#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1md7 n GLY 360 N 3.72 5.06 3.64 0.00 0.00 -1.26 -4.94 105.19 111.40 1md7 n GLY 360 Ca 0.00 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.47 1md7 n GLY 360 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1md7 s GLN 361 N 1.72 4.09 0.36 1.61 2.00 -1.26 -4.75 119.66 123.43 1md7 s GLN 361 Ca 0.00 1.05 -0.23 0.00 -2.00 0.00 0.00 55.36 54.18 1md7 s GLN 361 Cb 0.00 -3.72 -0.15 0.00 0.80 0.00 0.00 33.01 29.94 1md7 s GLN 361 CO 0.00 -0.82 0.39 -2.30 -0.50 0.00 0.00 175.29 172.05 1md7 n PRO 362 N 6.68 0.27 -1.78 1.67 -0.02 -1.26 -4.87 135.00 135.69 1md7 n PRO 362 Ca 0.11 0.10 -0.34 0.00 -2.02 0.00 0.00 63.50 61.34 1md7 n PRO 362 Cb 0.47 -1.22 0.05 0.00 -0.02 0.00 0.00 33.50 32.78 1md7 n PRO 362 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1md7 s ARG 363 N -1.23 2.74 0.56 -0.52 3.52 -1.26 -4.99 118.95 117.78 1md7 s ARG 363 Ca 0.62 1.57 -0.17 0.00 -0.13 0.00 0.00 55.73 57.62 1md7 s ARG 363 Cb -0.69 -1.93 -0.05 0.00 -1.56 0.00 0.00 34.95 30.72 1md7 s ARG 363 CO 0.60 -1.33 1.05 1.21 -0.81 0.00 0.00 175.30 176.01 1md7 s ASN 364 N -2.20 5.98 -0.41 -2.12 2.47 -1.26 -5.03 114.94 112.37 1md7 s ASN 364 Ca 0.71 1.82 0.01 0.00 0.42 0.00 0.00 52.86 55.82 1md7 s ASN 364 Cb -0.24 -2.54 0.13 0.00 -1.45 0.00 0.00 41.25 37.15 1md7 s ASN 364 CO 0.39 -1.03 0.21 -0.22 -3.72 0.00 0.00 177.10 172.73 1md7 s LEU 365 N -4.25 2.48 0.40 3.21 2.96 -1.26 -5.04 118.68 117.19 1md7 s LEU 365 Ca 0.64 -2.41 -0.24 0.00 -0.22 0.00 0.00 54.13 51.90 1md7 s LEU 365 Cb -0.16 -0.95 -0.12 0.00 0.50 0.00 0.00 46.19 45.46 1md7 s LEU 365 CO 0.33 -0.30 0.85 -0.81 -1.32 0.00 0.00 176.35 175.10 1md7 n PRO 366 N 3.82 1.05 -1.18 0.98 -0.04 -1.26 -1.07 135.00 137.30 1md7 n PRO 366 Ca 0.07 0.38 -0.06 0.00 -0.04 0.00 0.00 63.50 63.85 1md7 n PRO 366 Cb 0.36 -1.82 -0.03 0.00 -0.04 0.00 0.00 33.50 31.97 1md7 n PRO 366 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1md7 n ASN 367 N 0.83 -5.16 -2.93 3.54 5.03 -1.26 -4.57 115.26 110.75 1md7 n ASN 367 Ca 0.10 0.15 -0.09 0.00 0.87 0.00 0.00 54.58 55.62 1md7 n ASN 367 Cb 0.38 -3.21 0.02 0.00 -1.02 0.00 0.00 39.78 35.96 1md7 n ASN 367 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1md7 s GLY 368 N -2.32 0.45 0.00 7.41 0.00 -0.23 -2.10 107.32 110.53 1md7 s GLY 368 Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 43.91 1md7 s GLY 368 CO 0.00 -0.36 0.00 1.34 0.00 0.00 0.00 173.10 174.08 1md7 n ASP 369 N -1.43 0.00 -3.48 1.64 4.64 -0.67 -4.50 116.55 112.75 1md7 n ASP 369 Ca -0.08 0.00 -0.15 0.00 -1.38 0.00 0.00 54.79 53.18 1md7 n ASP 369 Cb 0.60 0.00 -0.04 0.00 -1.04 0.00 0.00 41.12 40.64 1md7 n ASP 369 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 1md7 s PHE 370 N -1.47 -0.60 0.20 -0.67 -0.12 -1.26 -1.57 117.98 112.48 1md7 s PHE 370 Ca 0.00 0.79 0.09 0.00 -0.05 0.00 0.00 56.93 57.76 1md7 s PHE 370 Cb 0.00 0.47 -0.05 0.00 -0.63 0.00 0.00 43.02 42.82 1md7 s PHE 370 CO 0.00 -0.69 -0.17 -0.98 -0.05 0.00 0.00 175.22 173.33 1md7 s ARG 371 N -2.20 1.37 -0.07 1.99 1.70 -0.67 -4.95 118.95 116.12 1md7 s ARG 371 Ca -0.06 -1.55 -0.12 0.00 -0.47 0.00 0.00 55.73 53.53 1md7 s ARG 371 Cb -0.00 -1.31 -0.05 0.00 -0.57 0.00 0.00 34.95 33.02 1md7 s ARG 371 CO 0.01 0.24 0.31 0.71 -1.08 0.00 0.00 175.30 175.49 1md7 s TYR 372 N -2.55 3.63 -1.11 5.89 1.51 -1.26 -0.93 117.35 122.53 1md7 s TYR 372 Ca 0.21 0.77 0.16 0.00 -1.01 0.00 0.00 57.07 57.20 1md7 s TYR 372 Cb -0.03 -2.21 0.52 0.00 -0.11 0.00 0.00 41.96 40.13 1md7 s TYR 372 CO 0.08 0.57 1.44 0.25 -1.11 0.00 0.00 175.55 176.78 1md7 n THR 373 N 2.31 1.39 -4.27 -0.71 -2.24 -0.03 -4.91 114.28 105.82 1md7 n THR 373 Ca -0.15 -1.17 -0.14 0.00 -2.27 0.00 0.00 64.05 60.32 1md7 n THR 373 Cb 0.53 0.30 -0.10 0.00 -2.10 0.00 0.00 70.33 68.96 1md7 n THR 373 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1md7 s THR 374 N -1.46 0.73 -0.17 4.28 2.01 -1.23 -4.92 115.64 114.87 1md7 s THR 374 Ca 0.39 -1.99 -0.35 0.00 0.31 0.00 0.00 61.69 60.05 1md7 s THR 374 Cb 0.23 -2.22 -0.16 0.00 0.01 0.00 0.00 72.50 70.36 1md7 s THR 374 CO 0.21 -0.39 1.05 0.41 -0.69 0.00 0.00 174.62 175.21 1md7 n THR 375 N -0.30 0.00 -2.74 -0.82 -1.04 -1.26 -4.72 114.28 103.40 1md7 n THR 375 Ca -0.05 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.54 1md7 n THR 375 Cb 0.64 -0.17 -0.03 0.00 -1.82 0.00 0.00 70.33 68.94 1md7 n THR 375 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1md7 s MET 376 N 1.03 4.51 0.00 -2.82 0.00 -1.26 -3.52 119.30 117.25 1md7 s MET 376 Ca 0.78 1.35 0.00 0.00 0.00 0.00 0.00 55.69 57.83 1md7 s MET 376 Cb -1.11 -3.48 0.00 0.00 0.00 0.00 0.00 34.83 30.25 1md7 s MET 376 CO 0.55 -0.10 0.00 0.41 0.00 0.00 0.00 175.02 175.88 1md7 n GLY 377 N 2.97 1.04 2.92 3.16 0.00 -1.26 -5.05 105.19 108.97 1md7 n GLY 377 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.78 1md7 n GLY 377 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1md7 s VAL 378 N -2.00 2.25 -0.16 1.61 1.01 -1.23 -4.96 120.40 116.92 1md7 s VAL 378 Ca 0.00 -2.88 0.00 0.00 0.00 0.00 0.00 61.98 59.10 1md7 s VAL 378 Cb 0.00 -2.59 0.17 0.00 0.00 0.00 0.00 36.38 33.95 1md7 s VAL 378 CO 0.00 -0.76 1.61 0.59 0.00 0.00 0.00 175.10 176.54 1md7 n ASN 379 N 3.53 4.52 -4.92 3.32 3.02 -1.26 -4.71 115.26 118.76 1md7 n ASN 379 Ca 0.05 -2.63 -0.26 0.00 -0.03 0.00 0.00 54.58 51.71 1md7 n ASN 379 Cb 0.35 -0.82 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 1md7 n ASN 379 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1md7 s THR 380 N -1.16 4.76 0.18 3.41 -1.32 -1.26 -1.07 115.64 119.17 1md7 s THR 380 Ca 0.18 -0.01 -0.13 0.00 -1.21 0.00 0.00 61.69 60.52 1md7 s THR 380 Cb 0.14 -3.79 -0.09 0.00 -1.51 0.00 0.00 72.50 67.25 1md7 s THR 380 CO 0.02 -0.71 0.12 0.00 -2.21 0.00 0.00 174.62 171.84 1md7 n TYR 381 N -2.18 -0.86 -0.37 9.09 9.36 -1.26 -1.46 117.16 129.48 1md7 n TYR 381 Ca -0.00 0.40 0.00 0.00 3.32 0.00 0.00 57.90 61.62 1md7 n TYR 381 Cb 0.56 -1.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.27 1md7 n TYR 381 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 1md7 n LYS 382 N 0.67 0.00 -0.71 2.98 5.02 -0.36 -4.99 118.16 120.78 1md7 n LYS 382 Ca 0.07 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.06 1md7 n LYS 382 Cb 0.19 -2.73 0.19 0.00 -0.02 0.00 0.00 35.03 32.66 1md7 n LYS 382 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1md7 s ALA 383 N -2.60 0.78 -0.17 7.82 0.00 -0.54 -4.75 121.76 122.31 1md7 s ALA 383 Ca 0.00 0.25 -0.07 0.00 0.00 0.00 0.00 51.96 52.14 1md7 s ALA 383 Cb 0.00 -3.35 0.07 0.00 0.00 0.00 0.00 23.12 19.85 1md7 s ALA 383 CO 0.00 -3.09 0.37 0.50 0.00 0.00 0.00 175.76 173.54 1md7 s ARG 384 N -4.62 0.30 0.36 0.00 3.52 -1.26 -1.70 118.95 115.55 1md7 s ARG 384 Ca 0.67 0.87 0.08 0.00 -0.13 0.00 0.00 55.73 57.22 1md7 s ARG 384 Cb -0.23 0.13 -0.07 0.00 -1.56 0.00 0.00 34.95 33.22 1md7 s ARG 384 CO 0.60 -0.23 -0.06 0.96 -0.81 0.00 0.00 175.30 175.77 1md7 s ILE 385 N 2.13 2.09 -0.07 4.11 -4.36 0.30 -0.85 121.20 124.55 1md7 s ILE 385 Ca -0.04 -2.13 -0.01 0.00 -0.26 0.00 0.00 60.65 58.21 1md7 s ILE 385 Cb -0.11 -2.74 0.03 0.00 1.25 0.00 0.00 42.46 40.88 1md7 s ILE 385 CO -0.12 -0.14 -0.00 -1.58 0.24 0.00 0.00 174.94 173.34 1md7 s GLN 386 N -3.66 0.68 0.53 0.37 0.74 -0.11 -1.65 119.66 116.56 1md7 s GLN 386 Ca 0.33 0.08 -0.14 0.00 0.05 0.00 0.00 55.36 55.68 1md7 s GLN 386 Cb 0.05 -1.01 -0.07 0.00 1.10 0.00 0.00 33.01 33.08 1md7 s GLN 386 CO 0.17 -0.30 0.97 0.71 -0.55 0.00 0.00 175.29 176.29 1md7 s TYR 387 N 1.94 3.50 -0.29 1.67 1.51 0.23 -1.67 117.35 124.25 1md7 s TYR 387 Ca 0.05 1.36 -0.12 0.00 -1.01 0.00 0.00 57.07 57.35 1md7 s TYR 387 Cb -0.12 -2.73 0.11 0.00 -0.11 0.00 0.00 41.96 39.11 1md7 s TYR 387 CO -0.05 -0.42 0.65 1.52 -1.11 0.00 0.00 175.55 176.13 1md7 s TYR 388 N -2.74 -1.22 0.59 2.71 -0.85 -0.61 -4.80 117.35 110.42 1md7 s TYR 388 Ca 0.57 2.22 -0.16 0.00 -0.52 0.00 0.00 57.07 59.18 1md7 s TYR 388 Cb -0.10 0.72 -0.04 0.00 0.38 0.00 0.00 41.96 42.92 1md7 s TYR 388 CO 0.37 -0.61 1.05 0.00 -1.52 0.00 0.00 175.55 174.85 1md7 s HIS 390 N -2.48 2.86 0.19 0.00 0.09 -0.89 -4.91 115.29 110.16 1md7 s HIS 390 Ca 0.63 0.79 -0.03 0.00 -0.00 0.00 0.00 55.06 56.45 1md7 s HIS 390 Cb -0.15 -3.70 -0.05 0.00 -0.00 0.00 0.00 32.58 28.68 1md7 s HIS 390 CO 0.37 -2.58 0.41 -2.00 -0.00 0.00 0.00 174.74 170.93 1md7 s GLU 391 N 2.23 3.58 0.00 1.40 2.56 -1.26 -1.99 118.70 125.21 1md7 s GLU 391 Ca 0.65 -0.19 0.22 0.00 0.00 0.00 0.00 54.97 55.65 1md7 s GLU 391 Cb -0.33 -2.82 -0.11 0.00 2.00 0.00 0.00 34.13 32.87 1md7 s GLU 391 CO 0.28 0.40 0.95 -0.35 -0.56 0.00 0.00 175.26 175.98 1md7 n PRO 392 N -0.39 0.08 0.08 4.30 -0.04 -1.26 -4.88 135.00 132.89 1md7 n PRO 392 Ca -0.03 -0.02 0.11 0.00 -0.04 0.00 0.00 63.50 63.52 1md7 n PRO 392 Cb 0.53 -1.51 0.45 0.00 -0.04 0.00 0.00 33.50 32.93 1md7 n PRO 392 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1md7 n TYR 393 N -1.60 0.55 -4.43 0.54 0.53 -1.25 -4.81 117.16 106.70 1md7 n TYR 393 Ca 0.03 0.20 -0.21 0.00 -1.02 0.00 0.00 57.90 56.90 1md7 n TYR 393 Cb 0.36 -0.82 -0.10 0.00 -1.03 0.00 0.00 39.34 37.75 1md7 n TYR 393 CO 0.00 0.00 0.00 0.71 -1.02 0.00 0.00 176.86 176.55 1md7 s TYR 394 N -3.16 1.99 -0.23 -0.72 1.51 -0.84 -1.39 117.35 114.51 1md7 s TYR 394 Ca 0.07 -0.59 -0.17 0.00 -1.01 0.00 0.00 57.07 55.38 1md7 s TYR 394 Cb 0.11 -1.05 0.06 0.00 -0.11 0.00 0.00 41.96 40.98 1md7 s TYR 394 CO 0.42 0.40 0.58 0.15 -1.11 0.00 0.00 175.55 175.99 1md7 s LYS 395 N -3.66 0.63 0.68 -0.62 1.02 0.21 -4.51 119.74 113.49 1md7 s LYS 395 Ca 0.28 0.94 -0.17 0.00 0.02 0.00 0.00 55.97 57.05 1md7 s LYS 395 Cb 0.01 0.20 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 1md7 s LYS 395 CO 0.12 -0.12 1.15 -0.12 -0.92 0.00 0.00 175.35 175.46 1md7 n MET 396 N 3.57 0.80 -2.48 1.68 0.00 -1.26 -2.26 117.12 117.18 1md7 n MET 396 Ca -0.18 0.33 -0.43 0.00 -0.00 0.00 0.00 57.70 57.42 1md7 n MET 396 Cb 0.57 -2.39 0.00 0.00 0.00 0.00 0.00 33.22 31.40 1md7 n MET 396 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1md7 n GLN 397 N -1.95 3.16 -1.74 2.12 7.27 -1.02 -4.88 117.38 120.34 1md7 n GLN 397 Ca 0.15 -3.22 -0.42 0.00 0.07 0.00 0.00 57.00 53.58 1md7 n GLN 397 Cb 0.49 -3.44 -0.02 0.00 2.41 0.00 0.00 30.24 29.68 1md7 n GLN 397 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 1md7 n THR 398 N 6.07 0.94 -1.58 1.69 -1.04 -1.26 -4.96 114.28 114.14 1md7 n THR 398 Ca 0.49 -0.23 -0.28 0.00 -2.04 0.00 0.00 64.05 61.99 1md7 n THR 398 Cb 0.45 -1.95 0.08 0.00 -1.82 0.00 0.00 70.33 67.08 1md7 n THR 398 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1md7 n GLN 407 N 2.29 2.91 -2.58 -2.82 6.02 -1.26 -5.26 117.38 116.68 1md7 n GLN 407 Ca 0.09 -3.58 -0.08 0.00 -0.01 0.00 0.00 57.00 53.42 1md7 n GLN 407 Cb 0.36 -2.23 0.04 0.00 1.02 0.00 0.00 30.24 29.43 1md7 n GLN 407 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1md7 n GLY 408 N -0.88 -0.03 3.35 1.08 0.00 -1.26 -4.60 105.19 102.84 1md7 n GLY 408 Ca 0.53 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 46.17 1md7 n GLY 408 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1md7 s VAL 409 N -3.19 3.18 0.14 1.61 1.01 -1.26 -0.60 120.40 121.29 1md7 s VAL 409 Ca 0.10 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.57 1md7 s VAL 409 Cb -0.01 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1md7 s VAL 409 CO 0.37 0.49 -0.20 -0.31 0.00 0.00 0.00 175.10 175.45 1md7 s TYR 410 N 0.73 1.89 -0.09 5.22 1.51 -0.66 -4.42 117.35 121.53 1md7 s TYR 410 Ca -0.04 -0.43 -0.04 0.00 -1.01 0.00 0.00 57.07 55.54 1md7 s TYR 410 Cb -0.15 -0.98 0.04 0.00 -0.11 0.00 0.00 41.96 40.77 1md7 s TYR 410 CO 0.02 0.30 0.20 -0.08 -1.11 0.00 0.00 175.55 174.88 1md7 s THR 411 N -1.63 -0.05 -0.77 -0.71 -1.32 -0.51 -0.54 115.64 110.11 1md7 s THR 411 Ca 0.13 0.16 -0.24 0.00 -1.21 0.00 0.00 61.69 60.53 1md7 s THR 411 Cb -0.08 -0.32 -0.17 0.00 -1.51 0.00 0.00 72.50 70.43 1md7 s THR 411 CO 0.06 0.07 2.40 0.00 -2.21 0.00 0.00 174.62 174.94 1md7 n THR 413 N 7.86 0.00 0.15 0.00 -2.24 -0.32 -1.22 114.28 118.51 1md7 n THR 413 Ca 0.50 -0.17 0.06 0.00 -2.27 0.00 0.00 64.05 62.17 1md7 n THR 413 Cb 0.37 -0.91 0.53 0.00 -2.10 0.00 0.00 70.33 68.22 1md7 n THR 413 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1md7 h ALA 414 N -2.06 1.84 -0.01 6.98 0.00 -1.91 -2.61 119.26 121.49 1md7 h ALA 414 Ca -0.49 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.39 1md7 h ALA 414 Cb 1.29 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1md7 h ALA 414 CO 0.42 0.14 0.00 1.96 0.00 0.00 0.00 179.25 181.77 1md7 h GLN 415 N 0.24 0.01 0.00 0.00 1.08 -2.00 -3.46 115.11 110.98 1md7 h GLN 415 Ca 0.06 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1md7 h GLN 415 Cb 0.01 -0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.44 1md7 h GLN 415 CO -0.01 0.06 0.00 0.41 -0.95 0.00 0.00 178.83 178.33 1md7 n GLY 416 N -0.96 0.13 3.05 3.46 0.00 -0.98 -4.92 105.19 104.97 1md7 n GLY 416 Ca -0.07 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1md7 n GLY 416 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1md7 s ILE 417 N -0.18 0.36 0.35 -0.61 -0.00 -1.26 -4.42 121.20 115.44 1md7 s ILE 417 Ca 0.00 -1.25 -0.26 0.00 -0.00 0.00 0.00 60.65 59.14 1md7 s ILE 417 Cb 0.00 -0.78 -0.09 0.00 -0.00 0.00 0.00 42.46 41.59 1md7 s ILE 417 CO 0.00 -0.59 1.00 0.26 -0.00 0.00 0.00 174.94 175.61 1md7 s TRP 418 N -2.12 3.52 0.27 1.37 0.52 -1.26 -1.17 118.94 120.06 1md7 s TRP 418 Ca -0.06 1.72 -0.05 0.00 0.02 0.00 0.00 56.10 57.73 1md7 s TRP 418 Cb -0.05 -3.05 -0.01 0.00 -1.15 0.00 0.00 33.47 29.21 1md7 s TRP 418 CO -0.02 -0.20 0.37 0.15 0.02 0.00 0.00 176.95 177.26 1md7 s LYS 419 N -2.14 1.57 -0.21 4.98 1.02 -1.18 -3.51 119.74 120.27 1md7 s LYS 419 Ca 0.52 -1.56 -0.04 0.00 0.02 0.00 0.00 55.97 54.92 1md7 s LYS 419 Cb -0.22 0.40 0.11 0.00 -0.52 0.00 0.00 37.83 37.60 1md7 s LYS 419 CO 0.27 -0.62 0.32 1.21 -0.92 0.00 0.00 175.35 175.61 1md7 s ASN 420 N -3.15 0.54 0.00 2.83 3.04 -1.26 -1.42 114.94 115.51 1md7 s ASN 420 Ca 0.31 0.24 0.00 0.00 0.04 0.00 0.00 52.86 53.45 1md7 s ASN 420 Cb 0.02 0.86 0.00 0.00 -1.54 0.00 0.00 41.25 40.58 1md7 s ASN 420 CO 0.14 -0.29 0.00 -0.62 -3.04 0.00 0.00 177.10 173.29 1md7 n GLU 421 N 5.35 0.00 0.00 0.43 -0.58 -1.26 0.29 120.64 124.87 1md7 n GLU 421 Ca -0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.69 1md7 n GLU 421 Cb 0.50 -0.71 0.00 0.00 -0.57 0.00 0.00 31.44 30.66 1md7 n GLU 421 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 1md7 n GLN 422 N 0.07 0.00 -0.16 3.49 6.02 -1.26 -4.89 117.38 120.65 1md7 n GLN 422 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 1md7 n GLN 422 Cb 0.00 -0.35 0.03 0.00 1.02 0.00 0.00 30.24 30.93 1md7 n GLN 422 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1md7 n LYS 423 N -2.52 0.83 0.00 -1.09 2.85 -0.91 -5.12 118.16 112.19 1md7 n LYS 423 Ca 0.00 -1.23 0.00 0.00 -1.05 0.00 0.00 58.31 56.03 1md7 n LYS 423 Cb 0.22 -0.78 0.00 0.00 -0.65 0.00 0.00 35.03 33.82 1md7 n LYS 423 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1md7 n GLY 424 N -0.37 0.00 3.65 2.58 0.00 0.14 -2.97 105.19 108.24 1md7 n GLY 424 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1md7 n GLY 424 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1md7 n GLU 425 N 0.00 0.00 -5.05 1.61 4.07 -1.23 -4.83 120.64 115.21 1md7 n GLU 425 Ca 0.00 0.00 -0.32 0.00 -0.06 0.00 0.00 57.16 56.78 1md7 n GLU 425 Cb 0.00 -0.98 -0.16 0.00 -0.06 0.00 0.00 31.44 30.24 1md7 n GLU 425 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1md7 s LYS 426 N -0.06 3.09 0.42 5.31 2.47 -1.16 -5.03 119.74 124.77 1md7 s LYS 426 Ca 0.00 -0.81 -0.26 0.00 -1.56 0.00 0.00 55.97 53.35 1md7 s LYS 426 Cb 0.00 -2.41 -0.08 0.00 -1.46 0.00 0.00 37.83 33.88 1md7 s LYS 426 CO 0.00 0.24 1.31 0.42 0.16 0.00 0.00 175.35 177.48 1md7 s ILE 427 N 0.24 2.56 1.39 5.43 -1.09 -1.26 -4.94 121.20 123.53 1md7 s ILE 427 Ca -0.13 0.50 -0.23 0.00 -2.23 0.00 0.00 60.65 58.56 1md7 s ILE 427 Cb -0.16 -3.29 0.36 0.00 -1.58 0.00 0.00 42.46 37.78 1md7 s ILE 427 CO 0.07 0.07 0.95 -0.81 -1.23 0.00 0.00 174.94 173.98 1md7 n PRO 428 N 0.04 -4.31 -4.36 2.79 -0.04 -1.26 -5.05 135.00 122.81 1md7 n PRO 428 Ca 0.04 -1.56 -0.23 0.00 -0.04 0.00 0.00 63.50 61.72 1md7 n PRO 428 Cb 0.44 -1.81 -0.16 0.00 -0.04 0.00 0.00 33.50 31.92 1md7 n PRO 428 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1md7 s ARG 429 N -5.22 1.28 -0.08 0.54 3.52 -1.26 -4.99 118.95 112.74 1md7 s ARG 429 Ca 0.68 -0.26 -0.12 0.00 -0.13 0.00 0.00 55.73 55.90 1md7 s ARG 429 Cb -0.10 -1.15 -0.05 0.00 -1.56 0.00 0.00 34.95 32.09 1md7 s ARG 429 CO 0.56 -0.04 0.30 0.00 -0.81 0.00 0.00 175.30 175.31 1md7 s LEU 431 N -0.57 2.36 0.33 0.00 1.43 -0.96 -4.91 118.68 116.36 1md7 s LEU 431 Ca 0.19 -1.31 0.03 0.00 -1.03 0.00 0.00 54.13 52.02 1md7 s LEU 431 Cb -0.14 -0.51 -0.02 0.00 0.03 0.00 0.00 46.19 45.54 1md7 s LEU 431 CO 0.08 -0.50 0.50 -2.16 0.23 0.00 0.00 176.35 174.50 1md7 s PRO 432 N -3.82 3.30 -0.28 1.29 0.04 -1.26 0.64 135.00 134.92 1md7 s PRO 432 Ca 0.34 -0.66 -0.20 0.00 0.04 0.00 0.00 61.00 60.51 1md7 s PRO 432 Cb 0.07 -2.75 -0.01 0.00 0.04 0.00 0.00 34.50 31.85 1md7 s PRO 432 CO 0.14 0.13 0.63 0.14 0.04 0.00 0.00 177.00 178.08 1md7 s VAL 433 N -2.23 4.96 0.63 -0.36 -7.23 -0.48 -4.80 120.40 110.89 1md7 s VAL 433 Ca 0.41 1.01 -0.08 0.00 -1.81 0.00 0.00 61.98 61.51 1md7 s VAL 433 Cb -0.09 -3.96 0.01 0.00 0.56 0.00 0.00 36.38 32.89 1md7 s VAL 433 CO 0.33 -0.05 0.98 0.00 -0.31 0.00 0.00 175.10 176.05 1md7 n GLY 435 N -2.74 0.02 2.67 0.00 0.00 0.24 -4.74 105.19 100.65 1md7 n GLY 435 Ca 0.05 0.12 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 1md7 n GLY 435 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1md7 n LYS 436 N 0.10 0.15 -0.76 1.61 4.81 -1.26 -3.05 118.16 119.76 1md7 n LYS 436 Ca -0.01 -0.73 -0.28 0.00 -0.87 0.00 0.00 58.31 56.41 1md7 n LYS 436 Cb 0.09 -0.26 0.24 0.00 0.02 0.00 0.00 35.03 35.12 1md7 n LYS 436 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1md7 s PRO 437 N 0.11 -0.78 -0.22 1.64 0.04 -1.26 -4.94 135.00 129.59 1md7 s PRO 437 Ca 0.25 0.59 0.15 0.00 0.04 0.00 0.00 61.00 62.04 1md7 s PRO 437 Cb 0.22 -1.59 0.70 0.00 0.04 0.00 0.00 34.50 33.88 1md7 s PRO 437 CO -0.11 -3.57 1.62 1.55 0.04 0.00 0.00 177.00 176.53 1md7 n VAL 438 N -4.77 2.58 -2.73 -0.36 3.14 -1.26 -4.61 118.33 110.32 1md7 n VAL 438 Ca 0.05 -1.61 -0.09 0.00 -2.96 0.00 0.00 64.34 59.73 1md7 n VAL 438 Cb 0.56 -0.27 0.09 0.00 -1.06 0.00 0.00 33.84 33.16 1md7 n VAL 438 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 1md7 n ASN 439 N 0.14 -2.28 -3.29 6.55 3.02 -1.26 -5.06 115.26 113.08 1md7 n ASN 439 Ca 0.25 -3.55 0.00 0.00 -0.03 0.00 0.00 54.58 51.26 1md7 n ASN 439 Cb 1.08 1.84 0.00 0.00 -0.61 0.00 0.00 39.78 42.09 1md7 n ASN 439 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1md7 n PRO 440 N 0.29 0.16 -3.47 3.52 -0.02 -1.26 -3.09 135.00 131.12 1md7 n PRO 440 Ca 0.05 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.50 1md7 n PRO 440 Cb 0.71 0.00 -0.05 0.00 -0.02 0.00 0.00 33.50 34.14 1md7 n PRO 440 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1md7 s VAL 441 N -0.36 -0.84 0.00 -1.45 -7.23 -1.26 -4.84 120.40 104.41 1md7 s VAL 441 Ca 0.00 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.20 1md7 s VAL 441 Cb 0.00 -0.88 0.00 0.00 0.56 0.00 0.00 36.38 36.06 1md7 s VAL 441 CO 0.00 -0.00 0.00 1.21 -0.31 0.00 0.00 175.10 176.00 1md7 n GLU 442 N 5.41 0.00 0.00 4.82 2.13 -1.26 -5.21 120.64 126.53 1md7 n GLU 442 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 1md7 n GLU 442 Cb 0.50 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.21 1md7 n GLU 442 CO 0.00 0.00 0.00 1.51 -0.41 0.00 0.00 177.13 178.23 1md7 n ILE 447 N 0.00 0.00 -3.70 6.31 3.06 -1.26 -5.19 119.36 118.58 1md7 n ILE 447 Ca 0.00 0.00 -0.12 0.00 -2.50 0.00 0.00 62.75 60.13 1md7 n ILE 447 Cb 0.00 0.00 -0.07 0.00 0.54 0.00 0.00 39.64 40.11 1md7 n ILE 447 CO 0.00 0.00 0.00 -0.63 -2.50 0.00 0.00 176.55 173.42 1md7 s ILE 448 N 0.00 0.07 0.06 9.51 1.01 -1.26 -4.95 121.20 125.64 1md7 s ILE 448 Ca 0.00 -0.55 -0.09 0.00 0.00 0.00 0.00 60.65 60.01 1md7 s ILE 448 Cb 0.00 -0.94 0.03 0.00 0.01 0.00 0.00 42.46 41.56 1md7 s ILE 448 CO 0.00 -0.30 0.41 0.61 0.00 0.00 0.00 174.94 175.66 1md7 