#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dma n LEU 401 N 0.00 0.55 0.00 4.37 4.77 -1.26 -4.61 117.00 120.82 1dma n LEU 401 Ca 0.00 0.57 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 1dma n LEU 401 Cb 0.00 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1dma n LEU 401 CO 0.00 -0.24 0.00 0.61 -1.33 0.00 0.00 177.39 176.43 1dma n GLY 402 N 0.94 0.70 0.11 -0.72 0.00 -1.26 -4.79 105.19 100.16 1dma n GLY 402 Ca 0.05 -1.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.01 1dma n GLY 402 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dma n ASP 403 N 3.35 0.06 0.00 1.61 5.75 -1.26 -5.10 116.55 120.97 1dma n ASP 403 Ca 0.00 -1.07 0.00 0.00 -0.01 0.00 0.00 54.79 53.71 1dma n ASP 403 Cb 0.00 0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1dma n ASP 403 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dma n GLY 404 N 0.18 0.31 0.00 6.12 0.00 -1.26 -5.02 105.19 105.53 1dma n GLY 404 Ca 0.00 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.19 1dma n GLY 404 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dma n GLY 405 N 0.00 0.80 3.02 -0.02 0.00 -1.26 -5.05 105.19 102.68 1dma n GLY 405 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1dma n GLY 405 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1dma s ASP 406 N -1.02 3.52 0.12 1.61 1.11 -1.26 -5.09 116.67 115.66 1dma s ASP 406 Ca 0.00 -0.94 -0.31 0.00 0.18 0.00 0.00 52.55 51.48 1dma s ASP 406 Cb 0.00 -1.31 -0.08 0.00 1.07 0.00 0.00 42.92 42.60 1dma s ASP 406 CO 0.00 -0.14 1.37 -0.69 1.18 0.00 0.00 175.17 176.89 1dma s VAL 407 N 1.34 3.33 -0.08 -1.27 1.01 -1.26 -4.43 120.40 119.05 1dma s VAL 407 Ca -0.02 0.97 -0.03 0.00 0.00 0.00 0.00 61.98 62.90 1dma s VAL 407 Cb -0.16 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.64 1dma s VAL 407 CO -0.08 0.08 0.17 -0.55 0.00 0.00 0.00 175.10 174.72 1dma s SER 408 N 1.03 0.20 0.09 3.32 0.15 -1.09 -4.95 113.70 112.45 1dma s SER 408 Ca 0.63 0.36 -0.28 0.00 0.70 0.00 0.00 55.95 57.36 1dma s SER 408 Cb -0.36 0.28 -0.06 0.00 -1.71 0.00 0.00 66.02 64.17 1dma s SER 408 CO 0.31 -0.19 0.90 -0.36 1.20 0.00 0.00 173.24 175.10 1dma s PHE 409 N 1.66 3.79 -0.00 3.44 0.40 -1.26 0.13 117.98 126.14 1dma s PHE 409 Ca -0.04 1.70 -0.13 0.00 -0.60 0.00 0.00 56.93 57.86 1dma s PHE 409 Cb -0.12 -2.98 0.02 0.00 0.51 0.00 0.00 43.02 40.45 1dma s PHE 409 CO -0.06 0.23 0.28 0.45 0.70 0.00 0.00 175.22 176.81 1dma s SER 410 N -0.03 -0.14 0.56 1.36 0.15 -1.17 -4.89 113.70 109.54 1dma s SER 410 Ca 0.44 -0.02 0.27 0.00 0.70 0.00 0.00 55.95 57.35 1dma s SER 410 Cb -0.22 0.30 1.65 0.00 -1.71 0.00 0.00 66.02 66.04 1dma s SER 410 CO 0.28 -0.47 2.20 0.74 1.20 0.00 0.00 173.24 177.19 1dma h THR 411 N 3.81 0.61 0.00 6.45 2.02 -1.93 0.53 112.91 124.40 1dma h THR 411 Ca -0.30 -0.14 -0.06 0.00 0.77 0.00 0.00 66.41 66.68 1dma h THR 411 Cb 1.18 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 1dma h THR 411 CO 0.41 0.03 -0.29 -0.09 0.37 0.00 0.00 175.52 175.96 1dma h ARG 412 N 0.00 0.00 0.00 6.66 2.43 -1.96 -3.44 114.38 118.07 1dma h ARG 412 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1dma h ARG 412 Cb 0.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 1dma h ARG 412 CO 0.00 0.29 0.00 0.41 -1.51 0.00 0.00 179.97 179.16 1dma n GLY 413 N -0.32 4.04 3.57 2.80 0.00 0.18 -5.03 105.19 110.44 1dma n GLY 413 Ca -0.01 -1.63 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 1dma n GLY 413 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1dma s THR 414 N -2.30 3.20 0.24 2.61 2.01 -1.26 -3.06 115.64 117.08 1dma s THR 414 Ca 0.00 0.17 -0.31 0.00 0.31 0.00 0.00 61.69 61.85 1dma s THR 414 Cb 0.00 -3.37 -0.13 0.00 0.01 0.00 0.00 72.50 69.01 1dma s THR 414 CO 0.00 -0.31 1.52 0.00 -0.69 0.00 0.00 174.62 175.14 1dma n GLN 415 N 8.86 2.32 -2.32 4.92 3.00 0.36 -3.16 117.38 131.34 1dma n GLN 415 Ca 0.28 0.83 -0.21 0.00 -0.01 0.00 0.00 57.00 57.89 1dma n GLN 415 Cb 0.50 -2.55 -0.02 0.00 0.00 0.00 0.00 30.24 28.17 1dma n GLN 415 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1dma n ASN 416 N 2.48 -5.83 -4.06 1.08 5.03 -1.26 -2.66 115.26 110.03 1dma n ASN 416 Ca 0.12 0.03 -0.32 0.00 0.87 0.00 0.00 54.58 55.28 1dma n ASN 416 Cb 0.33 -4.87 -0.15 0.00 -1.02 0.00 0.00 39.78 34.07 1dma n ASN 416 CO 0.00 0.00 0.00 0.86 -1.83 0.00 0.00 177.26 176.29 1dma s TRP 417 N -3.01 3.27 0.23 3.10 -0.11 -1.19 -4.68 118.94 116.55 1dma s TRP 417 Ca 0.00 -2.36 0.07 0.00 1.22 0.00 0.00 56.10 55.03 1dma s TRP 417 Cb 0.00 -2.00 -0.04 0.00 -1.50 0.00 0.00 33.47 29.93 1dma s TRP 417 CO 0.00 -0.88 0.12 0.95 -4.62 0.00 0.00 176.95 172.52 1dma s THR 418 N 1.10 4.16 0.49 5.86 -4.23 -1.26 -4.97 115.64 116.79 1dma s THR 418 Ca -0.07 -1.45 0.36 0.00 -1.18 0.00 0.00 61.69 59.35 1dma s THR 418 Cb -0.20 -3.20 0.38 0.00 1.34 0.00 0.00 72.50 70.82 1dma s THR 418 CO -0.05 -0.28 2.21 0.58 -0.54 0.00 0.00 174.62 176.53 1dma h VAL 419 N 1.79 0.23 0.80 2.29 2.07 -1.98 0.53 116.25 121.99 1dma h VAL 419 Ca -0.47 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 1dma h VAL 419 Cb 1.23 1.18 0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1dma h VAL 419 CO 0.61 0.03 -0.39 -0.33 0.02 0.00 0.00 177.57 177.51 1dma h GLU 420 N 0.00 -1.04 -0.93 1.57 3.07 -2.00 0.45 114.58 115.70 1dma h GLU 420 Ca -0.00 0.07 0.20 0.00 -0.50 0.00 0.00 59.36 59.13 1dma h GLU 420 Cb 0.18 0.24 -0.11 0.00 -0.84 0.00 0.00 28.75 28.22 1dma h GLU 420 CO 0.00 -0.69 0.50 0.00 -1.40 0.00 0.00 179.01 177.42 1dma h ARG 421 N -1.11 0.57 0.08 2.33 3.08 -1.49 0.44 114.38 118.27 1dma h ARG 421 Ca -0.11 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 59.92 1dma h ARG 421 Cb 0.83 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.73 1dma h ARG 421 CO 0.18 0.38 -0.15 1.25 -1.07 0.00 0.00 179.97 180.56 1dma h LEU 422 N 0.59 -0.40 -1.51 3.04 5.85 -0.49 -1.07 115.31 121.32 1dma h LEU 422 Ca 0.55 0.05 0.05 0.00 0.84 0.00 0.00 57.88 59.38 1dma h LEU 422 Cb 0.93 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 1dma h LEU 422 CO -0.43 -0.21 0.40 -0.07 -0.34 0.00 0.00 178.44 177.78 1dma h LEU 423 N -0.28 0.53 -0.04 2.25 -0.00 0.13 0.22 115.31 118.12 1dma h LEU 423 Ca 0.02 -0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.80 1dma h LEU 423 Cb 0.30 -0.12 0.01 0.00 -0.00 0.00 0.00 40.66 40.85 1dma h LEU 423 CO -0.09 0.35 -0.36 1.56 -0.00 0.00 0.00 178.44 179.91 1dma h GLN 424 N 0.61 0.32 0.00 1.13 7.50 -1.01 -1.46 115.11 122.21 1dma h GLN 424 Ca 0.26 -0.29 -0.00 0.00 0.50 0.00 0.00 58.65 59.12 1dma h GLN 424 Cb 0.23 0.07 -0.00 0.00 0.05 0.00 0.00 27.48 