177.10 174.78 1ijq h TRP 645 N 9.31 0.00 0.00 0.43 4.06 -1.93 -0.90 115.95 126.93 1ijq h TRP 645 Ca -0.26 0.00 -0.06 0.00 2.06 0.00 0.00 58.89 60.63 1ijq h TRP 645 Cb 1.07 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 1ijq h TRP 645 CO 0.92 0.17 -0.46 0.00 -3.56 0.00 0.00 178.44 175.51 1ijq n GLU 647 N -3.09 0.90 -0.15 0.00 -0.58 -0.96 -0.88 120.64 115.87 1ijq n GLU 647 Ca 0.01 -2.20 -0.01 0.00 -0.42 0.00 0.00 57.16 54.54 1ijq n GLU 647 Cb 0.65 -1.16 0.23 0.00 -0.57 0.00 0.00 31.44 30.59 1ijq n GLU 647 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1ijq h ARG 648 N 0.17 0.86 0.00 3.49 2.43 -1.32 -3.44 114.38 116.57 1ijq h ARG 648 Ca -0.01 -0.12 -0.43 0.00 -0.81 0.00 0.00 59.98 58.62 1ijq h ARG 648 Cb 1.16 -0.16 -0.06 0.00 -0.42 0.00 0.00 29.97 30.49 1ijq h ARG 648 CO 0.01 0.68 -0.26 0.25 -1.51 0.00 0.00 179.97 179.13 1ijq n THR 649 N -4.35 0.00 0.63 0.20 -2.24 -1.26 -5.03 114.28 102.24 1ijq n THR 649 Ca 0.05 -1.57 0.09 0.00 -2.27 0.00 0.00 64.05 60.36 1ijq n THR 649 Cb 0.14 0.09 0.41 0.00 -2.10 0.00 0.00 70.33 68.86 1ijq n THR 649 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ijq n THR 650 N -1.11 0.71 -2.27 4.28 -2.24 -1.26 -4.57 114.28 107.82 1ijq n THR 650 Ca -0.08 0.17 -0.43 0.00 -2.27 0.00 0.00 64.05 61.44 1ijq n THR 650 Cb 0.43 -0.87 -0.02 0.00 -2.10 0.00 0.00 70.33 67.77 1ijq n THR 650 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ijq s LEU 651 N -3.13 3.73 0.17 3.22 2.96 -1.26 -4.96 118.68 119.41 1ijq s LEU 651 Ca 0.09 1.18 -0.31 0.00 -0.22 0.00 0.00 54.13 54.87 1ijq s LEU 651 Cb 0.12 -3.54 -0.09 0.00 0.50 0.00 0.00 46.19 43.19 1ijq s LEU 651 CO 0.35 -1.32 1.41 -0.55 -1.32 0.00 0.00 176.35 174.92 1ijq s SER 652 N 3.92 6.77 -1.50 3.68 0.15 -1.26 -3.78 113.70 121.69 1ijq s SER 652 Ca 0.64 2.45 -0.06 0.00 0.70 0.00 0.00 55.95 59.68 1ijq s SER 652 Cb -0.18 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.55 1ijq s SER 652 CO 0.29 -0.66 0.61 -3.20 1.20 0.00 0.00 173.24 171.48 1ijq n ASN 653 N 3.36 -5.65 -0.01 5.45 5.15 -1.01 -1.17 115.26 121.38 1ijq n ASN 653 Ca 0.10 -0.32 -0.00 0.00 -0.60 0.00 0.00 54.58 53.76 1ijq n ASN 653 Cb 0.41 -4.58 -0.00 0.00 -0.53 0.00 0.00 39.78 35.09 1ijq n ASN 653 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ijq n GLY 654 N -1.47 0.11 2.54 8.20 0.00 -0.06 -1.08 105.19 113.43 1ijq n GLY 654 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1ijq n GLY 654 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ijq n GLY 655 N 0.15 0.91 3.75 -0.02 0.00 -0.32 -5.02 105.19 104.63 1ijq n GLY 655 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1ijq n GLY 655 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ijq h GLN 657 N 4.50 0.94 0.00 0.00 4.15 -1.57 -3.45 115.11 119.68 1ijq h GLN 657 Ca -0.46 -0.49 0.00 0.00 0.77 0.00 0.00 58.65 58.48 1ijq h GLN 657 Cb 1.21 