n GLY 449 N 0.55 0.96 2.52 6.18 0.00 -1.26 -4.99 105.19 109.15 1md7 n GLY 449 Ca -0.19 -1.00 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 1md7 n GLY 449 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1md7 n GLY 450 N -0.29 1.28 0.00 -0.02 0.00 -1.26 -3.24 105.19 101.66 1md7 n GLY 450 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1md7 n GLY 450 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1md7 n GLN 451 N 1.31 2.74 -3.52 1.61 10.64 -1.07 -4.89 117.38 124.20 1md7 n GLN 451 Ca 0.14 0.00 -0.26 0.00 -1.83 0.00 0.00 57.00 55.05 1md7 n GLN 451 Cb 0.61 0.00 -0.02 0.00 -0.86 0.00 0.00 30.24 29.96 1md7 n GLN 451 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.06 175.44 1md7 s LYS 452 N 1.66 3.53 -0.01 2.61 2.20 -1.26 -1.69 119.74 126.78 1md7 s LYS 452 Ca 0.00 -0.27 -0.01 0.00 -0.36 0.00 0.00 55.97 55.33 1md7 s LYS 452 Cb 0.00 -2.74 -0.04 0.00 -1.51 0.00 0.00 37.83 33.55 1md7 s LYS 452 CO 0.00 0.27 0.08 0.00 -0.36 0.00 0.00 175.35 175.35 1md7 s ALA 453 N -2.07 3.59 -0.08 3.13 0.00 -0.79 -4.77 121.76 120.78 1md7 s ALA 453 Ca 0.40 -0.86 0.02 0.00 0.00 0.00 0.00 51.96 51.52 1md7 s ALA 453 Cb -0.10 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.39 1md7 s ALA 453 CO 0.31 0.69 -0.13 0.21 0.00 0.00 0.00 175.76 176.84 1md7 s LYS 454 N -1.68 2.82 -0.42 0.00 2.47 -1.26 -4.90 119.74 116.76 1md7 s LYS 454 Ca 0.22 -0.67 -0.37 0.00 -1.56 0.00 0.00 55.97 53.60 1md7 s LYS 454 Cb -0.12 -2.49 -0.16 0.00 -1.46 0.00 0.00 37.83 33.60 1md7 s LYS 454 CO 0.13 0.50 1.77 -1.33 0.16 0.00 0.00 175.35 176.59 1md7 n MET 455 N 2.67 0.00 0.00 4.03 2.81 -1.26 -1.23 117.12 124.14 1md7 n MET 455 Ca -0.18 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.71 1md7 n MET 455 Cb 0.52 -1.26 0.00 0.00 -0.71 0.00 0.00 33.22 31.77 1md7 n MET 455 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1md7 n GLY 456 N 6.14 2.18 0.23 3.03 0.00 -1.26 -4.96 105.19 110.55 1md7 n GLY 456 Ca 0.45 -0.76 -0.02 0.00 0.00 0.00 0.00 46.02 45.69 1md7 n GLY 456 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1md7 h ASN 457 N 1.95 -0.55 -3.51 1.61 2.35 -1.10 -3.25 115.58 113.07 1md7 h ASN 457 Ca 0.00 0.17 -0.62 0.00 -0.55 0.00 0.00 56.30 55.30 1md7 h ASN 457 Cb 0.00 0.36 -0.41 0.00 0.05 0.00 0.00 38.32 38.32 1md7 h ASN 457 CO 0.00 -0.19 -0.63 -0.36 -1.65 0.00 0.00 177.43 174.59 1md7 s PHE 458 N -6.22 3.12 -0.09 1.19 0.40 -1.26 -4.79 117.98 110.32 1md7 s PHE 458 Ca -0.14 -3.13 0.23 0.00 -0.60 0.00 0.00 56.93 53.29 1md7 s PHE 458 Cb 0.18 -2.54 0.63 0.00 0.51 0.00 0.00 43.02 41.80 1md7 s PHE 458 CO 0.73 -0.65 1.70 -1.00 0.70 0.00 0.00 175.22 176.70 1md7 h PRO 459 N 5.91 0.00 -0.28 0.24 0.13 -1.76 -3.20 132.00 133.04 1md7 h PRO 459 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 1md7 h PRO 459 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 1md7 h PRO 459 CO 0.66 0.20 0.00 -2.67 -0.23 0.00 0.00 178.00 175.96 1md7 n TRP 460 N -3.23 0.36 -2.31 1.56 2.14 -0.96 -1.82 117.44 113.18 1md7 n TRP 460 Ca 0.02 -0.18 -0.42 0.00 2.07 0.00 0.00 57.50 58.99 1md7 n TRP 460 Cb 0.51 0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.98 1md7 n TRP 460 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1md7 s GLN 461 N -1.64 4.39 -0.03 -2.67 2.00 -1.21 -0.62 119.66 119.88 1md7 s GLN 461 Ca 0.31 1.90 0.07 0.00 -2.00 0.00 0.00 55.36 55.65 1md7 s GLN 461 Cb 0.17 -3.30 -0.02 0.00 0.80 0.00 0.00 33.01 30.66 1md7 s GLN 461 CO 0.24 -0.31 -0.25 0.08 -0.50 0.00 0.00 175.29 174.55 1md7 s VAL 462 N 0.97 2.13 -0.16 1.34 1.01 0.14 -4.36 120.40 121.47 1md7 s VAL 462 Ca 0.60 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 61.51 1md7 s VAL 462 Cb -0.33 -1.74 -0.00 0.00 0.00 0.00 0.00 36.38 34.31 1md7 s VAL 462 CO 0.30 0.58 -0.15 0.12 0.00 0.00 0.00 175.10 175.95 1md7 s PHE 463 N -0.53 2.79 0.49 5.22 5.36 -0.72 -1.46 117.98 129.13 1md7 s PHE 463 Ca 0.07 -1.07 0.06 0.00 -0.96 0.00 0.00 56.93 55.04 1md7 s PHE 463 Cb -0.11 -1.90 0.01 0.00 -0.34 0.00 0.00 43.02 40.68 1md7 s PHE 463 CO 0.00 -0.49 0.33 0.95 -1.46 0.00 0.00 175.22 174.55 1md7 s THR 464 N 0.86 1.96 -0.48 0.12 -4.23 -1.05 -0.97 115.64 111.85 1md7 s THR 464 Ca -0.04 -1.53 0.06 0.00 -1.18 0.00 0.00 61.69 59.00 1md7 s THR 464 Cb -0.15 -2.49 0.27 0.00 1.34 0.00 0.00 72.50 71.47 1md7 s THR 464 CO -0.01 0.00 0.97 -3.20 -0.54 0.00 0.00 174.62 171.84 1md7 n ASN 465 N -1.59 -2.64 0.00 3.99 2.85 0.30 -2.95 115.26 115.22 1md7 n ASN 465 Ca -0.01 -3.44 0.00 0.00 -0.11 0.00 0.00 54.58 51.01 1md7 n ASN 465 Cb 0.64 1.83 0.00 0.00 1.24 0.00 0.00 39.78 43.49 1md7 n ASN 465 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 1md7 n ILE 466 N 1.17 0.00 -2.81 -1.44 5.41 -1.26 -3.50 119.36 116.93 1md7 n ILE 466 Ca 0.08 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.45 1md7 n ILE 466 Cb 0.65 -0.21 0.00 0.00 -0.71 0.00 0.00 39.64 39.37 1md7 n ILE 466 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1md7 n HIS 467 N 0.00 2.93 0.00 1.39 8.25 -1.26 -4.78 115.22 121.75 1md7 n HIS 467 Ca 0.00 -2.90 0.00 0.00 -0.26 0.00 0.00 57.72 54.56 1md7 n HIS 467 Cb 0.00 -1.05 0.00 0.00 1.12 0.00 0.00 29.99 30.06 1md7 n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1md7 n GLY 468 N 0.23 1.08 3.72 -1.41 0.00 -1.26 -4.90 105.19 102.65 1md7 n GLY 468 Ca 0.39 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.89 1md7 n GLY 468 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1md7 s ARG 469 N -1.49 4.29 0.00 1.61 0.52 -1.26 -4.21 118.95 118.40 1md7 s ARG 469 Ca 0.00 2.17 0.00 0.00 -0.52 0.00 0.00 55.73 57.38 1md7 s ARG 469 Cb 0.00 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.26 1md7 s ARG 469 CO 0.00 -0.48 0.00 0.41 0.02 0.00 0.00 175.30 175.25 1md7 n GLY 470 N 3.51 4.34 3.62 -3.53 0.00 -1.15 -4.80 105.19 107.19 1md7 n GLY 470 Ca 0.12 -1.71 -0.10 0.00 0.00 0.00 0.00 46.02 44.33 1md7 n GLY 470 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1md7 s GLY 471 N -0.82 0.58 -0.14 -0.02 0.00 -0.38 -2.55 107.32 103.99 1md7 s GLY 471 Ca 0.00 -0.89 -0.34 0.00 0.00 0.00 0.00 44.72 43.49 1md7 s GLY 471 CO 0.00 -0.59 1.24 -0.32 0.00 0.00 0.00 173.10 173.43 1md7 s GLY 472 N -3.04 -0.33 -0.05 0.20 0.00 -0.54 -3.57 107.32 99.99 1md7 s GLY 472 Ca 0.22 1.34 0.05 0.00 0.00 0.00 0.00 44.72 46.33 1md7 s GLY 472 CO 0.10 0.41 -0.21 0.00 0.00 0.00 0.00 173.10 173.41 1md7 s ALA 473 N -2.40 2.37 0.30 3.20 0.00 -0.59 0.27 121.76 124.91 1md7 s ALA 473 Ca 0.11 -1.03 -0.29 0.00 0.00 0.00 0.00 51.96 50.74 1md7 s ALA 473 Cb 0.01 -0.78 -0.10 0.00 0.00 0.00 0.00 23.12 22.25 1md7 s ALA 473 CO -0.04 0.48 1.21 -1.17 0.00 0.00 0.00 175.76 176.24 1md7 s LEU 474 N -0.45 4.48 -0.09 0.00 0.20 0.21 0.39 118.68 123.43 1md7 s LEU 474 Ca 0.05 2.49 0.02 0.00 0.69 0.00 0.00 54.13 57.38 1md7 s LEU 474 Cb -0.12 -3.64 0.02 0.00 -0.43 0.00 0.00 46.19 42.02 1md7 s LEU 474 CO 0.01 -0.35 -0.13 -0.76 -0.29 0.00 0.00 176.35 174.83 1md7 s LEU 475 N -1.60 1.60 0.00 -0.68 1.43 0.40 -2.99 118.68 116.85 1md7 s LEU 475 Ca 0.47 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 53.22 1md7 s LEU 475 Cb -0.36 -0.94 0.00 0.00 0.03 0.00 0.00 46.19 44.92 1md7 s LEU 475 CO 0.47 0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.66 1md7 n GLY 476 N 4.16 3.29 0.08 -3.19 0.00 -1.26 -2.80 105.19 105.46 1md7 n GLY 476 Ca -0.20 -0.21 -0.06 0.00 0.00 0.00 0.00 46.02 45.56 1md7 n GLY 476 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1md7 n ASP 477 N 3.90 0.39 -2.72 1.61 4.64 -1.26 -4.53 116.55 118.58 1md7 n ASP 477 Ca 0.00 0.00 -0.03 0.00 -1.38 0.00 0.00 54.79 53.38 1md7 n ASP 477 Cb 0.00 1.12 0.10 0.00 -1.04 0.00 0.00 41.12 41.30 1md7 n ASP 477 CO 0.00 0.00 0.00 -2.11 -0.82 0.00 0.00 177.20 174.27 1md7 n ARG 478 N -2.61 1.42 -3.89 -0.67 1.85 -1.25 -2.78 116.66 108.73 1md7 n ARG 478 Ca -0.26 -2.13 -0.12 0.00 -1.00 0.00 0.00 57.85 54.35 1md7 n ARG 478 Cb 1.01 -0.36 -0.14 0.00 -1.05 0.00 0.00 32.46 31.92 1md7 n ARG 478 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1md7 s TRP 479 N -1.23 0.05 -0.08 2.89 0.52 -1.12 -1.93 118.94 118.04 1md7 s TRP 479 Ca 0.18 -0.08 0.05 0.00 0.02 0.00 0.00 56.10 56.26 1md7 s TRP 479 Cb 0.41 -0.04 -0.00 0.00 -1.15 0.00 0.00 33.47 32.69 1md7 s TRP 479 CO -0.08 -0.03 -0.23 0.96 0.02 0.00 0.00 176.95 177.59 1md7 s ILE 480 N -0.21 1.98 0.16 2.03 -5.25 -0.17 -0.45 121.20 119.28 1md7 s ILE 480 Ca -0.02 -0.99 -0.20 0.00 -0.99 0.00 0.00 60.65 58.45 1md7 s ILE 480 Cb -0.01 -1.70 -0.08 0.00 2.95 0.00 0.00 42.46 43.62 1md7 s ILE 480 CO -0.00 0.54 0.66 -0.22 -1.79 0.00 0.00 174.94 174.14 1md7 s LEU 481 N 0.20 4.44 0.02 0.37 2.96 0.16 -1.56 118.68 125.27 1md7 s LEU 481 Ca -0.14 1.36 -0.28 0.00 -0.22 0.00 0.00 54.13 54.85 1md7 s LEU 481 Cb -0.16 -3.30 0.10 0.00 0.50 0.00 0.00 46.19 43.33 1md7 s LEU 481 CO 0.07 0.14 0.87 0.28 -1.32 0.00 0.00 176.35 176.39 1md7 s THR 482 N -1.34 0.00 0.35 3.68 -1.32 -0.41 -1.54 115.64 115.06 1md7 s THR 482 Ca 0.37 -0.06 -0.25 0.00 -1.21 0.00 0.00 61.69 60.54 1md7 s THR 482 Cb -0.18 -1.09 -0.10 0.00 -1.51 0.00 0.00 72.50 69.61 1md7 s THR 482 CO 0.21 0.00 0.97 0.00 -2.21 0.00 0.00 174.62 173.59 1md7 s ALA 483 N -3.18 3.17 0.10 11.08 0.00 -1.26 0.17 121.76 131.83 1md7 s ALA 483 Ca 0.05 0.55 -0.17 0.00 0.00 0.00 0.00 51.96 52.39 1md7 s ALA 483 Cb -0.01 -3.20 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 1md7 s ALA 483 CO -0.08 0.09 1.56 0.00 0.00 0.00 0.00 175.76 177.32 1md7 h ALA 484 N 2.88 0.42 0.00 0.00 0.00 -1.73 -3.02 119.26 117.81 1md7 h ALA 484 Ca -0.47 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1md7 h ALA 484 Cb 1.19 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1md7 h ALA 484 CO 0.64 0.15 0.20 -2.39 0.00 0.00 0.00 179.25 177.85 1md7 n HIS 485 N -4.58 0.34 0.01 0.00 1.44 -1.26 -1.11 115.22 110.06 1md7 n HIS 485 Ca -0.02 0.18 -0.06 0.00 -2.01 0.00 0.00 57.72 55.80 1md7 n HIS 485 Cb 0.24 -0.63 0.14 0.00 0.12 0.00 0.00 29.99 29.86 1md7 n HIS 485 CO 0.00 0.00 0.00 1.15 -2.81 0.00 0.00 176.34 174.68 1md7 h THR 486 N 0.00 1.29 0.00 0.61 2.02 -1.93 -3.13 112.91 111.78 1md7 h THR 486 Ca 0.00 -1.50 0.00 0.00 0.77 0.00 0.00 66.41 65.68 1md7 h THR 486 Cb 0.39 