27.83 1dma h GLN 424 CO -0.07 0.95 -0.01 0.00 -1.50 0.00 0.00 178.83 178.20 1dma h ALA 425 N 0.38 1.01 0.17 3.87 0.00 -0.90 -1.19 119.26 122.60 1dma h ALA 425 Ca -0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 1dma h ALA 425 Cb 1.04 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.86 1dma h ALA 425 CO 0.07 0.01 -1.06 1.25 0.00 0.00 0.00 179.25 179.53 1dma h HIS 426 N 0.00 0.67 -0.70 0.00 -0.00 -0.87 -3.00 115.15 111.25 1dma h HIS 426 Ca -0.00 -0.49 -0.07 0.00 -0.00 0.00 0.00 60.37 59.82 1dma h HIS 426 Cb 0.40 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.76 1dma h HIS 426 CO 0.00 1.40 0.17 0.00 -0.00 0.00 0.00 177.93 179.51 1dma h ARG 427 N -0.22 1.12 -0.58 5.26 3.08 -0.83 -1.18 114.38 121.04 1dma h ARG 427 Ca -0.19 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.60 1dma h ARG 427 Cb 1.81 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 31.68 1dma h ARG 427 CO 0.18 0.98 0.37 1.96 -1.07 0.00 0.00 179.97 182.40 1dma h GLN 428 N 1.06 0.78 -0.65 0.04 4.20 -1.31 -2.16 115.11 117.06 1dma h GLN 428 Ca 0.22 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.81 1dma h GLN 428 Cb 0.37 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.95 1dma h GLN 428 CO 0.00 0.53 0.15 -0.07 -0.67 0.00 0.00 178.83 178.78 1dma h LEU 429 N 0.79 0.97 -1.61 1.46 3.38 -1.34 -2.54 115.31 116.42 1dma h LEU 429 Ca 0.21 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1dma h LEU 429 Cb -0.06 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1dma h LEU 429 CO -0.04 0.93 -0.22 -0.33 0.09 0.00 0.00 178.44 178.87 1dma h GLU 430 N 0.98 0.00 -0.00 1.13 5.08 -1.00 -0.85 114.58 119.92 1dma h GLU 430 Ca 0.21 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1dma h GLU 430 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1dma h GLU 430 CO 0.00 0.22 -0.06 0.39 -1.00 0.00 0.00 179.01 178.56 1dma n GLU 431 N -3.98 0.04 -0.18 2.33 1.02 -0.83 -3.31 120.64 115.73 1dma n GLU 431 Ca -0.02 -0.00 0.07 0.00 -0.02 0.00 0.00 57.16 57.18 1dma n GLU 431 Cb 0.29 -1.50 0.14 0.00 -0.02 0.00 0.00 31.44 30.36 1dma n GLU 431 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1dma n ARG 432 N -1.48 2.41 -0.62 3.49 5.12 -0.96 -5.00 116.66 119.63 1dma n ARG 432 Ca 0.07 -2.32 0.00 0.00 -1.93 0.00 0.00 57.85 53.68 1dma n ARG 432 Cb 0.33 -1.44 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 1dma n ARG 432 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1dma n GLY 433 N -0.62 0.79 3.80 -0.13 0.00 -1.11 -4.99 105.19 102.94 1dma n GLY 433 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1dma n GLY 433 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dma s TYR 434 N -3.09 3.66 -0.04 1.61 1.51 -0.37 0.43 117.35 121.07 1dma s TYR 434 Ca 0.00 1.57 0.02 0.00 -1.01 0.00 0.00 57.07 57.66 1dma s TYR 434 Cb 0.00 -2.76 0.01 0.00 -0.11 0.00 0.00 41.96 39.10 1dma s TYR 434 CO 0.00 0.27 -0.10 0.14 -1.11 0.00 0.00 175.55 174.76 1dma s VAL 435 N -1.57 0.87 0.16 0.71 -7.23 0.44 -4.13 120.40 109.64 1dma s VAL 435 Ca 0.47 -0.38 -0.32 0.00 -1.81 0.00 0.00 61.98 59.94 1dma s VAL 435 Cb -0.17 -0.79 -0.10 0.00 0.56 0.00 0.00 36.38 35.87 1dma s VAL 435 CO 0.22 0.28 1.65 0.12 -0.31 0.00 0.00 175.10 177.06 1dma s PHE 436 N 0.38 2.84 -0.48 2.82 2.19 -1.26 -1.57 117.98 122.90 1dma s PHE 436 Ca -0.07 0.44 0.04 0.00 0.33 0.00 0.00 56.93 57.68 1dma s PHE 436 Cb -0.11 -4.02 0.02 0.00 -1.31 0.00 0.00 43.02 37.60 1dma s PHE 436 CO 0.01 -3.88 0.54 1.33 1.83 0.00 0.00 175.22 175.06 1dma n VAL 437 N 4.15 0.00 -0.78 3.12 0.24 0.19 -4.51 118.33 120.73 1dma n VAL 437 Ca 0.15 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.97 1dma n VAL 437 Cb 0.38 1.07 0.00 0.00 -1.47 0.00 0.00 33.84 33.82 1dma n VAL 437 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1dma n GLY 438 N 0.43 -0.03 3.78 7.63 0.00 -1.25 -4.52 105.19 111.23 1dma n GLY 438 Ca 0.02 -1.70 -0.22 0.00 0.00 0.00 0.00 46.02 44.12 1dma n GLY 438 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dma s TYR 439 N -1.92 3.01 -0.16 1.61 1.51 0.14 -1.54 117.35 120.00 1dma s TYR 439 Ca 0.00 -0.14 -0.03 0.00 -1.01 0.00 0.00 57.07 55.89 1dma s TYR 439 Cb 0.00 -1.36 0.05 0.00 -0.11 0.00 0.00 41.96 40.54 1dma s TYR 439 CO 0.00 0.54 0.03 -1.58 -1.11 0.00 0.00 175.55 173.43 1dma s HIS 440 N -2.18 0.86 -0.15 2.71 2.46 0.84 -0.19 115.29 119.64 1dma s HIS 440 Ca 0.33 -0.65 -0.15 0.00 0.47 0.00 0.00 55.06 55.06 1dma s HIS 440 Cb -0.07 -0.94 -0.05 0.00 -0.13 0.00 0.00 32.58 31.39 1dma s HIS 440 CO 0.24 -0.54 0.33 0.20 -2.47 0.00 0.00 174.74 172.50 1dma s GLY 441 N 1.91 2.25 0.36 1.59 0.00 -1.25 -1.84 107.32 110.34 1dma s GLY 441 Ca 0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 44.72 44.28 1dma s GLY 441 CO -0.07 0.48 0.56 -0.37 0.00 0.00 0.00 173.10 173.69 1dma n THR 442 N 3.51 0.00 -2.67 0.90 5.66 -0.76 -4.65 114.28 116.27 1dma n THR 442 Ca -0.11 -1.59 -0.25 0.00 -3.05 0.00 0.00 64.05 59.04 1dma n THR 442 Cb 0.52 1.07 0.02 0.00 -1.55 0.00 0.00 70.33 70.38 1dma n THR 442 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 1dma s PHE 443 N -2.77 3.31 0.18 1.09 -0.71 -1.26 -0.07 117.98 117.75 1dma s PHE 443 Ca 0.26 0.53 -0.25 0.00 -1.04 0.00 0.00 56.93 56.43 1dma s PHE 443 Cb -0.02 -2.49 0.05 0.00 -1.21 0.00 0.00 43.02 39.36 1dma s PHE 443 CO 0.19 -0.53 1.56 -0.07 -1.34 0.00 0.00 175.22 175.02 1dma h LEU 444 N 0.12 -1.65 -0.57 -1.99 3.38 -1.87 -0.79 115.31 111.95 1dma h LEU 444 Ca -0.46 0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1dma h LEU 444 Cb 1.24 0.76 0.00 0.00 0.09 0.00 0.00 40.66 42.76 1dma h LEU 444 CO 0.60 -0.31 0.00 1.05 0.09 0.00 0.00 178.44 179.87 1dma h GLU 445 N -0.14 0.00 0.02 1.13 9.09 -1.96 -1.38 114.58 121.34 1dma h GLU 445 Ca 0.21 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.41 1dma h GLU 445 Cb 0.54 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.63 1dma h GLU 445 CO -0.80 0.00 -0.93 0.00 0.05 0.00 0.00 179.01 177.33 1dma h ALA 446 N 2.19 0.45 -0.24 1.06 0.00 -1.58 -1.87 119.26 119.26 1dma h ALA 446 Ca 0.00 -0.75 -0.10 0.00 0.00 0.00 0.00 54.91 54.06 1dma h ALA 446 Cb 0.66 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1dma h ALA 446 CO 0.00 0.94 -0.23 0.00 0.00 0.00 0.00 179.25 179.96 1dma h ALA 447 N 0.92 0.35 -0.25 0.00 0.00 -0.89 -2.69 119.26 116.71 1dma h ALA 447 Ca -0.05 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.55 1dma h ALA 447 Cb 1.58 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 19.22 1dma h ALA 447 CO 0.14 0.32 -0.30 0.37 0.00 0.00 0.00 179.25 179.78 1dma h GLN 448 N 0.29 -0.29 0.19 0.00 5.75 -1.14 -1.84 115.11 118.06 1dma h GLN 448 Ca 0.04 0.02 0.01 0.00 -0.15 0.00 0.00 58.65 58.57 1dma h GLN 448 Cb 0.79 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.37 1dma h GLN 448 CO 0.06 -0.20 -0.32 1.03 -2.65 0.00 0.00 178.83 176.75 1dma h SER 449 N -0.31 -0.91 -0.42 -0.69 0.87 -1.32 -1.79 113.55 108.98 1dma h SER 449 Ca 0.13 0.10 0.05 0.00 -1.23 0.00 0.00 61.79 60.84 1dma h SER 449 Cb 0.52 0.33 -0.04 0.00 -0.44 0.00 0.00 62.40 62.77 1dma h SER 449 CO -0.42 -0.43 0.16 0.40 -0.53 0.00 0.00 176.83 176.02 1dma h ILE 450 N -0.59 0.90 -0.16 2.23 2.04 -1.33 1.02 117.51 121.61 1dma h ILE 450 Ca 0.01 -0.12 -0.18 0.00 1.00 0.00 0.00 64.86 65.58 1dma h ILE 450 Cb 0.59 0.52 0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1dma h ILE 450 CO -0.15 0.06 -0.61 0.58 0.00 0.00 0.00 178.15 178.03 1dma h VAL 451 N 0.34 1.31 0.00 1.67 2.07 -1.31 -1.19 116.25 119.15 1dma h VAL 451 Ca 0.19 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1dma h VAL 451 Cb 0.16 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1dma h VAL 451 CO -0.18 0.58 -1.51 0.49 0.02 0.00 0.00 177.57 176.97 1dma n PHE 452 N -4.09 0.00 -0.02 1.57 3.72 -0.68 -4.53 117.46 113.43 1dma n PHE 452 Ca -0.07 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.33 1dma n PHE 452 Cb 0.66 -0.26 -0.06 0.00 -0.94 0.00 0.00 39.48 38.87 1dma n PHE 452 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dma n GLY 453 N 1.39 -0.37 0.00 1.37 0.00 0.35 -5.04 105.19 102.88 1dma n GLY 453 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1dma n GLY 453 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dma n GLY 454 N 2.29 2.47 3.67 -0.02 0.00 -0.45 -4.95 105.19 108.21 1dma n GLY 454 Ca -0.07 -1.91 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1dma n GLY 454 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dma s VAL 455 N -2.94 4.77 0.08 1.61 1.01 -1.26 -4.22 120.40 119.46 1dma s VAL 455 Ca 0.00 1.92 0.05 0.00 0.00 0.00 0.00 61.98 63.94 1dma s VAL 455 Cb 0.00 -4.26 -0.03 0.00 0.00 0.00 0.00 36.38 32.09 1dma s VAL 455 CO 0.00 -0.06 -0.13 -0.13 0.00 0.00 0.00 175.10 174.78 1dma s ARG 456 N 2.51 0.81 0.11 2.72 0.52 -1.26 -4.29 118.95 120.07 1dma s ARG 456 Ca 0.44 -1.01 -0.06 0.00 -0.52 0.00 0.00 55.73 54.58 1dma s ARG 456 Cb -0.17 -0.71 -0.16 0.00 0.52 0.00 0.00 34.95 34.44 1dma s ARG 456 CO 0.12 0.14 1.24 0.00 0.02 0.00 0.00 175.30 176.83 1dma h ALA 457 N 4.07 0.26 -0.04 2.13 0.00 -1.96 -3.50 119.26 120.22 1dma h ALA 457 Ca -0.39 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 53.76 1dma h ALA 457 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1dma h ALA 457 CO 0.44 0.83 0.00 0.54 0.00 0.00 0.00 179.25 181.06 1dma n ARG 458 N -3.71 0.00 0.00 0.00 1.74 -1.26 -4.84 116.66 108.59 1dma n ARG 458 Ca -0.08 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1dma n ARG 458 Cb 0.89 -0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.33 1dma n ARG 458 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1dma n SER 459 N 0.00 0.75 -4.43 0.55 2.88 -1.26 -4.77 113.62 107.35 1dma n SER 459 Ca 0.00 -1.39 -0.25 0.00 -1.33 0.00 0.00 58.87 55.90 1dma n SER 459 Cb 0.00 -0.35 -0.11 0.00 -0.75 0.00 0.00 64.21 63.00 1dma n SER 459 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 1dma s GLN 460 N -0.95 1.54 -1.28 -1.46 0.74 -1.26 -4.75 119.66 112.25 1dma s GLN 460 Ca 0.00 -1.60 -0.07 0.00 0.05 0.00 0.00 55.36 53.74 1dma s GLN 460 Cb 0.00 -1.74 0.01 0.00 1.10 0.00 0.00 33.01 32.38 1dma s GLN 460 CO 0.00 0.35 1.11 -0.25 -0.55 0.00 0.00 175.29 175.95 1dma n ASP 461 N -0.06 -5.66 0.29 6.67 8.00 -1.26 -4.86 116.55 119.66 1dma n ASP 461 Ca -0.10 -0.52 0.19 0.00 0.71 0.00 0.00 54.79 55.06 1dma n ASP 461 Cb 0.58 -4.84 0.97 0.00 -0.02 0.00 0.00 41.12 37.81 1dma n ASP 461 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1dma h LEU 462 N -2.49 0.00 -2.97 0.64 -0.00 -1.89 -2.36 115.31 106.24 1dma h LEU 462 Ca -0.55 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.33 1dma h LEU 462 Cb 1.35 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.01 1dma h LEU 462 CO 0.53 0.00 0.00 0.47 -0.00 0.00 0.00 178.44 179.44 1dma n ASP 463 N -3.35 2.87 -4.67 -0.43 8.00 -1.26 -4.97 116.55 112.73 1dma n ASP 463 Ca -0.01 -2.20 -0.44 0.00 0.71 0.00 0.00 54.79 52.85 1dma n ASP 463 Cb 0.23 -0.24 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 1dma n ASP 463 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dma n ALA 464 N 0.09 1.38 -0.26 2.24 0.00 -0.89 -4.84 120.51 118.22 1dma n ALA 464 Ca 0.11 0.24 0.07 0.00 0.00 0.00 0.00 53.44 53.86 1dma n ALA 464 Cb 0.47 -2.62 0.21 0.00 0.00 0.00 0.00 19.45 17.51 1dma n ALA 464 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1dma h ILE 465 N 5.55 0.47 -0.82 0.00 1.08 -1.92 -2.62 117.51 119.25 1dma h ILE 465 Ca -0.49 -0.09 -0.32 0.00 -0.39 0.00 0.00 64.86 63.56 1dma h ILE 465 Cb 1.25 0.18 -0.19 0.00 -3.07 0.00 0.00 36.82 34.99 1dma h ILE 465 CO 0.94 0.05 0.39 0.79 -0.69 0.00 0.00 178.15 179.64 1dma n TRP 466 N -5.17 2.63 -2.12 1.37 7.02 -1.26 -3.88 117.44 116.03 1dma n TRP 466 Ca 0.16 -1.44 -0.41 0.00 -1.02 0.00 0.00 57.50 54.79 1dma n TRP 466 Cb 0.51 -0.77 -0.03 0.00 -2.42 0.00 0.00 31.31 28.60 1dma n TRP 466 CO 0.00 0.00 0.00 -0.98 -2.02 0.00 0.00 177.69 174.69 1dma s ARG 467 N -3.11 4.34 0.00 -0.99 1.70 -0.99 -4.96 118.95 114.94 1dma s ARG 467 Ca 0.55 2.19 0.00 0.00 -0.47 0.00 0.00 55.73 58.00 1dma s ARG 467 Cb 0.45 -3.13 0.00 0.00 -0.57 0.00 0.00 34.95 31.71 1dma s ARG 467 CO 0.12 -0.29 0.00 0.41 -1.08 0.00 0.00 175.30 174.47 1dma n GLY 468 N 1.84 -0.98 3.24 3.88 0.00 -1.26 -4.39 105.19 107.53 1dma n GLY 468 Ca 0.04 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.70 1dma n GLY 468 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1dma s PHE 469 N -2.00 3.05 0.12 1.61 5.36 0.11 -4.84 117.98 121.39 1dma s PHE 469 Ca 0.00 -1.34 -0.24 0.00 -0.96 0.00 0.00 56.93 54.39 1dma s PHE 469 Cb 0.00 -2.10 -0.07 0.00 -0.34 0.00 0.00 43.02 40.51 1dma s PHE 469 CO 0.00 -0.67 0.73 0.71 -1.46 0.00 0.00 175.22 174.53 1dma s TYR 470 N 1.38 3.85 0.26 10.12 1.51 -1.26 -0.58 117.35 132.63 1dma s TYR 470 Ca 0.02 1.52 0.03 0.00 -1.01 0.00 0.00 57.07 57.63 1dma s TYR 470 Cb -0.16 -2.73 -0.04 0.00 -0.11 0.00 0.00 41.96 38.93 1dma s TYR 470 CO -0.03 0.47 0.19 0.96 -1.11 0.00 0.00 175.55 176.04 1dma s ILE 471 N -0.89 0.01 -0.11 2.71 -4.36 -0.04 -4.76 121.20 113.76 1dma s ILE 471 Ca 0.35 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 58.64 1dma s ILE 471 Cb -0.22 -2.50 0.03 0.00 1.25 0.00 0.00 42.46 41.02 1dma