#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dg5 s THR 392 N 0.00 0.04 0.01 12.58 -1.32 -0.63 -4.70 115.64 121.63 2dg5 s THR 392 Ca 0.00 -0.33 0.05 0.00 -1.21 0.00 0.00 61.69 60.20 2dg5 s THR 392 Cb 0.00 -0.62 -0.02 0.00 -1.51 0.00 0.00 72.50 70.36 2dg5 s THR 392 CO 0.00 -0.18 -0.16 -2.28 -2.21 0.00 0.00 174.62 169.79 2dg5 s HIS 393 N -0.96 1.43 0.02 9.09 2.46 -1.26 -1.70 115.29 124.37 2dg5 s HIS 393 Ca -0.10 -0.31 -0.02 0.00 0.47 0.00 0.00 55.06 55.09 2dg5 s HIS 393 Cb -0.04 -0.89 -0.02 0.00 -0.13 0.00 0.00 32.58 31.50 2dg5 s HIS 393 CO 0.04 0.01 0.02 1.52 -2.47 0.00 0.00 174.74 173.86 2dg5 s TYR 394 N -0.58 0.23 0.08 3.88 -0.85 -0.13 -4.62 117.35 115.36 2dg5 s TYR 394 Ca 0.05 -0.50 0.07 0.00 -0.52 0.00 0.00 57.07 56.17 2dg5 s TYR 394 Cb -0.07 -0.17 -0.03 0.00 0.38 0.00 0.00 41.96 42.06 2dg5 s TYR 394 CO 0.00 -0.26 -0.19 -1.12 -1.52 0.00 0.00 175.55 172.47 2dg5 s SER 395 N -1.69 2.23 -0.05 -0.18 0.01 -1.26 -1.08 113.70 111.69 2dg5 s SER 395 Ca -0.12 -0.63 -0.04 0.00 1.31 0.00 0.00 55.95 56.48 2dg5 s SER 395 Cb -0.06 -0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.06 2dg5 s SER 395 CO -0.02 0.03 0.12 -0.69 0.41 0.00 0.00 173.24 173.09 2dg5 s VAL 396 N -1.12 -0.01 -0.04 3.43 1.01 0.18 -4.99 120.40 118.87 2dg5 s VAL 396 Ca 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 61.98 62.05 2dg5 s VAL 396 Cb -0.10 -0.17 0.03 0.00 0.00 0.00 0.00 36.38 36.14 2dg5 s VAL 396 CO 0.03 0.01 0.02 -0.69 0.00 0.00 0.00 175.10 174.47 2dg5 s VAL 397 N 0.27 0.12 0.64 2.92 1.01 -1.26 -0.62 120.40 123.49 2dg5 s VAL 397 Ca -0.02 0.19 0.04 0.00 0.00 0.00 0.00 61.98 62.19 2dg5 s VAL 397 Cb -0.03 -0.27 0.10 0.00 0.00 0.00 0.00 36.38 36.18 2dg5 s VAL 397 CO -0.01 0.17 0.89 1.51 0.00 0.00 0.00 175.10 177.66 2dg5 s ASP 398 N 1.48 4.73 0.65 3.32 1.47 -0.53 -4.97 116.67 122.82 2dg5 s ASP 398 Ca -0.03 -0.56 0.40 0.00 1.18 0.00 0.00 52.55 53.54 2dg5 s ASP 398 Cb -0.13 0.07 2.26 0.00 -0.34 0.00 0.00 42.92 44.78 2dg5 s ASP 398 CO -0.03 -1.59 2.34 0.07 0.68 0.00 0.00 175.17 176.65 2dg5 h LYS 399 N -0.17 0.00 -0.00 2.11 2.10 -2.01 -1.51 116.57 117.09 2dg5 h LYS 399 Ca -0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.31 2dg5 h LYS 399 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 2dg5 h LYS 399 CO 0.41 0.00 -0.48 -0.25 -2.00 0.00 0.00 179.45 177.13 2dg5 n ASP 400 N -3.31 0.53 0.00 7.07 10.43 -1.26 -4.94 116.55 125.07 2dg5 n ASP 400 Ca -0.03 -0.29 0.00 0.00 2.57 0.00 0.00 54.79 57.04 2dg5 n ASP 400 Cb 0.07 0.24 0.00 0.00 1.84 0.00 0.00 41.12 43.27 2dg5 n ASP 400 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2dg5 n GLY 401 N 1.49 0.72 3.77 0.44 0.00 -0.57 -5.07 105.19 105.98 2dg5 n GLY 401 Ca 0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2dg5 n GLY 401 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2dg5 s ASN 402 N -2.56 6.83 0.03 1.61 0.01 -1.26 -4.83 114.94 114.76 2dg5 s ASN 402 Ca 0.00 2.14 0.04 0.00 -0.71 0.00 0.00 52.86 54.33 2dg5 s ASN 402 Cb 0.00 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.04 2dg5 s ASN 402 CO 0.00 -0.45 -0.13 0.00 -1.51 0.00 0.00 177.10 175.01 2dg5 s ALA 403 N -1.51 1.07 -0.01 0.60 0.00 -1.26 -1.45 121.76 119.20 2dg5 s ALA 403 Ca 0.55 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.74 2dg5 s ALA 403 Cb -0.26 -0.16 0.01 0.00 0.00 0.00 0.00 23.12 22.71 2dg5 s ALA 403 CO 0.32 0.19 0.01 0.08 0.00 0.00 0.00 175.76 176.36 2dg5 s VAL 404 N -0.83 0.00 -0.11 0.00 1.01 0.21 -5.00 120.40 115.68 2dg5 s VAL 404 Ca 0.01 0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.06 2dg5 s VAL 404 Cb -0.08 -0.05 0.02 0.00 0.00 0.00 0.00 36.38 36.27 2dg5 s VAL 404 CO 0.01 0.04 -0.11 0.00 0.00 0.00 0.00 175.10 175.04 2dg5 s ALA 405 N 0.36 1.46 -0.08 5.51 0.00 -1.26 -0.65 121.76 127.11 2dg5 s ALA 405 Ca -0.03 -0.61 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2dg5 s ALA 405 Cb -0.05 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.22 2dg5 s ALA 405 CO -0.01 -0.26 -0.17 0.08 0.00 0.00 0.00 175.76 175.41 2dg5 s VAL 406 N 1.36 1.48 -0.11 0.00 1.01 -0.24 -4.85 120.40 119.04 2dg5 s VAL 406 Ca -0.01 -0.68 0.02 0.00 0.00 0.00 0.00 61.98 61.31 2dg5 s VAL 406 Cb -0.14 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.95 2dg5 s VAL 406 CO -0.05 0.43 -0.15 -0.89 0.00 0.00 0.00 175.10 174.44 2dg5 s THR 407 N 0.51 1.49 0.15 3.92 2.01 -1.26 -0.96 115.64 121.50 2dg5 s THR 407 Ca -0.16 -0.64 -0.06 0.00 0.31 0.00 0.00 61.69 61.15 2dg5 s THR 407 Cb -0.16 -1.36 -0.02 0.00 0.01 0.00 0.00 72.50 70.96 2dg5 s THR 407 CO 0.06 0.44 0.19 -0.72 -0.69 0.00 0.00 174.62 173.90 2dg5 s TYR 408 N 0.99 0.55 0.11 4.92 -0.00 -0.69 -4.99 117.35 118.23 2dg5 s TYR 408 Ca -0.07 -0.93 -0.26 0.00 -0.00 0.00 0.00 57.07 55.81 2dg5 s TYR 408 Cb -0.15 -0.21 0.08 0.00 -0.00 0.00 0.00 41.96 41.67 2dg5 s TYR 408 CO -0.02 -0.63 0.98 -0.08 -0.00 0.00 0.00 175.55 175.80 2dg5 s THR 409 N -3.99 0.00 -1.75 -3.49 -1.32 -1.26 -1.60 115.64 102.22 2dg5 s THR 409 Ca 0.19 -0.50 0.14 0.00 -1.21 0.00 0.00 61.69 60.31 2dg5 s THR 409 Cb 0.05 -1.81 0.10 0.00 -1.51 0.00 0.00 72.50 69.34 2dg5 s THR 409 CO -0.00 0.00 0.94 0.18 -2.21 0.00 0.00 174.62 173.53 2dg5 n LEU 410 N -0.43 2.13 0.00 9.08 4.77 -1.26 -4.97 117.00 126.32 2dg5 n LEU 410 Ca -0.07 -0.97 0.00 0.00 -0.03 0.00 0.00 56.01 54.94 2dg5 n LEU 410 Cb 0.61 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2dg5 n LEU 410 CO 0.13 0.39 0.00 -3.20 -1.33 0.00 0.00 177.39 173.38 2dg5 n ASN 411 N 0.71 0.00 -4.67 -1.43 5.15 -1.26 -1.13 115.26 112.63 2dg5 n ASN 411 Ca 0.08 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.77 2dg5 n ASN 411 Cb 0.35 0.00 0.16 0.00 -0.53 0.00 0.00 39.78 39.77 2dg5 n ASN 411 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2dg5 s THR 412 N 0.00 1.98 -0.03 -0.44 -4.23 -1.26 -3.22 115.64 108.44 2dg5 s THR 412 Ca 0.00 0.00 -0.30 0.00 -1.18 0.00 0.00 61.69 60.21 2dg5 s THR 412 Cb 0.00 -2.61 -0.08 0.00 1.34 0.00 0.00 72.50 71.15 2dg5 s THR 412 CO 0.00 0.00 1.95 -0.89 -0.54 0.00 0.00 174.62 175.14 2dg5 s THR 413 N -3.12 3.12 0.00 3.99 2.01 -1.26 -0.44 115.64 119.93 2dg5 s THR 413 Ca 0.65 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.79 2dg5 s THR 413 Cb -0.16 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.25 2dg5 s THR 413 CO 0.56 -0.02 0.00 0.49 -0.69 0.00 0.00 174.62 174.95 2dg5 n PHE 414 N 8.17 0.00 -2.31 4.92 3.72 -1.26 -4.85 