#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qm6 s THR 381 N 0.00 0.06 -0.02 12.58 -1.32 -0.84 -4.67 115.64 121.43 2qm6 s THR 381 Ca 0.00 -0.49 0.07 0.00 -1.21 0.00 0.00 61.69 60.06 2qm6 s THR 381 Cb 0.00 -0.52 -0.02 0.00 -1.51 0.00 0.00 72.50 70.45 2qm6 s THR 381 CO 0.00 -0.27 -0.23 -2.28 -2.21 0.00 0.00 174.62 169.64 2qm6 s HIS 382 N -1.15 2.07 0.07 9.09 5.04 -1.26 -1.66 115.29 127.48 2qm6 s HIS 382 Ca -0.12 -0.43 0.02 0.00 -1.54 0.00 0.00 55.06 52.99 2qm6 s HIS 382 Cb -0.06 -1.34 -0.03 0.00 0.04 0.00 0.00 32.58 31.19 2qm6 s HIS 382 CO 0.03 -0.06 -0.08 1.52 -2.34 0.00 0.00 174.74 173.80 2qm6 s TYR 383 N -0.46 0.82 -0.03 3.88 1.13 0.50 -4.56 117.35 118.64 2qm6 s TYR 383 Ca 0.07 -0.63 0.03 0.00 -1.41 0.00 0.00 57.07 55.13 2qm6 s TYR 383 Cb -0.10 -0.48 0.00 0.00 -1.10 0.00 0.00 41.96 40.29 2qm6 s TYR 383 CO -0.00 -0.08 -0.12 -1.12 -2.51 0.00 0.00 175.55 171.72 2qm6 s SER 384 N -2.11 1.53 -0.02 -0.18 0.01 -1.26 -1.09 113.70 110.58 2qm6 s SER 384 Ca -0.01 -0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.02 2qm6 s SER 384 Cb -0.05 -0.43 0.01 0.00 0.21 0.00 0.00 66.02 65.76 2qm6 s SER 384 CO -0.01 0.09 -0.05 -0.69 0.41 0.00 0.00 173.24 172.99 2qm6 s VAL 385 N 0.17 0.48 -0.02 3.43 1.01 -0.02 -4.97 120.40 120.48 2qm6 s VAL 385 Ca -0.04 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.75 2qm6 s VAL 385 Cb -0.10 -0.45 0.02 0.00 0.00 0.00 0.00 36.38 35.85 2qm6 s VAL 385 CO 0.01 0.17 0.01 0.00 0.00 0.00 0.00 175.10 175.28 2qm6 s ALA 386 N 0.26 0.18 0.52 5.51 0.00 -1.26 -0.72 121.76 126.24 2qm6 s ALA 386 Ca -0.03 0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.14 2qm6 s ALA 386 Cb -0.07 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.85 2qm6 s ALA 386 CO -0.00 -0.06 0.27 0.16 0.00 0.00 0.00 175.76 176.13 2qm6 s ASP 387 N 0.76 4.48 0.17 0.00 1.47 -0.79 -5.03 116.67 117.73 2qm6 s ASP 387 Ca -0.07 -1.32 0.24 0.00 1.18 0.00 0.00 52.55 52.57 2qm6 s ASP 387 Cb -0.10 0.31 0.91 0.00 -0.34 0.00 0.00 42.92 43.70 2qm6 s ASP 387 CO -0.02 -0.96 1.73 -2.11 0.68 0.00 0.00 175.17 174.49 2qm6 n ARG 388 N -1.56 0.16 0.00 2.11 1.85 -1.26 -2.64 116.66 115.32 2qm6 n ARG 388 Ca -0.06 0.27 0.12 0.00 -1.00 0.00 0.00 57.85 57.18 2qm6 n ARG 388 Cb 0.65 -1.75 0.31 0.00 -1.05 0.00 0.00 32.46 30.62 2qm6 n ARG 388 CO 0.00 0.00 0.00 0.91 -0.01 0.00 0.00 177.63 178.53 2qm6 n TRP 389 N -2.04 0.00 0.00 2.89 8.01 -1.26 -4.94 117.44 120.09 2qm6 n TRP 389 Ca 0.04 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.23 2qm6 n TRP 389 Cb 0.30 -0.27 0.00 0.00 -2.01 0.00 0.00 31.31 29.33 2qm6 n TRP 389 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2qm6 n GLY 390 N 1.49 0.85 3.81 6.99 0.00 -1.08 -5.09 105.19 112.15 2qm6 n GLY 390 Ca 0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 2qm6 n GLY 390 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qm6 s ASN 391 N -2.27 6.73 -0.01 1.61 0.01 -1.26 -4.82 114.94 114.93 2qm6 s ASN 391 Ca 0.00 1.80 -0.01 0.00 -0.71 0.00 0.00 52.86 53.94 2qm6 s ASN 391 Cb 0.00 -2.55 -0.00 0.00 0.41 0.00 0.00 41.25 39.11 2qm6 s ASN 391 CO 0.00 -0.50 0.03 0.00 -1.51 0.00 0.00 177.10 175.11 2qm6 s ALA 392 N -2.06 -0.06 -0.06 0.60 0.00 -1.26 -1.89 121.76 117.03 2qm6 s ALA 392 Ca 0.63 -0.02 0.01 0.00 0.00 0.00 0.00 51.96 52.58 2qm6 s ALA 392 Cb -0.13 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.00 2qm6 s ALA 392 CO 0.17 -0.04 -0.06 0.08 0.00 0.00 0.00 175.76 175.91 2qm6 s VAL 393 N -0.24 0.69 -0.20 0.00 1.01 0.10 -5.01 120.40 116.75 2qm6 s VAL 393 Ca -0.03 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.79 2qm6 s VAL 393 Cb -0.02 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.68 2qm6 s VAL 393 CO -0.00 0.27 -0.16 -0.55 0.00 0.00 0.00 175.10 174.66 2qm6 s SER 394 N 1.12 3.43 -0.14 3.32 0.15 -1.26 -0.84 113.70 119.47 2qm6 s SER 394 Ca -0.07 -0.84 0.01 0.00 0.70 0.00 0.00 55.95 55.75 2qm6 s SER 394 Cb -0.14 -1.44 0.02 0.00 -1.71 0.00 0.00 66.02 62.75 2qm6 s SER 394 CO -0.01 -0.07 -0.16 -0.69 1.20 0.00 0.00 173.24 173.52 2qm6 s VAL 395 N 1.28 1.64 -0.15 4.45 1.01 -0.25 -4.78 120.40 123.60 2qm6 s VAL 395 Ca 0.01 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.29 2qm6 s VAL 395 Cb -0.15 -1.51 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 2qm6 s VAL 395 CO -0.10 0.47 -0.14 -0.89 0.00 0.00 0.00 175.10 174.44 2qm6 s THR 396 N 1.24 2.83 0.19 3.92 2.01 -1.26 -0.37 115.64 124.20 2qm6 s THR 396 Ca -0.00 -0.72 -0.05 0.00 0.31 0.00 0.00 61.69 61.22 2qm6 s THR 396 Cb -0.14 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 2qm6 s THR 396 CO -0.07 0.51 0.23 -0.72 -0.69 0.00 0.00 174.62 173.88 2qm6 s TYR 397 N 0.67 0.77 -0.07 4.92 1.13 -0.67 -5.01 117.35 119.10 2qm6 s TYR 397 Ca -0.07 -1.08 -0.31 0.00 -1.41 0.00 0.00 57.07 54.20 2qm6 s TYR 397 Cb -0.16 -0.27 0.12 0.00 -1.10 0.00 0.00 41.96 40.55 2qm6 s TYR 397 CO 0.02 -0.72 0.99 -0.08 -2.51 0.00 0.00 175.55 173.26 2qm6 s THR 398 N -4.07 0.00 -0.63 -3.49 -1.32 -1.26 -1.98 115.64 102.88 2qm6 s THR 398 Ca 0.28 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 60.89 2qm6 s THR 398 Cb 0.05 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.44 2qm6 s THR 398 CO 0.07 0.00 1.33 2.30 -2.21 0.00 0.00 174.62 176.11 2qm6 n ILE 399 N -0.11 1.53 0.00 5.08 -5.35 -1.26 -4.97 119.36 114.28 2qm6 n ILE 399 Ca -0.06 -1.35 0.00 0.00 -0.27 0.00 0.00 62.75 61.07 2qm6 n ILE 399 Cb 0.60 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.70 2qm6 n ILE 399 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 2qm6 n ASN 400 N 0.13 0.00 -4.55 7.28 5.15 -1.26 -1.40 115.26 120.61 2qm6 n ASN 400 Ca 0.16 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.85 2qm6 n ASN 400 Cb 0.62 0.00 0.22 0.00 -0.53 0.00 0.00 39.78 40.09 2qm6 n ASN 400 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qm6 s ALA 401 N -1.11 0.16 -0.00 5.20 0.00 -1.26 -3.92 121.76 120.83 2qm6 s ALA 401 Ca 0.00 0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 2qm6 s ALA 401 Cb 0.00 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 2qm6 s ALA 401 CO 0.00 -3.48 1.89 0.45 0.00 0.00 0.00 175.76 174.62 2qm6 s SER 402 N -2.60 6.45 -1.09 0.00 0.15 -1.26 -0.35 113.70 115.01 2qm6 s SER 402 Ca 0.68 2.50 0.00 0.00 0.70 0.00 0.00 55.95 59.83 2qm6 s SER 402 Cb -0.24 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 2qm6 s SER 402 CO 0.62 -1.07 0.00 -1.22 1.20 0.00 0.00 173.24 172.77 2qm6 n TYR 403 N 7.67 0.00 -1.62 3.44 4.01 -1.26 -4.83 117.16 124.57 