s ILE 471 CO 0.24 0.00 0.30 0.00 0.24 0.00 0.00 174.94 175.72 1dma s ALA 472 N -3.85 -0.73 0.13 2.27 0.00 0.74 -0.85 121.76 119.47 1dma s ALA 472 Ca 0.40 0.90 -0.23 0.00 0.00 0.00 0.00 51.96 53.03 1dma s ALA 472 Cb 0.05 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 1dma s ALA 472 CO 0.19 -0.15 1.67 0.78 0.00 0.00 0.00 175.76 178.24 1dma h GLY 473 N 5.96 -0.13 -5.87 0.00 0.00 -1.79 0.41 103.07 101.65 1dma h GLY 473 Ca -0.29 0.19 -0.59 0.00 0.00 0.00 0.00 47.33 46.65 1dma h GLY 473 CO 0.33 -0.16 -0.19 0.51 0.00 0.00 0.00 176.54 177.03 1dma s ASP 474 N -5.03 6.55 0.41 0.19 1.47 -1.26 -4.52 116.67 114.48 1dma s ASP 474 Ca -0.14 0.65 0.29 0.00 1.18 0.00 0.00 52.55 54.52 1dma s ASP 474 Cb 0.10 -2.25 1.42 0.00 -0.34 0.00 0.00 42.92 41.85 1dma s ASP 474 CO 0.67 -0.01 1.87 1.55 0.68 0.00 0.00 175.17 179.93 1dma h PRO 475 N 6.92 0.00 -0.07 2.11 0.13 -1.97 -0.35 132.00 138.77 1dma h PRO 475 Ca -0.39 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.77 1dma h PRO 475 Cb 1.17 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 1dma h PRO 475 CO 0.75 0.00 -0.11 0.00 -0.23 0.00 0.00 178.00 178.41 1dma h ALA 476 N 2.07 -0.06 -0.01 -0.56 0.00 -1.92 0.77 119.26 119.54 1dma h ALA 476 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1dma h ALA 476 Cb 0.16 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1dma h ALA 476 CO 0.00 -0.57 -0.01 1.25 0.00 0.00 0.00 179.25 179.92 1dma h LEU 477 N -0.15 0.03 -0.79 0.00 6.46 -1.30 -3.11 115.31 116.45 1dma h LEU 477 Ca 0.06 -0.46 0.11 0.00 -0.12 0.00 0.00 57.88 57.48 1dma h LEU 477 Cb 0.24 -0.01 -0.08 0.00 -0.73 0.00 0.00 40.66 40.08 1dma h LEU 477 CO -0.16 0.48 0.42 0.00 -0.62 0.00 0.00 178.44 178.56 1dma h ALA 478 N 0.55 1.14 -0.49 1.25 0.00 -1.33 -0.08 119.26 120.29 1dma h ALA 478 Ca 0.00 0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.11 1dma h ALA 478 Cb 0.47 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1dma h ALA 478 CO 0.00 -0.02 0.48 -0.92 0.00 0.00 0.00 179.25 178.80 1dma h TYR 479 N 0.67 0.00 0.00 0.00 3.20 0.63 -0.55 116.97 120.91 1dma h TYR 479 Ca 0.40 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.27 1dma h TYR 479 Cb 0.46 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.73 1dma h TYR 479 CO -0.09 0.00 0.16 0.41 -1.64 0.00 0.00 178.16 177.00 1dma n GLY 480 N -1.53 -0.64 3.34 1.82 0.00 -0.04 -4.52 105.19 103.61 1dma n GLY 480 Ca 0.09 0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1dma n GLY 480 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dma s TYR 481 N -3.27 2.74 0.00 1.61 1.51 -0.21 -5.06 117.35 114.67 1dma s TYR 481 Ca -0.01 -0.70 0.00 0.00 -1.01 0.00 0.00 57.07 55.35 1dma s TYR 481 Cb 0.04 -1.79 0.00 0.00 -0.11 0.00 0.00 41.96 40.09 1dma s TYR 481 CO 0.12 -0.23 0.00 0.00 -1.11 0.00 0.00 175.55 174.33 1dma n ALA 482 N 3.42 0.00 -0.16 3.71 0.00 -1.26 -3.89 120.51 122.33 1dma n ALA 482 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1dma n ALA 482 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1dma n ALA 482 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1dma n GLN 483 N 0.00 0.00 0.00 0.00 7.27 -1.26 -4.19 117.38 119.20 1dma n GLN 483 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1dma n GLN 483 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 1dma n GLN 483 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 1dma n ILE 493 N 0.00 0.00 -2.74 1.69 0.13 -1.26 -5.00 119.36 112.18 1dma n ILE 493 Ca 0.00 0.00 -0.05 0.00 -1.10 0.00 0.00 62.75 61.60 1dma n ILE 493 Cb 0.00 0.00 0.04 0.00 -0.84 0.00 0.00 39.64 38.84 1dma n ILE 493 CO 0.00 0.00 0.00 -1.14 2.80 0.00 0.00 176.55 178.21 1dma n ARG 494 N 0.00 1.40 -0.53 9.51 0.00 -1.26 -5.09 116.66 120.68 1dma n ARG 494 Ca 0.00 -3.33 0.00 0.00 -0.00 0.00 0.00 57.85 54.52 1dma n ARG 494 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 32.46 31.08 1dma n ARG 494 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 1dma n ASN 495 N -0.32 -2.73 0.00 6.15 4.05 -1.26 -4.96 115.26 116.20 1dma n ASN 495 Ca 0.08 0.14 0.00 0.00 0.45 0.00 0.00 54.58 55.25 1dma n ASN 495 Cb 0.81 -0.93 0.00 0.00 1.23 0.00 0.00 39.78 40.89 1dma n ASN 495 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1dma n GLY 496 N 0.04 5.50 2.98 8.20 0.00 -1.26 -4.23 105.19 116.42 1dma n GLY 496 Ca 0.00 -2.00 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 1dma n GLY 496 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1dma s ALA 497 N -2.06 0.09 -0.10 4.61 0.00 0.90 -4.74 121.76 120.47 1dma s ALA 497 Ca 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 51.96 51.38 1dma s ALA 497 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1dma s ALA 497 CO 0.00 -0.16 0.07 -0.51 0.00 0.00 0.00 175.76 175.16 1dma s LEU 498 N -1.40 3.98 0.10 0.00 1.43 -1.26 -1.84 118.68 119.69 1dma s LEU 498 Ca -0.15 0.30 0.06 0.00 -1.03 0.00 0.00 54.13 53.31 1dma s LEU 498 Cb -0.09 -1.96 -0.03 0.00 0.03 0.00 0.00 46.19 44.13 1dma s LEU 498 CO -0.01 0.39 -0.15 -0.76 0.23 0.00 0.00 176.35 176.05 1dma s LEU 499 N -0.99 2.34 -0.14 1.79 1.43 -0.77 -2.00 118.68 120.35 1dma s LEU 499 Ca 0.15 -0.71 -0.05 0.00 -1.03 0.00 0.00 54.13 52.48 1dma s LEU 499 Cb -0.12 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.50 1dma s LEU 499 CO 0.04 -0.10 0.04 -0.13 0.23 0.00 0.00 176.35 176.43 1dma s ARG 500 N -2.20 3.51 -0.21 1.70 0.52 0.79 -0.12 118.95 122.95 1dma s ARG 500 Ca 0.04 -0.36 -0.04 0.00 -0.52 0.00 0.00 55.73 54.85 1dma s ARG 500 Cb -0.08 -3.02 -0.01 0.00 0.52 0.00 0.00 34.95 32.36 1dma s ARG 500 CO 0.03 0.49 -0.03 0.08 0.02 0.00 0.00 175.30 175.88 1dma s VAL 501 N -0.26 3.54 -0.07 3.52 1.01 -0.59 -2.14 120.40 125.40 1dma s VAL 501 Ca 0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 1dma s VAL 501 Cb -0.12 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1dma s VAL 501 CO 0.02 0.43 -0.01 -0.31 0.00 0.00 0.00 175.10 175.23 1dma s TYR 502 N 1.29 3.13 0.09 5.22 1.51 -0.80 -0.64 117.35 127.15 1dma s TYR 502 Ca 0.04 0.16 0.03 0.00 -1.01 0.00 0.00 57.07 56.29 1dma s TYR 502 Cb -0.14 -1.77 -0.03 0.00 -0.11 0.00 0.00 41.96 39.91 1dma s TYR 502 CO -0.01 0.45 -0.10 0.14 -1.11 0.00 0.00 175.55 174.93 1dma s VAL 503 N -0.90 0.88 0.38 0.71 -7.23 -0.61 -1.67 120.40 111.96 1dma s VAL 503 Ca 0.14 -1.60 -0.27 0.00 -1.81 0.00 0.00 61.98 58.44 1dma s VAL 503 Cb -0.11 -1.30 -0.10 0.00 0.56 0.00 0.00 36.38 35.43 1dma s VAL 503 CO 0.03 -0.56 1.37 -2.16 -0.31 0.00 0.00 175.10 173.47 1dma s PRO 504 N -2.73 4.07 0.00 4.82 0.04 -1.26 -0.42 135.00 139.51 1dma s PRO 504 Ca 0.04 