117.46 125.85 2dg5 n PHE 414 Ca 0.21 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.61 2dg5 n PHE 414 Cb 0.42 -0.49 0.00 0.00 -0.94 0.00 0.00 39.48 38.47 2dg5 n PHE 414 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2dg5 n GLY 415 N -1.95 3.01 0.20 1.37 0.00 0.41 -0.60 105.19 107.64 2dg5 n GLY 415 Ca 0.00 -0.23 0.15 0.00 0.00 0.00 0.00 46.02 45.94 2dg5 n GLY 415 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2dg5 h THR 416 N 0.00 0.00 0.00 2.61 1.35 -1.42 -3.45 112.91 112.00 2dg5 h THR 416 Ca 0.00 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2dg5 h THR 416 Cb 0.00 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 67.59 2dg5 h THR 416 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2dg5 n GLY 417 N -0.10 0.49 3.62 5.82 0.00 0.23 -5.01 105.19 110.25 2dg5 n GLY 417 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 2dg5 n GLY 417 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dg5 s ILE 418 N -2.00 5.33 0.10 -0.61 1.01 -1.26 -4.96 121.20 118.80 2dg5 s ILE 418 Ca 0.00 0.19 -0.21 0.00 0.00 0.00 0.00 60.65 60.63 2dg5 s ILE 418 Cb 0.00 -3.52 -0.07 0.00 0.01 0.00 0.00 42.46 38.88 2dg5 s ILE 418 CO 0.00 0.29 0.63 -0.69 0.00 0.00 0.00 174.94 175.17 2dg5 s VAL 419 N 1.49 4.63 -0.85 2.92 1.01 -1.26 -0.02 120.40 128.31 2dg5 s VAL 419 Ca 0.07 1.37 -0.25 0.00 0.00 0.00 0.00 61.98 63.17 2dg5 s VAL 419 Cb -0.15 -3.97 0.03 0.00 0.00 0.00 0.00 36.38 32.29 2dg5 s VAL 419 CO 0.08 0.54 1.42 0.00 0.00 0.00 0.00 175.10 177.15 2dg5 s ALA 420 N -1.10 2.64 0.00 5.51 0.00 0.37 -4.90 121.76 124.27 2dg5 s ALA 420 Ca 0.31 -1.69 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2dg5 s ALA 420 Cb -0.21 -4.39 0.00 0.00 0.00 0.00 0.00 23.12 18.53 2dg5 s ALA 420 CO 0.21 -3.55 0.00 0.41 0.00 0.00 0.00 175.76 172.84 2dg5 n GLY 421 N 6.09 2.87 1.70 0.00 0.00 -1.26 -1.58 105.19 113.01 2dg5 n GLY 421 Ca 0.18 -0.14 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 2dg5 n GLY 421 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dg5 n GLU 422 N 14.00 3.14 0.12 1.61 -0.58 -1.26 -4.23 120.64 133.43 2dg5 n GLU 422 Ca 0.00 -2.33 0.06 0.00 -0.42 0.00 0.00 57.16 54.48 2dg5 n GLU 422 Cb 0.00 -2.00 0.02 0.00 -0.57 0.00 0.00 31.44 28.89 2dg5 n GLU 422 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 2dg5 h SER 423 N 2.10 0.00 0.00 1.62 4.64 -1.68 -3.47 113.55 116.76 2dg5 h SER 423 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 2dg5 h SER 423 Cb 1.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.03 2dg5 h SER 423 CO 0.56 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 177.40 2dg5 n GLY 424 N 1.23 0.50 3.61 -0.77 0.00 -1.26 -5.01 105.19 103.49 2dg5 n GLY 424 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 2dg5 n GLY 424 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dg5 s ILE 425 N -2.13 5.28 0.29 -0.61 1.01 -1.26 -4.93 121.20 118.86 2dg5 s ILE 425 Ca 0.00 0.28 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 2dg5 s ILE 425 Cb 0.00 -3.57 -0.10 0.00 0.01 0.00 0.00 42.46 38.80 2dg5 s ILE 425 CO 0.00 0.25 1.14 -0.76 0.00 0.00 0.00 174.94 175.57 2dg5 s LEU 426 N 1.69 4.52 -0.13 2.97 1.43 -1.26 -0.48 118.68 127.42 2dg5 s LEU 426 Ca 0.09 2.36 -0.11 0.00 -1.03 0.00 0.00 54.13 55.43 2dg5 s LEU 426 Cb -0.15 -3.64 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 2dg5 s LEU 426 CO 0.10 -0.23 0.24 -0.76 0.23 0.00 0.00 176.35 175.93 2dg5 s LEU 427 N -1.55 4.32 0.86 1.79 1.43 0.97 -4.91 118.68 121.59 2dg5 s LEU 427 Ca 0.46 0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 53.98 2dg5 s LEU 427 Cb -0.33 -2.28 0.11 0.00 0.03 0.00 0.00 46.19 43.72 2dg5 s LEU 427 CO 0.43 0.24 1.11 0.54 0.23 0.00 0.00 176.35 178.90 2dg5 s ASN 428 N -0.25 3.63 -0.36 2.29 2.20 -1.26 -1.36 114.94 119.84 2dg5 s ASN 428 Ca 0.16 1.92 0.09 0.00 -0.94 0.00 0.00 52.86 54.09 2dg5 s ASN 428 Cb -0.13 -2.50 0.45 0.00 -2.00 0.00 0.00 41.25 37.07 2dg5 s ASN 428 CO 0.05 -2.61 1.11 -0.46 -2.94 0.00 0.00 177.10 172.25 2dg5 n ASN 429 N -3.90 4.02 -3.13 3.54 0.23 -0.28 -4.38 115.26 111.36 2dg5 n ASN 429 Ca 0.10 -3.42 -0.15 0.00 -0.53 0.00 0.00 54.58 50.58 2dg5 n ASN 429 Cb 0.53 -0.43 -0.01 0.00 -2.08 0.00 0.00 39.78 37.78 2dg5 n ASN 429 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 2dg5 n GLN 430 N -0.51 1.20 0.00 -3.83 -0.06 -1.26 -4.60 117.38 108.32 2dg5 n GLN 430 Ca 0.33 -1.08 0.00 0.00 -2.00 0.00 0.00 57.00 54.25 2dg5 n GLN 430 Cb 0.80 -2.29 0.00 0.00 -4.06 0.00 0.00 30.24 24.69 2dg5 n GLN 430 CO 0.00 0.00 0.00 -3.47 -0.20 0.00 0.00 177.06 173.39 2dg5 n ASP 432 N 4.73 0.00 0.03 1.69 2.03 -1.26 -4.29 116.55 119.48 2dg5 n ASP 432 Ca 0.27 0.00 0.14 0.00 0.52 0.00 0.00 54.79 55.72 2dg5 n ASP 432 Cb 0.09 0.00 0.56 0.00 -0.72 0.00 0.00 41.12 41.06 2dg5 n ASP 432 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2dg5 n ASP 433 N 0.00 0.21 -4.89 1.67 8.00 -1.26 -4.67 116.55 115.61 2dg5 n ASP 433 Ca 0.00 0.51 -0.30 0.00 0.71 0.00 0.00 54.79 55.72 2dg5 n ASP 433 Cb 0.00 -0.57 0.05 0.00 -0.02 0.00 0.00 41.12 40.58 2dg5 n ASP 433 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2dg5 s PHE 434 N -3.03 3.30 -0.27 1.24 0.08 -1.26 -4.13 117.98 113.91 2dg5 s PHE 434 Ca 0.13 0.99 -0.22 0.00 0.12 0.00 0.00 56.93 57.96 2dg5 s PHE 434 Cb 0.17 -3.05 -0.01 0.00 -0.57 0.00 0.00 43.02 39.56 2dg5 s PHE 434 CO 0.55 -1.17 0.69 0.45 -0.10 0.00 0.00 175.22 175.64 2dg5 s SER 435 N -4.36 6.62 0.27 1.36 0.15 0.08 -4.92 113.70 112.90 2dg5 s SER 435 Ca 0.58 0.70 0.13 0.00 0.70 0.00 0.00 55.95 58.05 2dg5 s SER 435 Cb -0.11 -2.36 0.32 0.00 -1.71 0.00 0.00 66.02 62.16 2dg5 s SER 435 CO 0.51 -0.46 1.57 0.00 1.20 0.00 0.00 173.24 176.07 2dg5 h ALA 436 N 7.95 0.85 -1.95 5.45 0.00 -1.88 -3.32 119.26 126.36 2dg5 h ALA 436 Ca -0.26 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.10 2dg5 h ALA 436 Cb 1.11 -0.10 -0.22 0.00 0.00 0.00 0.00 17.79 18.59 2dg5 h ALA 436 CO 0.81 0.76 0.12 0.21 0.00 0.00 0.00 179.25 181.15 2dg5 s LYS 437 N -3.39 0.73 0.06 0.00 2.20 -1.26 -4.96 119.74 113.12 2dg5 s LYS 437 Ca -0.00 1.06 -0.36 0.00 -0.36 0.00 0.00 55.97 56.31 2dg5 s LYS 437 Cb 0.11 0.26 -0.15 0.00 -1.51 0.00 0.00 37.83 36.54 2dg5 s LYS 437 CO 0.75 -0.12 1.52 -2.30 -0.36 0.00 0.00 175.35 174.84 2dg5 n PRO 438 N 3.45 1.63 -0.85 4.03 -0.02 -1.26 -1.92 135.00 140.06 2dg5 n PRO 438 Ca -0.17 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2dg5 n PRO 