2qm6 n TYR 403 Ca 0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.94 2qm6 n TYR 403 Cb 0.42 -2.07 0.00 0.00 -0.31 0.00 0.00 39.34 37.38 2qm6 n TYR 403 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qm6 n GLY 404 N -1.36 3.39 0.00 2.72 0.00 0.53 -1.17 105.19 109.30 2qm6 n GLY 404 Ca -0.10 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 45.84 2qm6 n GLY 404 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qm6 n SER 405 N 3.59 0.00 0.00 1.61 3.41 -0.22 -4.51 113.62 117.50 2qm6 n SER 405 Ca 0.00 0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.66 2qm6 n SER 405 Cb 0.00 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 63.64 2qm6 n SER 405 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qm6 n ALA 406 N -1.31 0.00 -2.80 7.33 0.00 -0.32 -4.99 120.51 118.42 2qm6 n ALA 406 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.19 2qm6 n ALA 406 Cb 0.18 -0.56 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 2qm6 n ALA 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qm6 s ALA 407 N -2.33 3.50 0.18 0.00 0.00 -1.26 -5.00 121.76 116.84 2qm6 s ALA 407 Ca 0.00 -0.73 0.05 0.00 0.00 0.00 0.00 51.96 51.28 2qm6 s ALA 407 Cb 0.00 -1.92 -0.04 0.00 0.00 0.00 0.00 23.12 21.16 2qm6 s ALA 407 CO 0.00 0.27 0.16 -1.12 0.00 0.00 0.00 175.76 175.07 2qm6 s SER 408 N 0.08 5.59 -0.36 0.00 0.01 -1.26 -0.42 113.70 117.34 2qm6 s SER 408 Ca 0.06 -0.12 -0.28 0.00 1.31 0.00 0.00 55.95 56.92 2qm6 s SER 408 Cb -0.12 -1.48 0.02 0.00 0.21 0.00 0.00 66.02 64.65 2qm6 s SER 408 CO 0.00 0.05 1.03 -0.63 0.41 0.00 0.00 173.24 174.10 2qm6 s ILE 409 N -1.80 4.49 0.19 1.44 -1.09 -0.27 -4.91 121.20 119.24 2qm6 s ILE 409 Ca 0.31 1.44 -0.32 0.00 -2.23 0.00 0.00 60.65 59.86 2qm6 s ILE 409 Cb -0.10 -4.42 -0.11 0.00 -1.58 0.00 0.00 42.46 36.25 2qm6 s ILE 409 CO 0.24 -0.59 1.67 -0.62 -1.23 0.00 0.00 174.94 174.42 2qm6 s ASP 410 N 1.87 6.45 0.00 3.58 2.15 -1.26 -1.40 116.67 128.06 2qm6 s ASP 410 Ca 0.43 2.78 0.00 0.00 0.43 0.00 0.00 52.55 56.19 2qm6 s ASP 410 Cb -0.11 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.91 2qm6 s ASP 410 CO 0.19 -0.93 0.00 0.61 -0.17 0.00 0.00 175.17 174.88 2qm6 n GLY 411 N 3.91 1.68 0.00 2.66 0.00 -1.26 -4.85 105.19 107.33 2qm6 n GLY 411 Ca 0.15 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.19 2qm6 n GLY 411 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qm6 n ALA 412 N -1.03 2.12 -1.00 4.61 0.00 -0.50 -5.04 120.51 119.67 2qm6 n ALA 412 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2qm6 n ALA 412 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.36 2qm6 n ALA 412 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qm6 n GLY 413 N 2.25 0.50 3.37 0.00 0.00 -1.04 -5.00 105.19 105.27 2qm6 n GLY 413 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2qm6 n GLY 413 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qm6 s PHE 414 N -2.02 2.26 0.21 1.61 -0.12 -1.26 -4.98 117.98 113.67 2qm6 s PHE 414 Ca 0.00 -0.39 -0.30 0.00 -0.05 0.00 0.00 56.93 56.19 2qm6 s PHE 414 Cb 0.00 -1.25 -0.08 0.00 -0.63 0.00 0.00 43.02 41.06 2qm6 s PHE 414 CO 0.00 0.28 1.04 -0.51 -0.05 0.00 0.00 175.22 175.98 2qm6 s LEU 415 N -1.86 4.54 0.26 -1.99 1.43 -1.26 -1.12 118.68 118.68 2qm6 s LEU 415 Ca 0.13 2.05 -0.29 0.00 -1.03 0.00 0.00 54.13 54.99 2qm6 s LEU 415 Cb -0.10 -3.61 -0.09 0.00 0.03 0.00 0.00 46.19 42.42 2qm6 s LEU 415 CO 0.05 -0.09 0.95 -0.76 0.23 0.00 0.00 176.35 176.73 2qm6 s LEU 416 N -0.75 4.59 0.83 1.79 1.43 0.44 -4.94 118.68 122.08 2qm6 s LEU 416 Ca 0.46 1.94 -0.11 0.00 -1.03 0.00 0.00 54.13 55.39 2qm6 s LEU 416 Cb -0.28 -3.68 0.09 0.00 0.03 0.00 0.00 46.19 42.35 2qm6 s LEU 416 CO 0.35 0.11 1.14 0.54 0.23 0.00 0.00 176.35 178.71 2qm6 s ASN 417 N -1.24 3.73 -0.52 2.29 2.20 -1.26 -1.06 114.94 119.08 2qm6 s ASN 417 Ca 0.43 2.10 0.03 0.00 -0.94 0.00 0.00 52.86 54.48 2qm6 s ASN 417 Cb -0.25 -2.56 0.42 0.00 -2.00 0.00 0.00 41.25 36.86 2qm6 s ASN 417 CO 0.31 -2.56 1.43 -0.46 -2.94 0.00 0.00 177.10 172.87 2qm6 n ASN 418 N -3.67 5.69 0.21 3.54 6.94 -0.49 -4.00 115.26 123.48 2qm6 n ASN 418 Ca 0.11 -3.76 0.15 0.00 -0.02 0.00 0.00 54.58 51.06 2qm6 n ASN 418 Cb 0.52 -0.62 0.63 0.00 -2.36 0.00 0.00 39.78 37.95 2qm6 n ASN 418 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 2qm6 h GLU 419 N 2.50 0.00 0.00 -3.83 4.57 -1.94 -2.67 114.58 113.22 2qm6 h GLU 419 Ca 0.41 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.59 2qm6 h GLU 419 Cb 0.87 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.46 2qm6 h GLU 419 CO 1.04 0.00 -0.01 0.52 -1.18 0.00 0.00 179.01 179.38 2qm6 h MET 420 N 0.00 0.00 0.00 1.92 2.86 -1.97 -1.18 114.93 116.56 2qm6 h MET 420 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qm6 h MET 420 Cb 0.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2qm6 h MET 420 CO 0.00 0.01 0.00 -3.47 1.06 0.00 0.00 176.91 174.51 2qm6 n ASP 421 N -3.60 0.25 0.08 1.22 2.03 -1.01 -1.91 116.55 113.62 2qm6 n ASP 421 Ca -0.03 0.56 0.13 0.00 0.52 0.00 0.00 54.79 55.98 2qm6 n ASP 421 Cb 0.09 -0.62 0.46 0.00 -0.72 0.00 0.00 41.12 40.34 2qm6 n ASP 421 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2qm6 n ASP 422 N -1.78 0.60 -4.78 1.67 8.00 -0.45 -4.65 116.55 115.17 2qm6 n ASP 422 Ca 0.03 0.56 -0.30 0.00 0.71 0.00 0.00 54.79 55.78 2qm6 n ASP 422 Cb 0.19 -0.72 0.09 0.00 -0.02 0.00 0.00 41.12 40.66 2qm6 n ASP 422 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2qm6 s PHE 423 N -3.08 2.74 -0.37 1.24 0.08 -0.80 -3.89 117.98 113.90 2qm6 s PHE 423 Ca 0.11 1.35 -0.27 0.00 0.12 0.00 0.00 56.93 58.25 2qm6 s PHE 423 Cb 0.14 -3.04 0.02 0.00 -0.57 0.00 0.00 43.02 39.56 2qm6 s PHE 423 CO 0.57 -1.75 0.96 0.45 -0.10 0.00 0.00 175.22 175.35 2qm6 s SER 424 N -3.65 6.72 0.03 1.36 0.15 -0.02 -4.90 113.70 113.39 2qm6 s SER 424 Ca 0.61 0.66 0.25 0.00 0.70 0.00 0.00 55.95 58.17 2qm6 s SER 424 Cb -0.16 -2.48 0.58 0.00 -1.71 0.00 0.00 66.02 62.25 2qm6 s SER 424 CO 0.55 -0.88 1.47 2.30 1.20 0.00 0.00 173.24 177.88 2qm6 n ILE 425 N 6.00 0.08 -3.64 6.45 -5.35 -1.26 -4.06 119.36 117.58 2qm6 n ILE 425 Ca 0.08 -0.06 -0.06 0.00 -0.27 0.00 0.00 62.75 62.44 2qm6 n ILE 425 Cb 0.48 0.05 -0.07 0.00 -1.74 0.00 0.00 39.64 38.36 2qm6 n ILE 425 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2qm6 s LYS 426 N -3.04 0.56 0.11 6.28 2.20 -1.26 -5.03 119.74 119.57 2qm6 s LYS 426 Ca 0.10 0.92 -0.35 0.00 -0.36 0.00 0.00 55.97 56.29 2qm6 s LYS 426 Cb 0.17 0.14 -0.14 0.00 -1.51 0.00 0.00 37.83 