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.41 1dma s PRO 504 Cb -0.03 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.63 1dma s PRO 504 CO -0.00 -0.47 0.85 -2.13 0.04 0.00 0.00 177.00 175.29 1dma n ARG 505 N 0.35 0.00 0.12 4.56 0.63 0.17 -2.21 116.66 120.27 1dma n ARG 505 Ca 0.02 0.36 0.07 0.00 -0.92 0.00 0.00 57.85 57.39 1dma n ARG 505 Cb 0.42 -1.53 0.02 0.00 0.45 0.00 0.00 32.46 31.82 1dma n ARG 505 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 1dma h SER 506 N 0.00 0.00 0.97 6.15 0.02 -1.88 -3.27 113.55 115.54 1dma h SER 506 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1dma h SER 506 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1dma h SER 506 CO 0.00 0.22 -0.22 -1.54 -1.14 0.00 0.00 176.83 174.15 1dma n SER 507 N -2.91 0.41 -0.23 3.07 3.41 -0.94 -3.99 113.62 112.44 1dma n SER 507 Ca -0.01 0.28 0.27 0.00 -0.26 0.00 0.00 58.87 59.16 1dma n SER 507 Cb 0.64 -0.29 0.67 0.00 -0.26 0.00 0.00 64.21 64.98 1dma n SER 507 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1dma h LEU 508 N 0.00 0.12 -2.44 1.04 3.38 -1.71 0.30 115.31 116.00 1dma h LEU 508 Ca 0.00 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1dma h LEU 508 Cb 0.59 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1dma h LEU 508 CO 0.00 0.04 -0.03 -0.65 0.09 0.00 0.00 178.44 177.89 1dma h PRO 509 N 0.11 0.00 -0.63 1.13 0.11 -1.85 -2.45 132.00 128.43 1dma h PRO 509 Ca 0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.58 1dma h PRO 509 Cb 1.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.79 1dma h PRO 509 CO -0.07 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 178.16 1dma n GLY 510 N -1.06 1.68 3.56 -0.55 0.00 0.11 -4.83 105.19 104.09 1dma n GLY 510 Ca -0.03 -0.45 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 1dma n GLY 510 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1dma s PHE 511 N -1.74 3.20 0.36 1.61 0.40 -0.93 -1.66 117.98 119.22 1dma s PHE 511 Ca 0.27 0.01 0.08 0.00 -0.60 0.00 0.00 56.93 56.69 1dma s PHE 511 Cb 0.18 -2.34 -0.05 0.00 0.51 0.00 0.00 43.02 41.32 1dma s PHE 511 CO 0.12 -0.19 0.07 0.71 0.70 0.00 0.00 175.22 176.63 1dma s TYR 512 N 1.68 2.59 0.01 0.36 1.51 -0.63 -4.97 117.35 117.90 1dma s TYR 512 Ca 0.07 -0.47 0.01 0.00 -1.01 0.00 0.00 57.07 55.67 1dma s TYR 512 Cb -0.16 -1.62 -0.01 0.00 -0.11 0.00 0.00 41.96 40.07 1dma s TYR 512 CO 0.09 0.39 -0.02 0.50 -1.11 0.00 0.00 175.55 175.40 1dma s ARG 513 N -3.78 0.20 0.10 -0.62 3.52 -1.26 -1.09 118.95 116.03 1dma s ARG 513 Ca 0.37 -0.20 -0.01 0.00 -0.13 0.00 0.00 55.73 55.76 1dma s ARG 513 Cb 0.01 -0.12 -0.04 0.00 -1.56 0.00 0.00 34.95 33.24 1dma s ARG 513 CO 0.21 0.03 0.01 -0.08 -0.81 0.00 0.00 175.30 174.65 1dma s THR 514 N -0.36 0.23 -0.09 4.11 -1.32 0.34 -4.93 115.64 113.61 1dma s THR 514 Ca -0.03 -1.88 0.14 0.00 -1.21 0.00 0.00 61.69 58.71 1dma s THR 514 Cb -0.03 -1.83 -0.24 0.00 -1.51 0.00 0.00 72.50 68.90 1dma s THR 514 CO -0.00 -0.69 0.48 -1.54 -2.21 0.00 0.00 174.62 170.65 1dma n SER 515 N -0.02 0.63 -4.47 8.08 3.41 -1.26 -4.07 113.62 115.91 1dma n SER 515 Ca -0.09 0.29 -0.30 0.00 -0.26 0.00 0.00 58.87 58.51 1dma n SER 515 Cb 0.62 0.25 0.23 0.00 -0.26 0.00 0.00 64.21 65.05 1dma n SER 515 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1dma n LEU 516 N -2.96 -0.81 -4.74 1.04 7.99 -1.26 -4.23 117.00 112.02 1dma n LEU 516 Ca -0.22 -0.05 -0.36 0.00 -0.01 0.00 0.00 56.01 55.38 1dma n LEU 516 Cb 1.08 -1.24 -0.08 0.00 -0.11 0.00 0.00 43.42 43.07 1dma n LEU 516 CO 0.44 -3.11 -0.22 0.42 -1.51 0.00 0.00 177.39 173.41 1dma s THR 517 N -2.41 5.07 0.79 -5.08 -4.23 -1.26 -3.69 115.64 104.82 1dma s THR 517 Ca 0.66 0.05 -0.12 0.00 -1.18 0.00 0.00 61.69 61.10 1dma s THR 517 Cb -0.23 -3.24 0.07 0.00 1.34 0.00 0.00 72.50 70.45 1dma s THR 517 CO 0.64 0.54 1.13 -0.76 -0.54 0.00 0.00 174.62 175.63 1dma s LEU 518 N -0.34 3.08 -1.32 4.79 2.01 -1.26 -3.89 118.68 121.75 1dma s LEU 518 Ca 0.10 2.05 0.00 0.00 0.01 0.00 0.00 54.13 56.29 1dma s LEU 518 Cb -0.12 -4.55 0.00 0.00 0.01 0.00 0.00 46.19 41.53 1dma s LEU 518 CO 0.01 -2.33 0.00 0.00 1.01 0.00 0.00 176.35 175.05 1dma n ALA 519 N -3.43 -0.38 -2.56 4.21 0.00 -1.26 -5.01 120.51 112.09 1dma n ALA 519 Ca 0.11 0.15 -0.23 0.00 0.00 0.00 0.00 53.44 53.47 1dma n ALA 519 Cb 0.52 -1.66 -0.14 0.00 0.00 0.00 0.00 19.45 18.17 1dma n ALA 519 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1dma s ALA 520 N -2.68 1.35 0.54 0.00 0.00 -1.25 -5.06 121.76 114.66 1dma s ALA 520 Ca 0.00 -0.81 0.28 0.00 0.00 0.00 0.00 51.96 51.43 1dma s ALA 520 Cb 0.00 -0.28 1.45 0.00 0.00 0.00 0.00 23.12 24.29 1dma s ALA 520 CO 0.00 0.30 1.94 -1.00 0.00 0.00 0.00 175.76 177.00 1dma h PRO 521 N 5.25 0.00 0.00 0.00 0.13 -1.95 -2.54 132.00 132.90 1dma h PRO 521 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1dma h PRO 521 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1dma h PRO 521 CO 0.46 0.00 -0.09 -1.91 -0.23 0.00 0.00 178.00 176.23 1dma n GLU 522 N -4.23 0.20 0.12 0.86 2.13 -1.26 -3.46 120.64 115.01 1dma n GLU 522 Ca 0.13 0.15 0.06 0.00 0.66 0.00 0.00 57.16 58.16 1dma n GLU 522 Cb 0.75 -1.72 0.02 0.00 0.27 0.00 0.00 31.44 30.77 1dma n GLU 522 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1dma h ALA 523 N 2.63 0.70 0.09 4.31 0.00 -1.71 -3.39 119.26 121.89 1dma h ALA 523 Ca 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.59 1dma h ALA 523 Cb 0.68 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1dma h ALA 523 CO 0.00 0.40 -0.52 0.00 0.00 0.00 0.00 179.25 179.13 1dma h ALA 524 N 1.72 -0.96 -0.42 0.00 0.00 -1.63 -0.28 119.26 117.69 1dma h ALA 524 Ca -0.04 -0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.84 1dma h ALA 524 Cb 1.25 0.90 -0.06 0.00 0.00 0.00 0.00 17.79 19.88 1dma h ALA 524 CO 0.03 -1.11 0.03 0.78 0.00 0.00 0.00 179.25 178.98 1dma h GLY 525 N -0.73 0.45 0.91 0.00 0.00 -1.78 -2.21 103.07 99.72 1dma h GLY 525 Ca 0.00 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1dma h GLY 525 CO -0.31 -0.08 -0.07 -2.09 0.00 0.00 0.00 176.54 173.99 1dma h GLU 526 N 0.15 -0.20 -0.91 4.80 4.57 -1.70 -3.01 114.58 118.28 1dma h GLU 526 Ca 0.21 0.01 0.14 0.00 -1.18 0.00 0.00 59.36 58.54 1dma h GLU 526 Cb 0.28 0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.84 1dma h GLU 526 CO -0.31 -0.06 0.59 0.28 -1.18 0.00 0.00 179.01 178.32 1dma h VAL 527 N -0.30 0.86 0.00 0.32 2.07 -0.89 0.87 116.25 119.17 1dma h VAL 527 Ca -0.02 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 1dma h VAL 527 Cb 0.23 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.02 1dma h VAL 527 