438 Cb 0.57 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 2dg5 n PRO 438 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dg5 n GLY 439 N 3.20 0.91 3.51 -1.23 0.00 -0.99 -5.01 105.19 105.57 2dg5 n GLY 439 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 2dg5 n GLY 439 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dg5 s VAL 440 N -3.62 4.34 0.55 1.61 1.01 -0.81 -4.98 120.40 118.50 2dg5 s VAL 440 Ca 0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 61.98 61.61 2dg5 s VAL 440 Cb 0.00 -2.98 -0.06 0.00 0.00 0.00 0.00 36.38 33.35 2dg5 s VAL 440 CO 0.00 0.41 1.12 -2.16 0.00 0.00 0.00 175.10 174.47 2dg5 s PRO 441 N 0.96 3.36 0.00 2.72 0.04 -1.26 -4.65 135.00 136.17 2dg5 s PRO 441 Ca 0.03 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.63 2dg5 s PRO 441 Cb -0.14 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2dg5 s PRO 441 CO 0.02 -0.83 0.00 0.27 0.04 0.00 0.00 177.00 176.50 2dg5 n ASN 442 N -1.36 0.00 0.33 6.66 6.94 -0.41 -4.86 115.26 122.56 2dg5 n ASN 442 Ca 0.11 -0.74 0.21 0.00 -0.02 0.00 0.00 54.58 54.14 2dg5 n ASN 442 Cb 0.51 0.00 1.12 0.00 -2.36 0.00 0.00 39.78 39.05 2dg5 n ASN 442 CO 0.00 0.00 0.00 1.62 -1.03 0.00 0.00 177.26 177.85 2dg5 h VAL 443 N -0.21 0.11 -0.44 3.53 3.04 -1.90 -0.76 116.25 119.61 2dg5 h VAL 443 Ca 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2dg5 h VAL 443 Cb 0.00 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 30.24 2dg5 h VAL 443 CO 0.00 0.00 0.00 -1.22 -1.01 0.00 0.00 177.57 175.34 2dg5 n TYR 444 N -3.23 0.57 -0.99 3.17 4.01 -1.26 -4.93 117.16 114.50 2dg5 n TYR 444 Ca -0.03 -0.30 0.00 0.00 -0.16 0.00 0.00 57.90 57.41 2dg5 n TYR 444 Cb 0.11 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.14 2dg5 n TYR 444 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2dg5 n GLY 445 N 1.46 0.50 3.82 2.72 0.00 -0.29 -4.75 105.19 108.64 2dg5 n GLY 445 Ca 0.20 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2dg5 n GLY 445 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dg5 s LEU 446 N 0.00 4.26 0.29 0.99 1.43 -1.26 -4.47 118.68 119.91 2dg5 s LEU 446 Ca 0.00 1.47 0.07 0.00 -1.03 0.00 0.00 54.13 54.64 2dg5 s LEU 446 Cb 0.00 -3.81 -0.06 0.00 0.03 0.00 0.00 46.19 42.35 2dg5 s LEU 446 CO 0.00 -0.05 -0.07 0.68 0.23 0.00 0.00 176.35 177.13 2dg5 s VAL 447 N -1.67 1.77 0.00 -1.59 -7.23 -1.26 -1.29 120.40 109.13 2dg5 s VAL 447 Ca 0.47 -2.15 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2dg5 s VAL 447 Cb -0.15 -2.45 0.00 0.00 0.56 0.00 0.00 36.38 34.34 2dg5 s VAL 447 CO 0.20 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.30 2dg5 n GLY 448 N -0.61 2.33 0.00 2.32 0.00 -1.26 -5.00 105.19 102.97 2dg5 n GLY 448 Ca -0.05 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2dg5 n GLY 448 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dg5 n GLY 449 N 0.00 3.22 0.12 -0.02 0.00 -1.26 -2.36 105.19 104.89 2dg5 n GLY 449 Ca 0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 2dg5 n GLY 449 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dg5 h ASP 450 N 0.00 0.29 -0.67 1.61 3.45 -1.98 -2.74 116.42 116.39 2dg5 h ASP 450 Ca 0.00 -0.41 0.12 0.00 0.43 0.00 0.00 57.03 57.16 2dg5 h ASP 450 Cb 0.00 -0.08 -0.08 0.00 -0.56 0.00 0.00 39.33 38.60 2dg5 h ASP 450 CO 0.00 0.64 0.24 0.00 -1.57 0.00 0.00 179.24 178.55 2dg5 h ALA 451 N 0.66 0.88 -0.54 3.45 0.00 -2.02 -2.48 119.26 119.21 2dg5 h ALA 451 Ca 0.03 0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.83 2dg5 h ALA 451 Cb 0.53 0.09 -0.13 0.00 0.00 0.00 0.00 17.79 18.29 2dg5 h ALA 451 CO 0.02 -0.21 0.15 -1.71 0.00 0.00 0.00 179.25 177.50 2dg5 n ASN 452 N -5.02 3.57 -4.80 0.00 4.05 -1.25 -5.01 115.26 106.81 2dg5 n ASN 452 Ca 0.11 -3.46 -0.33 0.00 0.45 0.00 0.00 54.58 51.35 2dg5 n ASN 452 Cb 0.34 -0.68 0.00 0.00 1.23 0.00 0.00 39.78 40.67 2dg5 n ASN 452 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2dg5 s ALA 453 N -3.11 2.75 0.37 5.20 0.00 -0.93 -0.74 121.76 125.29 2dg5 s ALA 453 Ca 0.49 0.47 -0.28 0.00 0.00 0.00 0.00 51.96 52.64 2dg5 s ALA 453 Cb 0.41 -3.25 -0.10 0.00 0.00 0.00 0.00 23.12 20.19 2dg5 s ALA 453 CO 0.07 -0.73 1.36 0.08 0.00 0.00 0.00 175.76 176.53 2dg5 s VAL 454 N -2.32 2.50 -0.03 0.00 1.01 -1.25 -4.83 120.40 115.49 2dg5 s VAL 454 Ca 0.65 0.49 -0.28 0.00 0.00 0.00 0.00 61.98 62.83 2dg5 s VAL 454 Cb -0.17 -3.30 0.06 0.00 0.00 0.00 0.00 36.38 32.97 2dg5 s VAL 454 CO 0.33 0.10 0.62 -0.83 0.00 0.00 0.00 175.10 175.33 2dg5 s GLY 455 N -0.46 -0.52 0.33 4.51 0.00 -1.26 -5.10 107.32 104.81 2dg5 s GLY 455 Ca 0.52 1.12 -0.29 0.00 0.00 0.00 0.00 44.72 46.07 2dg5 s GLY 455 CO 0.55 0.78 1.56 2.56 0.00 0.00 0.00 173.10 178.55 2dg5 s PRO 456 N -1.42 4.10 0.00 2.90 0.04 -1.26 -2.32 135.00 137.04 2dg5 s PRO 456 Ca -0.10 2.60 0.00 0.00 0.04 0.00 0.00 61.00 63.54 2dg5 s PRO 456 Cb -0.01 -2.99 0.00 0.00 0.04 0.00 0.00 34.50 31.54 2dg5 s PRO 456 CO 0.07 -0.61 0.00 0.09 0.04 0.00 0.00 177.00 176.59 2dg5 n ASN 457 N 1.42 -2.82 -4.82 6.66 3.02 -1.26 -4.97 115.26 112.49 2dg5 n ASN 457 Ca 0.05 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.26 2dg5 n ASN 457 Cb 0.38 -2.39 -0.06 0.00 -0.61 0.00 0.00 39.78 37.10 2dg5 n ASN 457 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2dg5 s LYS 458 N -1.18 4.23 -0.23 3.52 2.20 -0.98 -5.05 119.74 122.25 2dg5 s LYS 458 Ca 0.00 0.93 -0.16 0.00 -0.36 0.00 0.00 55.97 56.38 2dg5 s LYS 458 Cb 0.00 -2.59 -0.04 0.00 -1.51 0.00 0.00 37.83 33.69 2dg5 s LYS 458 CO 0.00 0.22 0.42 1.03 -0.36 0.00 0.00 175.35 176.66 2dg5 s ARG 459 N -2.53 4.10 0.39 4.03 0.52 -1.26 -4.89 118.95 119.31 2dg5 s ARG 459 Ca 0.51 0.19 -0.27 0.00 -0.52 0.00 0.00 55.73 55.64 2dg5 s ARG 459 Cb -0.14 -3.60 -0.09 0.00 0.52 0.00 0.00 34.95 31.64 2dg5 s ARG 459 CO 0.19 -0.18 1.31 -1.25 0.02 0.00 0.00 175.30 175.39 2dg5 s PRO 460 N 1.77 4.06 0.30 3.54 0.04 -1.26 -4.93 135.00 138.52 2dg5 s PRO 460 Ca 0.18 2.19 -0.30 0.00 0.04 0.00 0.00 61.00 63.12 2dg5 s PRO 460 Cb -0.15 -2.84 -0.12 0.00 0.04 0.00 0.00 34.50 31.43 2dg5 s PRO 460 CO 0.09 -0.43 1.51 -0.11 0.04 0.00 0.00 177.00 178.10 2dg5 n LEU 461 N 0.29 4.04 -4.64 -3.56 7.94 -1.26 -4.94 117.00 114.87 2dg5 n LEU 461 Ca 0.03 1.16 -0.26 0.00 -1.11 0.00 0.00 56.01 55.83 2dg5 n LEU 461 Cb 0.43 -1.55 -0.09 0.00 0.53 0.00 0.00 43.42 42.74 2dg5 n LEU 461 CO 0.57 -0.07 -0.27 -0.55 -1.11 0.00 0.00 177.39 175.96 2dg5 s SER 462 N 0.28 4.06 -0.31 