36.49 2qm6 s LYS 426 CO 0.68 -0.11 1.55 -2.30 -0.36 0.00 0.00 175.35 174.81 2qm6 n PRO 427 N 3.76 1.91 -0.30 4.03 -0.02 -1.26 -1.21 135.00 141.91 2qm6 n PRO 427 Ca -0.18 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 61.99 2qm6 n PRO 427 Cb 0.58 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 2qm6 n PRO 427 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qm6 n GLY 428 N 3.32 1.99 3.68 -1.23 0.00 -0.82 -5.00 105.19 107.12 2qm6 n GLY 428 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2qm6 n GLY 428 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qm6 s ASN 429 N -3.46 6.93 0.11 1.61 3.84 -0.35 -4.90 114.94 118.72 2qm6 s ASN 429 Ca 0.00 1.94 -0.30 0.00 0.21 0.00 0.00 52.86 54.71 2qm6 s ASN 429 Cb 0.00 -2.55 -0.06 0.00 -0.55 0.00 0.00 41.25 38.08 2qm6 s ASN 429 CO 0.00 -0.69 1.09 -2.16 -2.79 0.00 0.00 177.10 172.55 2qm6 s PRO 430 N 2.62 4.57 0.00 0.43 0.04 -1.26 -4.54 135.00 136.85 2qm6 s PRO 430 Ca 0.60 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.29 2qm6 s PRO 430 Cb -0.27 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 30.93 2qm6 s PRO 430 CO 0.23 -0.00 0.00 0.27 0.04 0.00 0.00 177.00 177.54 2qm6 n ASN 431 N 3.03 0.00 0.28 6.66 6.94 -0.52 -4.80 115.26 126.85 2qm6 n ASN 431 Ca 0.05 -0.55 0.18 0.00 -0.02 0.00 0.00 54.58 54.24 2qm6 n ASN 431 Cb 0.47 0.00 0.95 0.00 -2.36 0.00 0.00 39.78 38.85 2qm6 n ASN 431 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 2qm6 h LEU 432 N 0.00 0.00 -2.91 -4.53 3.38 -1.90 -0.65 115.31 108.70 2qm6 h LEU 432 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qm6 h LEU 432 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qm6 h LEU 432 CO 0.00 0.00 0.00 -1.22 0.09 0.00 0.00 178.44 177.31 2qm6 n TYR 433 N -3.46 0.55 -1.04 1.13 4.01 -1.26 -4.96 117.16 112.12 2qm6 n TYR 433 Ca -0.01 -0.53 -0.01 0.00 -0.16 0.00 0.00 57.90 57.18 2qm6 n TYR 433 Cb 0.22 -0.05 -0.01 0.00 -0.31 0.00 0.00 39.34 39.19 2qm6 n TYR 433 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2qm6 n GLY 434 N 0.50 0.51 3.80 2.72 0.00 -0.25 -4.75 105.19 107.72 2qm6 n GLY 434 Ca 0.13 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 2qm6 n GLY 434 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qm6 s LEU 435 N -0.34 4.26 0.28 0.99 1.43 -1.26 -4.66 118.68 119.38 2qm6 s LEU 435 Ca 0.00 1.67 0.06 0.00 -1.03 0.00 0.00 54.13 54.83 2qm6 s LEU 435 Cb 0.00 -3.99 -0.06 0.00 0.03 0.00 0.00 46.19 42.17 2qm6 s LEU 435 CO 0.00 -0.10 -0.03 0.68 0.23 0.00 0.00 176.35 177.13 2qm6 s VAL 436 N -1.70 1.49 0.21 -1.59 -7.23 -1.26 -1.44 120.40 108.87 2qm6 s VAL 436 Ca 0.50 -2.09 -0.08 0.00 -1.81 0.00 0.00 61.98 58.50 2qm6 s VAL 436 Cb -0.16 -2.48 0.03 0.00 0.56 0.00 0.00 36.38 34.33 2qm6 s VAL 436 CO 0.21 -0.26 0.44 0.61 -0.31 0.00 0.00 175.10 175.78 2qm6 n GLY 437 N -0.57 1.41 0.00 2.32 0.00 -1.26 -4.99 105.19 102.09 2qm6 n GLY 437 Ca -0.05 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 44.83 2qm6 n GLY 437 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qm6 n GLY 438 N -0.30 3.40 0.18 -0.02 0.00 -1.26 -1.94 105.19 105.25 2qm6 n GLY 438 Ca -0.05 -0.27 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 2qm6 n GLY 438 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2qm6 h ASP 439 N 0.00 0.64 -0.90 1.61 3.32 -1.98 -3.11 116.42 116.01 2qm6 h ASP 439 Ca 0.00 -0.59 0.04 0.00 0.02 0.00 0.00 57.03 56.50 2qm6 h ASP 439 Cb 0.00 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 39.31 2qm6 h ASP 439 CO 0.00 1.12 0.58 0.00 -1.72 0.00 0.00 179.24 179.22 2qm6 h ALA 440 N 0.53 1.20 -0.47 3.45 0.00 -2.01 -2.67 119.26 119.29 2qm6 h ALA 440 Ca -0.01 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.70 2qm6 h ALA 440 Cb 1.06 -0.30 -0.10 0.00 0.00 0.00 0.00 17.79 18.46 2qm6 h ALA 440 CO 0.09 0.40 0.10 -1.71 0.00 0.00 0.00 179.25 178.14 2qm6 n ASN 441 N -4.54 3.57 -4.79 0.00 5.15 -1.25 -5.00 115.26 108.40 2qm6 n ASN 441 Ca 0.12 -3.40 -0.32 0.00 -0.60 0.00 0.00 54.58 50.37 2qm6 n ASN 441 Cb 0.11 -0.65 0.04 0.00 -0.53 0.00 0.00 39.78 38.75 2qm6 n ASN 441 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2qm6 s ALA 442 N -3.07 2.57 0.15 5.20 0.00 -1.01 -0.84 121.76 124.76 2qm6 s ALA 442 Ca 0.47 0.41 -0.30 0.00 0.00 0.00 0.00 51.96 52.54 2qm6 s ALA 442 Cb 0.40 -3.27 -0.08 0.00 0.00 0.00 0.00 23.12 20.18 2qm6 s ALA 442 CO 0.07 -1.16 1.26 0.42 0.00 0.00 0.00 175.76 176.35 2qm6 s ILE 443 N -2.52 3.53 0.02 0.00 1.01 -1.26 -4.88 121.20 117.10 2qm6 s ILE 443 Ca 0.64 1.20 0.01 0.00 0.00 0.00 0.00 60.65 62.50 2qm6 s ILE 443 Cb -0.18 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 2qm6 s ILE 443 CO 0.43 0.15 -0.04 -1.61 0.00 0.00 0.00 174.94 173.87 2qm6 s GLU 444 N 0.29 0.33 0.20 2.79 2.02 -1.26 -5.10 118.70 117.96 2qm6 s GLU 444 Ca 0.57 -0.42 -0.32 0.00 0.02 0.00 0.00 54.97 54.81 2qm6 s GLU 444 Cb -0.34 -0.14 -0.15 0.00 0.10 0.00 0.00 34.13 33.61 2qm6 s GLU 444 CO 0.34 0.02 1.31 0.00 0.02 0.00 0.00 175.26 176.95 2qm6 n ALA 445 N 2.19 0.21 -0.42 5.21 0.00 -1.26 -2.00 120.51 124.44 2qm6 n ALA 445 Ca -0.19 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2qm6 n ALA 445 Cb 0.57 -2.16 0.00 0.00 0.00 0.00 0.00 19.45 17.85 2qm6 n ALA 445 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qm6 n ASN 446 N 2.18 0.00 -4.80 0.00 5.03 -1.26 -4.99 115.26 111.42 2qm6 n ASN 446 Ca 0.14 0.00 -0.34 0.00 0.87 0.00 0.00 54.58 55.24 2qm6 n ASN 446 Cb 0.28 -0.37 -0.06 0.00 -1.02 0.00 0.00 39.78 38.61 2qm6 n ASN 446 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2qm6 s LYS 447 N -0.09 4.17 -0.16 3.52 2.20 -0.85 -5.04 119.74 123.49 2qm6 s LYS 447 Ca 0.00 1.28 -0.17 0.00 -0.36 0.00 0.00 55.97 56.72 2qm6 s LYS 447 Cb 0.00 -2.32 -0.04 0.00 -1.51 0.00 0.00 37.83 33.96 2qm6 s LYS 447 CO 0.00 -0.10 0.43 1.03 -0.36 0.00 0.00 175.35 176.35 2qm6 s ARG 448 N -2.90 4.27 0.38 4.03 0.52 -1.26 -4.88 118.95 119.10 2qm6 s ARG 448 Ca 0.61 0.32 -0.27 0.00 -0.52 0.00 0.00 55.73 55.86 2qm6 s ARG 448 Cb -0.15 -3.48 -0.09 0.00 0.52 0.00 0.00 34.95 31.76 2qm6 s ARG 448 CO 0.19 0.08 1.32 -1.25 0.02 0.00 0.00 175.30 175.66 2qm6 s PRO 449 N 0.90 4.10 0.28 3.54 0.04 -1.26 -4.92 135.00 137.67 2qm6 s PRO 449 Ca 0.22 2.20 -0.30 0.00 0.04 0.00 0.00 61.00 63.16 2qm6 s PRO 449 Cb -0.15 -2.87 -0.12 0.00 0.04 0.00 0.00 34.50 31.40 2qm6 s PRO 449 CO 0.08 -0.40 1.54 -0.11 0.04 0.00 0.00 177.00 178.16 2qm6 n LEU 450 N 0.36 3.98 -4.74 -3.56 7.94 -1.25 -4.92 117.00 114.81 2qm6 n LEU 450 Ca 0.02 1.14 -0.23 