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 1md7 h THR 486 CO 0.00 0.47 0.00 0.18 0.37 0.00 0.00 175.52 176.54 1md7 n LEU 487 N -4.05 0.60 -4.52 2.58 4.77 -0.26 -4.30 117.00 111.83 1md7 n LEU 487 Ca -0.01 0.61 -0.28 0.00 -0.03 0.00 0.00 56.01 56.30 1md7 n LEU 487 Cb 0.49 -0.49 -0.11 0.00 -2.33 0.00 0.00 43.42 40.98 1md7 n LEU 487 CO 0.44 -0.38 -0.46 -0.31 -1.33 0.00 0.00 177.39 175.34 1md7 s TYR 488 N -3.20 2.56 0.72 -1.77 1.51 -1.18 -4.91 117.35 111.08 1md7 s TYR 488 Ca 0.07 -0.25 -0.15 0.00 -1.01 0.00 0.00 57.07 55.73 1md7 s TYR 488 Cb 0.11 -1.32 0.04 0.00 -0.11 0.00 0.00 41.96 40.68 1md7 s TYR 488 CO 0.45 0.44 1.18 -1.25 -1.11 0.00 0.00 175.55 175.26 1md7 s PRO 489 N -2.42 2.23 0.16 -1.71 0.04 -1.26 -4.91 135.00 127.12 1md7 s PRO 489 Ca 0.21 1.68 -0.28 0.00 0.04 0.00 0.00 61.00 62.65 1md7 s PRO 489 Cb -0.10 -1.85 -0.07 0.00 0.04 0.00 0.00 34.50 32.52 1md7 s PRO 489 CO 0.12 -1.75 0.86 -1.59 0.04 0.00 0.00 177.00 174.68 1md7 s LYS 490 N -3.98 4.67 0.90 4.56 -2.85 -1.26 -4.98 119.74 116.80 1md7 s LYS 490 Ca 0.72 1.30 -0.15 0.00 -1.00 0.00 0.00 55.97 56.85 1md7 s LYS 490 Cb -0.27 -3.31 -0.07 0.00 -2.06 0.00 0.00 37.83 32.12 1md7 s LYS 490 CO 0.45 0.43 -0.11 0.39 0.10 0.00 0.00 175.35 176.61 1md7 n GLU 491 N 2.03 -0.06 -0.98 1.78 1.02 -1.26 -1.68 120.64 121.48 1md7 n GLU 491 Ca -0.02 0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1md7 n GLU 491 Cb 0.49 -1.44 0.00 0.00 -0.02 0.00 0.00 31.44 30.47 1md7 n GLU 491 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1md7 n HIS 492 N -2.81 0.00 -4.38 -0.32 8.25 -1.26 -4.97 115.22 109.73 1md7 n HIS 492 Ca 0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.21 1md7 n HIS 492 Cb 0.53 -0.82 -0.12 0.00 1.12 0.00 0.00 29.99 30.71 1md7 n HIS 492 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 1md7 s GLU 493 N -0.80 1.52 0.33 -0.41 2.12 -0.67 -5.13 118.70 115.65 1md7 s GLU 493 Ca 0.00 -1.37 -0.11 0.00 0.36 0.00 0.00 54.97 53.85 1md7 s GLU 493 Cb 0.00 -1.93 -0.07 0.00 0.26 0.00 0.00 34.13 32.39 1md7 s GLU 493 CO 0.00 0.44 0.68 0.00 -0.54 0.00 0.00 175.26 175.84 1md7 s ALA 494 N -1.27 3.42 0.68 6.30 0.00 -1.26 -4.87 121.76 124.76 1md7 s ALA 494 Ca 0.17 -0.19 -0.16 0.00 0.00 0.00 0.00 51.96 51.78 1md7 s ALA 494 Cb -0.09 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.43 1md7 s ALA 494 CO 0.08 0.25 1.21 -0.65 0.00 0.00 0.00 175.76 176.64 1md7 s GLN 495 N -3.31 2.46 -0.09 0.00 -0.21 -1.26 -4.97 119.66 112.27 1md7 s GLN 495 Ca 0.50 1.78 -0.31 0.00 0.02 0.00 0.00 55.36 57.35 1md7 s GLN 495 Cb -0.10 -1.87 0.12 0.00 1.00 0.00 0.00 33.01 32.16 1md7 s GLN 495 CO 0.24 -1.60 1.03 -1.54 -2.12 0.00 0.00 175.29 171.31 1md7 s SER 496 N -1.90 -0.27 0.98 5.90 1.04 -1.26 -5.12 113.70 113.07 1md7 s SER 496 Ca 0.75 0.03 -0.12 0.00 0.48 0.00 0.00 55.95 57.09 1md7 s SER 496 Cb -0.30 0.28 0.12 0.00 0.10 0.00 0.00 66.02 66.22 1md7 s SER 496 CO 0.41 -0.44 0.77 0.59 0.98 0.00 0.00 173.24 175.56 1md7 n ASN 497 N -0.11 -1.00 -2.87 7.02 3.02 -1.26 -4.96 115.26 115.10 1md7 n ASN 497 Ca -0.05 0.27 0.03 0.00 -0.03 0.00 0.00 54.58 54.81 1md7 n ASN 497 Cb 0.60 -1.31 0.01 0.00 -0.61 0.00 0.00 39.78 38.46 1md7 n ASN 497 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1md7 s ALA 498 N -2.49 -4.65 0.58 5.41 0.00 -1.26 -5.11 121.76 114.23 1md7 s ALA 498 Ca 0.63 1.45 -0.20 0.00 0.00 0.00 0.00 51.96 53.84 1md7 s ALA 498 Cb -0.22 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 1md7 s ALA 498 CO 0.63 -2.39 1.23 -1.54 0.00 0.00 0.00 175.76 173.69 1md7 s SER 499 N 2.38 5.23 -0.53 0.00 1.04 -1.26 -4.97 113.70 115.60 1md7 s SER 499 Ca 0.21 2.46 -0.20 0.00 0.48 0.00 0.00 55.95 58.91 1md7 s SER 499 Cb 0.03 -2.61 0.06 0.00 0.10 0.00 0.00 66.02 63.60 1md7 s SER 499 CO -0.19 -1.57 0.70 -0.76 0.98 0.00 0.00 173.24 172.40 1md7 s LEU 500 N -3.92 4.87 -0.23 2.42 1.43 -1.26 -4.39 118.68 117.61 1md7 s LEU 500 Ca 0.76 -0.91 -0.07 0.00 -1.03 0.00 0.00 54.13 52.88 1md7 s LEU 500 Cb -0.32 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.39 1md7 s LEU 500 CO 0.36 -0.99 0.06 -1.81 0.23 0.00 0.00 176.35 174.19 1md7 s ASP 501 N 2.88 5.16 -0.09 2.29 1.01 -1.23 -4.84 116.67 121.85 1md7 s ASP 501 Ca 0.17 -0.16 0.04 0.00 0.71 0.00 0.00 52.55 53.31 1md7 s ASP 501 Cb -0.19 -1.91 0.00 0.00 1.01 0.00 0.00 42.92 41.83 1md7 s ASP 501 CO 0.12 0.02 -0.21 -0.69 0.21 0.00 0.00 175.17 174.61 1md7 s VAL 502 N 1.30 1.87 0.15 -1.27 1.01 -1.26 -0.54 120.40 121.66 1md7 s VAL 502 Ca 0.05 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.18 1md7 s VAL 502 Cb -0.15 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1md7 s VAL 502 CO 0.03 0.52 -0.13 -0.36 0.00 0.00 0.00 175.10 175.15 1md7 s PHE 503 N 0.43 1.45 0.18 5.22 0.40 -0.14 -1.39 117.98 124.12 1md7 s PHE 503 Ca -0.17 -0.60 -0.22 0.00 -0.60 0.00 0.00 56.93 55.34 1md7 s PHE 503 Cb -0.17 -0.73 0.06 0.00 0.51 0.00 0.00 43.02 42.68 1md7 s PHE 503 CO 0.07 0.18 0.60 -0.51 0.70 0.00 0.00 175.22 176.27 1md7 s LEU 504 N -2.79 -0.41 0.00 -0.37 1.02 -1.26 -1.76 118.68 113.11 1md7 s LEU 504 Ca 0.14 -0.17 0.00 0.00 0.02 0.00 0.00 54.13 54.12 1md7 s LEU 504 Cb -0.02 2.54 0.00 0.00 0.02 0.00 0.00 46.19 48.73 1md7 s LEU 504 CO 0.03 -1.04 0.00 0.61 0.02 0.00 0.00 176.35 175.97 1md7 n GLY 505 N -0.38 1.02 0.00 -3.19 0.00 -1.26 -4.97 105.19 96.41 1md7 n GLY 505 Ca -0.14 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.56 1md7 n GLY 505 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1md7 n HIS 506 N -1.30 0.00 0.21 1.61 -0.00 -1.26 -4.95 115.22 109.53 1md7 n HIS 506 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.72 57.75 1md7 n HIS 506 Cb 0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.18 1md7 n HIS 506 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1md7 n THR 507 N -0.16 0.00 -3.80 3.57 -2.24 -1.26 -4.96 114.28 105.43 1md7 n THR 507 Ca 0.00 -0.32 -0.26 0.00 -2.27 0.00 0.00 64.05 61.20 1md7 n THR 507 Cb 0.00 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.06 1md7 n THR 507 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1md7 s ASN 508 N -1.79 6.36 -0.08 3.42 3.84 -1.26 -1.46 114.94 123.97 1md7 s ASN 508 Ca 0.01 0.28 -0.12 0.00 0.21 0.00 0.00 52.86 53.24 1md7 s ASN 508 Cb 0.04 -1.96 -0.09 0.00 -0.55 0.00 0.00 41.25 38.70 1md7 s ASN 508 CO 0.24 -0.02 0.45 0.58 -2.79 0.00 0.00 177.10 175.55 1md7 h VAL 509 N 1.49 0.42 -0.95 -5.21 2.07 -1.82 -2.65 116.25 109.60 1md7 h VAL 509 Ca -0.49 -1.10 0.18 0.00 0.82 0.00 0.00 66.70 66.11 1md7 h VAL 509 Cb 1.20 0.74 -0.08 0.00 -1.52 0.00 0.00 31.29 31.63 1md7 h VAL 509 CO 0.67 0.13 0.60 -0.33 0.02 0.00 0.00 177.57 178.66 1md7 h GLU 510 N -1.00 0.65 0.34 1.57 3.07 -1.97 -1.21 114.58 116.03 1md7 h GLU 510 Ca -0.02 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 1md7 h GLU 510 Cb 0.35 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.11 1md7 h GLU 510 CO 0.03 0.43 -0.16 0.93 -1.40 0.00 0.00 179.01 178.84 1md7 h GLU 511 N 0.67 -0.44 -0.80 2.33 4.39 -1.98 0.58 114.58 119.32 1md7 h GLU 511 Ca 0.51 0.03 0.22 0.00 0.34 0.00 0.00 59.36 60.47 1md7 h GLU 511 Cb 0.90 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.61 1md7 h GLU 511 CO -0.27 -0.20 0.57 -0.07 -1.16 0.00 0.00 179.01 177.88 1md7 h LEU 512 N -0.61 0.05 -0.02 1.33 3.38 -0.93 0.96 115.31 119.48 1md7 h LEU 512 Ca -0.05 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 1md7 h LEU 512 Cb 0.44 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1md7 h LEU 512 CO 0.08 0.02 -0.15 0.24 0.09 0.00 0.00 178.44 178.72 1md7 h MET 513 N 0.05 0.13 -0.57 1.13 2.86 -0.63 -2.83 114.93 115.08 1md7 h MET 513 Ca 0.38 -0.12 0.11 0.00 -2.06 0.00 0.00 59.70 58.02 1md7 h MET 513 Cb 1.46 0.03 -0.09 0.00 0.06 0.00 0.00 31.60 33.05 1md7 h MET 513 CO -0.03 0.82 0.02 -0.22 1.06 0.00 0.00 176.91 178.56 1md7 h LYS 514 N -0.51 0.13 -0.47 1.72 1.63 0.14 0.59 116.57 119.81 1md7 h LYS 514 Ca -0.01 -0.01 0.10 0.00 -0.85 0.00 0.00 60.65 59.87 1md7 h LYS 514 Cb 0.85 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.43 1md7 h LYS 514 CO 0.03 0.09 0.32 -0.07 -3.45 0.00 0.00 179.45 176.37 1md7 h LEU 515 N 0.14 0.19 0.00 5.20 3.38 -1.07 -3.48 115.31 119.66 1md7 h LEU 515 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1md7 h LEU 515 Cb 0.46 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.17 1md7 h LEU 515 CO -0.47 0.12 0.00 0.61 0.09 0.00 0.00 178.44 178.79 1md7 n GLY 516 N -1.56 -0.14 3.94 0.83 0.00 0.21 -5.03 105.19 103.44 1md7 n GLY 516 Ca 0.07 -1.74 -0.24 0.00 0.00 0.00 0.00 46.02 44.11 1md7 n GLY 516 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1md7 s ASN 517 N -2.17 5.47 -0.23 1.61 4.22 -1.26 -4.71 114.94 117.86 1md7 s ASN 517 Ca 0.00 0.39 -0.05 0.00 -2.14 0.00 0.00 52.86 51.07 1md7 s ASN 517 Cb 0.00 -1.38 -0.01 0.00 1.28 0.00 0.00 41.25 41.14 1md7 s ASN 517 CO 0.00 -1.06 -0.01 -1.00 -2.04 0.00 0.00 177.10 172.99 1md7 s HIS 518 N -2.86 2.99 0.34 1.54 3.76 -0.49 -4.97 115.29 115.60 1md7 s HIS 518 Ca 0.54 -0.79 -0.29 0.00 -0.15 0.00 0.00 55.06 54.38 1md7 s HIS 518 Cb -0.10 -2.14 -0.12 0.00 1.11 0.00 0.00 32.58 31.33 1md7 s HIS 518 CO 0.42 -0.49 1.44 -2.30 -0.85 0.00 0.00 174.74 172.96 1md7 n PRO 519 N 4.80 2.46 -3.76 8.40 -0.02 -1.26 -4.51 135.00 141.11 1md7 n PRO 519 Ca -0.18 0.87 -0.36 0.00 -2.02 0.00 0.00 63.50 61.81 1md7 n PRO 519 Cb 0.51 -2.56 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 1md7 n PRO 519 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1md7 s ILE 520 N -0.82 5.42 -0.11 4.25 1.09 -1.26 -0.68 121.20 129.08 1md7 s ILE 520 Ca 0.57 0.27 -0.07 0.00 -1.10 0.00 0.00 60.65 60.32 1md7 s ILE 520 Cb -0.52 -3.47 -0.06 0.00 -1.06 0.00 0.00 42.46 37.35 1md7 s ILE 520 CO 0.59 0.52 0.14 -0.09 -0.10 0.00 0.00 174.94 176.00 1md7 h ARG 521 N 5.85 0.00 -4.36 2.79 2.43 0.04 -3.44 114.38 117.69 1md7 h ARG 521 Ca -0.48 0.00 -0.19 0.00 -0.81 0.00 0.00 59.98 58.50 1md7 h ARG 521 Cb 1.19 0.00 -0.14 0.00 -0.42 0.00 0.00 29.97 30.60 1md7 h ARG 521 CO 0.68 0.22 -0.53 -0.98 -1.51 0.00 0.00 179.97 177.85 1md7 s ARG 522 N -1.77 1.19 -0.15 0.20 1.70 -1.22 -5.02 118.95 113.88 1md7 s ARG 522 Ca -0.06 -1.50 -0.02 0.00 -0.47 0.00 0.00 