1.96 0.15 -1.26 -4.74 113.70 113.84 2dg5 s SER 462 Ca 0.63 -1.19 0.01 0.00 0.70 0.00 0.00 55.95 56.10 2dg5 s SER 462 Cb -0.54 -0.44 0.07 0.00 -1.71 0.00 0.00 66.02 63.40 2dg5 s SER 462 CO 0.52 -0.39 -0.01 -0.44 1.20 0.00 0.00 173.24 174.13 2dg5 s SER 463 N -3.74 4.76 0.00 5.45 0.01 -1.26 -5.14 113.70 113.77 2dg5 s SER 463 Ca 0.36 -1.57 0.00 0.00 1.31 0.00 0.00 55.95 56.05 2dg5 s SER 463 Cb 0.05 -1.65 0.00 0.00 0.21 0.00 0.00 66.02 64.63 2dg5 s SER 463 CO 0.19 -0.29 0.00 -1.20 0.41 0.00 0.00 173.24 172.35 2dg5 n SER 465 N 4.48 0.00 -4.72 2.44 7.64 -1.26 -4.24 113.62 117.96 2dg5 n SER 465 Ca -0.09 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.37 2dg5 n SER 465 Cb 0.42 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.60 2dg5 n SER 465 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2dg5 s PRO 466 N 0.00 4.16 0.04 1.43 0.04 -1.26 -4.52 135.00 134.88 2dg5 s PRO 466 Ca 0.00 2.51 0.02 0.00 0.04 0.00 0.00 61.00 63.57 2dg5 s PRO 466 Cb 0.00 -3.09 -0.02 0.00 0.04 0.00 0.00 34.50 31.42 2dg5 s PRO 466 CO 0.00 -0.68 -0.07 0.99 0.04 0.00 0.00 177.00 177.28 2dg5 s THR 467 N 0.96 0.51 -0.04 1.26 2.01 -0.08 -5.00 115.64 115.25 2dg5 s THR 467 Ca 0.71 -0.98 0.02 0.00 0.31 0.00 0.00 61.69 61.74 2dg5 s THR 467 Cb -0.47 -0.57 0.01 0.00 0.01 0.00 0.00 72.50 71.48 2dg5 s THR 467 CO 0.34 -0.34 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.23 2dg5 s ILE 468 N -1.25 0.78 -0.12 1.82 1.01 -1.26 -0.74 121.20 121.44 2dg5 s ILE 468 Ca -0.09 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.24 2dg5 s ILE 468 Cb -0.09 -0.74 -0.03 0.00 0.01 0.00 0.00 42.46 41.61 2dg5 s ILE 468 CO 0.00 0.27 -0.05 -0.69 0.00 0.00 0.00 174.94 174.47 2dg5 s VAL 469 N 0.61 3.85 -0.14 2.92 1.01 0.49 -4.96 120.40 124.18 2dg5 s VAL 469 Ca -0.10 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 2dg5 s VAL 469 Cb -0.13 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 2dg5 s VAL 469 CO 0.01 0.54 0.01 -0.69 0.00 0.00 0.00 175.10 174.97 2dg5 s VAL 470 N -0.13 4.32 -0.06 2.92 1.01 -1.26 -0.73 120.40 126.47 2dg5 s VAL 470 Ca 0.02 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.82 2dg5 s VAL 470 Cb -0.13 -2.88 0.01 0.00 0.00 0.00 0.00 36.38 33.38 2dg5 s VAL 470 CO 0.03 0.53 -0.15 -0.75 0.00 0.00 0.00 175.10 174.76 2dg5 s LYS 471 N -0.12 1.86 -1.54 2.72 2.20 -0.16 -4.76 119.74 119.95 2dg5 s LYS 471 Ca 0.04 -0.50 -0.14 0.00 -0.36 0.00 0.00 55.97 55.01 2dg5 s LYS 471 Cb -0.13 -1.53 0.10 0.00 -1.51 0.00 0.00 37.83 34.77 2dg5 s LYS 471 CO 0.02 0.09 0.84 -0.25 -0.36 0.00 0.00 175.35 175.69 2dg5 n ASP 472 N 3.63 -4.32 0.00 1.43 8.00 -1.26 -1.16 116.55 122.88 2dg5 n ASP 472 Ca -0.21 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.53 2dg5 n ASP 472 Cb 0.52 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 38.14 2dg5 n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dg5 n GLY 473 N -1.52 0.69 3.28 0.44 0.00 -1.26 -5.01 105.19 101.81 2dg5 n GLY 473 Ca 0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 2dg5 n GLY 473 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dg5 s LYS 474 N -0.22 1.12 0.11 1.61 -0.14 -0.31 -5.09 119.74 116.82 2dg5 s LYS 474 Ca 0.00 -1.18 -0.35 0.00 -1.36 0.00 0.00 55.97 53.09 2dg5 s LYS 474 Cb 0.00 -1.33 -0.14 0.00 -1.68 0.00 0.00 37.83 34.67 2dg5 s LYS 474 CO 0.00 0.30 1.57 2.41 -0.76 0.00 0.00 175.35 178.88 2dg5 n THR 475 N 1.00 0.08 0.00 2.17 -1.04 -1.26 -0.98 114.28 114.24 2dg5 n THR 475 Ca -0.19 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 2dg5 n THR 475 Cb 0.54 -1.43 0.00 0.00 -1.82 0.00 0.00 70.33 67.62 2dg5 n THR 475 CO 0.00 0.00 0.00 1.87 -0.64 0.00 0.00 175.07 176.30 2dg5 n TRP 476 N 3.69 0.00 -4.41 -1.42 -0.00 0.09 -4.57 117.44 110.82 2dg5 n TRP 476 Ca 0.18 0.00 -0.22 0.00 -0.00 0.00 0.00 57.50 57.46 2dg5 n TRP 476 Cb 0.27 0.04 -0.16 0.00 -0.00 0.00 0.00 31.31 31.45 2dg5 n TRP 476 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 177.69 176.52 2dg5 s LEU 477 N -5.20 1.56 -0.19 5.87 2.96 -0.79 -0.36 118.68 122.53 2dg5 s LEU 477 Ca 0.00 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 53.70 2dg5 s LEU 477 Cb 0.00 -0.65 0.03 0.00 0.50 0.00 0.00 46.19 46.07 2dg5 s LEU 477 CO 0.00 0.01 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.17 2dg5 s VAL 478 N 0.67 2.03 0.22 1.68 1.01 0.41 -0.38 120.40 126.04 2dg5 s VAL 478 Ca -0.12 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 60.82 2dg5 s VAL 478 Cb -0.14 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.36 2dg5 s VAL 478 CO 0.02 0.44 0.32 1.07 0.00 0.00 0.00 175.10 176.95 2dg5 n THR 479 N 4.61 0.00 0.00 3.92 5.66 0.08 -1.16 114.28 127.39 2dg5 n THR 479 Ca -0.19 -1.11 0.00 0.00 -3.05 0.00 0.00 64.05 59.70 2dg5 n THR 479 Cb 0.49 0.69 0.00 0.00 -1.55 0.00 0.00 70.33 69.96 2dg5 n THR 479 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2dg5 n GLY 480 N -0.37 0.51 3.60 1.09 0.00 -1.26 -0.90 105.19 107.87 2dg5 n GLY 480 Ca 0.00 -1.20 -0.04 0.00 0.00 0.00 0.00 46.02 44.78 2dg5 n GLY 480 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dg5 s SER 481 N 0.00 -0.13 0.79 1.61 0.15 -1.26 -3.60 113.70 111.26 2dg5 s SER 481 Ca 0.00 0.01 -0.05 0.00 0.70 0.00 0.00 55.95 56.60 2dg5 s SER 481 Cb 0.00 0.13 0.14 0.00 -1.71 0.00 0.00 66.02 64.59 2dg5 s SER 481 CO 0.00 -0.21 1.09 -2.16 1.20 0.00 0.00 173.24 173.16 2dg5 s PRO 482 N -2.32 1.42 0.00 5.44 0.04 -1.26 -4.67 135.00 133.64 2dg5 s PRO 482 Ca 0.09 -0.87 0.00 0.00 0.04 0.00 0.00 61.00 60.26 2dg5 s PRO 482 Cb -0.01 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.34 2dg5 s PRO 482 CO -0.04 -1.71 0.00 0.41 0.04 0.00 0.00 177.00 175.70 2dg5 n GLY 483 N -3.10 -0.39 7.00 0.56 0.00 -1.26 -4.28 105.19 103.72 2dg5 n GLY 483 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2dg5 n GLY 483 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dg5 n GLY 484 N 0.00 3.35 0.31 -0.02 0.00 -1.26 -0.34 105.19 107.24 2dg5 n GLY 484 Ca 0.00 0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.22 2dg5 n GLY 484 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2dg5 h SER 485 N 0.00 0.00 0.84 1.61 4.64 -1.96 -2.00 113.55 116.69 2dg5 h SER 485 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2dg5 h SER 485 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2dg5 h SER 485 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 2dg5 n ARG 486 N -3.94 0.05 -0.18 4.77 3.00 0.54 -3.78 