CO 0.04 0.14 -0.40 -0.33 0.02 0.00 0.00 177.57 177.03 1dma h GLU 528 N 0.76 0.00 -0.27 1.57 5.08 -1.30 -0.72 114.58 119.70 1dma h GLU 528 Ca 0.46 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.71 1dma h GLU 528 Cb 0.66 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1dma h GLU 528 CO -0.22 0.40 -0.23 -0.09 -1.00 0.00 0.00 179.01 177.87 1dma h ARG 529 N 0.00 0.64 0.40 2.33 2.43 -0.72 0.11 114.38 119.57 1dma h ARG 529 Ca -0.00 -0.32 -0.02 0.00 -0.81 0.00 0.00 59.98 58.82 1dma h ARG 529 Cb 0.77 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.33 1dma h ARG 529 CO 0.05 0.92 -0.19 -0.07 -1.51 0.00 0.00 179.97 179.17 1dma h LEU 530 N 0.37 -0.46 -1.91 3.80 3.38 -1.10 -3.18 115.31 116.21 1dma h LEU 530 Ca 0.05 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1dma h LEU 530 Cb 0.78 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.65 1dma h LEU 530 CO 0.06 -0.15 -0.12 0.40 0.09 0.00 0.00 178.44 178.72 1dma h ILE 531 N -0.78 0.68 -4.11 1.22 5.03 -1.16 -3.47 117.51 114.92 1dma h ILE 531 Ca -0.06 -0.50 -0.25 0.00 -0.12 0.00 0.00 64.86 63.93 1dma h ILE 531 Cb 0.53 1.31 0.09 0.00 -3.03 0.00 0.00 36.82 35.72 1dma h ILE 531 CO 0.09 0.12 -0.44 0.61 -0.68 0.00 0.00 178.15 177.85 1dma n GLY 532 N -0.81 -0.01 0.00 5.37 0.00 0.36 -5.01 105.19 105.09 1dma n GLY 532 Ca -0.02 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1dma n GLY 532 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1dma n HIS 533 N -4.05 0.00 -2.10 1.61 1.44 -1.14 -5.06 115.22 105.91 1dma n HIS 533 Ca -0.00 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.32 1dma n HIS 533 Cb 0.54 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.65 1dma n HIS 533 CO 0.00 0.00 0.00 -2.14 -2.81 0.00 0.00 176.34 171.39 1dma s PRO 534 N -2.00 3.83 1.12 -1.40 0.02 -1.26 -4.61 135.00 130.69 1dma s PRO 534 Ca 0.00 2.03 -0.13 0.00 0.02 0.00 0.00 61.00 62.93 1dma s PRO 534 Cb 0.00 -2.60 0.25 0.00 0.02 0.00 0.00 34.50 32.16 1dma s PRO 534 CO 0.00 -0.57 0.97 1.28 -0.33 0.00 0.00 177.00 178.35 1dma n LEU 535 N -0.17 -0.48 -4.84 -5.54 4.77 -1.26 -4.78 117.00 104.71 1dma n LEU 535 Ca 0.05 -0.03 -0.30 0.00 -0.03 0.00 0.00 56.01 55.71 1dma n LEU 535 Cb 0.45 -1.29 0.08 0.00 -2.33 0.00 0.00 43.42 40.34 1dma n LEU 535 CO 0.53 -3.06 0.73 -2.16 -1.33 0.00 0.00 177.39 172.10 1dma s PRO 536 N -4.37 2.15 0.36 3.23 0.04 -1.25 -4.94 135.00 130.22 1dma s PRO 536 Ca 0.67 0.48 -0.27 0.00 0.04 0.00 0.00 61.00 61.91 1dma s PRO 536 Cb -0.24 -1.94 -0.12 0.00 0.04 0.00 0.00 34.50 32.24 1dma s PRO 536 CO 0.64 -1.54 1.28 1.28 0.04 0.00 0.00 177.00 178.70 1dma n LEU 537 N -3.35 3.65 0.00 -3.56 7.99 -1.26 -4.99 117.00 115.49 1dma n LEU 537 Ca 0.07 1.18 0.00 0.00 -0.01 0.00 0.00 56.01 57.25 1dma n LEU 537 Cb 0.57 -1.49 0.00 0.00 -0.11 0.00 0.00 43.42 42.40 1dma n LEU 537 CO 0.57 -0.53 0.00 0.54 -1.51 0.00 0.00 177.39 176.46 1dma n ARG 538 N 0.43 0.00 -0.94 3.23 1.74 -1.26 -4.28 116.66 115.57 1dma n ARG 538 Ca 0.05 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.99 1dma n ARG 538 Cb 0.37 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.79 1dma n ARG 538 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1dma n LEU 539 N 0.00 6.02 -4.80 0.55 4.77 -1.26 -4.05 117.00 118.23 1dma n LEU 539 Ca 0.00 -3.24 -0.30 0.00 -0.03 0.00 0.00 56.01 52.44 1dma n LEU 539 Cb 0.00 -1.17 -0.05 0.00 -2.33 0.00 0.00 43.42 39.87 1dma n LEU 539 CO 0.00 1.36 -0.15 -1.81 -1.33 0.00 0.00 177.39 175.46 1dma s ASP 540 N 0.92 4.30 -0.04 -1.43 1.11 -1.26 -4.81 116.67 115.47 1dma s ASP 540 Ca 0.35 -1.48 -0.14 0.00 0.18 0.00 0.00 52.55 51.46 1dma s ASP 540 Cb 0.23 0.40 0.02 0.00 1.07 0.00 0.00 42.92 44.65 1dma s ASP 540 CO -0.05 -0.90 0.31 0.00 1.18 0.00 0.00 175.17 175.71 1dma s ALA 541 N -2.82 -0.79 -0.02 5.23 0.00 -0.66 -1.54 121.76 121.15 1dma s ALA 541 Ca 0.18 0.45 0.01 0.00 0.00 0.00 0.00 51.96 52.59 1dma s ALA 541 Cb 0.01 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.09 1dma s ALA 541 CO 0.10 -0.24 -0.01 -1.50 0.00 0.00 0.00 175.76 174.11 1dma s ILE 542 N -1.02 0.20 -0.05 0.00 1.10 -0.60 -1.61 121.20 119.22 1dma s ILE 542 Ca -0.11 0.01 0.06 0.00 -0.51 0.00 0.00 60.65 60.11 1dma s ILE 542 Cb -0.05 -0.25 -0.01 0.00 0.15 0.00 0.00 42.46 42.30 1dma s ILE 542 CO 0.03 0.12 -0.25 0.28 -2.11 0.00 0.00 174.94 173.01 1dma s THR 543 N 0.64 2.03 0.19 4.00 -1.32 -0.25 -0.68 115.64 120.25 1dma s THR 543 Ca -0.06 -1.06 -0.15 0.00 -1.21 0.00 0.00 61.69 59.20 1dma s THR 543 Cb -0.09 -1.71 0.02 0.00 -1.51 0.00 0.00 72.50 69.20 1dma s THR 543 CO -0.01 0.57 0.47 -0.83 -2.21 0.00 0.00 174.62 172.61 1dma s GLY 544 N -0.25 0.05 0.61 6.08 0.00 -1.12 -0.50 107.32 112.19 1dma s GLY 544 Ca -0.01 -0.39 -0.10 0.00 0.00 0.00 0.00 44.72 44.22 1dma s GLY 544 CO 0.03 -0.40 1.00 2.56 0.00 0.00 0.00 173.10 176.29 1dma s PRO 545 N -3.90 3.46 0.00 2.90 0.04 -1.24 -1.62 135.00 134.64 1dma s PRO 545 Ca 0.11 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.76 1dma s PRO 545 Cb -0.00 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.42 1dma s PRO 545 CO -0.02 -0.59 0.00 -1.91 0.04 0.00 0.00 177.00 174.52 1dma n GLU 546 N -2.72 0.00 -0.07 4.56 0.00 -1.26 -4.17 120.64 116.98 1dma n GLU 546 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.16 1dma n GLU 546 Cb 0.55 0.00 -0.02 0.00 0.00 0.00 0.00 31.44 31.97 1dma n GLU 546 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 1dma n GLU 547 N 0.00 0.46 0.00 5.31 -0.58 -1.09 -4.83 120.64 119.91 1dma n GLU 547 Ca 0.00 0.52 0.00 0.00 -0.42 0.00 0.00 57.16 57.26 1dma n GLU 547 Cb 0.00 -1.68 0.00 0.00 -0.57 0.00 0.00 31.44 29.19 1dma n GLU 547 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1dma n GLU 548 N -4.61 0.00 0.00 3.49 0.28 -1.26 -4.63 120.64 113.91 1dma n GLU 548 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.92 1dma n GLU 548 Cb 0.29 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.16 1dma n GLU 548 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1dma n GLY 549 N 0.00 -0.30 0.00 -1.84 0.00 -1.26 -4.62 105.19 97.17 1dma n GLY 549 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1dma n GLY 549 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1dma n GLY 550 N -1.30 2.46 3.74 -0.02 0.00 -1.26 -4.51 105.19 104.30 1dma n GLY 550 Ca 0.00 -0.84 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 1dma n GLY 550 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1dma n ARG 551 N -0.75 -1.56 -1.62 1.61 0.00 -1.26 -2.68 116.66 110.41 1dma n ARG 551 Ca 0.00 -1.98 -0.01 0.00 -0.00 0.00 0.00 57.85 55.87 1dma n ARG 551 Cb 