0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1ijq h GLN 657 CO 0.70 1.14 0.00 0.98 -1.93 0.00 0.00 178.83 179.73 1ijq n TYR 658 N -4.06 0.00 -3.92 3.99 9.36 -1.26 -5.06 117.16 116.22 1ijq n TYR 658 Ca -0.02 0.00 -0.33 0.00 3.32 0.00 0.00 57.90 60.87 1ijq n TYR 658 Cb 0.54 0.00 -0.05 0.00 -0.63 0.00 0.00 39.34 39.20 1ijq n TYR 658 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 1ijq s LEU 659 N 0.00 4.35 -0.25 2.98 1.43 -0.78 -4.97 118.68 121.43 1ijq s LEU 659 Ca 0.00 0.32 0.01 0.00 -1.03 0.00 0.00 54.13 53.43 1ijq s LEU 659 Cb 0.00 -2.69 0.05 0.00 0.03 0.00 0.00 46.19 43.58 1ijq s LEU 659 CO 0.00 0.24 -0.10 0.00 0.23 0.00 0.00 176.35 176.71 1ijq s LEU 661 N 1.19 2.49 0.46 0.00 1.43 -0.30 -4.97 118.68 118.98 1ijq s LEU 661 Ca -0.04 -0.31 -0.24 0.00 -1.03 0.00 0.00 54.13 52.50 1ijq s LEU 661 Cb -0.18 -1.48 -0.07 0.00 0.03 0.00 0.00 46.19 44.49 1ijq s LEU 661 CO -0.06 0.33 1.32 -2.84 0.23 0.00 0.00 176.35 175.33 1ijq s PRO 662 N -0.75 3.67 0.07 1.29 0.02 -1.26 -0.96 135.00 137.07 1ijq s PRO 662 Ca 0.11 2.18 0.02 0.00 0.02 0.00 0.00 61.00 63.33 1ijq s PRO 662 Cb -0.10 -2.56 -0.04 0.00 0.02 0.00 0.00 34.50 31.82 1ijq s PRO 662 CO 0.00 -0.75 0.10 0.00 -0.33 0.00 0.00 177.00 176.03 1ijq s ALA 663 N -1.30 3.65 0.20 -1.55 0.00 -0.54 -2.33 121.76 119.88 1ijq s ALA 663 Ca 0.62 -0.97 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 1ijq s ALA 663 Cb -0.38 -1.52 -0.09 0.00 0.00 0.00 0.00 23.12 21.13 1ijq s ALA 663 CO 0.48 0.76 1.27 -1.25 0.00 0.00 0.00 175.76 177.03 1ijq s PRO 664 N -2.36 4.42 -0.92 0.00 0.04 -1.17 -4.28 135.00 130.73 1ijq s PRO 664 Ca 0.30 2.00 -0.19 0.00 0.04 0.00 0.00 61.00 63.15 1ijq s PRO 664 Cb -0.12 -3.20 0.13 0.00 0.04 0.00 0.00 34.50 31.34 1ijq s PRO 664 CO 0.23 -0.20 1.13 -0.65 0.04 0.00 0.00 177.00 177.55 1ijq s GLN 665 N -0.21 3.58 -0.27 4.56 -1.52 -0.11 -4.76 119.66 120.93 1ijq s GLN 665 Ca 0.55 -1.71 -0.06 0.00 -1.95 0.00 0.00 55.36 52.19 1ijq s GLN 665 Cb -0.35 -4.92 -0.14 0.00 -0.22 0.00 0.00 33.01 27.38 1ijq s GLN 665 CO 0.38 -1.79 -0.29 -0.89 -0.25 0.00 0.00 175.29 172.45 1ijq n ILE 666 N 5.57 1.50 -4.03 1.08 5.41 -1.26 -5.03 119.36 122.59 1ijq n ILE 666 Ca 0.23 -0.48 -0.14 0.00 1.00 0.00 0.00 62.75 63.37 1ijq n ILE 666 Cb 0.49 -1.65 -0.03 0.00 -0.71 0.00 0.00 39.64 37.75 1ijq n ILE 666 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1ijq n ASN 667 N -3.75 -1.32 0.22 4.38 0.23 -1.26 -5.03 115.26 108.73 1ijq n ASN 667 Ca -0.50 -2.81 0.15 0.00 -0.53 0.00 0.00 54.58 50.89 1ijq n ASN 667 Cb 0.94 2.46 0.77 0.00 -2.08 0.00 0.00 39.78 41.87 1ijq n ASN 667 CO 0.00 0.00 0.00 -0.65 -0.93 0.00 0.00 177.26 175.68 1ijq h PRO 668 N 0.00 0.00 -0.02 -0.53 0.11 -2.01 -1.89 132.00 127.66 1ijq h PRO 668 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1ijq h PRO 668 Cb 1.