116.66 117.11 2dg5 n ARG 486 Ca -0.01 0.05 -0.04 0.00 -0.01 0.00 0.00 57.85 57.84 2dg5 n ARG 486 Cb 0.20 -1.50 0.05 0.00 0.00 0.00 0.00 32.46 31.22 2dg5 n ARG 486 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2dg5 h ILE 487 N 0.00 1.01 -0.23 0.55 2.04 -1.42 -0.41 117.51 119.04 2dg5 h ILE 487 Ca 0.00 -0.21 0.04 0.00 1.00 0.00 0.00 64.86 65.70 2dg5 h ILE 487 Cb 0.42 0.36 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 2dg5 h ILE 487 CO 0.00 0.11 -0.04 0.40 0.00 0.00 0.00 178.15 178.62 2dg5 h ILE 488 N 0.60 0.79 -0.02 -0.67 2.04 -1.74 -1.25 117.51 117.27 2dg5 h ILE 488 Ca 0.23 -0.01 -0.17 0.00 1.00 0.00 0.00 64.86 65.92 2dg5 h ILE 488 Cb 0.08 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 36.91 2dg5 h ILE 488 CO -0.13 0.00 -0.74 0.71 0.00 0.00 0.00 178.15 177.99 2dg5 h THR 489 N 0.03 1.47 -0.22 -0.27 1.35 -1.74 -1.32 112.91 112.21 2dg5 h THR 489 Ca 0.11 -2.38 -0.03 0.00 -0.55 0.00 0.00 66.41 63.56 2dg5 h THR 489 Cb 0.16 2.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 2dg5 h THR 489 CO -0.22 0.69 0.00 0.74 -0.25 0.00 0.00 175.52 176.48 2dg5 h THR 490 N 0.09 1.25 -0.54 6.82 2.02 -0.82 -0.92 112.91 120.81 2dg5 h THR 490 Ca -0.02 -0.87 -0.12 0.00 0.77 0.00 0.00 66.41 66.17 2dg5 h THR 490 Cb 1.31 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 69.10 2dg5 h THR 490 CO 0.11 0.27 -0.11 0.58 0.37 0.00 0.00 175.52 176.73 2dg5 h VAL 491 N 0.15 1.27 -0.55 3.16 2.07 -1.26 -2.77 116.25 118.32 2dg5 h VAL 491 Ca 0.06 -1.27 0.07 0.00 0.82 0.00 0.00 66.70 66.38 2dg5 h VAL 491 Cb 0.40 0.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 2dg5 h VAL 491 CO 0.01 0.45 0.23 0.25 0.02 0.00 0.00 177.57 178.53 2dg5 h LEU 492 N 0.91 0.26 -2.81 2.57 5.85 -1.10 -1.71 115.31 119.28 2dg5 h LEU 492 Ca 0.14 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.92 2dg5 h LEU 492 Cb 0.68 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2dg5 h LEU 492 CO 0.05 0.17 0.00 0.00 -0.34 0.00 0.00 178.44 178.32 2dg5 n GLN 493 N -4.96 0.19 0.00 1.25 6.02 -0.36 -0.82 117.38 118.69 2dg5 n GLN 493 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 2dg5 n GLN 493 Cb 0.21 -1.40 0.00 0.00 1.02 0.00 0.00 30.24 30.07 2dg5 n GLN 493 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 2dg5 n VAL 495 N 1.35 0.00 -0.17 5.09 0.31 -0.65 -0.21 118.33 124.05 2dg5 n VAL 495 Ca 0.00 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.25 2dg5 n VAL 495 Cb 0.10 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.04 2dg5 n VAL 495 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 2dg5 h VAL 496 N 0.00 1.18 -0.96 2.52 2.07 -1.25 -0.59 116.25 119.22 2dg5 h VAL 496 Ca 0.00 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.06 2dg5 h VAL 496 Cb 0.00 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 2dg5 h VAL 496 CO 0.00 0.20 0.63 0.78 0.02 0.00 0.00 177.57 179.20 2dg5 h ASN 497 N 0.65 1.05 -0.02 0.57 2.35 -0.84 0.82 115.58 120.17 2dg5 h ASN 497 Ca 0.17 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.88 2dg5 h ASN 497 Cb 0.09 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 38.21 2dg5 h ASN 497 CO -0.02 0.73 -0.09 0.28 -1.65 0.00 0.00 177.43 176.67 2dg5 h SER 498 N 1.23 0.11 0.00 5.81 0.02 -1.71 -1.49 113.55 117.52 2dg5 h SER 498 Ca 0.38 -0.66 -0.01 0.00 -0.84 0.00 0.00 61.79 60.66 2dg5 h SER 498 Cb -0.01 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.49 2dg5 h SER 498 CO -0.11 0.76 -0.08 0.40 -1.14 0.00 0.00 176.83 176.65 2dg5 h ILE 499 N -0.52 0.71 -0.05 3.27 2.04 -1.03 -3.10 117.51 118.83 2dg5 h ILE 499 Ca -0.01 -1.56 -0.20 0.00 1.00 0.00 0.00 64.86 64.10 2dg5 h ILE 499 Cb 0.75 1.37 0.01 0.00 -0.74 0.00 0.00 36.82 38.22 2dg5 h ILE 499 CO 0.02 0.24 -0.74 0.44 0.00 0.00 0.00 178.15 178.12 2dg5 h ASP 500 N -1.00 0.74 0.06 1.72 3.32 -1.04 -3.33 116.42 116.88 2dg5 h ASP 500 Ca -0.01 -0.70 0.00 0.00 0.02 0.00 0.00 57.03 56.33 2dg5 h ASP 500 Cb 0.46 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.78 2dg5 h ASP 500 CO -0.01 1.33 -0.33 -1.22 -1.72 0.00 0.00 179.24 177.30 2dg5 n TYR 501 N -4.07 0.00 -2.50 4.55 4.01 -1.07 -4.98 117.16 113.10 2dg5 n TYR 501 Ca -0.09 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.45 2dg5 n TYR 501 Cb 0.73 -0.04 -0.00 0.00 -0.31 0.00 0.00 39.34 39.72 2dg5 n TYR 501 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2dg5 n GLY 502 N 1.37 -0.50 3.76 2.72 0.00 -0.94 -4.97 105.19 106.64 2dg5 n GLY 502 Ca 0.11 0.02 -0.39 0.00 0.00 0.00 0.00 46.02 45.76 2dg5 n GLY 502 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dg5 s LEU 503 N -6.02 4.56 0.90 0.99 1.43 -0.60 -5.00 118.68 114.94 2dg5 s LEU 503 Ca 0.04 1.96 -0.12 0.00 -1.03 0.00 0.00 54.13 54.98 2dg5 s LEU 503 Cb -0.02 -3.72 0.13 0.00 0.03 0.00 0.00 46.19 42.61 2dg5 s LEU 503 CO 0.05 0.06 1.09 0.54 0.23 0.00 0.00 176.35 178.33 2dg5 s ASN 504 N -1.26 3.40 0.42 2.29 2.20 -1.26 -4.48 114.94 116.25 2dg5 s ASN 504 Ca 0.44 1.48 0.15 0.00 -0.94 0.00 0.00 52.86 53.99 2dg5 s ASN 504 Cb -0.25 -2.16 1.04 0.00 -2.00 0.00 0.00 41.25 37.88 2dg5 s ASN 504 CO 0.31 -2.68 1.91 1.62 -2.94 0.00 0.00 177.10 175.32 2dg5 h VAL 505 N -1.58 0.79 -0.15 3.54 3.04 -1.94 0.25 116.25 120.20 2dg5 h VAL 505 Ca -0.50 -0.15 -0.16 0.00 -1.01 0.00 0.00 66.70 64.88 2dg5 h VAL 505 Cb 1.29 0.31 0.01 0.00 -2.01 0.00 0.00 31.29 30.89 2dg5 h VAL 505 CO 0.55 0.08 -0.55 0.00 -1.01 0.00 0.00 177.57 176.63 2dg5 h ALA 506 N 1.64 0.26 -0.65 3.17 0.00 -1.90 -2.35 119.26 119.42 2dg5 h ALA 506 Ca 0.38 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2dg5 h ALA 506 Cb 0.87 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2dg5 h ALA 506 CO -0.13 0.48 0.36 0.93 0.00 0.00 0.00 179.25 180.89 2dg5 h GLU 507 N 0.29 0.91 -0.51 0.00 5.08 -1.57 -1.02 114.58 117.76 2dg5 h GLU 507 Ca -0.03 -0.10 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 2dg5 h GLU 507 Cb 1.18 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 2dg5 h GLU 507 CO 0.12 0.68 0.09 0.00 -1.00 0.00 0.00 179.01 178.89 2dg5 h ALA 508 N 1.18 1.20 -0.26 3.43 0.00 -1.01 -2.43 119.26 121.36 2dg5 h ALA 508 Ca 0.23 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 2dg5 h ALA 508 Cb 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2dg5 h ALA 508 CO -0.04 0.54 -0.43 1.15 0.00 0.00 0.00 179.25 180.47 2dg5 h THR 509 N 0.76 1.30 -0.00 0.00 2.02 -1.00 -3.26 112.91 112.73 2dg5 h THR 509 Ca 0.16 