0.00 -1.39 -0.01 0.00 0.00 0.00 0.00 32.46 31.07 1dma n ARG 551 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1dma n LEU 552 N 0.00 -3.71 -4.00 6.15 4.77 -1.25 -4.51 117.00 114.45 1dma n LEU 552 Ca 0.16 1.03 -0.13 0.00 -0.03 0.00 0.00 56.01 57.04 1dma n LEU 552 Cb 0.57 -1.86 -0.12 0.00 -2.33 0.00 0.00 43.42 39.68 1dma n LEU 552 CO 0.41 -1.23 -0.39 -1.83 -1.33 0.00 0.00 177.39 173.02 1dma s GLU 553 N -1.31 0.40 -0.07 3.23 -1.05 -0.64 -4.45 118.70 114.81 1dma s GLU 553 Ca -0.03 -0.51 0.04 0.00 -0.15 0.00 0.00 54.97 54.32 1dma s GLU 553 Cb 0.00 -0.21 -0.02 0.00 -0.44 0.00 0.00 34.13 33.46 1dma s GLU 553 CO 0.08 0.04 -0.20 0.99 0.95 0.00 0.00 175.26 177.12 1dma s THR 554 N -0.94 2.50 -0.14 1.83 2.01 -0.03 -2.81 115.64 118.07 1dma s THR 554 Ca -0.07 -0.90 -0.04 0.00 0.31 0.00 0.00 61.69 60.98 1dma s THR 554 Cb -0.07 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 1dma s THR 554 CO -0.00 0.57 0.02 -0.63 -0.69 0.00 0.00 174.62 173.88 1dma s ILE 555 N -0.21 4.39 -0.21 1.82 1.01 0.14 -0.86 121.20 127.29 1dma s ILE 555 Ca -0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.39 1dma s ILE 555 Cb -0.13 -2.92 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 1dma s ILE 555 CO 0.03 0.52 0.01 -0.76 0.00 0.00 0.00 174.94 174.75 1dma s LEU 556 N -0.09 3.29 0.44 2.97 1.43 0.26 -1.56 118.68 125.42 1dma s LEU 556 Ca 0.05 -0.20 -0.24 0.00 -1.03 0.00 0.00 54.13 52.70 1dma s LEU 556 Cb -0.13 -1.84 -0.09 0.00 0.03 0.00 0.00 46.19 44.16 1dma s LEU 556 CO 0.02 0.05 1.21 0.61 0.23 0.00 0.00 176.35 178.47 1dma n GLY 557 N 4.31 0.36 0.36 -3.19 0.00 -0.59 -0.71 105.19 105.72 1dma n GLY 557 Ca -0.17 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.12 1dma n GLY 557 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1dma h TRP 558 N 1.82 0.42 -0.47 1.61 4.06 -1.78 0.55 115.95 122.16 1dma h TRP 558 Ca -0.47 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.47 1dma h TRP 558 Cb 1.31 -0.14 -0.02 0.00 -1.00 0.00 0.00 29.16 29.31 1dma h TRP 558 CO 0.46 0.20 0.20 -1.35 -3.56 0.00 0.00 178.44 174.39 1dma h PRO 559 N 0.39 0.66 0.01 0.49 0.11 -1.85 -1.06 132.00 130.74 1dma h PRO 559 Ca 0.28 -0.08 -0.09 0.00 0.11 0.00 0.00 66.00 66.22 1dma h PRO 559 Cb 0.58 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.57 1dma h PRO 559 CO -0.08 0.53 -0.35 1.25 -0.21 0.00 0.00 178.00 179.14 1dma h LEU 560 N 0.66 0.29 -0.59 2.35 6.46 -1.51 -3.31 115.31 119.65 1dma h LEU 560 Ca 0.16 -0.79 0.11 0.00 -0.12 0.00 0.00 57.88 57.24 1dma h LEU 560 Cb 0.10 -0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 39.86 1dma h LEU 560 CO -0.02 1.05 0.14 0.00 -0.62 0.00 0.00 178.44 178.99 1dma h ALA 561 N 0.25 0.71 0.00 1.25 0.00 -0.68 -1.18 119.26 119.60 1dma h ALA 561 Ca -0.05 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1dma h ALA 561 Cb 1.11 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1dma h ALA 561 CO 0.07 -0.29 0.00 0.39 0.00 0.00 0.00 179.25 179.42 1dma n GLU 562 N -5.10 0.46 -1.03 0.00 1.02 -0.42 -2.79 120.64 112.77 1dma n GLU 562 Ca 0.09 0.05 -0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1dma n GLU 562 Cb 0.31 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.38 1dma n GLU 562 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1dma n ARG 563 N -1.13 1.84 -4.17 3.49 1.74 -0.45 -4.73 116.66 113.24 1dma n ARG 563 Ca 0.12 -3.36 -0.25 0.00 -0.77 0.00 0.00 57.85 53.60 1dma n ARG 563 Cb 0.11 -1.59 -0.06 0.00 -1.02 0.00 0.00 32.46 29.90 1dma n ARG 563 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1dma s THR 564 N -3.21 4.05 -0.18 0.55 -4.23 -1.12 -4.70 115.64 106.79 1dma s THR 564 Ca 0.40 -1.42 -0.07 0.00 -1.18 0.00 0.00 61.69 59.42 1dma s THR 564 Cb 0.38 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 71.08 1dma s THR 564 CO -0.06 -0.22 0.05 -0.69 -0.54 0.00 0.00 174.62 173.16 1dma s VAL 565 N -1.94 4.60 -0.09 2.29 1.01 -0.67 -4.85 120.40 120.75 1dma s VAL 565 Ca 0.30 -0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.21 1dma s VAL 565 Cb -0.09 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.20 1dma s VAL 565 CO 0.22 0.45 -0.15 -0.69 0.00 0.00 0.00 175.10 174.93 1dma s VAL 566 N 0.50 2.97 0.06 2.92 1.01 -1.26 -1.90 120.40 124.69 1dma s VAL 566 Ca 0.02 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1dma s VAL 566 Cb -0.13 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 1dma s VAL 566 CO 0.01 0.56 -0.06 0.27 0.00 0.00 0.00 175.10 175.88 1dma s ILE 567 N -0.19 0.45 0.77 2.22 -4.36 -0.91 -4.75 121.20 114.44 1dma s ILE 567 Ca -0.00 -1.45 -0.15 0.00 -0.26 0.00 0.00 60.65 58.79 1dma s ILE 567 Cb -0.13 -1.05 0.03 0.00 1.25 0.00 0.00 42.46 42.55 1dma s ILE 567 CO 0.03 -0.67 0.93 -2.65 0.24 0.00 0.00 174.94 172.81 1dma n PRO 568 N 0.76 0.28 -4.00 0.37 -0.02 -1.26 -0.15 135.00 130.98 1dma n PRO 568 Ca -0.18 0.16 -0.21 0.00 -2.02 0.00 0.00 63.50 61.24 1dma n PRO 568 Cb 0.58 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 1dma n PRO 568 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1dma s SER 569 N -1.82 5.99 0.04 2.55 0.15 -0.85 -4.44 113.70 115.32 1dma s SER 569 Ca 0.70 -0.07 0.24 0.00 0.70 0.00 0.00 55.95 57.53 1dma s SER 569 Cb -0.31 -1.65 0.35 0.00 -1.71 0.00 0.00 66.02 62.70 1dma s SER 569 CO 0.53 -0.08 1.30 0.00 1.20 0.00 0.00 173.24 176.19 1dma n ALA 570 N -1.33 3.44 -2.10 5.45 0.00 -1.26 -4.82 120.51 119.88 1dma n ALA 570 Ca -0.08 -0.35 -0.42 0.00 0.00 0.00 0.00 53.44 52.59 1dma n ALA 570 Cb 0.57 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 1dma n ALA 570 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1dma s ILE 571 N -3.07 3.49 0.43 0.00 1.01 -1.26 -4.80 121.20 116.99 1dma s ILE 571 Ca 0.08 0.85 0.06 0.00 0.00 0.00 0.00 60.65 61.65 1dma s ILE 571 Cb 0.16 -3.55 0.01 0.00 0.01 0.00 0.00 42.46 39.09 1dma s ILE 571 CO 0.73 -0.02 0.60 -2.16 0.00 0.00 0.00 174.94 174.09 1dma s PRO 572 N 2.75 2.84 0.20 2.79 0.04 -1.26 -4.67 135.00 137.68 1dma s PRO 572 Ca 0.68 -1.05 0.07 0.00 0.04 0.00 0.00 61.00 60.74 1dma s PRO 572 Cb -0.34 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.46 1dma s PRO 572 CO 0.28 -0.30 0.04 0.95 0.04 0.00 0.00 177.00 178.01 1dma s THR 573 N -2.41 3.83 -0.14 1.26 -4.23 -1.26 -5.01 115.64 107.67 1dma s THR 573 Ca 0.53 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.56 1dma s THR 573 Cb -0.10 -2.97 -0.01 0.00 1.34 0.00 0.00 72.50 70.76 1dma s THR 573 CO 0.34 -0.19 -0.14 -0.62 -0.54 0.00 0.00 174.62 173.47 1dma s ASP 574 N -3.20 3.86 0.00 3.99 -1.08 -1.26 -4.95 116.67 114.02 1dma s ASP 574 Ca 0.29 -0.39 0.03 