55.73 53.68 1md7 s ARG 522 Cb -0.00 0.30 0.05 0.00 -0.57 0.00 0.00 34.95 34.73 1md7 s ARG 522 CO 0.17 -0.40 0.02 0.08 -1.08 0.00 0.00 175.30 174.09 1md7 s VAL 523 N -4.10 0.51 -0.27 4.99 1.01 -1.26 -2.01 120.40 119.27 1md7 s VAL 523 Ca 0.32 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.88 1md7 s VAL 523 Cb 0.06 -0.87 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1md7 s VAL 523 CO 0.08 -0.02 0.14 -0.55 0.00 0.00 0.00 175.10 174.76 1md7 s SER 524 N 1.88 5.63 -0.09 3.32 0.15 -0.55 -5.00 113.70 119.04 1md7 s SER 524 Ca 0.01 -0.13 -0.00 0.00 0.70 0.00 0.00 55.95 56.53 1md7 s SER 524 Cb -0.15 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 62.10 1md7 s SER 524 CO -0.07 -0.06 -0.07 -0.69 1.20 0.00 0.00 173.24 173.55 1md7 s VAL 525 N 1.69 3.69 0.14 4.45 1.01 -1.26 -0.57 120.40 129.55 1md7 s VAL 525 Ca 0.07 -0.47 -0.34 0.00 0.00 0.00 0.00 61.98 61.24 1md7 s VAL 525 Cb -0.16 -2.53 -0.16 0.00 0.00 0.00 0.00 36.38 33.53 1md7 s VAL 525 CO 0.08 0.57 1.25 1.57 0.00 0.00 0.00 175.10 178.57 1md7 n HIS 526 N 2.57 1.44 0.26 5.22 -0.00 -0.80 -4.83 115.22 119.08 1md7 n HIS 526 Ca -0.18 0.64 0.09 0.00 0.46 0.00 0.00 57.72 58.73 1md7 n HIS 526 Cb 0.53 -2.31 0.43 0.00 -0.12 0.00 0.00 29.99 28.51 1md7 n HIS 526 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1md7 n PRO 527 N 2.10 0.12 0.09 1.57 -0.04 -1.26 -2.66 135.00 134.92 1md7 n PRO 527 Ca 0.16 0.49 -0.13 0.00 -0.04 0.00 0.00 63.50 63.99 1md7 n PRO 527 Cb 0.23 -1.80 -0.13 0.00 -0.04 0.00 0.00 33.50 31.76 1md7 n PRO 527 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1md7 h ASP 528 N 0.00 0.28 -3.07 3.54 3.32 -1.88 -3.46 116.42 115.15 1md7 h ASP 528 Ca 0.00 -0.30 -0.58 0.00 0.02 0.00 0.00 57.03 56.17 1md7 h ASP 528 Cb 0.16 -0.09 0.16 0.00 0.22 0.00 0.00 39.33 39.78 1md7 h ASP 528 CO 0.00 1.23 -0.21 0.00 -1.72 0.00 0.00 179.24 178.54 1md7 n TYR 529 N -3.47 -0.13 -3.96 4.55 9.36 -1.09 -4.83 117.16 117.60 1md7 n TYR 529 Ca -0.06 0.46 -0.19 0.00 3.32 0.00 0.00 57.90 61.44 1md7 n TYR 529 Cb 1.00 -2.03 -0.16 0.00 -0.63 0.00 0.00 39.34 37.51 1md7 n TYR 529 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 1md7 s ARG 530 N -2.21 0.46 0.08 2.98 1.81 -1.26 -5.04 118.95 115.77 1md7 s ARG 530 Ca 0.70 0.05 -0.04 0.00 -1.72 0.00 0.00 55.73 54.72 1md7 s ARG 530 Cb -0.46 -0.64 -0.26 0.00 -0.45 0.00 0.00 34.95 33.14 1md7 s ARG 530 CO 0.53 -0.15 1.16 1.96 -0.68 0.00 0.00 175.30 178.12 1md7 h GLN 531 N 7.44 0.27 0.00 3.54 4.20 -2.01 -3.26 115.11 125.29 1md7 h GLN 531 Ca -0.37 -0.44 -0.02 0.00 0.06 0.00 0.00 58.65 57.88 1md7 h GLN 531 Cb 1.14 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 29.07 1md7 h GLN 531 CO 0.43 1.20 -0.11 -0.44 -0.67 0.00 0.00 178.83 179.24 1md7 h ASP 532 N 0.08 0.00 -3.48 1.46 3.32 -2.03 -3.43 116.42 112.34 1md7 h ASP 532 Ca -0.12 0.00 -0.52 0.00 0.02 0.00 0.00 57.03 56.41 1md7 h ASP 532 Cb 1.92 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.49 1md7 h ASP 532 CO 0.20 0.11 0.53 -0.70 -1.72 0.00 0.00 179.24 177.66 1md7 s GLU 533 N -3.32 4.52 0.10 3.56 2.56 -1.23 -4.93 118.70 119.97 1md7 s GLU 533 Ca 0.05 1.82 0.24 0.00 0.00 0.00 0.00 54.97 57.08 1md7 s GLU 533 Cb 0.07 -3.26 0.41 0.00 2.00 0.00 0.00 34.13 33.35 1md7 s GLU 533 CO 0.65 -0.06 1.37 0.43 -0.56 0.00 0.00 175.26 177.10 1md7 n SER 534 N 2.59 0.66 -3.74 -1.70 7.64 -1.26 -4.66 113.62 113.15 1md7 n SER 534 Ca 0.04 0.10 -0.30 0.00 1.01 0.00 0.00 58.87 59.73 1md7 n SER 534 Cb 0.45 0.11 -0.15 0.00 -1.01 0.00 0.00 64.21 63.62 1md7 n SER 534 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1md7 s TYR 535 N -3.14 1.85 -0.51 1.43 1.51 -1.26 -5.08 117.35 112.15 1md7 s TYR 535 Ca 0.07 -1.91 -0.16 0.00 -1.01 0.00 0.00 57.07 54.06 1md7 s TYR 535 Cb 0.14 -1.80 0.10 0.00 -0.11 0.00 0.00 41.96 40.29 1md7 s TYR 535 CO 0.71 -0.87 0.48 -0.80 -1.11 0.00 0.00 175.55 173.96 1md7 s ASN 536 N 1.38 6.17 -0.19 2.29 0.01 -1.26 -4.84 114.94 118.51 1md7 s ASN 536 Ca 0.11 -1.50 0.16 0.00 -0.71 0.00 0.00 52.86 50.92 1md7 s ASN 536 Cb -0.18 -2.21 0.77 0.00 0.41 0.00 0.00 41.25 40.04 1md7 s ASN 536 CO -0.20 -0.79 1.69 0.49 -1.51 0.00 0.00 177.10 176.78 1md7 n PHE 537 N 5.38 1.82 -3.67 2.20 0.99 -1.26 -4.79 117.46 118.13 1md7 n PHE 537 Ca -0.12 -0.70 -0.09 0.00 -0.00 0.00 0.00 57.45 56.53 1md7 n PHE 537 Cb 0.42 -0.41 -0.09 0.00 -1.00 0.00 0.00 39.48 38.40 1md7 n PHE 537 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.76 174.93 1md7 s GLU 538 N -2.47 0.54 -0.10 -1.08 -1.05 -1.26 -4.63 118.70 108.66 1md7 s GLU 538 Ca 0.53 0.97 0.00 0.00 -0.15 0.00 0.00 54.97 56.31 1md7 s GLU 538 Cb 0.38 0.07 0.00 0.00 -0.44 0.00 0.00 34.13 34.14 1md7 s GLU 538 CO 0.18 -0.15 0.00 0.41 0.95 0.00 0.00 175.26 176.65 1md7 n GLY 539 N 4.18 0.39 2.53 -3.83 0.00 -1.26 -4.05 105.19 103.15 1md7 n GLY 539 Ca -0.21 -0.94 -0.40 0.00 0.00 0.00 0.00 46.02 44.46 1md7 n GLY 539 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1md7 n ASP 540 N 1.82 7.71 -3.89 1.61 2.03 -1.26 -3.43 116.55 121.14 1md7 n ASP 540 Ca -0.01 -3.14 -0.11 0.00 0.52 0.00 0.00 54.79 52.05 1md7 n ASP 540 Cb 0.29 -1.37 -0.12 0.00 -0.72 0.00 0.00 41.12 39.20 1md7 n ASP 540 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1md7 s ILE 541 N -1.01 0.06 0.06 5.18 2.07 -1.26 -3.23 121.20 123.07 1md7 s ILE 541 Ca 0.52 -0.48 -0.16 0.00 -1.41 0.00 0.00 60.65 59.12 1md7 s ILE 541 Cb 0.17 -0.25 0.03 0.00 0.13 0.00 0.00 42.46 42.54 1md7 s ILE 541 CO -0.08 -0.27 0.36 0.00 -1.91 0.00 0.00 174.94 173.04 1md7 s ALA 542 N -0.84 -0.83 -0.08 1.50 0.00 0.44 -1.91 121.76 120.04 1md7 s ALA 542 Ca -0.09 0.08 0.04 0.00 0.00 0.00 0.00 51.96 51.99 1md7 s ALA 542 Cb -0.06 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.47 1md7 s ALA 542 CO 0.00 -0.48 -0.20 -0.51 0.00 0.00 0.00 175.76 174.57 1md7 s LEU 543 N -2.21 1.96 -0.12 0.00 1.43 0.26 -1.29 118.68 118.70 1md7 s LEU 543 Ca -0.03 -0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 1md7 s LEU 543 Cb -0.00 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.97 1md7 s LEU 543 CO -0.05 0.13 -0.03 -0.76 0.23 0.00 0.00 176.35 175.87 1md7 s LEU 544 N 0.36 3.32 -0.44 1.79 1.43 -0.60 -1.49 118.68 123.05 1md7 s LEU 544 Ca -0.15 -0.04 -0.13 0.00 -1.03 0.00 0.00 54.13 52.78 1md7 s LEU 544 Cb -0.17 -1.77 0.06 0.00 0.03 0.00 0.00 46.19 44.35 1md7 s LEU 544 CO 0.07 0.26 0.32 -0.70 0.23 0.00 0.00 176.35 176.53 1md7 s GLU 545 N -0.20 2.84 0.85 1.70 2.12 -0.85 -1.00 118.70 124.15 1md7 s GLU 545 Ca 0.04 -1.31 -0.12 0.00 0.36 0.00 0.00 54.97 53.93 1md7 s GLU 545 Cb -0.13 -3.95 0.10 0.00 0.26 0.00 0.00 34.13 30.41 1md7 s GLU 545 CO 0.02 -0.93 1.11 1.28 -0.54 0.00 0.00 175.26 176.20 1md7 n LEU 546 N 5.08 3.64 0.16 2.70 4.77 -0.81 0.66 117.00 133.20 1md7 n LEU 546 Ca -0.11 0.52 0.12 0.00 -0.03 0.00 0.00 56.01 56.50 1md7 n LEU 546 Cb 0.44 -1.47 0.12 0.00 -2.33 0.00 0.00 43.42 40.18 1md7 n LEU 546 CO 0.42 -2.02 0.47 -0.08 -1.33 0.00 0.00 177.39 174.86 1md7 h GLU 547 N -1.24 0.00 -3.06 3.23 4.57 -1.19 -3.38 114.58 113.50 1md7 h GLU 547 Ca -0.45 0.00 -0.21 0.00 -1.18 0.00 0.00 59.36 57.52 1md7 h GLU 547 Cb 1.29 0.00 -0.30 0.00 -0.16 0.00 0.00 28.75 29.58 1md7 h GLU 547 CO 0.43 0.00 -0.51 -0.80 -1.18 0.00 0.00 179.01 176.95 1md7 s ASN 548 N -5.64 -0.21 1.03 1.04 0.01 -1.26 -4.98 114.94 104.94 1md7 s ASN 548 Ca 0.04 0.48 -0.15 0.00 -0.71 0.00 0.00 52.86 52.52 1md7 s ASN 548 Cb 0.08 0.37 0.08 0.00 0.41 0.00 0.00 41.25 42.19 1md7 s ASN 548 CO 0.72 -0.17 0.29 -1.54 -1.51 0.00 0.00 177.10 174.89 1md7 n SER 549 N 4.27 -2.12 -4.86 -1.22 3.41 -1.26 -4.96 113.62 106.88 1md7 n SER 549 Ca -0.25 0.12 -0.21 0.00 -0.26 0.00 0.00 58.87 58.27 1md7 n SER 549 Cb 0.53 -1.11 0.08 0.00 -0.26 0.00 0.00 64.21 63.45 1md7 n SER 549 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1md7 s VAL 550 N -2.34 2.16 -0.77 -3.33 -7.23 -1.12 -5.03 120.40 102.74 1md7 s VAL 550 Ca 0.57 -0.81 -0.10 0.00 -1.81 0.00 0.00 61.98 59.83 1md7 s VAL 550 Cb -0.17 -2.35 0.20 0.00 0.56 0.00 0.00 36.38 34.62 1md7 s VAL 550 CO 0.67 0.00 0.67 -0.89 -0.31 0.00 0.00 175.10 175.24 1md7 s THR 551 N -2.88 5.01 -0.28 5.32 2.01 -1.26 -5.03 115.64 118.52 1md7 s THR 551 Ca 0.64 -2.67 -0.33 0.00 0.31 0.00 0.00 61.69 59.64 1md7 s THR 551 Cb -0.06 -4.13 -0.10 0.00 0.01 0.00 0.00 72.50 68.22 1md7 s THR 551 CO 0.41 -0.99 2.15 0.18 -0.69 0.00 0.00 174.62 175.69 1md7 n LEU 552 N 3.77 2.59 0.00 4.42 4.77 -1.26 -4.87 117.00 126.42 1md7 n LEU 552 Ca 0.12 0.45 -0.04 0.00 -0.03 0.00 0.00 56.01 56.51 1md7 n LEU 552 Cb 0.44 -1.35 -0.01 0.00 -2.33 0.00 0.00 43.42 40.17 1md7 n LEU 552 CO 0.33 -0.63 -0.03 0.61 -1.33 0.00 0.00 177.39 176.34 1md7 n GLY 553 N 6.01 4.11 0.10 -0.72 0.00 -1.07 -4.97 105.19 108.66 1md7 n GLY 553 Ca 0.36 -2.22 0.12 0.00 0.00 0.00 0.00 46.02 44.27 1md7 n GLY 553 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1md7 n PRO 554 N -0.17 0.17 0.00 1.61 -0.04 -1.26 -2.87 135.00 132.45 1md7 n PRO 554 Ca -0.03 0.33 0.11 0.00 -0.04 0.00 0.00 63.50 63.87 1md7 n PRO 554 Cb 0.09 -1.78 -0.11 0.00 -0.04 0.00 0.00 33.50 31.66 1md7 n PRO 554 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1md7 n ASN 555 N -2.10 0.48 -3.77 3.54 3.02 -1.26 -4.54 115.26 110.63 1md7 n ASN 555 Ca 0.03 -0.35 -0.30 0.00 -0.03 0.00 0.00 54.58 53.94 1md7 n ASN 555 Cb 0.27 1.37 -0.15 0.00 -0.61 0.00 0.00 39.78 40.66 1md7 n ASN 555 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1md7 s LEU 556 N -3.94 2.27 0.05 3.41 0.20 -1.14 -4.40 118.68 115.13 1md7 s LEU 556 Ca -0.00 -1.50 -0.08 0.00 0.69 0.00 0.00 54.13 53.24 1md7 s LEU 556 Cb 0.15 -0.90 -0.00 0.00 -0.43 0.00 0.00 46.19 45.00 1md7 s LEU 556 CO 0.87 -0.38 0.17 -0.76 -0.29 0.00 0.00 176.35 175.96 1md7 s LEU 557 N 1.59 1.50 0.92 -0.68 1.02 -0.75 -2.59 118.68 119.69 1md7 s LEU 557 Ca 0.07 -0.50 -0.11 0.00 0.02 0.00 0.00 54.13 53.61 1md7 s LEU 557 Cb -0.17 0.89 0.15 0.00 0.02 0.00 0.00 46.19 47.08 1md7 s LEU 557 CO -0.20 -0.60 1.11 -2.84 0.02 0.00 0.00 176.35 173.85 1md7 s PRO 558 N -3.00 0.98 0.20 1.29 0.02 -1.26 -2.26 135.00 130.98 1md7 s PRO 558 Ca -0.02 1.29 0.11 0.00 0.02 0.00 0.00 61.00 62.40 1md7 s PRO 558 Cb 0.01 -1.74 -0.04 0.00 0.02 0.00 0.00 