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1ijq h PRO 668 CO 0.35 0.00 -0.13 0.72 -0.21 0.00 0.00 178.00 178.74 1ijq n HIS 669 N -2.59 0.00 -1.95 0.65 8.25 -1.26 -4.96 115.22 113.35 1ijq n HIS 669 Ca -0.01 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.04 1ijq n HIS 669 Cb 0.11 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 1ijq n HIS 669 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1ijq s SER 670 N -2.15 6.57 0.86 0.41 0.01 -0.71 -5.02 113.70 113.68 1ijq s SER 670 Ca 0.27 2.79 -0.13 0.00 1.31 0.00 0.00 55.95 60.19 1ijq s SER 670 Cb 0.20 -2.64 0.12 0.00 0.21 0.00 0.00 66.02 63.91 1ijq s SER 670 CO 0.38 -0.74 1.23 -2.16 0.41 0.00 0.00 173.24 172.36 1ijq s PRO 671 N -0.95 1.50 0.12 12.44 0.04 -1.26 -4.98 135.00 141.90 1ijq s PRO 671 Ca 0.57 -0.09 0.21 0.00 0.04 0.00 0.00 61.00 61.73 1ijq s PRO 671 Cb -0.43 -1.92 -0.09 0.00 0.04 0.00 0.00 34.50 32.10 1ijq s PRO 671 CO 0.49 -1.88 0.88 1.63 0.04 0.00 0.00 177.00 178.17 1ijq n LYS 672 N -3.47 0.62 -3.61 4.56 4.76 -1.26 -4.59 118.16 115.16 1ijq n LYS 672 Ca 0.11 0.11 -0.10 0.00 -2.87 0.00 0.00 58.31 55.56 1ijq n LYS 672 Cb 0.60 -1.78 -0.03 0.00 -1.84 0.00 0.00 35.03 31.99 1ijq n LYS 672 CO 0.00 0.00 0.00 -0.59 -1.37 0.00 0.00 177.40 175.44 1ijq s PHE 673 N -3.23 -0.33 0.06 2.13 -0.12 -1.26 -1.47 117.98 113.76 1ijq s PHE 673 Ca -0.02 0.03 0.01 0.00 -0.05 0.00 0.00 56.93 56.90 1ijq s PHE 673 Cb 0.10 0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 42.98 1ijq s PHE 673 CO 0.81 -0.94 -0.06 0.95 -0.05 0.00 0.00 175.22 175.93 1ijq s THR 674 N -3.82 0.45 0.32 -4.49 -4.23 -0.14 -4.78 115.64 98.95 1ijq s THR 674 Ca 0.05 -1.47 -0.16 0.00 -1.18 0.00 0.00 61.69 58.93 1ijq s THR 674 Cb -0.02 -1.08 -0.09 0.00 1.34 0.00 0.00 72.50 72.65 1ijq s THR 674 CO -0.06 -0.68 0.75 0.00 -0.54 0.00 0.00 174.62 174.09 1ijq s ALA 676 N -1.94 0.40 0.35 0.00 0.00 0.58 -4.92 121.76 116.23 1ijq s ALA 676 Ca 0.53 -1.04 0.09 0.00 0.00 0.00 0.00 51.96 51.55 1ijq s ALA 676 Cb -0.11 0.24 -0.07 0.00 0.00 0.00 0.00 23.12 23.18 1ijq s ALA 676 CO 0.18 -0.31 -0.08 0.00 0.00 0.00 0.00 175.76 175.54 1ijq n PRO 678 N -0.80 0.28 -1.66 0.00 -0.02 -1.26 -4.83 135.00 126.70 1ijq n PRO 678 Ca -0.05 0.16 -0.45 0.00 -2.02 0.00 0.00 63.50 61.14 1ijq n PRO 678 Cb 0.64 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.75 1ijq n PRO 678 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1ijq n ASP 679 N -2.64 2.66 0.00 2.55 8.00 -1.26 -1.70 116.55 124.15 1ijq n ASP 679 Ca 0.13 1.14 0.00 0.00 0.71 0.00 0.00 54.79 56.77 1ijq n ASP 679 Cb 0.50 -1.