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.72 2dg5 h THR 509 Cb 0.34 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2dg5 h THR 509 CO 0.00 0.52 -0.12 0.59 0.37 0.00 0.00 175.52 176.88 2dg5 n ASN 510 N -4.15 0.15 -4.77 4.18 3.02 -0.42 -4.75 115.26 108.52 2dg5 n ASN 510 Ca -0.05 0.20 -0.36 0.00 -0.03 0.00 0.00 54.58 54.34 2dg5 n ASN 510 Cb 0.56 -0.28 -0.01 0.00 -0.61 0.00 0.00 39.78 39.44 2dg5 n ASN 510 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2dg5 s ALA 511 N -2.93 2.90 0.71 5.41 0.00 -0.92 -5.00 121.76 121.93 2dg5 s ALA 511 Ca 0.15 0.89 -0.14 0.00 0.00 0.00 0.00 51.96 52.86 2dg5 s ALA 511 Cb 0.19 -3.37 0.03 0.00 0.00 0.00 0.00 23.12 19.97 2dg5 s ALA 511 CO 0.56 -0.66 1.13 -1.25 0.00 0.00 0.00 175.76 175.55 2dg5 s PRO 512 N -2.85 2.41 0.15 0.00 0.04 -1.26 -5.04 135.00 128.44 2dg5 s PRO 512 Ca 0.66 1.46 0.11 0.00 0.04 0.00 0.00 61.00 63.27 2dg5 s PRO 512 Cb -0.27 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.33 2dg5 s PRO 512 CO 0.32 -1.56 -0.26 1.03 0.04 0.00 0.00 177.00 176.57 2dg5 s ARG 513 N -4.22 1.45 0.22 4.56 0.52 -1.26 -5.03 118.95 115.19 2dg5 s ARG 513 Ca 0.68 -1.41 0.02 0.00 -0.52 0.00 0.00 55.73 54.51 2dg5 s ARG 513 Cb -0.22 -1.89 -0.05 0.00 0.52 0.00 0.00 34.95 33.31 2dg5 s ARG 513 CO 0.46 0.43 0.02 -0.59 0.02 0.00 0.00 175.30 175.64 2dg5 s PHE 514 N -1.27 1.46 -0.28 -0.53 -0.12 -1.26 -1.72 117.98 114.25 2dg5 s PHE 514 Ca 0.16 -1.01 -0.23 0.00 -0.05 0.00 0.00 56.93 55.81 2dg5 s PHE 514 Cb -0.09 -0.85 0.11 0.00 -0.63 0.00 0.00 43.02 41.56 2dg5 s PHE 514 CO 0.07 -0.16 0.90 -1.58 -0.05 0.00 0.00 175.22 174.40 2dg5 s HIS 515 N -3.56 -0.64 -0.06 3.49 2.46 0.12 -4.85 115.29 112.24 2dg5 s HIS 515 Ca 0.29 1.49 -0.01 0.00 0.47 0.00 0.00 55.06 57.30 2dg5 s HIS 515 Cb 0.06 0.36 0.03 0.00 -0.13 0.00 0.00 32.58 32.90 2dg5 s HIS 515 CO 0.08 -0.31 -0.01 -1.58 -2.47 0.00 0.00 174.74 170.45 2dg5 s HIS 516 N 0.57 0.66 -0.28 3.88 5.04 -1.26 -0.21 115.29 123.69 2dg5 s HIS 516 Ca -0.01 -0.17 0.09 0.00 -1.54 0.00 0.00 55.06 53.44 2dg5 s HIS 516 Cb -0.05 -0.75 0.49 0.00 0.04 0.00 0.00 32.58 32.32 2dg5 s HIS 516 CO -0.07 -0.29 1.43 0.00 -2.34 0.00 0.00 174.74 173.47 2dg5 n GLN 517 N 4.84 1.82 0.00 2.88 10.64 -1.26 -5.00 117.38 131.31 2dg5 n GLN 517 Ca -0.12 -3.19 0.00 0.00 -1.83 0.00 0.00 57.00 51.85 2dg5 n GLN 517 Cb 0.50 -1.79 0.00 0.00 -0.86 0.00 0.00 30.24 28.10 2dg5 n GLN 517 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.06 177.10 2dg5 n TRP 518 N -1.11 0.00 -4.21 2.61 -0.00 -1.26 -4.61 117.44 108.86 2dg5 n TRP 518 Ca 0.31 0.00 -0.29 0.00 -0.00 0.00 0.00 57.50 57.51 2dg5 n TRP 518 Cb 0.98 0.00 -0.17 0.00 -0.00 0.00 0.00 31.31 32.12 2dg5 n TRP 518 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2dg5 s LEU 519 N 0.00 1.69 0.64 5.87 1.02 -1.26 -2.56 118.68 124.08 2dg5 s LEU 519 Ca 0.00 -0.46 -0.16 0.00 0.02 0.00 0.00 54.13 53.53 2dg5 s LEU 519 Cb 0.00 -1.14 -0.01 0.00 0.02 0.00 0.00 46.19 45.06 2dg5 s LEU 519 CO 0.00 -0.03 1.13 -2.16 0.02 0.00 0.00 176.35 175.32 2dg5 s PRO 520 N 1.27 2.84 -1.18 1.29 0.04 -1.26 -4.66 135.00 133.34 2dg5 s PRO 520 Ca -0.00 1.51 -0.20 0.00 0.04 0.00 0.00 61.00 62.35 2dg5 s PRO 520 Cb -0.14 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.53 2dg5 s PRO 520 CO -0.07 -1.24 1.59 0.34 0.04 0.00 0.00 177.00 177.66 2dg5 s ASP 521 N -2.29 6.72 -0.10 6.66 3.68 -1.06 -4.52 116.67 125.76 2dg5 s ASP 521 Ca 0.70 -2.11 -0.17 0.00 2.13 0.00 0.00 52.55 53.09 2dg5 s ASP 521 Cb -0.23 -2.56 0.04 0.00 -1.45 0.00 0.00 42.92 38.73 2dg5 s ASP 521 CO 0.38 -1.26 0.43 -1.83 0.13 0.00 0.00 175.17 173.03 2dg5 s GLU 522 N 4.25 0.64 -0.67 4.34 -1.05 -1.26 -4.81 118.70 120.14 2dg5 s GLU 522 Ca 0.49 0.30 -0.17 0.00 -0.15 0.00 0.00 54.97 55.44 2dg5 s GLU 522 Cb 0.02 0.30 0.15 0.00 -0.44 0.00 0.00 34.13 34.15 2dg5 s GLU 522 CO 0.00 -0.14 0.70 -1.17 0.95 0.00 0.00 175.26 175.60 2dg5 s LEU 523 N -0.48 5.99 0.15 1.83 0.20 0.24 -4.49 118.68 122.12 2dg5 s LEU 523 Ca -0.06 -1.95 -0.30 0.00 0.69 0.00 0.00 54.13 52.51 2dg5 s LEU 523 Cb -0.03 -2.26 -0.07 0.00 -0.43 0.00 0.00 46.19 43.40 2dg5 s LEU 523 CO 0.03 -0.88 1.18 -0.60 -0.29 0.00 0.00 176.35 175.80 2dg5 s ARG 524 N 1.64 4.49 0.10 1.98 3.52 0.71 -1.48 118.95 129.92 2dg5 s ARG 524 Ca 0.13 1.82 0.04 0.00 -0.13 0.00 0.00 55.73 57.58 2dg5 s ARG 524 Cb -0.20 -3.28 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 2dg5 s ARG 524 CO -0.00 -0.11 -0.10 0.14 -0.81 0.00 0.00 175.30 174.41 2dg5 s VAL 525 N 0.25 0.98 0.53 7.11 -7.23 -0.26 0.13 120.40 121.91 2dg5 s VAL 525 Ca 0.54 -1.70 0.05 0.00 -1.81 0.00 0.00 61.98 59.05 2dg5 s VAL 525 Cb -0.31 -1.44 0.05 0.00 0.56 0.00 0.00 36.38 35.24 2dg5 s VAL 525 CO 0.34 -0.59 0.74 -1.61 -0.31 0.00 0.00 175.10 173.67 2dg5 s GLU 526 N -2.94 2.48 0.55 4.82 2.02 -0.70 -1.30 118.70 123.64 2dg5 s GLU 526 Ca 0.07 -1.12 -0.19 0.00 0.02 0.00 0.00 54.97 53.75 2dg5 s GLU 526 Cb -0.02 -2.58 -0.05 0.00 0.10 0.00 0.00 34.13 31.57 2dg5 s GLU 526 CO 0.00 -0.69 1.11 0.15 0.02 0.00 0.00 175.26 175.85 2dg5 s LYS 527 N -4.66 3.34 0.00 1.61 1.02 -1.26 -4.30 119.74 115.49 2dg5 s LYS 527 Ca 0.59 1.52 0.00 0.00 0.02 0.00 0.00 55.97 58.10 2dg5 s LYS 527 Cb -0.09 -2.01 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 2dg5 s LYS 527 CO 0.38 -0.84 0.00 0.41 -0.92 0.00 0.00 175.35 174.38 2dg5 n GLY 528 N -0.06 1.07 3.89 -3.33 0.00 -1.26 -4.81 105.19 100.70 2dg5 n GLY 528 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2dg5 n GLY 528 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2dg5 s PHE 529 N -1.53 3.57 0.38 1.61 0.08 -1.26 -4.87 117.98 115.95 2dg5 s PHE 529 Ca 0.00 0.49 -0.28 0.00 0.12 0.00 0.00 56.93 57.26 2dg5 s PHE 529 Cb 0.00 -1.93 -0.11 0.00 -0.57 0.00 0.00 43.02 40.42 2dg5 s PHE 529 CO 0.00 0.63 1.48 0.45 -0.10 0.00 0.00 175.22 177.68 2dg5 s SER 530 N -1.77 6.35 0.43 1.36 0.15 -1.26 -4.87 113.70 114.08 2dg5 s SER 530 Ca 0.27 3.03 0.11 0.00 0.70 0.00 0.00 55.95 60.06 2dg5 s SER 530 Cb -0.13 -2.67 0.94 0.00 -1.71 0.00 0.00 66.02 62.45 2dg5 s SER 530 CO 0.17 -0.87 2.01 -0.65 1.20 0.00 0.00 173.24 175.10 2dg5 h PRO 531 N 2.99 0.23 -0.63 5.44 0.11 -1.99 -0.88 132.00 137.27 2dg5 h PRO 531 Ca -0.51 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 2dg5 h PRO 531 Cb 1.24 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2dg5 h PRO 531 CO 0.64 0.26 0.10 -0.44 -0.21 0.00 0.00 178.00 178.36 2dg5 h ASP 532 