34.50 32.74 1md7 s PRO 558 CO -0.06 -2.57 -0.21 -1.50 -0.33 0.00 0.00 177.00 172.32 1md7 s ILE 559 N -2.70 2.21 0.47 2.83 2.07 -1.16 -0.59 121.20 124.33 1md7 s ILE 559 Ca 0.66 -2.08 0.00 0.00 -1.41 0.00 0.00 60.65 57.82 1md7 s ILE 559 Cb -0.21 -2.08 0.00 0.00 0.13 0.00 0.00 42.46 40.30 1md7 s ILE 559 CO 0.58 -0.25 0.69 0.00 -1.91 0.00 0.00 174.94 174.06 1md7 s LEU 561 N -4.60 3.90 0.63 0.00 1.43 -1.26 -1.31 118.68 117.46 1md7 s LEU 561 Ca 0.50 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.51 1md7 s LEU 561 Cb -0.10 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 1md7 s LEU 561 CO 0.38 0.15 1.04 -2.16 0.23 0.00 0.00 176.35 175.99 1md7 s PRO 562 N -2.53 3.51 0.00 1.29 0.04 -1.26 -4.90 135.00 131.16 1md7 s PRO 562 Ca 0.30 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.08 1md7 s PRO 562 Cb -0.12 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1md7 s PRO 562 CO 0.23 -0.63 0.00 -0.40 0.04 0.00 0.00 177.00 176.24 1md7 n ASP 563 N -2.79 0.00 -4.60 6.66 5.68 -1.26 -4.82 116.55 115.43 1md7 n ASP 563 Ca 0.06 0.00 -0.38 0.00 -0.50 0.00 0.00 54.79 53.97 1md7 n ASP 563 Cb 0.54 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.42 1md7 n ASP 563 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1md7 s ASN 564 N 0.00 6.08 0.65 -1.12 3.84 -1.26 -4.94 114.94 118.18 1md7 s ASN 564 Ca 0.00 0.06 0.32 0.00 0.21 0.00 0.00 52.86 53.45 1md7 s ASN 564 Cb 0.00 -2.14 1.75 0.00 -0.55 0.00 0.00 41.25 40.31 1md7 s ASN 564 CO 0.00 -0.08 2.02 0.44 -2.79 0.00 0.00 177.10 176.69 1md7 h ASP 565 N 8.29 0.00 0.00 -4.21 3.32 -2.01 -0.64 116.42 121.17 1md7 h ASP 565 Ca -0.34 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1md7 h ASP 565 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.73 1md7 h ASP 565 CO 0.57 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.44 1md7 n THR 566 N -3.13 0.00 0.51 0.35 -2.24 -1.26 -3.13 114.28 105.38 1md7 n THR 566 Ca -0.01 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 1md7 n THR 566 Cb 0.35 -0.19 0.16 0.00 -2.10 0.00 0.00 70.33 68.56 1md7 n THR 566 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1md7 h PHE 567 N 0.02 0.00 -1.94 4.78 -1.00 -1.53 -3.35 116.94 113.92 1md7 h PHE 567 Ca 0.00 0.00 -0.73 0.00 2.81 0.00 0.00 57.97 60.05 1md7 h PHE 567 Cb 0.17 0.00 -0.31 0.00 3.61 0.00 0.00 35.95 39.42 1md7 h PHE 567 CO 0.00 0.00 0.57 0.66 -1.61 0.00 0.00 178.31 177.93 1md7 n TYR 568 N -2.21 3.11 -4.24 -0.55 4.02 -1.18 -5.00 117.16 111.11 1md7 n TYR 568 Ca 0.03 -2.61 -0.35 0.00 -0.01 0.00 0.00 57.90 54.96 1md7 n TYR 568 Cb 0.45 -0.91 -0.09 0.00 -0.02 0.00 0.00 39.34 38.78 1md7 n TYR 568 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1md7 s ASP 569 N -1.79 5.46 0.28 7.72 -0.00 -1.26 -5.07 116.67 122.01 1md7 s ASP 569 Ca 0.49 0.17 -0.26 0.00 -0.00 0.00 0.00 52.55 52.95 1md7 s ASP 569 Cb 0.39 -1.67 -0.16 0.00 -0.00 0.00 0.00 42.92 41.48 1md7 s ASP 569 CO -0.32 0.33 0.47 0.18 -0.00 0.00 0.00 175.17 175.84 1md7 n LEU 570 N 2.45 -1.21 0.00 1.23 4.77 -1.26 -1.33 117.00 121.64 1md7 n LEU 570 Ca -0.18 1.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.83 1md7 n LEU 570 Cb 0.54 -0.98 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1md7 n LEU 570 CO 0.30 -3.11 0.00 0.61 -1.33 0.00 0.00 177.39 173.86 1md7 n GLY 571 N 1.98 2.52 3.64 -0.72 0.00 -0.46 -4.91 105.19 107.25 1md7 n GLY 571 Ca 0.15 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.69 1md7 n GLY 571 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1md7 n LEU 572 N 0.00 2.64 -4.58 0.99 7.94 -0.44 -4.40 117.00 119.14 1md7 n LEU 572 Ca 0.00 1.09 -0.39 0.00 -1.11 0.00 0.00 56.01 55.60 1md7 n LEU 572 Cb 0.00 -1.35 -0.09 0.00 0.53 0.00 0.00 43.42 42.50 1md7 n LEU 572 CO 0.00 -0.52 0.02 -0.04 -1.11 0.00 0.00 177.39 175.74 1md7 s MET 573 N 0.77 3.87 0.47 1.96 -1.94 -1.26 -0.80 119.30 122.38 1md7 s MET 573 Ca 0.80 -0.15 0.02 0.00 -1.71 0.00 0.00 55.69 54.66 1md7 s MET 573 Cb -0.76 -3.70 -0.02 0.00 2.01 0.00 0.00 34.83 32.35 1md7 s MET 573 CO 0.41 -0.34 0.04 0.20 -0.01 0.00 0.00 175.02 175.32 1md7 s GLY 574 N 1.69 2.87 0.07 -0.03 0.00 -0.54 -4.69 107.32 106.68 1md7 s GLY 574 Ca 0.13 -0.74 0.09 0.00 0.00 0.00 0.00 44.72 44.20 1md7 s GLY 574 CO 0.11 -2.08 -0.23 -0.19 0.00 0.00 0.00 173.10 170.70 1md7 s TYR 575 N -2.98 2.04 -0.02 1.90 1.51 0.41 -1.87 117.35 118.35 1md7 s TYR 575 Ca 0.13 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.84 1md7 s TYR 575 Cb 0.02 -1.18 -0.01 0.00 -0.11 0.00 0.00 41.96 40.68 1md7 s TYR 575 CO 0.07 0.16 -0.17 0.08 -1.11 0.00 0.00 175.55 174.58 1md7 s VAL 576 N -0.90 1.33 0.10 0.71 1.01 0.12 -1.21 120.40 121.56 1md7 s VAL 576 Ca 0.10 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.40 1md7 s VAL 576 Cb -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1md7 s VAL 576 CO 0.03 0.38 -0.10 -0.94 0.00 0.00 0.00 175.10 174.47 1md7 s SER 577 N -0.35 1.48 0.00 3.32 1.04 -1.26 0.70 113.70 118.63 1md7 s SER 577 Ca 0.05 -0.83 0.00 0.00 0.48 0.00 0.00 55.95 55.65 1md7 s SER 577 Cb -0.07 0.01 0.00 0.00 0.10 0.00 0.00 66.02 66.06 1md7 s SER 577 CO -0.00 -0.27 0.00 0.61 0.98 0.00 0.00 173.24 174.56 1md7 n GLY 578 N 0.49 0.80 3.75 7.32 0.00 0.10 -4.29 105.19 113.35 1md7 n GLY 578 Ca -0.16 -0.96 -0.36 0.00 0.00 0.00 0.00 46.02 44.54 1md7 n GLY 578 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1md7 s PHE 579 N -2.00 3.47 0.00 1.61 0.40 -1.26 -0.75 117.98 119.45 1md7 s PHE 579 Ca 0.00 0.53 0.00 0.00 -0.60 0.00 0.00 56.93 56.86 1md7 s PHE 579 Cb 0.00 -2.25 0.00 0.00 0.51 0.00 0.00 43.02 41.28 1md7 s PHE 579 CO 0.00 0.32 0.00 0.41 0.70 0.00 0.00 175.22 176.65 1md7 n GLY 580 N 3.21 1.59 0.00 4.36 0.00 -1.26 -4.85 105.19 108.25 1md7 n GLY 580 Ca -0.14 0.25 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1md7 n GLY 580 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1md7 n ALA 587 N 7.54 0.00 -0.01 4.61 0.00 -1.26 -5.05 120.51 126.33 1md7 n ALA 587 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 1md7 n ALA 587 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1md7 n ALA 587 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1md7 n HIS 588 N 0.00 0.00 -3.72 0.00 -0.00 -1.26 -4.91 115.22 105.33 1md7 n HIS 588 Ca 0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.35 1md7 n HIS 588 Cb 0.00 -0.08 -0.12 0.00 -0.00 0.00 0.00 29.99 29.79 1md7 n HIS 588 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1md7 s ASP 589 N -5.11 5.39 -0.16 0.41 1.11 -1.26 -2.38 116.67 114.67 1md7 s ASP 589 Ca -0.03 -0.14 -0.40 0.00 0.18 0.00 0.00 52.55 52.16 1md7 s ASP 589 Cb 0.01 -1.98 -0.17 0.00 1.07 0.00 0.00 42.92 41.85 1md7 s ASP 589 CO 0.04 -0.03 1.52 -0.11 1.18 0.00 0.00 175.17 177.77 1md7 n LEU 590 N 4.91 1.75 -4.84 1.23 7.94 -0.53 -4.75 117.00 122.71 1md7 n LEU 590 Ca -0.16 1.11 -0.29 0.00 -1.11 0.00 0.00 56.01 55.56 1md7 n LEU 590 Cb 0.52 -1.10 -0.04 0.00 0.53 0.00 0.00 43.42 43.33 1md7 n LEU 590 CO 0.32 -0.84 -0.09 -0.13 -1.11 0.00 0.00 177.39 175.54 1md7 s ARG 591 N 2.10 2.23 0.23 1.96 0.52 0.07 -1.88 118.95 124.18 1md7 s ARG 591 Ca 0.94 -2.18 -0.16 0.00 -0.52 0.00 0.00 55.73 53.81 1md7 s ARG 591 Cb -1.11 -1.85 0.01 0.00 0.52 0.00 0.00 34.95 32.53 1md7 s ARG 591 CO 0.61 -0.49 0.53 -0.59 0.02 0.00 0.00 175.30 175.37 1md7 s PHE 592 N -2.81 0.08 0.01 -0.53 -0.12 -0.68 -0.73 117.98 113.20 1md7 s PHE 592 Ca 0.22 -0.46 -0.04 0.00 -0.05 0.00 0.00 56.93 56.60 1md7 s PHE 592 Cb -0.00 0.35 -0.01 0.00 -0.63 0.00 0.00 43.02 42.73 1md7 s PHE 592 CO 0.13 -1.00 0.06 0.08 -0.05 0.00 0.00 175.22 174.44 1md7 s VAL 593 N -3.94 0.09 -0.58 -2.49 1.01 0.22 -2.58 120.40 112.12 1md7 s VAL 593 Ca 0.15 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.38 1md7 s VAL 593 Cb -0.02 -0.33 0.15 0.00 0.00 0.00 0.00 36.38 36.18 1md7 s VAL 593 CO 0.04 -0.40 0.38 -0.60 0.00 0.00 0.00 175.10 174.51 1md7 s ARG 594 N -1.30 2.39 0.18 2.72 3.52 -1.20 -0.71 118.95 124.56 1md7 s ARG 594 Ca -0.14 -2.42 0.08 0.00 -0.13 0.00 0.00 55.73 53.12 1md7 s ARG 594 Cb -0.08 -3.65 -0.04 0.00 -1.56 0.00 0.00 34.95 29.62 1md7 s ARG 594 CO 0.00 -1.15 -0.04 -0.48 -0.81 0.00 0.00 175.30 172.82 1md7 s LEU 595 N 0.11 3.15 0.26 -0.88 2.34 -0.78 -4.14 118.68 118.74 1md7 s LEU 595 Ca 0.16 -0.49 -0.06 0.00 0.06 0.00 0.00 54.13 53.80 1md7 s LEU 595 Cb -0.21 -1.82 -0.06 0.00 -0.56 0.00 0.00 46.19 43.54 1md7 s LEU 595 CO -0.03 0.09 0.53 -2.16 -1.06 0.00 0.00 176.35 173.72 1md7 s PRO 596 N -2.91 3.67 -0.04 1.48 0.04 -1.26 -1.47 135.00 134.52 1md7 s PRO 596 Ca 0.26 0.05 -0.30 0.00 0.04 0.00 0.00 61.00 61.06 1md7 s PRO 596 Cb -0.09 -2.67 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 1md7 s PRO 596 CO 0.17 0.27 1.27 0.08 0.04 0.00 0.00 177.00 178.83 1md7 s VAL 597 N -1.96 4.07 0.41 -0.36 1.01 0.02 -0.85 120.40 122.74 1md7 s VAL 597 Ca 0.44 1.42 0.05 0.00 0.00 0.00 0.00 61.98 63.89 1md7 s VAL 597 Cb -0.11 -3.91 0.07 0.00 0.00 0.00 0.00 36.38 32.43 1md7 s VAL 597 CO 0.27 -0.00 0.57 0.00 0.00 0.00 0.00 175.10 175.94 1md7 n ALA 598 N 5.24 0.65 -2.31 5.51 0.00 -1.16 -1.35 120.51 127.09 1md7 n ALA 598 Ca 0.12 -1.38 -0.39 0.00 0.00 0.00 0.00 53.44 51.78 1md7 n ALA 598 Cb 0.45 0.34 -0.06 0.00 0.00 0.00 0.00 19.45 20.19 1md7 n ALA 598 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1md7 s ASN 599 N -3.49 7.12 0.53 0.00 2.47 -1.26 -4.55 114.94 115.76 1md7 s ASN 599 Ca 0.42 1.34 0.16 0.00 0.42 0.00 0.00 52.86 55.19 1md7 s ASN 599 Cb -0.03 -2.41 0.86 0.00 -1.45 0.00 0.00 41.25 38.22 1md7 s ASN 599 CO 0.27 0.15 1.43 1.55 -3.72 0.00 0.00 177.10 176.78 1md7 h PRO 600 N 5.08 0.00 -0.31 0.43 0.13 -1.96 0.15 132.00 135.53 1md7 h PRO 600 Ca -0.47 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 1md7 h PRO 600 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1md7 h PRO 600 CO 0.67 0.00 -0.52 1.96 -0.23 0.00 0.00 178.00 179.88 1md7 h GLN 601 N 0.00 0.89 -1.09 0.86 4.20 -1.99 -3.20 115.11 114.78 1md7 h GLN 601 Ca 0.00 -0.55 0.30 0.00 0.06 0.00 0.00 58.65 58.46 1md7 h GLN 601 Cb 1.01 0.06 -0.11 0.00 0.30 0.00 0.00 27.48 28.74 1md7 h GLN 601 CO 0.00 1.19 0.69 0.00 -0.67 0.00 0.00 178.83 180.04 1md7 h ALA 602 N 0.71 2.28 -1.66 