0.00 -0.52 0.00 0.00 52.55 51.96 1dma s ASP 574 Cb -0.09 -1.59 0.13 0.00 -1.46 0.00 0.00 42.92 39.92 1dma s ASP 574 CO 0.20 0.13 0.85 -0.81 0.52 0.00 0.00 175.17 176.06 1dma n PRO 575 N 3.75 0.04 -0.04 4.34 -0.05 -1.26 -2.77 135.00 139.01 1dma n PRO 575 Ca -0.18 0.22 -0.12 0.00 -0.05 0.00 0.00 63.50 63.37 1dma n PRO 575 Cb 0.52 -1.50 -0.14 0.00 -0.05 0.00 0.00 33.50 32.33 1dma n PRO 575 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 175.50 175.99 1dma n ARG 576 N -1.24 0.67 -3.66 0.54 1.74 -1.26 -4.65 116.66 108.80 1dma n ARG 576 Ca 0.01 0.23 -0.38 0.00 -0.77 0.00 0.00 57.85 56.95 1dma n ARG 576 Cb 0.02 -1.72 -0.08 0.00 -1.02 0.00 0.00 32.46 29.66 1dma n ARG 576 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1dma s ASN 577 N -6.21 5.46 -0.49 0.55 3.04 -1.11 -5.24 114.94 110.94 1dma s ASN 577 Ca -0.11 -2.90 0.05 0.00 0.04 0.00 0.00 52.86 49.93 1dma s ASN 577 Cb 0.07 -1.90 0.40 0.00 -1.54 0.00 0.00 41.25 38.28 1dma s ASN 577 CO 0.80 -0.38 1.14 0.52 -3.04 0.00 0.00 177.10 176.14 1dma n VAL 578 N 3.45 2.58 0.00 -5.21 0.31 -1.26 -4.28 118.33 113.92 1dma n VAL 578 Ca 0.10 -5.02 0.00 0.00 -0.01 0.00 0.00 64.34 59.40 1dma n VAL 578 Cb 0.39 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 1dma n VAL 578 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1dma n ASP 581 N -0.44 0.00 -4.61 4.52 -0.08 -1.26 -4.76 116.55 109.92 1dma n ASP 581 Ca 0.39 0.00 -0.55 0.00 -1.51 0.00 0.00 54.79 53.12 1dma n ASP 581 Cb 0.59 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.99 1dma n ASP 581 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 1dma n LEU 582 N 0.00 1.55 -4.64 -2.67 0.00 -1.26 -4.93 117.00 105.04 1dma n LEU 582 Ca 0.00 1.12 -0.43 0.00 0.00 0.00 0.00 56.01 56.70 1dma n LEU 582 Cb 0.00 -1.13 -0.03 0.00 0.00 0.00 0.00 43.42 42.26 1dma n LEU 582 CO 0.00 -1.03 0.83 -0.62 0.00 0.00 0.00 177.39 176.57 1dma s ASP 583 N 1.19 6.93 0.26 1.96 2.15 -1.26 -4.94 116.67 122.96 1dma s ASP 583 Ca 0.89 1.11 -0.05 0.00 0.43 0.00 0.00 52.55 54.93 1dma s ASP 583 Cb -1.05 -2.50 0.51 0.00 -0.30 0.00 0.00 42.92 39.58 1dma s ASP 583 CO 0.54 -0.69 1.64 -0.65 -0.17 0.00 0.00 175.17 175.83 1dma h PRO 584 N 7.78 0.12 -0.12 4.34 0.11 -1.98 0.14 132.00 142.40 1dma h PRO 584 Ca -0.21 -0.01 0.03 0.00 0.11 0.00 0.00 66.00 65.93 1dma h PRO 584 Cb 1.07 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1dma h PRO 584 CO 0.96 0.08 0.16 0.77 -0.21 0.00 0.00 178.00 179.77 1dma h SER 585 N 0.13 0.00 1.92 -2.05 0.02 -2.03 -2.76 113.55 108.77 1dma h SER 585 Ca 0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 1dma h SER 585 Cb 0.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.37 1dma h SER 585 CO -0.67 0.00 0.00 0.77 -1.14 0.00 0.00 176.83 175.79 1dma h SER 586 N 0.00 0.00 -3.07 3.07 4.64 -1.12 -3.44 113.55 113.63 1dma h SER 586 Ca 0.06 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.82 1dma h SER 586 Cb 0.38 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.41 1dma h SER 586 CO -0.00 0.00 1.04 -0.63 -0.87 0.00 0.00 176.83 176.37 1dma s ILE 587 N -3.21 3.92 0.15 0.95 1.01 -1.04 -4.48 121.20 118.50 1dma s ILE 587 Ca 0.07 0.82 -0.34 0.00 0.00 0.00 0.00 60.65 61.21 1dma s ILE 587 Cb 0.06 -4.54 -0.16 0.00 0.01 0.00 0.00 42.46 37.83 1dma s ILE 587 CO 0.66 -1.19 1.26 -2.65 0.00 0.00 0.00 174.94 173.02 1dma n PRO 588 N 8.47 1.30 0.28 2.79 -0.02 -1.26 -4.76 135.00 141.80 1dma n PRO 588 Ca 0.11 0.47 0.17 0.00 -2.02 0.00 0.00 63.50 62.23 1dma n PRO 588 Cb 0.49 -2.04 0.78 0.00 -0.02 0.00 0.00 33.50 32.71 1dma n PRO 588 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1dma h ASP 589 N 3.95 0.00 -0.15 2.55 3.58 -1.95 0.52 116.42 124.93 1dma h ASP 589 Ca -0.45 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 56.97 1dma h ASP 589 Cb 1.33 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.37 1dma h ASP 589 CO 0.74 0.05 -0.04 0.11 -2.88 0.00 0.00 179.24 177.22 1dma h LYS 590 N 0.00 0.29 0.00 0.28 1.57 -2.00 -2.63 116.57 114.08 1dma h LYS 590 Ca -0.00 -0.11 -0.10 0.00 -1.87 0.00 0.00 60.65 58.57 1dma h LYS 590 Cb 0.40 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1dma h LYS 590 CO 0.01 0.57 -0.46 1.49 -0.57 0.00 0.00 179.45 180.49 1dma h GLU 591 N -0.02 0.00 -0.47 3.15 4.81 -1.73 -1.59 114.58 118.74 1dma h GLU 591 Ca 0.04 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.33 1dma h GLU 591 Cb 0.47 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 1dma h GLU 591 CO 0.02 0.46 0.32 0.37 -0.73 0.00 0.00 179.01 179.44 1dma h GLN 592 N 0.00 0.37 -0.01 1.92 5.75 -0.72 -2.29 115.11 120.14 1dma h GLN 592 Ca -0.00 -0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.41 1dma h GLN 592 Cb 0.86 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.33 1dma h GLN 592 CO 0.06 0.24 -0.25 0.00 -2.65 0.00 0.00 178.83 176.24 1dma h ALA 593 N 1.75 0.04 -0.60 3.38 0.00 -0.93 -3.33 119.26 119.56 1dma h ALA 593 Ca 0.21 -0.46 0.07 0.00 0.00 0.00 0.00 54.91 54.72 1dma h ALA 593 Cb 0.33 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1dma h ALA 593 CO -0.05 0.08 0.40 0.82 0.00 0.00 0.00 179.25 180.50 1dma h ILE 594 N -0.48 0.98 -0.03 0.00 2.04 -1.25 -3.31 117.51 115.46 1dma h ILE 594 Ca -0.03 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1dma h ILE 594 Cb 0.99 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1dma h ILE 594 CO 0.05 0.10 0.01 -1.20 0.00 0.00 0.00 178.15 177.11 1dma n SER 595 N -4.48 2.32 -4.64 1.72 7.64 -0.88 -4.94 113.62 110.37 1dma n SER 595 Ca 0.09 -2.04 -0.29 0.00 1.01 0.00 0.00 58.87 57.63 1dma n SER 595 Cb 0.26 -0.51 0.19 0.00 -1.01 0.00 0.00 64.21 63.13 1dma n SER 595 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1dma s ALA 596 N -0.47 0.75 0.03 -0.43 0.00 -1.25 -5.02 121.76 115.37 1dma s ALA 596 Ca 0.02 -0.16 0.07 0.00 0.00 0.00 0.00 51.96 51.89 1dma s ALA 596 Cb 0.02 -3.19 -0.02 0.00 0.00 0.00 0.00 23.12 19.92 1dma s ALA 596 CO 0.00 -2.99 -0.21 -0.51 0.00 0.00 0.00 175.76 172.06 1dma s LEU 597 N -6.61 2.14 0.00 0.00 1.43 -1.26 -4.90 118.68 109.47 1dma s LEU 597 Ca 0.66 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 53.27 1dma s LEU 597 Cb -0.20 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.01 1dma s LEU 597 CO 0.59 0.19 0.00 -0.81 0.23 0.00 0.00 176.35 176.55 1dma n PRO 598 N 2.01 0.00 0.00 1.29 -0.04 -1.26 -5.17 135.00 131.82 1dma n PRO 598 Ca -0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.29 1dma n PRO 598 Cb 0.53 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.88 1dma n PRO 598 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99