0.00 -1.11 0.00 0.00 56.01 55.84 2qm6 n LEU 450 Cb 0.43 -1.54 -0.06 0.00 0.53 0.00 0.00 43.42 42.77 2qm6 n LEU 450 CO 0.57 -0.04 -0.19 -0.55 -1.11 0.00 0.00 177.39 176.07 2qm6 s SER 451 N 0.45 4.76 0.00 1.96 0.15 -1.26 -4.73 113.70 115.03 2qm6 s SER 451 Ca 0.65 -0.72 0.12 0.00 0.70 0.00 0.00 55.95 56.70 2qm6 s SER 451 Cb -0.54 -0.78 0.14 0.00 -1.71 0.00 0.00 66.02 63.13 2qm6 s SER 451 CO 0.48 -0.28 0.96 -1.20 1.20 0.00 0.00 173.24 174.41 2qm6 n SER 452 N -1.16 2.21 -4.75 5.45 7.64 -1.26 -5.05 113.62 116.70 2qm6 n SER 452 Ca -0.03 -1.60 -0.42 0.00 1.01 0.00 0.00 58.87 57.83 2qm6 n SER 452 Cb 0.61 -0.05 -0.02 0.00 -1.01 0.00 0.00 64.21 63.74 2qm6 n SER 452 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 2qm6 s MET 453 N -0.99 4.12 -0.44 1.43 -1.94 -1.26 -4.25 119.30 115.97 2qm6 s MET 453 Ca 0.16 2.58 0.10 0.00 -1.71 0.00 0.00 55.69 56.82 2qm6 s MET 453 Cb 0.11 -3.03 0.38 0.00 2.01 0.00 0.00 34.83 34.30 2qm6 s MET 453 CO 0.15 -0.65 0.91 0.43 -0.01 0.00 0.00 175.02 175.85 2qm6 n SER 454 N 2.38 2.80 -4.72 3.03 7.64 -1.26 -5.05 113.62 118.44 2qm6 n SER 454 Ca 0.09 -3.30 -0.42 0.00 1.01 0.00 0.00 58.87 56.26 2qm6 n SER 454 Cb 0.37 -0.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.99 2qm6 n SER 454 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2qm6 s PRO 455 N -3.09 4.24 0.02 1.43 0.04 -1.26 -4.61 135.00 131.77 2qm6 s PRO 455 Ca 0.42 2.31 0.01 0.00 0.04 0.00 0.00 61.00 63.78 2qm6 s PRO 455 Cb 0.36 -3.16 -0.02 0.00 0.04 0.00 0.00 34.50 31.72 2qm6 s PRO 455 CO -0.10 -0.55 -0.05 0.99 0.04 0.00 0.00 177.00 177.33 2qm6 s THR 456 N 0.92 0.35 -0.06 1.26 2.01 -0.12 -5.01 115.64 114.99 2qm6 s THR 456 Ca 0.67 -0.75 0.03 0.00 0.31 0.00 0.00 61.69 61.95 2qm6 s THR 456 Cb -0.42 -0.41 0.01 0.00 0.01 0.00 0.00 72.50 71.69 2qm6 s THR 456 CO 0.33 -0.27 -0.15 -0.63 -0.69 0.00 0.00 174.62 173.21 2qm6 s ILE 457 N -1.00 1.30 -0.12 1.82 1.01 -1.26 -1.42 121.20 121.53 2qm6 s ILE 457 Ca -0.08 -0.60 -0.01 0.00 0.00 0.00 0.00 60.65 59.96 2qm6 s ILE 457 Cb -0.07 -1.15 -0.02 0.00 0.01 0.00 0.00 42.46 41.22 2qm6 s ILE 457 CO -0.00 0.39 -0.08 -0.69 0.00 0.00 0.00 174.94 174.55 2qm6 s VAL 458 N 0.39 3.52 0.00 2.92 1.01 0.32 -4.97 120.40 123.59 2qm6 s VAL 458 Ca -0.11 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.39 2qm6 s VAL 458 Cb -0.14 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 2qm6 s VAL 458 CO 0.04 0.53 -0.03 -0.76 0.00 0.00 0.00 175.10 174.87 2qm6 s LEU 459 N 0.03 3.34 -0.14 3.92 1.43 -1.26 -0.20 118.68 125.81 2qm6 s LEU 459 Ca -0.02 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 2qm6 s LEU 459 Cb -0.14 -1.91 0.02 0.00 0.03 0.00 0.00 46.19 44.19 2qm6 s LEU 459 CO 0.03 0.28 -0.14 -0.75 0.23 0.00 0.00 176.35 176.01 2qm6 s LYS 460 N -1.48 2.19 -1.55 1.70 2.20 -0.08 -4.75 119.74 117.97 2qm6 s LYS 460 Ca 0.18 -0.52 -0.12 0.00 -0.36 0.00 0.00 55.97 55.14 2qm6 s LYS 460 Cb -0.11 -2.00 0.09 0.00 -1.51 0.00 0.00 37.83 34.30 2qm6 s LYS 460 CO 0.09 -0.20 0.84 0.09 -0.36 0.00 0.00 175.35 175.81 2qm6 n ASN 461 N 4.66 -3.57 0.00 1.43 3.02 -1.26 -1.68 115.26 117.86 2qm6 n ASN 461 Ca -0.17 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.51 2qm6 n ASN 461 Cb 0.50 -3.51 0.00 0.00 -0.61 0.00 0.00 39.78 36.16 2qm6 n ASN 461 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2qm6 n ASN 462 N -2.82 -2.76 -4.52 6.41 3.02 -1.26 -5.00 115.26 108.32 2qm6 n ASN 462 Ca -0.02 0.00 -0.30 0.00 -0.03 0.00 0.00 54.58 54.23 2qm6 n ASN 462 Cb 0.55 -1.22 -0.11 0.00 -0.61 0.00 0.00 39.78 38.38 2qm6 n ASN 462 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2qm6 s LYS 463 N -0.52 2.01 0.16 3.52 1.02 -0.68 -5.07 119.74 120.18 2qm6 s LYS 463 Ca 0.00 -1.06 -0.34 0.00 0.02 0.00 0.00 55.97 54.59 2qm6 s LYS 463 Cb 0.00 -2.22 -0.15 0.00 -0.52 0.00 0.00 37.83 34.94 2qm6 s LYS 463 CO 0.00 0.51 1.46 0.28 -0.92 0.00 0.00 175.35 176.68 2qm6 n VAL 464 N 0.93 0.24 0.01 3.17 0.31 -1.26 -0.90 118.33 120.83 2qm6 n VAL 464 Ca -0.15 -0.06 -0.01 0.00 -0.01 0.00 0.00 64.34 64.11 2qm6 n VAL 464 Cb 0.52 -1.31 -0.00 0.00 -0.91 0.00 0.00 33.84 32.14 2qm6 n VAL 464 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2qm6 n PHE 465 N 2.79 0.00 -4.39 3.52 7.35 0.72 -4.50 117.46 122.95 2qm6 n PHE 465 Ca 0.16 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.66 2qm6 n PHE 465 Cb 0.27 -0.04 -0.14 0.00 0.35 0.00 0.00 39.48 39.91 2qm6 n PHE 465 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2qm6 s LEU 466 N -6.36 2.08 -0.14 -2.13 1.43 -0.59 -0.87 118.68 112.10 2qm6 s LEU 466 Ca -0.02 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 2qm6 s LEU 466 Cb 0.01 -0.52 0.01 0.00 0.03 0.00 0.00 46.19 45.72 2qm6 s LEU 466 CO 0.02 0.08 -0.20 -0.69 0.23 0.00 0.00 176.35 175.79 2qm6 s VAL 467 N -0.50 1.94 -0.02 -1.59 1.01 0.05 -0.52 120.40 120.78 2qm6 s VAL 467 Ca 0.02 -0.90 -0.21 0.00 0.00 0.00 0.00 61.98 60.89 2qm6 s VAL 467 Cb -0.05 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 34.63 2qm6 s VAL 467 CO 0.00 0.53 0.45 0.54 0.00 0.00 0.00 175.10 176.62 2qm6 s VAL 468 N 0.95 0.04 -0.10 2.92 0.11 -0.51 -0.91 120.40 122.90 2qm6 s VAL 468 Ca -0.05 -0.31 -0.32 0.00 -2.93 0.00 0.00 61.98 58.38 2qm6 s VAL 468 Cb -0.15 -0.78 0.12 0.00 -1.53 0.00 0.00 36.38 34.03 2qm6 s VAL 468 CO -0.04 -0.17 1.40 -0.83 -3.33 0.00 0.00 175.10 172.13 2qm6 s GLY 469 N -1.35 -0.32 -0.10 6.54 0.00 -1.26 -0.95 107.32 109.88 2qm6 s GLY 469 Ca -0.12 0.45 -0.30 0.00 0.00 0.00 0.00 44.72 44.75 2qm6 s GLY 469 CO 0.06 4.59 0.87 -0.45 0.00 0.00 0.00 173.10 178.16 2qm6 s SER 470 N -3.63 -0.47 0.92 1.64 0.15 -1.26 -3.47 113.70 107.58 2qm6 s SER 470 Ca 0.26 0.46 -0.15 0.00 0.70 0.00 0.00 55.95 57.23 2qm6 s SER 470 Cb 0.03 0.40 0.17 0.00 -1.71 0.00 0.00 66.02 64.90 2qm6 s SER 470 CO -0.04 -0.47 1.28 -2.16 1.20 0.00 0.00 173.24 173.04 2qm6 s PRO 471 N -1.39 0.97 0.00 5.44 0.04 -1.26 -4.66 135.00 134.14 2qm6 s PRO 471 Ca -0.04 -0.25 0.00 0.00 0.04 0.00 0.00 61.00 60.75 2qm6 s PRO 471 Cb -0.00 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.67 2qm6 s PRO 471 CO 0.03 -2.22 0.00 0.41 0.04 0.00 0.00 177.00 175.27 2qm6 n GLY 472 N -3.56 0.26 7.00 0.56 0.00 -1.26 -4.20 105.19 103.99 2qm6 n GLY 472 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2qm6 n GLY 472 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qm6 n GLY 473 N 0.00 3.58 0.31 -0.02 0.00 -1.26 -0.88 105.19 106.93 2qm6 n GLY 473 Ca 0.00 -0.02 0.16 0.00 0.00 0.00 0.00 46.02 46.15 2qm6 n GLY 473 