3.87 0.00 -1.08 -2.28 119.26 121.09 1md7 h ALA 602 Ca 0.02 0.08 -0.80 0.00 0.00 0.00 0.00 54.91 54.21 1md7 h ALA 602 Cb 1.13 0.07 -0.26 0.00 0.00 0.00 0.00 17.79 18.72 1md7 h ALA 602 CO 0.12 -0.75 0.99 0.00 0.00 0.00 0.00 179.25 179.61 1md7 n GLU 604 N 1.29 1.08 0.25 0.00 0.28 -0.86 -4.43 120.64 118.26 1md7 n GLU 604 Ca 0.32 0.04 0.17 0.00 -0.16 0.00 0.00 57.16 57.54 1md7 n GLU 604 Cb 0.32 -1.40 0.81 0.00 1.43 0.00 0.00 31.44 32.60 1md7 n GLU 604 CO 0.00 0.00 0.00 -0.91 -0.16 0.00 0.00 177.13 176.06 1md7 h ASN 605 N 0.00 0.00 0.66 -1.84 2.35 -1.86 -2.30 115.58 112.60 1md7 h ASN 605 Ca -0.43 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.32 1md7 h ASN 605 Cb 1.85 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.22 1md7 h ASN 605 CO -0.01 0.00 0.00 0.79 -1.65 0.00 0.00 177.43 176.56 1md7 n TRP 606 N -2.82 0.00 0.00 1.19 8.01 -1.26 -5.26 117.44 117.31 1md7 n TRP 606 Ca -0.01 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 1md7 n TRP 606 Cb 0.18 -0.43 0.00 0.00 -2.01 0.00 0.00 31.31 29.06 1md7 n TRP 606 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.69 177.96 1md7 n LEU 607 N -1.43 0.00 -1.31 -0.99 4.32 -0.87 -5.18 117.00 111.55 1md7 n LEU 607 Ca 0.07 0.00 0.02 0.00 -0.02 0.00 0.00 56.01 56.09 1md7 n LEU 607 Cb 0.24 0.00 0.01 0.00 -1.62 0.00 0.00 43.42 42.04 1md7 n LEU 607 CO 0.20 0.00 0.12 -0.67 -1.22 0.00 0.00 177.39 175.82 1md7 n ASP 614 N 0.00 0.63 -1.06 -1.43 -0.08 -1.26 -5.16 116.55 108.19 1md7 n ASP 614 Ca 0.00 -1.98 0.00 0.00 -1.51 0.00 0.00 54.79 51.30 1md7 n ASP 614 Cb 0.00 -0.21 0.12 0.00 2.34 0.00 0.00 41.12 43.37 1md7 n ASP 614 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1md7 n VAL 615 N 0.38 1.10 1.45 5.18 0.24 -1.26 -3.61 118.33 121.81 1md7 n VAL 615 Ca 0.01 -0.50 0.01 0.00 -2.04 0.00 0.00 64.34 61.82 1md7 n VAL 615 Cb 1.03 -0.52 0.03 0.00 -1.47 0.00 0.00 33.84 32.92 1md7 n VAL 615 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 1md7 n PHE 616 N 0.15 0.12 -0.03 6.34 -0.00 -1.26 -3.28 117.46 119.50 1md7 n PHE 616 Ca 0.12 -0.05 -0.13 0.00 -0.00 0.00 0.00 57.45 57.39 1md7 n PHE 616 Cb 0.64 -0.05 -0.14 0.00 -0.00 0.00 0.00 39.48 39.93 1md7 n PHE 616 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1md7 n SER 617 N -0.18 1.20 0.00 -2.13 7.64 -1.24 -3.01 113.62 115.89 1md7 n SER 617 Ca 0.02 0.26 0.15 0.00 1.01 0.00 0.00 58.87 60.32 1md7 n SER 617 Cb 0.15 -0.17 0.86 0.00 -1.01 0.00 0.00 64.21 64.04 1md7 n SER 617 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1md7 n GLN 618 N -3.15 0.74 0.00 1.43 6.02 -1.21 -3.80 117.38 117.42 1md7 n GLN 618 Ca -0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.73 1md7 n GLN 618 Cb 1.06 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.82 1md7 n GLN 618 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1md7 n ASN 619 N -1.13 0.11 -2.17 1.08 3.02 -1.26 -5.02 115.26 109.89 1md7 n ASN 619 Ca 0.20 -0.49 -0.08 0.00 -0.03 0.00 0.00 54.58 54.17 1md7 n ASN 619 Cb 0.17 0.16 -0.01 0.00 -0.61 0.00 0.00 39.78 39.50 1md7 n ASN 619 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1md7 n MET 620 N -0.16 0.52 -3.65 3.52 0.00 -1.17 -1.85 117.12 114.33 1md7 n MET 620 Ca 0.00 -1.59 -0.15 0.00 0.00 0.00 0.00 57.70 55.96 1md7 n MET 620 Cb 0.07 1.66 -0.08 0.00 0.00 0.00 0.00 33.22 34.88 1md7 n MET 620 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 1md7 s PHE 621 N -4.13 -0.49 0.61 2.03 -0.71 -0.47 -4.53 117.98 110.29 1md7 s PHE 621 Ca 0.15 0.96 -0.04 0.00 -1.04 0.00 0.00 56.93 56.96 1md7 s PHE 621 Cb -0.01 0.24 0.03 0.00 -1.21 0.00 0.00 43.02 42.07 1md7 s PHE 621 CO 0.11 -0.44 0.90 0.00 -1.34 0.00 0.00 175.22 174.45 1md7 s ALA 623 N -3.00 -2.29 0.00 0.00 0.00 -0.62 -2.97 121.76 112.89 1md7 s ALA 623 Ca 0.56 1.77 0.00 0.00 0.00 0.00 0.00 51.96 54.29 1md7 s ALA 623 Cb -0.11 -1.79 0.00 0.00 0.00 0.00 0.00 23.12 21.23 1md7 s ALA 623 CO 0.43 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 176.44 1md7 n GLY 624 N 1.98 0.78 3.54 0.00 0.00 -0.03 -2.57 105.19 108.89 1md7 n GLY 624 Ca -0.12 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 1md7 n GLY 624 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1md7 s HIS 625 N -2.00 -0.79 -0.36 1.61 2.46 -0.26 -4.55 115.29 111.40 1md7 s HIS 625 Ca 0.00 1.78 0.02 0.00 0.47 0.00 0.00 55.06 57.33 1md7 s HIS 625 Cb 0.00 0.35 0.12 0.00 -0.13 0.00 0.00 32.58 32.92 1md7 s HIS 625 CO 0.00 -0.39 0.83 -0.35 -2.47 0.00 0.00 174.74 172.36 1md7 n PRO 626 N 3.33 0.02 -0.04 2.88 -0.04 -1.23 -0.76 135.00 139.16 1md7 n PRO 626 Ca -0.16 0.30 -0.15 0.00 -0.04 0.00 0.00 63.50 63.45 1md7 n PRO 626 Cb 0.56 -1.84 -0.13 0.00 -0.04 0.00 0.00 33.50 32.06 1md7 n PRO 626 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1md7 h SER 627 N 0.00 0.12 -1.07 3.54 0.02 -1.91 -3.36 113.55 110.88 1md7 h SER 627 Ca 0.00 -0.91 0.31 0.00 -0.84 0.00 0.00 61.79 60.35 1md7 h SER 627 Cb 0.58 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.04 1md7 h SER 627 CO 0.00 1.02 0.81 -0.07 -1.14 0.00 0.00 176.83 177.45 1md7 h LEU 628 N -0.77 0.00 0.00 5.07 -0.00 -1.27 -3.47 115.31 114.87 1md7 h LEU 628 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.85 1md7 h LEU 628 Cb 1.07 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.73 1md7 h LEU 628 CO 0.03 0.00 0.00 0.29 -0.00 0.00 0.00 178.44 178.76 1md7 n LYS 629 N -4.10 0.00 0.00 1.13 4.76 -1.26 -2.23 118.16 116.46 1md7 n LYS 629 Ca 0.23 0.00 0.05 0.00 -2.87 0.00 0.00 58.31 55.71 1md7 n LYS 629 Cb 1.17 0.00 0.24 0.00 -1.84 0.00 0.00 35.03 34.60 1md7 n LYS 629 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1md7 n GLN 630 N 12.50 0.15 0.00 1.97 1.13 -1.23 -2.57 117.38 129.33 1md7 n GLN 630 Ca 0.00 0.18 0.14 0.00 -1.94 0.00 0.00 57.00 55.38 1md7 n GLN 630 Cb 0.00 -1.50 0.58 0.00 0.11 0.00 0.00 30.24 29.43 1md7 n GLN 630 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1md7 n ASP 631 N -1.25 0.63 0.15 1.08 8.00 -0.95 -3.45 116.55 120.76 1md7 n ASP 631 Ca 0.05 -0.72 0.13 0.00 0.71 0.00 0.00 54.79 54.95 1md7 n ASP 631 Cb 0.07 -0.03 0.50 0.00 -0.02 0.00 0.00 41.12 41.64 1md7 n ASP 631 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1md7 h ALA 632 N 3.70 1.00 -1.23 2.24 0.00 -1.67 -2.90 119.26 120.40 1md7 h ALA 632 Ca 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 54.91 54.24 1md7 h ALA 632 Cb 0.38 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 17.82 1md7 h ALA 632 CO 0.00 0.00 0.12 0.00 0.00 0.00 0.00 179.25 179.37 1md7 h GLN 634 N 2.71 0.72 -6.76 0.00 5.75 -1.75 -3.45 115.11 112.32 1md7 h GLN 634 Ca 0.44 -0.39 -0.54 0.00 -0.15 0.00 0.00 58.65 58.01 1md7 h GLN 634 Cb 0.56 0.02 0.21 0.00 1.07 0.00 0.00 27.48 29.33 1md7 h GLN 634 CO 1.14 1.01 -0.49 0.41 -2.65 0.00 0.00 178.83 178.25 1md7 n GLY 635 N 0.11 -1.79 0.09 2.39 0.00 -1.26 -4.09 105.19 100.64 1md7 n GLY 635 Ca -0.02 -0.63 -0.13 0.00 0.00 0.00 0.00 46.02 45.24 1md7 n GLY 635 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1md7 n ASP 636 N -1.06 1.86 0.00 1.61 8.00 -1.26 -4.93 116.55 120.77 1md7 n ASP 636 Ca 0.08 0.49 0.00 0.00 0.71 0.00 0.00 54.79 56.07 1md7 n ASP 636 Cb 0.52 -0.87 0.00 0.00 -0.02 0.00 0.00 41.12 40.76 1md7 n ASP 636 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1md7 n ALA 637 N -3.80 0.00 -0.91 2.24 0.00 -1.26 -4.86 120.51 111.92 1md7 n ALA 637 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1md7 n ALA 637 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1md7 n ALA 637 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1md7 n GLY 638 N 0.00 0.41 0.00 0.00 0.00 0.15 -1.25 105.19 104.49 1md7 n GLY 638 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1md7 n GLY 638 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1md7 n GLY 639 N -1.59 -1.94 2.99 -0.02 0.00 -1.23 -3.09 105.19 100.30 1md7 n GLY 639 Ca 0.00 -1.42 -0.11 0.00 0.00 0.00 0.00 46.02 44.49 1md7 n GLY 639 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1md7 s VAL 640 N 0.00 0.24 -0.50 1.61 0.11 -1.26 -3.50 120.40 117.09 1md7 s VAL 640 Ca 0.00 -0.83 -0.16 0.00 -2.93 0.00 0.00 61.98 58.06 1md7 s VAL 640 Cb 0.00 -0.34 0.10 0.00 -1.53 0.00 0.00 36.38 34.61 1md7 s VAL 640 CO 0.00 -0.38 0.45 0.12 -3.33 0.00 0.00 175.10 171.96 1md7 s PHE 641 N -1.21 3.23 -0.25 1.54 5.36 -0.15 -4.39 117.98 122.10 1md7 s PHE 641 Ca -0.12 -1.06 -0.12 0.00 -0.96 0.00 0.00 56.93 54.68 1md7 s PHE 641 Cb -0.09 -3.46 -0.05 0.00 -0.34 0.00 0.00 43.02 39.09 1md7 s PHE 641 CO -0.00 -0.91 0.22 0.00 -1.46 0.00 0.00 175.22 173.06 1md7 s ALA 642 N 1.68 3.57 0.24 11.12 0.00 -0.35 -1.46 121.76 136.57 1md7 s ALA 642 Ca 0.04 -0.92 0.08 0.00 0.00 0.00 0.00 51.96 51.16 1md7 s ALA 642 Cb -0.26 -2.45 -0.04 0.00 0.00 0.00 0.00 23.12 20.36 1md7 s ALA 642 CO 0.05 -0.39 0.04 0.08 0.00 0.00 0.00 175.76 175.55 1md7 s VAL 643 N 1.45 3.74 -0.28 0.00 1.01 -0.74 -0.44 120.40 125.14 1md7 s VAL 643 Ca 0.09 -1.68 0.02 0.00 0.00 0.00 0.00 61.98 60.41 1md7 s VAL 643 Cb -0.15 -2.98 0.08 0.00 0.00 0.00 0.00 36.38 33.33 1md7 s VAL 643 CO 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 175.10 174.85 1md7 s ARG 644 N -3.54 1.60 -0.12 2.72 1.04 -1.26 -0.79 118.95 118.60 1md7 s ARG 644 Ca 0.31 -1.34 -0.33 0.00 -1.04 0.00 0.00 55.73 53.34 1md7 s ARG 644 Cb -0.07 -2.76 -0.10 0.00 -2.04 0.00 0.00 34.95 29.98 1md7 s ARG 644 CO 0.21 -0.74 2.00 -3.47 -0.04 0.00 0.00 175.30 173.25 1md7 n ASP 645 N 4.52 3.40 0.12 -2.89 -0.08 -1.26 -4.85 116.55 115.51 1md7 n ASP 645 Ca -0.07 0.76 -0.02 0.00 -1.51 0.00 0.00 54.79 53.96 1md7 n ASP 645 Cb 0.43 -1.42 0.18 0.00 2.34 0.00 0.00 41.12 42.65 1md7 n ASP 645 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1md7 h PRO 646 N 10.85 0.11 0.00 -0.67 0.11 -1.96 1.01 132.00 141.45 1md7 h PRO 646 Ca -0.45 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1md7 h PRO 646 Cb 1.27 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 1md7 h PRO 646 CO 0.96 0.64 -0.25 -0.97 -0.21 0.00 0.00 178.00 178.17 1md7 h ASN 647 N 0.08 0.00 0.00 -2.05 -0.73 -2.02 -3.28 115.58 107.58 1md7 h ASN 647 Ca -0.00 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.17 1md7 h ASN 647 Cb 1.01 