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.19 1ijq n ASP 679 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ijq n GLY 680 N 2.20 3.32 3.95 0.44 0.00 -1.26 -5.04 105.19 108.81 1ijq n GLY 680 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 1ijq n GLY 680 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ijq s MET 681 N -0.67 3.48 0.10 1.61 -1.94 -0.69 -4.92 119.30 116.26 1ijq s MET 681 Ca 0.00 -0.50 0.09 0.00 -1.71 0.00 0.00 55.69 53.57 1ijq s MET 681 Cb 0.00 -2.80 -0.04 0.00 2.01 0.00 0.00 34.83 34.00 1ijq s MET 681 CO 0.00 0.33 -0.21 -0.51 -0.01 0.00 0.00 175.02 174.62 1ijq s LEU 682 N -3.89 2.54 0.14 -0.03 1.02 -0.45 -4.81 118.68 113.20 1ijq s LEU 682 Ca 0.37 -0.59 -0.30 0.00 0.02 0.00 0.00 54.13 53.63 1ijq s LEU 682 Cb -0.10 -1.44 -0.07 0.00 0.02 0.00 0.00 46.19 44.61 1ijq s LEU 682 CO 0.31 0.20 1.14 -0.22 0.02 0.00 0.00 176.35 177.81 1ijq s LEU 683 N -1.92 4.44 1.11 1.79 2.96 -1.26 -0.24 118.68 125.55 1ijq s LEU 683 Ca 0.16 2.08 -0.17 0.00 -0.22 0.00 0.00 54.13 55.97 1ijq s LEU 683 Cb -0.10 -3.60 0.24 0.00 0.50 0.00 0.00 46.19 43.24 1ijq s LEU 683 CO 0.08 -0.33 1.14 0.00 -1.32 0.00 0.00 176.35 175.92 1ijq s ALA 684 N 0.24 1.00 0.44 5.97 0.00 0.17 -4.85 121.76 124.73 1ijq s ALA 684 Ca 0.53 -0.85 0.40 0.00 0.00 0.00 0.00 51.96 52.04 1ijq s ALA 684 Cb -0.30 -2.92 2.00 0.00 0.00 0.00 0.00 23.12 21.90 1ijq s ALA 684 CO 0.33 -3.18 2.22 0.00 0.00 0.00 0.00 175.76 175.13 1ijq h ARG 685 N -2.24 0.00 0.00 0.00 2.47 -1.96 -1.22 114.38 111.44 1ijq h ARG 685 Ca -0.47 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.25 1ijq h ARG 685 Cb 1.30 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.62 1ijq h ARG 685 CO 0.41 0.00 0.00 -0.40 0.56 0.00 0.00 179.97 180.55 1ijq n ASP 686 N -3.10 0.00 -0.87 7.04 5.68 -1.26 -4.92 116.55 119.12 1ijq n ASP 686 Ca -0.02 -0.36 -0.11 0.00 -0.50 0.00 0.00 54.79 53.80 1ijq n ASP 686 Cb 0.17 -0.21 -0.05 0.00 -1.14 0.00 0.00 41.12 39.89 1ijq n ASP 686 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 1ijq n MET 687 N -1.21 -1.16 0.00 0.11 2.81 -0.46 -4.71 117.12 112.50 1ijq n MET 687 Ca 0.17 0.86 0.00 0.00 -1.81 0.00 0.00 57.70 56.92 1ijq n MET 687 Cb 0.20 -5.00 0.00 0.00 -0.71 0.00 0.00 33.22 27.72 1ijq n MET 687 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1ijq n ARG 688 N -1.93 0.22 -2.86 0.03 1.74 -1.26 -4.43 116.66 108.16 1ijq n ARG 688 Ca -0.11 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.71 1ijq n ARG 688 Cb 0.47 -0.56 0.00 0.00 -1.02 0.00 0.00 32.46 31.34 1ijq n ARG 688 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1ijq s SER 689 N -2.33 6.08 -0.07 0.55 0.01 -1.26 -1.46 113.70 115.21 1ijq s SER 689 Ca 0.00 0.63 0.02 0.00 1.31 0.00 0.00 55.95 57.92 1ijq s SER 689 Cb 0.00 -1.96 -0.02 0.00 0.21 0.00 0.00 66.02 64.25 1ijq s SER 689 CO 0.00 -0.61 -0.13 0.00 0.41 0.00 0.00 173.24 172.91 1ijq s LEU 691 N -0.44 2.55 0.00 0.00 1.43 0.67 -4.90 118.68 117.98 1ijq s LEU 691 Ca 0.05 -0.28 0.29 0.00 -1.03 0.00 0.00 54.13 53.16 1ijq s LEU 691 Cb -0.12 -1.50 1.72 0.00 0.03 0.00 0.00 46.19 46.31 1ijq s LEU 691 CO 0.02 0.32 2.06 0.35 0.23 0.00 0.00 176.35 179.33