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2qm6 h SER 474 N 0.00 0.00 0.76 1.61 4.64 -1.95 -1.85 113.55 116.76 2qm6 h SER 474 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qm6 h SER 474 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qm6 h SER 474 CO 0.00 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.50 2qm6 n ARG 475 N -3.87 0.20 -0.04 4.77 3.00 -0.06 -3.90 116.66 116.77 2qm6 n ARG 475 Ca -0.01 0.02 -0.09 0.00 -0.01 0.00 0.00 57.85 57.75 2qm6 n ARG 475 Cb 0.20 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.13 2qm6 n ARG 475 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2qm6 h ILE 476 N 0.00 0.97 -0.30 0.55 2.04 -1.41 -0.95 117.51 118.41 2qm6 h ILE 476 Ca 0.00 -0.06 0.04 0.00 1.00 0.00 0.00 64.86 65.84 2qm6 h ILE 476 Cb 0.38 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 2qm6 h ILE 476 CO 0.00 0.03 0.07 0.40 0.00 0.00 0.00 178.15 178.65 2qm6 h ILE 477 N 0.17 0.87 -0.26 -0.67 2.04 -1.74 -1.02 117.51 116.90 2qm6 h ILE 477 Ca 0.08 -0.06 -0.17 0.00 1.00 0.00 0.00 64.86 65.71 2qm6 h ILE 477 Cb 0.04 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 36.78 2qm6 h ILE 477 CO -0.07 0.03 -0.51 0.71 0.00 0.00 0.00 178.15 178.32 2qm6 h THR 478 N 0.19 1.29 -0.09 -0.27 1.35 -1.77 -1.99 112.91 111.62 2qm6 h THR 478 Ca 0.14 -1.71 0.02 0.00 -0.55 0.00 0.00 66.41 64.31 2qm6 h THR 478 Cb 0.14 1.63 -0.02 0.00 -1.73 0.00 0.00 68.15 68.17 2qm6 h THR 478 CO -0.17 0.55 -0.01 0.74 -0.25 0.00 0.00 175.52 176.38 2qm6 h THR 479 N 0.57 0.93 -0.55 6.82 2.02 -0.89 -1.90 112.91 119.91 2qm6 h THR 479 Ca 0.02 -0.01 -0.08 0.00 0.77 0.00 0.00 66.41 67.12 2qm6 h THR 479 Cb 1.07 0.91 -0.02 0.00 -1.74 0.00 0.00 68.15 68.37 2qm6 h THR 479 CO 0.11 0.00 0.03 0.58 0.37 0.00 0.00 175.52 176.61 2qm6 h VAL 480 N 0.02 1.26 -0.17 3.16 2.07 -1.14 -2.38 116.25 119.07 2qm6 h VAL 480 Ca 0.04 -1.07 -0.10 0.00 0.82 0.00 0.00 66.70 66.39 2qm6 h VAL 480 Cb 0.06 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2qm6 h VAL 480 CO -0.08 0.38 -0.35 0.17 0.02 0.00 0.00 177.57 177.71 2qm6 h LEU 481 N 0.84 0.36 -0.59 2.57 8.10 -1.30 -2.13 115.31 123.15 2qm6 h LEU 481 Ca 0.16 -0.14 -0.07 0.00 0.11 0.00 0.00 57.88 57.94 2qm6 h LEU 481 Cb 0.50 -0.10 -0.02 0.00 -0.44 0.00 0.00 40.66 40.60 2qm6 h LEU 481 CO 0.02 0.69 0.11 1.56 -4.11 0.00 0.00 178.44 176.71 2qm6 h GLN 482 N 0.30 0.98 -0.47 0.17 4.20 -1.13 0.48 115.11 119.63 2qm6 h GLN 482 Ca 0.03 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.49 2qm6 h GLN 482 Cb 0.76 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.40 2qm6 h GLN 482 CO 0.06 0.92 0.31 0.28 -0.67 0.00 0.00 178.83 179.73 2qm6 h VAL 483 N 0.88 1.12 -0.36 -0.54 2.07 -1.17 0.95 116.25 119.19 2qm6 h VAL 483 Ca 0.18 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 2qm6 h VAL 483 Cb 0.41 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 2qm6 h VAL 483 CO 0.01 0.12 0.17 0.40 0.02 0.00 0.00 177.57 178.29 2qm6 h ILE 484 N 0.64 1.17 -0.65 4.57 2.04 -1.16 -2.60 117.51 121.52 2qm6 h ILE 484 Ca 0.17 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 2qm6 h ILE 484 Cb -0.07 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 36.80 2qm6 h ILE 484 CO -0.04 0.18 0.35 -1.28 0.00 0.00 0.00 178.15 177.36 2qm6 h SER 485 N 0.44 0.82 -0.94 1.72 0.87 -0.74 -0.88 113.55 114.83 2qm6 h SER 485 Ca 0.12 -0.10 0.11 0.00 -1.23 0.00 0.00 61.79 60.70 2qm6 h SER 485 Cb 0.13 -0.21 -0.08 0.00 -0.44 0.00 0.00 62.40 61.80 2qm6 h SER 485 CO -0.01 0.69 0.57 0.78 -0.53 0.00 0.00 176.83 178.33 2qm6 h ASN 486 N 0.89 0.83 0.08 6.23 2.35 -0.58 0.36 115.58 125.74 2qm6 h ASN 486 Ca 0.23 0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 56.02 2qm6 h ASN 486 Cb 0.05 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.31 2qm6 h ASN 486 CO -0.04 0.45 -0.04 0.58 -1.65 0.00 0.00 177.43 176.73 2qm6 h VAL 487 N 0.92 1.18 0.00 2.81 2.07 -1.14 -2.04 116.25 120.05 2qm6 h VAL 487 Ca 0.47 -1.29 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 2qm6 h VAL 487 Cb 0.46 1.97 0.01 0.00 -1.52 0.00 0.00 31.29 32.21 2qm6 h VAL 487 CO -0.27 0.30 -0.26 0.40 0.02 0.00 0.00 177.57 177.76 2qm6 h ILE 488 N -0.74 1.55 0.10 4.57 2.04 -0.93 -1.99 117.51 122.12 2qm6 h ILE 488 Ca -0.01 -1.98 -0.27 0.00 1.00 0.00 0.00 64.86 63.60 2qm6 h ILE 488 Cb 0.58 2.79 0.03 0.00 -0.74 0.00 0.00 36.82 39.48 2qm6 h ILE 488 CO 0.02 0.54 -1.13 0.44 0.00 0.00 0.00 178.15 178.02 2qm6 h ASP 489 N -0.50 0.82 -0.01 1.72 3.32 -0.49 -3.38 116.42 117.89 2qm6 h ASP 489 Ca -0.03 -0.82 0.00 0.00 0.02 0.00 0.00 57.03 56.19 2qm6 h ASP 489 Cb 1.03 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.32 2qm6 h ASP 489 CO 0.05 1.55 -0.09 -1.22 -1.72 0.00 0.00 179.24 177.81 2qm6 n TYR 490 N -3.87 0.00 -2.82 4.55 4.01 -1.07 -4.99 117.16 112.96 2qm6 n TYR 490 Ca -0.13 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.39 2qm6 n TYR 490 Cb 0.93 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.98 2qm6 n TYR 490 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2qm6 n ASN 491 N 0.33 -6.09 -4.78 7.72 4.13 -0.75 -4.96 115.26 110.86 2qm6 n ASN 491 Ca 0.06 -0.20 -0.37 0.00 1.68 0.00 0.00 54.58 55.75 2qm6 n ASN 491 Cb 0.28 -4.97 -0.04 0.00 -1.54 0.00 0.00 39.78 33.52 2qm6 n ASN 491 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2qm6 s MET 492 N -5.50 4.16 1.01 3.52 -1.94 -0.81 -4.99 119.30 114.75 2qm6 s MET 492 Ca 0.21 1.58 -0.14 0.00 -1.71 0.00 0.00 55.69 55.63 2qm6 s MET 492 Cb -0.09 -2.59 0.19 0.00 2.01 0.00 0.00 34.83 34.35 2qm6 s MET 492 CO 0.26 -0.16 1.12 0.54 -0.01 0.00 0.00 175.02 176.76 2qm6 s ASN 493 N -1.46 2.60 0.31 3.03 2.20 -1.26 -4.38 114.94 115.99 2qm6 s ASN 493 Ca 0.57 0.97 0.01 0.00 -0.94 0.00 0.00 52.86 53.48 2qm6 s ASN 493 Cb -0.24 -1.52 0.51 0.00 -2.00 0.00 0.00 41.25 38.00 2qm6 s ASN 493 CO 0.30 -3.12 1.89 -0.29 -2.94 0.00 0.00 177.10 172.94 2qm6 h ILE 494 N -1.89 1.20 -0.12 0.54 6.09 -1.96 -0.33 117.51 121.05 2qm6 h ILE 494 Ca -0.52 -0.67 -0.00 0.00 -1.37 0.00 0.00 64.86 62.30 2qm6 h ILE 494 Cb 1.32 0.62 -0.01 0.00 0.47 0.00 0.00 36.82 39.23 2qm6 h ILE 494 CO 0.55 0.26 0.06 0.28 -3.07 0.00 0.00 178.15 176.22 2qm6 h SER 495 N 0.74 0.15 -0.64 2.19 0.02 -1.93 -1.32 113.55 112.77 2qm6 h SER 495 Ca 0.17 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 2qm6 h SER 495 Cb 0.20 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.67 2qm6 h SER 495 CO -0.01 0.22 0.39 -0.33 -1.14 0.00 0.00 176.83 175.96 2qm6 h GLU 496 N 0.07 0.87 -0.63 3.45 5.08 -1.85 -1.12 114.58 120.45 2qm6 h GLU 496 Ca 0.04 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.27 2qm6 h GLU 496 Cb 0.11 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2qm6 h GLU 496 CO -0.01 0.62 0.20 0.00 -1.00 0.00 0.00 179.01 178.82 2qm6 h ALA 497 N 1.20 1.16 0.07 3.43 0.00 -0.92 -1.13 119.26 123.07 2qm6 h ALA 497 Ca 0.23 -0.20 -0.28 0.00 0.00 0.00 0.00 54.91 54.66 2qm6 h ALA 497 Cb -0.03 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.53 2qm6 h ALA 497 CO -0.04 0.58 -1.15 0.28 0.00 0.00 0.00 179.25 178.92 2qm6 h VAL 498 N 0.92 1.30 -0.11 0.00 2.07 -1.08 -3.33 116.25 116.01 2qm6 h VAL 498 Ca 0.21 -2.40 -0.13 0.00 0.82 0.00 0.00 66.70 65.20 2qm6 h VAL 498 Cb 0.26 2.