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.60 1md7 h ASN 647 CO 0.08 0.25 0.00 0.35 -0.37 0.00 0.00 177.43 177.74 1md7 n THR 648 N -3.51 0.00 -4.13 -3.57 -2.24 -1.20 -5.04 114.28 94.59 1md7 n THR 648 Ca -0.00 -0.31 -0.43 0.00 -2.27 0.00 0.00 64.05 61.04 1md7 n THR 648 Cb 0.41 1.32 -0.01 0.00 -2.10 0.00 0.00 70.33 69.95 1md7 n THR 648 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1md7 n ASP 649 N -0.11 -3.00 0.00 3.42 -0.08 0.35 -4.97 116.55 112.16 1md7 n ASP 649 Ca 0.00 -1.29 0.00 0.00 -1.51 0.00 0.00 54.79 51.99 1md7 n ASP 649 Cb 0.08 -1.69 0.00 0.00 2.34 0.00 0.00 41.12 41.85 1md7 n ASP 649 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1md7 n ARG 650 N -4.95 1.39 -3.26 -0.67 1.74 -1.16 -4.87 116.66 104.87 1md7 n ARG 650 Ca -0.16 0.00 0.03 0.00 -0.77 0.00 0.00 57.85 56.95 1md7 n ARG 650 Cb 0.59 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.00 1md7 n ARG 650 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1md7 s TRP 651 N 4.37 -0.53 -0.00 -1.55 0.52 -1.17 -4.34 118.94 116.23 1md7 s TRP 651 Ca 0.00 0.77 0.08 0.00 0.02 0.00 0.00 56.10 56.97 1md7 s TRP 651 Cb 0.00 0.26 -0.02 0.00 -1.15 0.00 0.00 33.47 32.56 1md7 s TRP 651 CO 0.00 -0.28 -0.24 0.14 0.02 0.00 0.00 176.95 176.59 1md7 s VAL 652 N 2.57 1.92 -0.50 4.03 -7.23 0.03 -1.04 120.40 120.18 1md7 s VAL 652 Ca -0.01 -1.10 -0.28 0.00 -1.81 0.00 0.00 61.98 58.79 1md7 s VAL 652 Cb -0.07 -1.61 0.03 0.00 0.56 0.00 0.00 36.38 35.30 1md7 s VAL 652 CO -0.15 0.49 1.08 0.00 -0.31 0.00 0.00 175.10 176.21 1md7 s ALA 653 N -0.62 3.14 -0.48 1.32 0.00 -0.43 -1.80 121.76 122.89 1md7 s ALA 653 Ca 0.10 -0.69 0.22 0.00 0.00 0.00 0.00 51.96 51.59 1md7 s ALA 653 Cb -0.09 -3.85 -0.15 0.00 0.00 0.00 0.00 23.12 19.03 1md7 s ALA 653 CO -0.00 -2.31 0.81 0.25 0.00 0.00 0.00 175.76 174.51 1md7 n THR 654 N 6.66 0.10 -3.68 0.00 -2.24 -0.54 -4.24 114.28 110.34 1md7 n THR 654 Ca 0.09 -0.29 -0.10 0.00 -2.27 0.00 0.00 64.05 61.48 1md7 n THR 654 Cb 0.49 0.29 -0.04 0.00 -2.10 0.00 0.00 70.33 68.96 1md7 n THR 654 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1md7 s GLY 655 N -3.84 -0.18 -0.23 3.38 0.00 -1.23 -2.04 107.32 103.18 1md7 s GLY 655 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.61 1md7 s GLY 655 CO 0.85 -0.32 -0.12 -0.42 0.00 0.00 0.00 173.10 173.09 1md7 s ILE 656 N -3.83 2.01 -0.00 0.90 -1.09 -1.11 -0.98 121.20 117.10 1md7 s ILE 656 Ca 0.06 -1.37 -0.39 0.00 -2.23 0.00 0.00 60.65 56.72 1md7 s ILE 656 Cb 0.01 -2.07 -0.18 0.00 -1.58 0.00 0.00 42.46 38.64 1md7 s ILE 656 CO -0.09 0.10 1.32 0.52 -1.23 0.00 0.00 174.94 175.56 1md7 n VAL 657 N 4.53 0.03 -1.51 2.92 0.31 -1.23 -2.28 118.33 121.09 1md7 n VAL 657 Ca -0.15 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1md7 n VAL 657 Cb 0.44 -0.61 0.00 0.00 -0.91 0.00 0.00 33.84 32.77 1md7 n VAL 657 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1md7 n SER 658 N 2.58 0.11 -0.00 4.52 2.88 -1.24 -0.67 113.62 121.80 1md7 n SER 658 Ca 0.20 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1md7 n SER 658 Cb 0.14 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1md7 n SER 658 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1md7 n TRP 659 N 0.00 0.00 -0.53 0.66 4.27 -1.26 -4.72 117.44 115.86 1md7 n TRP 659 Ca 0.00 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.32 1md7 n TRP 659 Cb 0.00 -0.00 0.23 0.00 -1.36 0.00 0.00 31.31 30.18 1md7 n TRP 659 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 1md7 n GLY 660 N 0.26 -1.87 0.00 -1.67 0.00 -1.26 -5.01 105.19 95.64 1md7 n GLY 660 Ca 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 44.96 1md7 n GLY 660 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1md7 n ILE 661 N -4.81 0.00 -3.47 -0.61 2.08 -1.26 -5.09 119.36 106.20 1md7 n ILE 661 Ca 0.04 0.00 -0.17 0.00 0.56 0.00 0.00 62.75 63.18 1md7 n ILE 661 Cb 0.55 -0.40 -0.12 0.00 -0.75 0.00 0.00 39.64 38.92 1md7 n ILE 661 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 1md7 s GLY 662 N -2.35 -0.05 -1.13 7.39 0.00 -1.26 -5.05 107.32 104.87 1md7 s GLY 662 Ca 0.00 0.26 -0.22 0.00 0.00 0.00 0.00 44.72 44.76 1md7 s GLY 662 CO 0.00 2.26 1.74 0.00 0.00 0.00 0.00 173.10 177.10 1md7 h SER 664 N 9.30 0.63 0.82 0.00 0.02 -1.84 -3.28 113.55 119.20 1md7 h SER 664 Ca 0.27 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.30 1md7 h SER 664 Cb 0.95 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.28 1md7 h SER 664 CO 1.35 1.64 -0.92 -2.11 -1.14 0.00 0.00 176.83 175.65 1md7 n ARG 665 N -3.83 0.45 0.00 3.45 -4.01 -1.26 -4.75 116.66 106.70 1md7 n ARG 665 Ca -0.19 0.08 0.00 0.00 -1.04 0.00 0.00 57.85 56.70 1md7 n ARG 665 Cb 1.00 -1.73 0.00 0.00 -3.04 0.00 0.00 32.46 28.69 1md7 n ARG 665 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1md7 n GLY 666 N 1.27 1.45 3.42 2.89 0.00 -1.25 -3.54 105.19 109.42 1md7 n GLY 666 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1md7 n GLY 666 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1md7 s TYR 667 N -2.00 1.94 -0.16 1.61 1.51 -1.26 -1.10 117.35 117.88 1md7 s TYR 667 Ca 0.00 -0.67 -0.31 0.00 -1.01 0.00 0.00 57.07 55.08 1md7 s TYR 667 Cb 0.00 -1.07 0.14 0.00 -0.11 0.00 0.00 41.96 40.91 1md7 s TYR 667 CO 0.00 0.31 1.08 0.20 -1.11 0.00 0.00 175.55 176.03 1md7 s GLY 668 N -3.43 -0.25 0.04 0.71 0.00 -1.06 -4.45 107.32 98.87 1md7 s GLY 668 Ca 0.29 1.88 0.04 0.00 0.00 0.00 0.00 44.72 46.92 1md7 s GLY 668 CO 0.11 0.80 -0.05 -0.11 0.00 0.00 0.00 173.10 173.85 1md7 s PHE 669 N -1.76 2.90 0.17 1.90 -0.12 -1.26 -1.58 117.98 118.23 1md7 s PHE 669 Ca 0.04 -0.04 0.08 0.00 -0.05 0.00 0.00 56.93 56.95 1md7 s PHE 669 Cb -0.01 -1.57 -0.04 0.00 -0.63 0.00 0.00 43.02 40.77 1md7 s PHE 669 CO -0.03 0.41 -0.17 0.71 -0.05 0.00 0.00 175.22 176.09 1md7 s TYR 670 N -1.11 1.77 0.17 3.49 1.51 -0.32 -3.66 117.35 119.21 1md7 s TYR 670 Ca 0.20 -0.49 -0.25 0.00 -1.01 0.00 0.00 57.07 55.52 1md7 s TYR 670 Cb -0.11 -0.88 -0.08 0.00 -0.11 0.00 0.00 41.96 40.78 1md7 s TYR 670 CO 0.11 0.32 0.78 0.99 -1.11 0.00 0.00 175.55 176.65 1md7 s THR 671 N -2.19 4.36 -0.48 -0.71 2.01 -0.97 -1.37 115.64 116.29 1md7 s THR 671 Ca 0.16 1.71 -0.28 0.00 0.31 0.00 0.00 61.69 63.59 1md7 s THR 671 Cb -0.05 -4.14 0.00 0.00 0.01 0.00 0.00 72.50 68.33 1md7 s THR 671 CO 0.06 0.50 1.54 -0.54 -0.69 0.00 0.00 174.62 175.50 1md7 s LYS 672 N -1.20 3.30 0.14 4.92 1.02 -0.77 -2.73 119.74 124.42 1md7 s LYS 672 Ca 0.36 0.79 -0.18 0.00 0.02 0.00 0.00 55.97 56.97 1md7 s LYS 672 Cb -0.23 -4.14 -0.02 0.00 -0.52 0.00 0.00 37.83 32.92 1md7 s LYS 672 CO 0.26 -1.91 1.80 0.28 -0.92 0.00 0.00 175.35 174.86 1md7 h VAL 673 N 6.55 1.07 -1.04 3.17 2.07 -1.72 -2.96 116.25 123.39 1md7 h VAL 673 Ca -0.28 -0.14 0.27 0.00 0.82 0.00 0.00 66.70 67.36 1md7 h VAL 673 Cb 1.12 0.62 -0.09 0.00 -1.52 0.00 0.00 31.29 31.42 1md7 h VAL 673 CO 1.13 0.08 0.67 0.25 0.02 0.00 0.00 177.57 179.72 1md7 h LEU 674 N 0.42 0.43 -1.36 2.57 5.85 -1.87 1.00 115.31 122.35 1md7 h LEU 674 Ca 0.12 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.92 1md7 h LEU 674 Cb -0.04 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.00 1md7 h LEU 674 CO -0.03 0.08 0.00 0.78 -0.34 0.00 0.00 178.44 178.93 1md7 h ASN 675 N 0.38 0.00 -0.06 1.25 4.21 -1.92 -2.71 115.58 116.72 1md7 h ASN 675 Ca 0.59 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.10 1md7 h ASN 675 Cb 1.53 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.73 1md7 h ASN 675 CO -0.28 0.00 0.00 -1.22 -1.29 0.00 0.00 177.43 174.64 1md7 n TYR 676 N -2.41 0.08 0.01 1.19 4.02 0.34 -4.79 117.16 115.61 1md7 n TYR 676 Ca -0.00 -0.24 -0.10 0.00 -0.01 0.00 0.00 57.90 57.55 1md7 n TYR 676 Cb 0.13 -0.02 -0.03 0.00 -0.02 0.00 0.00 39.34 39.39 1md7 n TYR 676 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 1md7 h VAL 677 N 0.75 0.59 0.00 -0.72 2.07 -1.08 0.49 116.25 118.35 1md7 h VAL 677 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1md7 h VAL 677 Cb 0.37 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1md7 h VAL 677 CO 0.00 0.00 0.13 0.44 0.02 0.00 0.00 177.57 178.16 1md7 h ASP 678 N -0.20 0.00 0.00 0.57 3.32 -1.86 -2.00 116.42 116.24 1md7 h ASP 678 Ca 0.09 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1md7 h ASP 678 Cb 0.33 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.88 1md7 h ASP 678 CO -0.23 0.00 -0.15 -0.25 -1.72 0.00 0.00 179.24 176.90 1md7 h TRP 679 N 0.00 0.00 -0.91 4.55 7.01 -1.31 -3.21 115.95 122.08 1md7 h TRP 679 Ca 0.00 0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.13 1md7 h TRP 679 Cb 0.26 0.00 -0.14 0.00 -2.10 0.00 0.00 29.16 27.18 1md7 h TRP 679 CO 0.00 0.31 -0.44 0.82 -2.79 0.00 0.00 178.44 176.33 1md7 h ILE 680 N -1.00 0.02 -0.60 2.65 1.08 -0.48 -1.57 117.51 117.61 1md7 h ILE 680 Ca -0.02 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.47 1md7 h ILE 680 Cb 0.37 0.02 -0.04 0.00 -3.07 0.00 0.00 36.82 34.11 1md7 h ILE 680 CO -0.01 0.00 0.38 0.11 -0.69 0.00 0.00 178.15 177.94 1md7 h LYS 681 N -0.04 0.73 0.00 2.37 1.57 -1.57 -2.28 116.57 117.34 1md7 h LYS 681 Ca 0.27 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 1md7 h LYS 681 Cb 0.54 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 1md7 h LYS 681 CO -0.92 0.48 -0.07 -0.22 -0.57 0.00 0.00 179.45 178.16 1md7 h LYS 682 N 0.75 0.00 0.12 3.15 3.64 -1.30 -1.61 116.57 121.32 1md7 h LYS 682 Ca 0.23 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.35 1md7 h LYS 682 Cb -0.02 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 31.83 1md7 h LYS 682 CO -0.08 0.07 -1.09 0.93 -2.27 0.00 0.00 179.45 177.00 1md7 h GLU 683 N 0.00 0.53 0.00 1.90 4.39 -0.92 -3.22 114.58 117.26 1md7 h GLU 683 Ca -0.00 -0.73 0.00 0.00 0.34 0.00 0.00 59.36 58.97 1md7 h GLU 683 Cb 0.34 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1md7 h GLU 683 CO 0.01 1.32 0.00 -1.33 -1.16 0.00 0.00 179.01 177.85 1md7 n MET 684 N -3.91 0.16 -0.48 2.33 2.81 -0.95 -5.13 117.12 111.95 1md7 n MET 684 Ca -0.14 0.30 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1md7 n MET 684 Cb 0.92 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 1md7 n MET 684 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57