N 0.22 1.00 -0.23 -2.05 3.32 -1.99 -1.35 116.42 115.34 2dg5 h ASP 532 Ca 0.05 -0.26 -0.11 0.00 0.02 0.00 0.00 57.03 56.73 2dg5 h ASP 532 Cb 0.18 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 2dg5 h ASP 532 CO 0.01 1.01 -0.28 0.74 -1.72 0.00 0.00 179.24 178.99 2dg5 h THR 533 N 0.96 1.32 -0.21 0.35 2.02 -1.68 -2.56 112.91 113.11 2dg5 h THR 533 Ca 0.19 -1.47 -0.06 0.00 0.77 0.00 0.00 66.41 65.84 2dg5 h THR 533 Cb 0.43 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 2dg5 h THR 533 CO 0.01 0.46 -0.12 -0.07 0.37 0.00 0.00 175.52 176.17 2dg5 h LEU 534 N 0.29 0.33 -0.53 2.58 3.38 -1.13 -1.15 115.31 119.07 2dg5 h LEU 534 Ca 0.03 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2dg5 h LEU 534 Cb 0.86 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2dg5 h LEU 534 CO 0.07 0.48 0.14 0.50 0.09 0.00 0.00 178.44 179.72 2dg5 h LYS 535 N 0.32 0.85 -0.66 1.13 3.64 -1.16 -1.24 116.57 119.45 2dg5 h LYS 535 Ca 0.06 -0.20 -0.08 0.00 -1.27 0.00 0.00 60.65 59.16 2dg5 h LYS 535 Cb 0.41 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 2dg5 h LYS 535 CO 0.02 0.79 0.08 -0.07 -2.27 0.00 0.00 179.45 178.01 2dg5 h LEU 536 N 0.75 1.07 -0.76 5.20 3.38 -0.98 -1.77 115.31 122.19 2dg5 h LEU 536 Ca 0.17 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 2dg5 h LEU 536 Cb 0.32 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2dg5 h LEU 536 CO -0.00 1.07 0.33 -0.07 0.09 0.00 0.00 178.44 179.86 2dg5 h LEU 537 N 1.03 1.03 -1.06 1.67 3.38 -0.96 -1.33 115.31 119.06 2dg5 h LEU 537 Ca 0.20 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2dg5 h LEU 537 Cb 0.48 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2dg5 h LEU 537 CO 0.02 0.90 -0.14 -0.33 0.09 0.00 0.00 178.44 178.98 2dg5 h GLU 538 N 1.09 0.51 0.00 1.13 5.08 -0.99 -1.47 114.58 119.92 2dg5 h GLU 538 Ca 0.26 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2dg5 h GLU 538 Cb 0.18 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2dg5 h GLU 538 CO -0.03 0.64 -0.19 0.00 -1.00 0.00 0.00 179.01 178.43 2dg5 h ALA 539 N 1.39 1.06 0.00 3.43 0.00 -0.68 -1.94 119.26 122.51 2dg5 h ALA 539 Ca 0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2dg5 h ALA 539 Cb 0.52 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2dg5 h ALA 539 CO 0.03 0.24 -0.11 1.63 0.00 0.00 0.00 179.25 181.04 2dg5 n LYS 540 N -3.40 0.01 0.00 0.00 5.02 -0.56 -4.91 118.16 114.32 2dg5 n LYS 540 Ca -0.00 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2dg5 n LYS 540 Cb 0.39 -1.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.88 2dg5 n LYS 540 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2dg5 n GLY 541 N 1.49 0.68 3.77 0.72 0.00 -0.73 -5.09 105.19 106.03 2dg5 n GLY 541 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.70 2dg5 n GLY 541 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dg5 s GLN 542 N -0.62 4.22 -0.80 1.61 -1.52 -0.64 -4.97 119.66 116.95 2dg5 s GLN 542 Ca 0.00 1.77 -0.11 0.00 -1.95 0.00 0.00 55.36 55.06 2dg5 s GLN 542 Cb 0.00 -2.78 0.21 0.00 -0.22 0.00 0.00 33.01 30.22 2dg5 s GLN 542 CO 0.00 -0.15 0.71 0.15 -0.25 0.00 0.00 175.29 175.75 2dg5 s LYS 543 N -2.13 3.41 0.08 2.91 -0.14 -1.26 -4.23 119.74 118.38 2dg5 s LYS 543 Ca 0.54 -2.52 -0.31 0.00 -1.36 0.00 0.00 55.97 52.33 2dg5 s LYS 543 Cb -0.29 -4.29 -0.07 0.00 -1.68 0.00 0.00 37.83 31.51 2dg5 s LYS 543 CO 0.37 -1.27 1.28 0.08 -0.76 0.00 0.00 175.35 175.06 2dg5 s VAL 544 N 0.05 3.72 -0.20 3.17 1.01 -1.26 -0.59 120.40 126.29 2dg5 s VAL 544 Ca 0.18 1.23 -0.01 0.00 0.00 0.00 0.00 61.98 63.38 2dg5 s VAL 544 Cb -0.12 -3.79 0.06 0.00 0.00 0.00 0.00 36.38 32.53 2dg5 s VAL 544 CO -0.08 0.09 -0.02 0.00 0.00 0.00 0.00 175.10 175.10 2dg5 s ALA 545 N 1.09 1.46 -0.22 5.51 0.00 -0.55 -4.91 121.76 124.15 2dg5 s ALA 545 Ca 0.61 -0.97 -0.29 0.00 0.00 0.00 0.00 51.96 51.31 2dg5 s ALA 545 Cb -0.33 -1.26 -0.00 0.00 0.00 0.00 0.00 23.12 21.53 2dg5 s ALA 545 CO 0.30 -1.10 1.16 -1.17 0.00 0.00 0.00 175.76 174.95 2dg5 s LEU 546 N 1.64 4.10 0.00 0.00 2.96 -1.26 -1.10 118.68 125.01 2dg5 s LEU 546 Ca -0.02 1.46 0.03 0.00 -0.22 0.00 0.00 54.13 55.38 2dg5 s LEU 546 Cb -0.17 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 42.97 2dg5 s LEU 546 CO -0.07 -0.77 0.11 0.29 -1.32 0.00 0.00 176.35 174.58 2dg5 n LYS 547 N 6.60 0.52 -1.10 1.98 5.02 -0.42 -4.94 118.16 125.81 2dg5 n LYS 547 Ca 0.13 -1.78 -0.34 0.00 -2.02 0.00 0.00 58.31 54.29 2dg5 n LYS 547 Cb 0.46 1.18 0.10 0.00 -0.02 0.00 0.00 35.03 36.75 2dg5 n LYS 547 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2dg5 n GLU 548 N -0.42 0.14 0.00 1.97 1.02 -1.26 -4.53 120.64 117.56 2dg5 n GLU 548 Ca -0.00 0.10 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2dg5 n GLU 548 Cb 0.32 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.65 2dg5 n GLU 548 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dg5 n ALA 549 N -3.01 0.00 0.00 0.62 0.00 -1.26 -4.81 120.51 112.06 2dg5 n ALA 549 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2dg5 n ALA 549 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 2dg5 n ALA 549 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dg5 n GLY 551 N 0.00 0.00 2.82 0.00 0.00 -1.26 -5.14 105.19 101.61 2dg5 n GLY 551 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 2dg5 n GLY 551 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dg5 s SER 552 N 0.00 -0.95 0.29 1.61 0.15 -1.26 -4.75 113.70 108.79 2dg5 s SER 552 Ca 0.00 -1.66 -0.29 0.00 0.70 0.00 0.00 55.95 54.70 2dg5 s SER 552 Cb 0.00 1.55 -0.09 0.00 -1.71 0.00 0.00 66.02 65.77 2dg5 s SER 552 CO 0.00 -0.11 1.06 0.42 1.20 0.00 0.00 173.24 175.81 2dg5 s THR 553 N 1.04 3.64 -0.28 6.45 -4.23 -1.26 -4.34 115.64 116.67 2dg5 s THR 553 Ca 0.26 1.60 -0.02 0.00 -1.18 0.00 0.00 61.69 62.35 2dg5 s THR 553 Cb -0.02 -4.00 0.09 0.00 1.34 0.00 0.00 72.50 69.92 2dg5 s THR 553 CO -0.07 0.34 0.10 -1.10 -0.54 0.00 0.00 174.62 173.35 2dg5 s GLN 554 N -1.53 0.49 0.22 3.99 -1.52 -1.24 -2.10 119.66 117.98 2dg5 s GLN 554 Ca 0.45 -0.74 0.07 0.00 -1.95 0.00 0.00 55.36 53.19 2dg5 s GLN 554 Cb -0.29 -1.69 -0.05 0.00 -0.22 0.00 0.00 33.01 30.75 2dg5 s GLN 554 CO 0.37 -0.94 -0.11 -1.12 -0.25 0.00 0.00 175.29 173.24 2dg5 s SER 555 N 1.85 2.55 0.13 5.90 0.01 -0.81 -4.11 113.70 119.22 2dg5 s SER 555 Ca 0.08 -1.08 0.03 0.00 1.31 0.00 0.00 55.95 56.28 2dg5 s SER 555 Cb -0.17 -0.13 -0.01 0.00 0.21 0.00 0.00 66.02 