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.58 2qm6 h VAL 498 CO -0.01 0.73 -0.50 0.28 0.02 0.00 0.00 177.57 178.09 2qm6 h SER 499 N 0.31 0.33 -2.34 0.57 0.02 -0.99 -3.47 113.55 107.99 2qm6 h SER 499 Ca -0.16 -0.17 -0.62 0.00 -0.84 0.00 0.00 61.79 60.01 2qm6 h SER 499 Cb 1.81 -0.09 0.09 0.00 0.14 0.00 0.00 62.40 64.35 2qm6 h SER 499 CO 0.22 0.78 0.29 0.00 -1.14 0.00 0.00 176.83 176.99 2qm6 n ALA 500 N -2.48 -0.12 -1.60 3.77 0.00 -0.45 -4.87 120.51 114.77 2qm6 n ALA 500 Ca -0.02 0.42 -0.41 0.00 0.00 0.00 0.00 53.44 53.43 2qm6 n ALA 500 Cb 0.55 -2.08 0.02 0.00 0.00 0.00 0.00 19.45 17.94 2qm6 n ALA 500 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2qm6 n PRO 501 N 1.37 1.20 -4.56 0.00 -0.02 -1.26 -5.01 135.00 126.72 2qm6 n PRO 501 Ca 0.12 0.44 -0.31 0.00 -2.02 0.00 0.00 63.50 61.72 2qm6 n PRO 501 Cb 0.29 -2.01 -0.12 0.00 -0.02 0.00 0.00 33.50 31.64 2qm6 n PRO 501 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qm6 s ARG 502 N -2.10 2.25 0.44 -0.52 0.52 -1.26 -5.08 118.95 113.20 2qm6 s ARG 502 Ca 0.65 -0.89 0.06 0.00 -0.52 0.00 0.00 55.73 55.03 2qm6 s ARG 502 Cb -0.53 -2.31 -0.05 0.00 0.52 0.00 0.00 34.95 32.58 2qm6 s ARG 502 CO 0.55 0.56 0.13 -0.59 0.02 0.00 0.00 175.30 175.97 2qm6 s PHE 503 N -0.97 2.39 -0.27 -0.53 -0.12 -1.26 -3.81 117.98 113.41 2qm6 s PHE 503 Ca 0.16 -0.68 -0.18 0.00 -0.05 0.00 0.00 56.93 56.18 2qm6 s PHE 503 Cb -0.11 -1.86 0.08 0.00 -0.63 0.00 0.00 43.02 40.50 2qm6 s PHE 503 CO 0.07 0.20 0.68 -1.58 -0.05 0.00 0.00 175.22 174.54 2qm6 s HIS 504 N -2.68 -0.97 -0.07 3.49 2.46 -0.12 -4.79 115.29 112.61 2qm6 s HIS 504 Ca 0.34 2.03 0.00 0.00 0.47 0.00 0.00 55.06 57.90 2qm6 s HIS 504 Cb 0.05 0.53 0.02 0.00 -0.13 0.00 0.00 32.58 33.05 2qm6 s HIS 504 CO 0.18 -0.48 -0.04 1.41 -2.47 0.00 0.00 174.74 173.35 2qm6 s MET 505 N 1.30 0.90 -0.10 2.88 0.00 -1.26 -0.61 119.30 122.41 2qm6 s MET 505 Ca -0.07 -0.07 0.15 0.00 0.00 0.00 0.00 55.69 55.70 2qm6 s MET 505 Cb -0.05 -1.03 0.23 0.00 0.00 0.00 0.00 34.83 33.98 2qm6 s MET 505 CO -0.14 -0.18 1.11 0.00 0.00 0.00 0.00 175.02 175.81 2qm6 n GLN 506 N 4.55 1.09 0.00 4.11 10.64 -1.26 -5.04 117.38 131.48 2qm6 n GLN 506 Ca -0.17 -2.25 0.00 0.00 -1.83 0.00 0.00 57.00 52.76 2qm6 n GLN 506 Cb 0.50 -1.30 0.00 0.00 -0.86 0.00 0.00 30.24 28.59 2qm6 n GLN 506 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.06 177.10 2qm6 n TRP 507 N -1.14 0.00 -4.39 2.61 -0.00 -1.26 -4.65 117.44 108.61 2qm6 n TRP 507 Ca 0.13 0.00 -0.30 0.00 -0.00 0.00 0.00 57.50 57.32 2qm6 n TRP 507 Cb 0.64 0.00 -0.17 0.00 -0.00 0.00 0.00 31.31 31.78 2qm6 n TRP 507 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 2qm6 s LEU 508 N 0.00 1.84 0.65 5.87 1.43 -1.26 -2.61 118.68 124.60 2qm6 s LEU 508 Ca 0.00 -0.50 -0.16 0.00 -1.03 0.00 0.00 54.13 52.44 2qm6 s LEU 508 Cb 0.00 -1.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.99 2qm6 s LEU 508 CO 0.00 0.02 1.16 -2.16 0.23 0.00 0.00 176.35 175.59 2qm6 s PRO 509 N 1.08 2.72 -1.23 1.29 0.04 -1.26 -4.75 135.00 132.87 2qm6 s PRO 509 Ca -0.03 1.59 -0.18 0.00 0.04 0.00 0.00 61.00 62.42 2qm6 s PRO 509 Cb -0.14 -1.92 0.09 0.00 0.04 0.00 0.00 34.50 32.56 2qm6 s PRO 509 CO -0.05 -1.35 1.62 0.34 0.04 0.00 0.00 177.00 177.61 2qm6 s ASP 510 N -2.16 6.83 0.01 6.66 -1.08 -1.07 -4.49 116.67 121.37 2qm6 s ASP 510 Ca 0.71 -2.40 -0.16 0.00 -0.52 0.00 0.00 52.55 50.18 2qm6 s ASP 510 Cb -0.25 -2.54 0.03 0.00 -1.46 0.00 0.00 42.92 38.70 2qm6 s ASP 510 CO 0.39 -1.13 0.35 -1.83 0.52 0.00 0.00 175.17 173.46 2qm6 s GLU 511 N 3.80 0.77 -0.44 4.34 -1.05 -1.26 -4.65 118.70 120.21 2qm6 s GLU 511 Ca 0.50 -0.28 -0.14 0.00 -0.15 0.00 0.00 54.97 54.90 2qm6 s GLU 511 Cb 0.02 0.34 0.05 0.00 -0.44 0.00 0.00 34.13 34.10 2qm6 s GLU 511 CO 0.04 -0.23 0.33 -1.17 0.95 0.00 0.00 175.26 175.17 2qm6 s LEU 512 N -1.64 5.31 -0.05 1.83 2.96 0.65 -4.51 118.68 123.24 2qm6 s LEU 512 Ca -0.10 -1.17 -0.26 0.00 -0.22 0.00 0.00 54.13 52.39 2qm6 s LEU 512 Cb -0.03 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.49 2qm6 s LEU 512 CO 0.01 -0.54 0.80 -0.60 -1.32 0.00 0.00 176.35 174.70 2qm6 s ARG 513 N 1.62 4.48 0.37 1.98 3.52 0.22 -1.17 118.95 129.96 2qm6 s ARG 513 Ca 0.04 1.07 0.04 0.00 -0.13 0.00 0.00 55.73 56.74 2qm6 s ARG 513 Cb -0.22 -3.46 -0.03 0.00 -1.56 0.00 0.00 34.95 29.68 2qm6 s ARG 513 CO 0.07 0.01 0.12 0.96 -0.81 0.00 0.00 175.30 175.66 2qm6 s ILE 514 N 0.91 0.64 0.18 4.11 -4.36 0.37 -0.94 121.20 122.11 2qm6 s ILE 514 Ca 0.42 -2.00 0.07 0.00 -0.26 0.00 0.00 60.65 58.89 2qm6 s ILE 514 Cb -0.19 -2.47 -0.04 0.00 1.25 0.00 0.00 42.46 41.02 2qm6 s ILE 514 CO 0.21 0.00 0.03 -1.61 0.24 0.00 0.00 174.94 173.81 2qm6 s GLU 515 N -3.77 2.49 0.30 0.37 2.02 -1.25 -1.82 118.70 117.05 2qm6 s GLU 515 Ca 0.29 -1.09 -0.30 0.00 0.02 0.00 0.00 54.97 53.89 2qm6 s GLU 515 Cb 0.04 -2.39 -0.12 0.00 0.10 0.00 0.00 34.13 31.76 2qm6 s GLU 515 CO 0.15 0.45 1.54 1.17 0.02 0.00 0.00 175.26 178.60 2qm6 n LYS 516 N -0.25 2.59 -1.15 1.61 4.81 -1.26 -0.72 118.16 123.79 2qm6 n LYS 516 Ca -0.09 0.92 -0.05 0.00 -0.87 0.00 0.00 58.31 58.22 2qm6 n LYS 516 Cb 0.55 -2.67 -0.02 0.00 0.02 0.00 0.00 35.03 32.92 2qm6 n LYS 516 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 2qm6 n PHE 517 N 1.75 0.00 0.13 5.64 3.72 -1.26 -4.88 117.46 122.56 2qm6 n PHE 517 Ca 0.08 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.55 2qm6 n PHE 517 Cb 0.36 -2.22 0.04 0.00 -0.94 0.00 0.00 39.48 36.72 2qm6 n PHE 517 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 2qm6 h GLY 518 N 0.00 0.00 -6.64 1.37 0.00 -1.34 -3.46 103.07 93.01 2qm6 h GLY 518 Ca -0.10 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 46.97 2qm6 h GLY 518 CO 0.15 0.00 -0.60 -0.29 0.00 0.00 0.00 176.54 175.80 2qm6 s MET 519 N -3.16 0.08 0.68 4.80 -2.45 -1.26 -4.82 119.30 113.17 2qm6 s MET 519 Ca 0.02 0.56 -0.11 0.00 -1.25 0.00 0.00 55.69 54.91 2qm6 s MET 519 Cb 0.08 -0.20 -0.00 0.00 1.25 0.00 0.00 34.83 35.96 2qm6 s MET 519 CO 0.75 -0.26 1.06 -1.25 1.05 0.00 0.00 175.02 176.36 2qm6 s PRO 520 N 2.02 3.06 0.26 4.11 0.04 -1.26 -4.79 135.00 138.43 2qm6 s PRO 520 Ca -0.01 0.83 -0.04 0.00 0.04 0.00 0.00 61.00 61.82 2qm6 s PRO 520 Cb -0.12 -2.01 0.53 0.00 0.04 0.00 0.00 34.50 32.94 2qm6 s PRO 520 CO -0.07 -0.98 1.62 0.00 0.04 0.00 0.00 177.00 177.62 2qm6 h ALA 521 N -0.62 0.92 -0.72 8.56 0.00 -2.01 -1.24 119.26 124.14 2qm6 h ALA 521 Ca -0.44 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2qm6 h ALA 521 Cb 1.21 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 19.41 2qm6 h ALA 521 CO 0.59 -0.45 0.42 -0.44 0.00 0.00 0.00 179.25 179.37 2qm6 h ASP 522 N 0.10 0.88 -0.18 0.00 5.19 -1.99 0.19 116.42 120.61 2qm6 h ASP 522 Ca 0.47 -0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 56.74 2qm6 h ASP 522 Cb 0.87 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 40.15 2qm6 h ASP 522 CO -0.72 0.70 -0.12 0.58 -3.12 0.00 0.00 179.24 176.55 2qm6 h VAL 523 N 0.99 1.32 -0.68 -1.35 2.07 -1.66 -2.43 116.25 114.52 2qm6 h VAL 523 Ca 0.26 -1.23 0.05 0.00 0.82 0.00 0.00 66.70 66.60 2qm6 h VAL 523 Cb -0.01 1.75 -0.05 0.00 -1.52 0.00 0.00 31.29 31.46 2qm6 h VAL 523 CO -0.05 0.37 0.39 0.11 0.02 0.00 0.00 177.57 178.41 2qm6 h LYS 524 N 0.06 0.71 -0.74 1.57 1.57 -0.80 -0.77 116.57 118.17 2qm6 h LYS 524 Ca 0.03 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 2qm6 h LYS 524 Cb 0.63 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 2qm6 h LYS 524 CO 0.03 0.47 0.30 -0.44 -0.57 0.00 0.00 179.45 179.25 2qm6 h ASP 525 N 0.74 1.02 -0.37 0.86 3.32 -0.57 0.15 116.42 121.56 2qm6 h ASP 525 Ca 0.29 -0.17 -0.16 0.00 0.02 0.00 0.00 57.03 57.01 2qm6 h ASP 525 Cb 0.14 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2qm6 h ASP 525 CO -0.16 0.91 -0.40 0.78 -1.72 0.00 0.00 179.24 178.65 2qm6 h ASN 526 N 1.06 1.00 -0.42 6.45 2.35 -1.01 -1.18 115.58 123.83 2qm6 h ASN 526 Ca 0.25 -0.47 -0.12 0.00 -0.55 0.00 0.00 56.30 55.40 2qm6 h ASN 526 Cb 0.21 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 2qm6 h ASN 526 CO -0.02 1.27 -0.19 -0.07 -1.65 0.00 0.00 177.43 176.77 2qm6 h LEU 527 N 0.74 0.94 -0.57 1.61 3.38 -0.88 -2.31 115.31 118.21 2qm6 h LEU 527 Ca 0.05 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.68 2qm6 h LEU 527 Cb 1.00 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 2qm6 h LEU 527 CO 0.10 1.10 0.34 0.74 0.09 0.00 0.00 178.44 180.81 2qm6 h THR 528 N 0.80 1.17 0.00 0.22 2.02 -0.62 -1.55 112.91 114.96 2qm6 h THR 528 Ca 0.11 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.90 2qm6 h THR 528 Cb 0.74 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.55 2qm6 h THR 528 CO 0.06 0.18 0.00 0.11 0.37 0.00 0.00 175.52 176.24 2qm6 h LYS 529 N 0.77 0.00 0.00 6.66 1.79 -0.95 -0.33 116.57 124.51 2qm6 h LYS 529 Ca 0.20 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.62 2qm6 h LYS 529 Cb -0.01 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.63 2qm6 h LYS 529 CO -0.04 0.00 -0.31 0.52 -1.08 0.00 0.00 179.45 178.54 2qm6 h MET 530 N 0.00 0.00 0.00 3.15 2.86 -0.75 -3.48 114.93 116.71 2qm6 h MET 530 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2qm6 h MET 530 Cb 0.19 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.85 2qm6 h MET 530 CO 0.00 0.22 0.00 0.41 1.06 0.00 0.00 176.91 178.60 2qm6 n GLY 531 N 1.17 1.34 3.75 8.32 0.00 -0.13 -5.11 105.19 114.52 2qm6 n GLY 531 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2qm6 n GLY 531 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qm6 s TYR 532 N -1.94 3.73 -0.48 1.61 2.02 -0.77 -5.00 117.35 116.51 2qm6 s TYR 532 Ca 0.00 1.75 -0.17 0.00 -0.37 0.00 0.00 57.07 58.28 2qm6 s TYR 532 Cb 0.00 -3.17 0.06 0.00 -0.40 0.00 0.00 41.96 38.45 2qm6 s TYR 532 CO 0.00 -0.18 0.49 -1.14 -1.57 0.00 0.00 175.55 173.15 2qm6 s GLN 533 N -0.92 3.05 -0.07 -0.62 2.00 -1.26 -4.21 119.66 117.63 2qm6 s GLN 533 Ca 0.45 -1.09 -0.22 0.00 -2.00 0.00 0.00 55.36 52.50 2qm6 s GLN 533 Cb -0.29 -4.10 -0.04 0.00 0.80 0.00 0.00 33.01 29.38 2qm6 s GLN 533 CO 0.35 -1.09 0.62 0.42 -0.50 0.00 0.00 175.29 175.10 2qm6 s ILE 534 N 2.11 5.07 -0.04 -2.34 1.01 -1.26 -0.25 121.20 125.49 2qm6 s ILE 534 Ca 0.09 1.28 0.04 0.00 0.00 0.00 0.00 60.65 62.06 2qm6 s ILE 534 Cb -0.21 -3.96 0.00 0.00 0.01 0.00 0.00 42.46 38.30 2qm6 s ILE 534 CO 0.10 0.30 -0.15 0.68 0.00 0.00 0.00 174.94 175.87 2qm6 s VAL 535 N 0.62 1.24 -0.20 2.92 -7.23 -0.32 -4.93 120.40 112.51 2qm6 s VAL 535 Ca 0.33 -0.60 -0.16 0.00 -1.81 0.00 0.00 61.98 59.74 2qm6 s VAL 535 Cb -0.17 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.64 2qm6 s VAL 535 CO 0.16 0.37 0.39 -0.89 -0.31 0.00 0.00 175.10 174.82 2qm6 s THR 536 N 0.18 5.21 0.31 5.32 2.01 -1.26 -0.48 115.64 126.93 2qm6 s THR 536 Ca -0.06 0.70 0.03 0.00 0.31 0.00 0.00 61.69 62.67 2qm6 s THR 536 Cb -0.12 -3.72 -0.04 0.00 0.01 0.00 0.00 72.50 68.63 2qm6 s THR 536 CO 0.02 0.26 0.14 -0.54 -0.69 0.00 0.00 174.62 173.81 2qm6 s LYS 537 N 1.23 1.59 0.79 4.92 1.02 -0.76 -4.95 119.74 123.58 2qm6 s LYS 537 Ca 0.19 -1.90 -0.14 0.00 0.02 0.00 0.00 55.97 54.13 2qm6 s LYS 537 Cb -0.15 -0.23 0.05 0.00 -0.52 0.00 0.00 37.83 36.98 2qm6 s LYS 537 CO 0.08 -0.40 1.01 -2.30 -0.92 0.00 0.00 175.35 172.82 2qm6 n PRO 538 N -0.59 0.26 -1.63 -1.68 -0.02 -1.26 -4.39 135.00 125.69 2qm6 n PRO 538 Ca -0.00 0.15 -0.41 0.00 -2.02 0.00 0.00 63.50 61.23 2qm6 n PRO 538 Cb 0.65 -2.28 0.02 0.00 -0.02 0.00 0.00 33.50 31.87 2qm6 n PRO 538 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2qm6 n VAL 539 N -3.00 2.63 -3.68 -1.45 0.24 -1.26 -4.92 118.33 106.90 2qm6 n VAL 539 Ca 0.13 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.34 61.55 2qm6 n VAL 539 Cb 0.50 -1.25 -0.12 0.00 -1.47 0.00 0.00 33.84 31.50 2qm6 n VAL 539 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2qm6 s MET 540 N -2.16 3.57 0.00 7.34 -1.94 -1.26 -5.05 119.30 119.81 2qm6 s MET 540 Ca 0.64 -0.55 0.00 0.00 -1.71 0.00 0.00 55.69 54.07 2qm6 s MET 540 Cb -0.53 -3.50 0.00 0.00 2.01 0.00 0.00 34.83 32.82 2qm6 s MET 540 CO 0.56 -0.29 0.00 0.41 -0.01 0.00 0.00 175.02 175.69 2qm6 n GLY 541 N 4.98 0.75 2.85 -0.03 0.00 -1.26 -4.96 105.19 107.53 2qm6 n GLY 541 Ca -0.15 -2.06 -0.04 0.00 0.00 0.00 0.00 46.02 43.77 2qm6 n GLY 541 