65.92 2dg5 s SER 555 CO -0.27 -0.25 0.10 -0.38 0.41 0.00 0.00 173.24 172.86 2dg5 n ILE 556 N -0.43 0.00 -3.66 1.44 5.41 -0.31 -1.64 119.36 120.17 2dg5 n ILE 556 Ca -0.07 -0.93 -0.07 0.00 1.00 0.00 0.00 62.75 62.67 2dg5 n ILE 556 Cb 0.61 0.44 -0.08 0.00 -0.71 0.00 0.00 39.64 39.90 2dg5 n ILE 556 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2dg5 s VAL 558 N -2.44 -0.58 0.92 1.39 1.01 0.51 -0.44 120.40 120.77 2dg5 s VAL 558 Ca 0.14 0.11 -0.12 0.00 0.00 0.00 0.00 61.98 62.11 2dg5 s VAL 558 Cb 0.01 -0.75 0.14 0.00 0.00 0.00 0.00 36.38 35.78 2dg5 s VAL 558 CO 0.10 0.05 1.10 -0.83 0.00 0.00 0.00 175.10 175.51 2dg5 s GLY 559 N 2.42 1.60 0.45 4.51 0.00 0.14 -4.76 107.32 111.68 2dg5 s GLY 559 Ca -0.04 -0.20 0.11 0.00 0.00 0.00 0.00 44.72 44.59 2dg5 s GLY 559 CO -0.14 0.32 2.07 -0.56 0.00 0.00 0.00 173.10 174.79 2dg5 h PRO 560 N -1.62 0.25 -0.01 2.90 0.13 -1.99 -1.02 132.00 130.64 2dg5 h PRO 560 Ca -0.51 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2dg5 h PRO 560 Cb 1.30 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2dg5 h PRO 560 CO 0.56 0.20 -0.02 -0.25 -0.23 0.00 0.00 178.00 178.27 2dg5 n ASP 561 N -4.47 1.43 0.00 1.44 8.00 -1.26 -4.92 116.55 116.77 2dg5 n ASP 561 Ca -0.00 -1.44 0.00 0.00 0.71 0.00 0.00 54.79 54.06 2dg5 n ASP 561 Cb 0.11 0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 2dg5 n ASP 561 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dg5 n GLY 562 N 1.19 0.24 3.74 0.44 0.00 -0.39 -5.07 105.19 105.34 2dg5 n GLY 562 Ca 0.19 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.87 2dg5 n GLY 562 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2dg5 s GLU 563 N -0.96 2.41 -0.06 1.61 1.03 -1.26 -4.62 118.70 116.85 2dg5 s GLU 563 Ca 0.00 1.66 0.01 0.00 0.03 0.00 0.00 54.97 56.67 2dg5 s GLU 563 Cb 0.00 -1.88 -0.03 0.00 -0.80 0.00 0.00 34.13 31.42 2dg5 s GLU 563 CO 0.00 -1.61 -0.07 -0.51 -1.33 0.00 0.00 175.26 171.74 2dg5 s LEU 564 N -4.97 3.17 -0.05 1.83 1.43 -1.26 0.25 118.68 119.09 2dg5 s LEU 564 Ca 0.72 -0.04 0.03 0.00 -1.03 0.00 0.00 54.13 53.82 2dg5 s LEU 564 Cb -0.27 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.25 2dg5 s LEU 564 CO 0.43 0.35 -0.14 -0.31 0.23 0.00 0.00 176.35 176.91 2dg5 s TYR 565 N -0.83 1.51 0.14 0.29 2.02 -1.26 -4.97 117.35 114.24 2dg5 s TYR 565 Ca 0.13 -0.46 -0.00 0.00 -0.37 0.00 0.00 57.07 56.36 2dg5 s TYR 565 Cb -0.11 -1.05 -0.04 0.00 -0.40 0.00 0.00 41.96 40.36 2dg5 s TYR 565 CO 0.02 -0.19 0.04 0.20 -1.57 0.00 0.00 175.55 174.06 2dg5 s GLY 566 N 0.25 1.05 -0.23 0.71 0.00 -1.26 -4.29 107.32 103.54 2dg5 s GLY 566 Ca -0.07 -1.50 -0.16 0.00 0.00 0.00 0.00 44.72 42.99 2dg5 s GLY 566 CO 0.02 -1.40 0.59 0.00 0.00 0.00 0.00 173.10 172.32 2dg5 s ALA 567 N -3.96 -1.55 0.19 3.20 0.00 -0.65 -4.71 121.76 114.28 2dg5 s ALA 567 Ca 0.24 1.96 0.04 0.00 0.00 0.00 0.00 51.96 54.20 2dg5 s ALA 567 Cb 0.07 -1.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 2dg5 s ALA 567 CO 0.02 -0.32 0.31 -1.12 0.00 0.00 0.00 175.76 174.66 2dg5 s SER 568 N 1.12 6.33 0.15 0.00 0.01 -1.26 -1.92 113.70 118.12 2dg5 s SER 568 Ca -0.06 0.13 -0.30 0.00 1.31 0.00 0.00 55.95 57.02 2dg5 s SER 568 Cb -0.06 -1.89 -0.07 0.00 0.21 0.00 0.00 66.02 64.22 2dg5 s SER 568 CO -0.11 0.00 1.04 -0.62 0.41 0.00 0.00 173.24 173.97 2dg5 s ASP 569 N -3.54 7.36 0.57 2.44 -1.08 -0.89 -4.93 116.67 116.59 2dg5 s ASP 569 Ca 0.34 1.96 0.35 0.00 -0.52 0.00 0.00 52.55 54.68 2dg5 s ASP 569 Cb -0.10 -2.60 1.59 0.00 -1.46 0.00 0.00 42.92 40.35 2dg5 s ASP 569 CO 0.29 -0.16 2.07 1.55 0.52 0.00 0.00 175.17 179.44 2dg5 h PRO 570 N 5.36 0.00 0.00 4.34 0.13 -1.92 -2.71 132.00 137.20 2dg5 h PRO 570 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2dg5 h PRO 570 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2dg5 h PRO 570 CO 0.72 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.53 2dg5 h ARG 571 N 0.00 0.00 -5.07 0.86 3.08 -1.92 -3.41 114.38 107.92 2dg5 h ARG 571 Ca -0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 2dg5 h ARG 571 Cb 0.39 0.00 -0.33 0.00 0.08 0.00 0.00 29.97 30.11 2dg5 h ARG 571 CO 0.00 0.00 -0.83 -1.54 -1.07 0.00 0.00 179.97 176.54 2dg5 s SER 572 N -5.30 3.41 0.55 7.04 1.04 -1.02 -5.06 113.70 114.36 2dg5 s SER 572 Ca 0.01 -0.58 -0.09 0.00 0.48 0.00 0.00 55.95 55.78 2dg5 s SER 572 Cb 0.09 -1.54 -0.04 0.00 0.10 0.00 0.00 66.02 64.63 2dg5 s SER 572 CO 0.49 0.01 0.91 0.68 0.98 0.00 0.00 173.24 176.31 2dg5 s VAL 573 N 1.26 4.79 -1.22 5.02 -7.23 -1.26 -4.11 120.40 117.64 2dg5 s VAL 573 Ca 0.03 0.59 0.00 0.00 -1.81 0.00 0.00 61.98 60.79 2dg5 s VAL 573 Cb -0.14 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 32.95 2dg5 s VAL 573 CO -0.09 -0.97 0.00 0.47 -0.31 0.00 0.00 175.10 174.20 2dg5 n ASP 574 N -2.42 -5.04 -4.64 4.85 8.00 -1.26 -5.01 116.55 111.04 2dg5 n ASP 574 Ca 0.03 0.28 -0.24 0.00 0.71 0.00 0.00 54.79 55.58 2dg5 n ASP 574 Cb 0.54 -3.55 0.12 0.00 -0.02 0.00 0.00 41.12 38.21 2dg5 n ASP 574 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 2dg5 s ASP 575 N -2.59 4.22 -0.25 -2.24 -4.77 -1.26 -5.12 116.67 104.66 2dg5 s ASP 575 Ca 0.00 -0.50 -0.26 0.00 -3.30 0.00 0.00 52.55 48.49 2dg5 s ASP 575 Cb 0.00 0.21 0.12 0.00 -1.09 0.00 0.00 42.92 42.15 2dg5 s ASP 575 CO 0.00 -1.96 0.99 -0.22 0.70 0.00 0.00 175.17 174.68 2dg5 s LEU 576 N -5.17 -0.46 -0.14 2.11 2.96 -1.26 -5.08 118.68 111.64 2dg5 s LEU 576 Ca 0.68 0.82 0.02 0.00 -0.22 0.00 0.00 54.13 55.42 2dg5 s LEU 576 Cb -0.04 1.95 0.02 0.00 0.50 0.00 0.00 46.19 48.61 2dg5 s LEU 576 CO 0.45 -0.21 -0.18 -0.89 -1.32 0.00 0.00 176.35 174.20 2dg5 s THR 577 N -0.07 1.77 0.12 3.68 2.01 -1.26 -4.94 115.64 116.95 2dg5 s THR 577 Ca 0.01 -0.79 -0.10 0.00 0.31 0.00 0.00 61.69 61.12 2dg5 s THR 577 Cb -0.04 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.87 2dg5 s THR 577 CO -0.04 0.49 0.27 0.00 -0.69 0.00 0.00 174.62 174.66 2dg5 s ALA 578 N 1.08 -0.31 0.00 7.40 0.00 -1.26 -4.99 121.76 123.67 2dg5 s ALA 578 Ca -0.03 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.35 2dg5 s ALA 578 Cb -0.14 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.63 2dg5 s ALA 578 CO -0.05 -0.59 0.00 0.41 0.00 0.00 0.00 175.76 175.53 2dg5 n GLY 579 N -0.15 3.18 0.00 0.00 0.00 -1.26 -5.13 105.19 101.83 2dg5 n GLY 579 Ca -0.13 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2dg5 n GLY 579 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90