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qm6 s ASP 542 N -0.07 -1.27 -0.14 1.61 2.15 -1.26 -4.70 116.67 112.99 2qm6 s ASP 542 Ca 0.00 -1.56 -0.25 0.00 0.43 0.00 0.00 52.55 51.17 2qm6 s ASP 542 Cb 0.00 1.78 -0.02 0.00 -0.30 0.00 0.00 42.92 44.38 2qm6 s ASP 542 CO 0.00 -0.09 0.81 -0.69 -0.17 0.00 0.00 175.17 175.03 2qm6 s VAL 543 N 1.09 4.92 -0.26 1.11 1.01 -1.26 -4.28 120.40 122.72 2qm6 s VAL 543 Ca 0.26 1.61 -0.05 0.00 0.00 0.00 0.00 61.98 63.81 2qm6 s VAL 543 Cb -0.01 -4.13 0.01 0.00 0.00 0.00 0.00 36.38 32.25 2qm6 s VAL 543 CO -0.06 0.08 0.02 0.20 0.00 0.00 0.00 175.10 175.34 2qm6 s ASN 544 N 1.08 4.73 0.04 3.32 0.01 -1.23 -2.67 114.94 120.23 2qm6 s ASN 544 Ca 0.39 -0.66 0.03 0.00 -0.71 0.00 0.00 52.86 51.91 2qm6 s ASN 544 Cb -0.17 -1.79 -0.02 0.00 0.41 0.00 0.00 41.25 39.67 2qm6 s ASN 544 CO 0.15 -0.13 -0.09 0.00 -1.51 0.00 0.00 177.10 175.51 2qm6 s ALA 545 N 1.45 0.72 -0.06 0.60 0.00 -0.53 -4.04 121.76 119.91 2qm6 s ALA 545 Ca 0.03 -0.74 0.06 0.00 0.00 0.00 0.00 51.96 51.31 2qm6 s ALA 545 Cb -0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 2qm6 s ALA 545 CO -0.01 0.06 -0.25 0.42 0.00 0.00 0.00 175.76 175.98 2qm6 s ILE 546 N -1.14 2.01 -0.11 0.00 1.01 -0.09 -1.21 121.20 121.67 2qm6 s ILE 546 Ca -0.06 -1.04 0.01 0.00 0.00 0.00 0.00 60.65 59.56 2qm6 s ILE 546 Cb -0.09 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 2qm6 s ILE 546 CO 0.01 0.56 -0.14 -1.58 0.00 0.00 0.00 174.94 173.78 2qm6 s GLN 547 N -0.17 3.16 -0.14 2.79 0.74 0.32 -0.77 119.66 125.59 2qm6 s GLN 547 Ca -0.03 -0.70 0.00 0.00 0.05 0.00 0.00 55.36 54.68 2qm6 s GLN 547 Cb -0.13 -2.55 -0.01 0.00 1.10 0.00 0.00 33.01 31.42 2qm6 s GLN 547 CO 0.03 0.30 -0.14 0.08 -0.55 0.00 0.00 175.29 175.01 2qm6 s VAL 548 N 0.11 2.82 0.02 1.34 1.01 -0.05 -0.55 120.40 125.10 2qm6 s VAL 548 Ca -0.07 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.25 2qm6 s VAL 548 Cb -0.15 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.02 2qm6 s VAL 548 CO 0.05 0.52 -0.19 -0.76 0.00 0.00 0.00 175.10 174.72 2qm6 s LEU 549 N 0.59 2.11 0.29 3.92 1.43 -0.59 -4.53 118.68 121.91 2qm6 s LEU 549 Ca -0.08 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.28 2qm6 s LEU 549 Cb -0.16 -0.92 -0.10 0.00 0.03 0.00 0.00 46.19 45.04 2qm6 s LEU 549 CO 0.03 0.17 1.27 -2.84 0.23 0.00 0.00 176.35 175.21 2qm6 s PRO 550 N -0.88 4.42 0.08 1.29 0.02 -1.26 -0.78 135.00 137.90 2qm6 s PRO 550 Ca 0.07 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.19 2qm6 s PRO 550 Cb -0.08 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.32 2qm6 s PRO 550 CO 0.01 -0.12 0.02 0.36 -0.33 0.00 0.00 177.00 176.93 2qm6 n LYS 551 N 1.28 1.70 -0.22 5.54 2.85 0.09 -4.84 118.16 124.56 2qm6 n LYS 551 Ca 0.01 -0.59 -0.06 0.00 -1.05 0.00 0.00 58.31 56.63 2qm6 n LYS 551 Cb 0.43 0.14 -0.05 0.00 -0.65 0.00 0.00 35.03 34.89 2qm6 n LYS 551 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2qm6 n THR 552 N -0.33 -0.36 -4.04 0.58 -2.24 -1.26 -4.18 114.28 102.45 2qm6 n THR 552 Ca -0.03 1.81 -0.31 0.00 -2.27 0.00 0.00 64.05 63.26 2qm6 n THR 552 Cb 0.10 -2.29 -0.16 0.00 -2.10 0.00 0.00 70.33 65.88 2qm6 n THR 552 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2qm6 s LYS 553 N -4.46 2.41 3.01 -0.78 0.00 -1.26 -5.08 119.74 113.58 2qm6 s LYS 553 Ca -0.06 -0.60 0.00 0.00 0.00 0.00 0.00 55.97 55.31 2qm6 s LYS 553 Cb 0.06 -2.18 0.00 0.00 0.00 0.00 0.00 37.83 35.71 2qm6 s LYS 553 CO 0.33 -0.23 0.00 0.41 0.00 0.00 0.00 175.35 175.86 2qm6 n GLY 554 N 4.74 -0.23 3.38 0.59 0.00 -1.26 -4.94 105.19 107.47 2qm6 n GLY 554 Ca -0.18 -1.03 -0.28 0.00 0.00 0.00 0.00 46.02 44.54 2qm6 n GLY 554 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qm6 s SER 555 N -4.00 3.23 -0.09 1.61 0.01 -1.26 -0.73 113.70 112.46 2qm6 s SER 555 Ca 0.00 -0.77 -0.01 0.00 1.31 0.00 0.00 55.95 56.48 2qm6 s SER 555 Cb 0.00 -0.21 -0.03 0.00 0.21 0.00 0.00 66.02 65.98 2qm6 s SER 555 CO 0.00 0.15 -0.03 -0.69 0.41 0.00 0.00 173.24 173.08 2qm6 s VAL 556 N -1.20 4.07 -0.22 3.43 1.01 0.04 -4.87 120.40 122.66 2qm6 s VAL 556 Ca 0.14 -0.33 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 2qm6 s VAL 556 Cb -0.10 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.56 2qm6 s VAL 556 CO 0.06 0.58 -0.01 -0.36 0.00 0.00 0.00 175.10 175.38 2qm6 s PHE 557 N -0.65 3.00 -0.09 5.22 0.40 -1.26 -1.53 117.98 123.07 2qm6 s PHE 557 Ca 0.10 -0.69 0.01 0.00 -0.60 0.00 0.00 56.93 55.75 2qm6 s PHE 557 Cb -0.12 -2.12 -0.02 0.00 0.51 0.00 0.00 43.02 41.27 2qm6 s PHE 557 CO 0.02 -0.41 -0.11 0.71 0.70 0.00 0.00 175.22 176.13 2qm6 s TYR 558 N 1.33 2.83 0.19 0.36 2.02 0.28 -4.99 117.35 119.37 2qm6 s TYR 558 Ca 0.04 -0.24 0.11 0.00 -0.37 0.00 0.00 57.07 56.61 2qm6 s TYR 558 Cb -0.15 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.63 2qm6 s TYR 558 CO -0.00 0.11 -0.23 0.20 -1.57 0.00 0.00 175.55 174.06 2qm6 s GLY 559 N -0.38 1.70 -0.08 0.71 0.00 -1.26 -0.52 107.32 107.49 2qm6 s GLY 559 Ca 0.05 -1.62 -0.04 0.00 0.00 0.00 0.00 44.72 43.11 2qm6 s GLY 559 CO 0.02 -1.64 0.19 -0.45 0.00 0.00 0.00 173.10 171.22 2qm6 s SER 560 N -2.64 -0.17 0.65 1.64 0.15 -0.35 -4.78 113.70 108.19 2qm6 s SER 560 Ca 0.21 0.39 0.01 0.00 0.70 0.00 0.00 55.95 57.26 2qm6 s SER 560 Cb -0.08 0.28 0.09 0.00 -1.71 0.00 0.00 66.02 64.60 2qm6 s SER 560 CO 0.10 -0.15 0.90 0.42 1.20 0.00 0.00 173.24 175.70 2qm6 s THR 561 N 1.19 2.34 -0.20 6.45 -4.23 -1.26 -1.46 115.64 118.47 2qm6 s THR 561 Ca -0.09 -0.64 -0.09 0.00 -1.18 0.00 0.00 61.69 59.68 2qm6 s THR 561 Cb -0.11 -2.70 -0.05 0.00 1.34 0.00 0.00 72.50 70.99 2qm6 s THR 561 CO -0.07 0.00 0.12 -0.62 -0.54 0.00 0.00 174.62 173.51 2qm6 s ASP 562 N -4.61 6.06 0.65 3.99 -1.08 -1.09 -4.91 116.67 115.69 2qm6 s ASP 562 Ca 0.62 0.18 0.36 0.00 -0.52 0.00 0.00 52.55 53.20 2qm6 s ASP 562 Cb -0.07 -2.06 1.97 0.00 -1.46 0.00 0.00 42.92 41.30 2qm6 s ASP 562 CO 0.42 0.17 2.16 -0.65 0.52 0.00 0.00 175.17 177.78 2qm6 h PRO 563 N 6.75 0.00 0.00 4.34 0.11 -1.92 -2.40 132.00 138.88 2qm6 h PRO 563 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2qm6 h PRO 563 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2qm6 h PRO 563 CO 0.74 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.53 2qm6 h ARG 564 N 0.00 0.00 0.00 1.05 3.08 -1.93 -3.54 114.38 113.04 2qm6 h ARG 564 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2qm6 h ARG 564 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2qm6 h ARG 564 CO -0.00 0.00 0.00 1.17 -1.07 0.00 0.00 179.97 180.07